A0A077YY90_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077YY90, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 133 aa.

						>A0A077YY90_TRITR|A0A077YY90
MAYDFTISYKPTAQRGNADGLSRLPAGPDLEFDDKVDNCNRVIEDVNDSFPVQATHLAKATTKDWEFSRVWRYIQGGLPGRLESSEESLRRYYERRHMLTFLQGVILLDSNNSRVVIPQCARKYVLSRLDEGH
					

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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	50.9	Low	78.1	Confident	217 Å²	217	142 Å²	142	100%	1.069	73%	0.73	S	S	*	*				0	110.2	0	-67.1	176.1	174.8	0	0	106.6
2	A	66.6	Low	77.9	Confident	95 Å²	95	139.4 Å²	139.4	79%	0.785	73%	0.726	S	S	*	*			trans	-83.7	126.2	170.2	0	0	0	0	0	106.7
3	Y	74.4	Confident	77.8	Confident	175 Å²	175	136.5 Å²	136.5	69%	0.686	74%	0.735	S	S	*	*			trans	-83.5	121.3	176.6	-68.1	-83.2	0	0	0	108.8	F5	Y3-F5 VanDerWaalsContact CB-CZ 3.41Å; Y3-F5 HydrophobicContact CG-CE2 4.34Å; Y3-F5 AromaticContact CG-CZ 3.96Å; Y3-F5 HydrophobicContact CG-CZ 3.96Å
4	D	81.7	Confident	77.8	Confident	159 Å²	159	136.6 Å²	136.6	85%	0.85	73%	0.728	S	S	*	*			trans	-86.4	106.3	170	-70.5	-45.6	0	0	0	109.2
5	F	81.1	Confident	77.5	Confident	166 Å²	166	135.2 Å²	135.2	73%	0.728	71%	0.709	S	S	*	*			trans	-95.9	125	176.9	-60.4	-76.3	0	0	0	110.7	Y3 I7	Y3-F5 VanDerWaalsContact CB-CZ 3.41Å; Y3-F5 HydrophobicContact CG-CE2 4.34Å; Y3-F5 AromaticContact CG-CZ 3.96Å; Y3-F5 HydrophobicContact CG-CZ 3.96Å; F5-I7 HydrophobicContact CB-CG1 4.49Å
6	T	84.4	Confident	77.3	Confident	141 Å²	141	129.9 Å²	129.9	87%	0.865	70%	0.698	S	S	*	*			trans	-97.5	111	162.7	-58.6	0	0	0	0	108.6
7	I	85.2	Confident	77.3	Confident	163 Å²	163	129.3 Å²	129.3	84%	0.836	69%	0.694	S	S	*	*			trans	-94.6	117.9	179.8	-57	173.8	0	0	0	108.9	F5	F5-I7 HydrophobicContact CB-CG1 4.49Å
8	S	86.3	Confident	77.2	Confident	86 Å²	86	125.2 Å²	125.2	60%	0.601	68%	0.681	S	S	*	*			trans	-116.2	133.6	173.3	67.7	0	0	0	0	111.3
9	Y	82.6	Confident	77.2	Confident	182 Å²	182	122.5 Å²	122.5	71%	0.714	67%	0.666	S	S	*	*			trans	-74.7	131.8	172.5	175.9	-99.6	0	0	0	111	P11	Y9-P11 HydrophobicContact CE1-CG 4.13Å
10	K	82.3	Confident	77.3	Confident	120 Å²	120	117.8 Å²	117.8	52%	0.522	65%	0.647	S	S	.	*			trans	-120.2	129.2	168.1	-73.7	-165.6	177.8	-176.2	0	109.6	R15	K10-R15 HydrophobicContact CB-CG 4.37Å; K10-R15 PolarHBondContact O-NE 3.18Å
11	P	83.3	Confident	77.2	Confident	58 Å²	58	118.4 Å²	118.4	38%	0.377	65%	0.649	S	S	.	*			trans	-57	144.7	176.7	-23.6	32.6	0	0	0	112.7	Y9 A13 Q14	Y9-P11 HydrophobicContact CE1-CG 4.13Å; P11-A13 VanDerWaalsContact C-N 3.27Å; P11-A13 PolarHBondContact O-N 3.01Å; P11-Q14 PolarHBondContact O-N 3.14Å
12	T	76.2	Confident	78.3	Confident	111 Å²	111	112.5 Å²	112.5	68%	0.681	63%	0.629	S	S	*	*	G	3₁₀ helix	trans	-54	-38.6	-175.8	-51.5	0	0	0	0	113.5	Q14 R15	T12-Q14 PolarHBondContact O-N 2.96Å; T12-Q14 VanDerWaalsContact O-N 3.14Å; T12-R15 WeakPolarHBondContact O-CB 3.47Å; T12-R15 PolarHBondContact O-N 3.3Å
13	A	76.4	Confident	78.6	Confident	102 Å²	102	116.2 Å²	116.2	84%	0.843	62%	0.623	S	S	*	*	G	3₁₀ helix	trans	-61.7	-22.1	178.8	0	0	0	0	0	113.8	P11	P11-A13 VanDerWaalsContact C-N 3.27Å; P11-A13 PolarHBondContact O-N 3.01Å
14	Q	77.9	Confident	78.7	Confident	137 Å²	137	113.5 Å²	113.5	64%	0.64	62%	0.619	S	S	*	*	G	3₁₀ helix	trans	-99.3	3.9	177.9	-61.3	-177.5	8.6	0	0	113	P11 T12	P11-Q14 PolarHBondContact O-N 3.14Å; T12-Q14 PolarHBondContact O-N 2.96Å; T12-Q14 VanDerWaalsContact O-N 3.14Å
15	R	73.4	Confident	78.1	Confident	116 Å²	116	111.5 Å²	111.5	44%	0.438	62%	0.615	S	S	.	*			trans	-97.5	11.2	179.7	-71.1	177.4	151	175.7	-5	113.6	K10 T12 N17 A18 D19	K10-R15 HydrophobicContact CB-CG 4.37Å; K10-R15 PolarHBondContact O-NE 3.18Å; T12-R15 WeakPolarHBondContact O-CB 3.47Å; T12-R15 PolarHBondContact O-N 3.3Å; R15-N17 PolarHBondContact O-N 3.09Å; R15-N17 VanDerWaalsContact O-N 3.09Å; R15-A18 PolarHBondContact O-N 2.95Å; R15-D19 PolarHBondContact O-N 2.99Å
16	G	74.2	Confident	77.5	Confident	51 Å²	51	107.5 Å²	107.5	53%	0.526	61%	0.612	S	S	.	*	H	α-helix	trans	-55.3	-31.5	-175.9	0	0	0	0	0	113.7	G20	G16-G20 PolarHBondContact O-N 2.96Å
17	N	77.6	Confident	77.2	Confident	119 Å²	119	103.5 Å²	103.5	64%	0.636	60%	0.599	S	S	*	*	H	α-helix	trans	-68	-44.9	174.2	63.7	-25.2	0	0	0	113.2	R15 L21	R15-N17 PolarHBondContact O-N 3.09Å; R15-N17 VanDerWaalsContact O-N 3.09Å; N17-L21 WeakPolarHBondContact O-CB 3.33Å; N17-L21 WeakPolarHBondContact O-CG 3.41Å; N17-L21 PolarHBondContact O-N 2.94Å
18	A	75	Confident	76.8	Confident	56 Å²	56	101.3 Å²	101.3	46%	0.463	60%	0.596	S	S	.	*	H	α-helix	trans	-70.3	-41.5	179.5	0	0	0	0	0	111.4	R15 S22	R15-A18 PolarHBondContact O-N 2.95Å; A18-S22 WeakPolarHBondContact O-CB 3.48Å; A18-S22 PolarHBondContact O-N 3.31Å; A18-S22 PolarHBondContact O-OG 3.06Å
19	D	77.5	Confident	76.5	Confident	73 Å²	73	101.1 Å²	101.1	39%	0.39	59%	0.588	S	S	.	*	H	α-helix	trans	-62.8	-46.6	174.9	-171.8	78.7	0	0	0	110.4	R15 S22 R23	R15-D19 PolarHBondContact O-N 2.99Å; D19-S22 PolarHBondContact O-N 3.16Å; D19-S22 PolarHBondContact O-OG 2.83Å; D19-R23 WeakPolarHBondContact O-CB 3.21Å; D19-R23 VanDerWaalsContact O-CG 3.28Å; D19-R23 WeakPolarHBondContact O-CG 3.44Å; D19-R23 PolarHBondContact O-N 3.34Å; D19-R23 VanDerWaalsContact O-N 3.16Å; D19-R23 IonicContact OD1-CZ 3.89Å; D19-R23 VanDerWaalsContact OD1-CZ 3.31Å; D19-R23 IonicContact OD1-NE 2.91Å; D19-R23 PolarHBondContact OD1-NE 2.85Å; D19-R23 IonicContact OD1-NH2 2.85Å; D19-R23 PolarHBondContact OD1-NH2 2.87Å; D19-R23 WeakPolarHBondContact OD2-CD 3.45Å; D19-R23 IonicContact OD2-CZ 2.56Å; D19-R23 IonicContact OD2-NE 3.3Å; D19-R23 PolarHBondContact OD2-NE 2.91Å
20	G	78.5	Confident	76.3	Confident	28 Å²	28	98.3 Å²	98.3	29%	0.289	59%	0.585	S	S	.	*	H	α-helix	trans	-57.4	-51.4	175.4	0	0	0	0	0	113.1	G16 S22 R23 L24	G16-G20 PolarHBondContact O-N 2.96Å; G20-S22 VanDerWaalsContact C-N 3.33Å; G20-S22 PolarHBondContact O-N 2.83Å; G20-R23 PolarHBondContact O-N 3.19Å; G20-L24 WeakPolarHBondContact O-CB 3.28Å; G20-L24 WeakPolarHBondContact O-CG 3.46Å; G20-L24 PolarHBondContact O-N 3.39Å
21	L	76.5	Confident	76	Confident	132 Å²	132	98.7 Å²	98.7	69%	0.691	59%	0.588	S	S	*	*	H	α-helix	trans	-66	-32	-179.5	-70.2	174.4	0	0	0	113.5	N17 R23 L24	N17-L21 WeakPolarHBondContact O-CB 3.33Å; N17-L21 WeakPolarHBondContact O-CG 3.41Å; N17-L21 PolarHBondContact O-N 2.94Å; L21-R23 VanDerWaalsContact C-N 3.3Å; L21-L24 HydrophobicContact CD2-CD1 4.19Å
22	S	73.5	Confident	75.4	Confident	92 Å²	92	101.8 Å²	101.8	64%	0.643	60%	0.596	S	S	*	*	H	α-helix	trans	-72.2	-24.8	175.9	70.6	0	0	0	0	113.6	A18 D19 G20	A18-S22 WeakPolarHBondContact O-CB 3.48Å; A18-S22 PolarHBondContact O-N 3.31Å; A18-S22 PolarHBondContact O-OG 3.06Å; D19-S22 PolarHBondContact O-N 3.16Å; D19-S22 PolarHBondContact O-OG 2.83Å; G20-S22 VanDerWaalsContact C-N 3.33Å; G20-S22 PolarHBondContact O-N 2.83Å
23	R	73.4	Confident	75.1	Confident	174 Å²	174	100.5 Å²	100.5	66%	0.657	59%	0.585	S	S	*	*	H	α-helix	trans	-104.6	-17.2	-175.1	-66.5	178.7	-168.2	-81.2	-5.9	113.9	D19 G20 L21 P25	D19-R23 WeakPolarHBondContact O-CB 3.21Å; D19-R23 VanDerWaalsContact O-CG 3.28Å; D19-R23 WeakPolarHBondContact O-CG 3.44Å; D19-R23 PolarHBondContact O-N 3.34Å; D19-R23 VanDerWaalsContact O-N 3.16Å; D19-R23 IonicContact OD1-CZ 3.89Å; D19-R23 VanDerWaalsContact OD1-CZ 3.31Å; D19-R23 IonicContact OD1-NE 2.91Å; D19-R23 PolarHBondContact OD1-NE 2.85Å; D19-R23 IonicContact OD1-NH2 2.85Å; D19-R23 PolarHBondContact OD1-NH2 2.87Å; D19-R23 WeakPolarHBondContact OD2-CD 3.45Å; D19-R23 IonicContact OD2-CZ 2.56Å; D19-R23 IonicContact OD2-NE 3.3Å; D19-R23 PolarHBondContact OD2-NE 2.91Å; G20-R23 PolarHBondContact O-N 3.19Å; L21-R23 VanDerWaalsContact C-N 3.3Å; R23-P25 VanDerWaalsContact O-CD 3.28Å; R23-P25 WeakPolarHBondContact O-CD 3.28Å; R23-P25 VanDerWaalsContact O-N 3.15Å
24	L	74.8	Confident	74.8	Confident	117 Å²	117	100.8 Å²	100.8	61%	0.613	57%	0.572	S	S	*	*	S	Bend	trans	-60.8	120.5	176.9	-85.5	168.1	0	0	0	106.9	G20 L21 A26	G20-L24 WeakPolarHBondContact O-CB 3.28Å; G20-L24 WeakPolarHBondContact O-CG 3.46Å; G20-L24 PolarHBondContact O-N 3.39Å; L21-L24 HydrophobicContact CD2-CD1 4.19Å; L24-A26 VanDerWaalsContact C-N 3.26Å; L24-A26 PolarHBondContact O-N 2.8Å
25	P	70	Confident	74.1	Confident	118 Å²	118	99.1 Å²	99.1	77%	0.766	56%	0.563	S	S	*	*			trans	-64.4	97.8	170	26.7	-30.7	0	0	0	106.4	R23	R23-P25 VanDerWaalsContact O-CD 3.28Å; R23-P25 WeakPolarHBondContact O-CD 3.28Å; R23-P25 VanDerWaalsContact O-N 3.15Å
26	A	68.1	Low	73.4	Confident	81 Å²	81	96.9 Å²	96.9	67%	0.669	56%	0.562	S	S	*	*			trans	-60.6	145.4	154.3	0	0	0	0	0	106	L24	L24-A26 VanDerWaalsContact C-N 3.26Å; L24-A26 PolarHBondContact O-N 2.8Å
27	G	78.8	Confident	72.6	Confident	57 Å²	57	98.9 Å²	98.9	59%	0.588	56%	0.56	S	S	*	*	S	Bend	trans	-54.8	-179.6	169.5	0	0	0	0	0	111.4	D29	G27-D29 PolarHBondContact O-N 3.11Å
28	P	77.8	Confident	71.4	Confident	118 Å²	118	96.9 Å²	96.9	77%	0.766	55%	0.55	S	S	*	*			trans	-50.2	120.2	178	22.9	-33.5	0	0	0	110.4	L30	P28-L30 PolarHBondContact O-N 3.5Å
29	D	78.5	Confident	70.5	Confident	82 Å²	82	98.4 Å²	98.4	44%	0.439	56%	0.556	S	S	.	*			trans	-99.8	80.8	176.8	-173.5	-14	0	0	0	107.5	G27 E31 F32 D33	G27-D29 PolarHBondContact O-N 3.11Å; D29-E31 PolarHBondContact O-N 3.4Å; D29-E31 PolarHBondContact OD1-N 3.11Å; D29-F32 HydrophobicContact CB-CB 3.91Å; D29-F32 PolarHBondContact O-N 3.02Å; D29-F32 VanDerWaalsContact O-N 3.1Å; D29-F32 PolarHBondContact OD1-N 3.12Å; D29-F32 WeakPolarHBondContact OD2-CB 3.38Å; D29-D33 WeakPolarHBondContact O-CB 3.35Å; D29-D33 VanDerWaalsContact O-CG 3.28Å; D29-D33 PolarHBondContact O-N 3.1Å
30	L	77.9	Confident	69.3	Low	122 Å²	122	98.8 Å²	98.8	64%	0.639	56%	0.558	S	S	*	*	H	α-helix	trans	-57.9	-33.2	-176.1	-62.2	174.1	0	0	0	111.9	P28 D34	P28-L30 PolarHBondContact O-N 3.5Å; L30-D34 VanDerWaalsContact O-CB 3.26Å; L30-D34 WeakPolarHBondContact O-CB 3.43Å; L30-D34 PolarHBondContact O-N 2.69Å
31	E	76.5	Confident	68	Low	128 Å²	128	104.4 Å²	104.4	60%	0.598	57%	0.571	S	S	*	*	H	α-helix	trans	-71.7	-38.1	178.4	-164.5	-165.1	145.2	0	0	111.8	D29 K35	D29-E31 PolarHBondContact O-N 3.4Å; D29-E31 PolarHBondContact OD1-N 3.11Å; E31-K35 VanDerWaalsContact O-CG 3.29Å; E31-K35 WeakPolarHBondContact O-CG 3.33Å; E31-K35 PolarHBondContact O-N 2.85Å; E31-K35 WeakPolarHBondContact OE1-CE 3.43Å; E31-K35 IonicContact OE1-NZ 3.12Å; E31-K35 PolarHBondContact OE1-NZ 3.02Å
32	F	71	Confident	66.8	Low	124 Å²	124	102.6 Å²	102.6	54%	0.544	57%	0.565	S	S	.	*	H	α-helix	trans	-70.4	-43.6	173.4	-176.5	-95.2	0	0	0	111.8	D29 D34 K35 V36	D29-F32 HydrophobicContact CB-CB 3.91Å; D29-F32 PolarHBondContact O-N 3.02Å; D29-F32 VanDerWaalsContact O-N 3.1Å; D29-F32 PolarHBondContact OD1-N 3.12Å; D29-F32 WeakPolarHBondContact OD2-CB 3.38Å; F32-D34 VanDerWaalsContact C-N 3.33Å; F32-D34 PolarHBondContact O-N 2.92Å; F32-K35 CarbonylContact O-C 3.4Å; F32-K35 WeakPolarHBondContact O-CA 3.14Å; F32-K35 WeakPolarHBondContact O-CB 3.33Å; F32-K35 PolarHBondContact O-N 3.37Å; F32-V36 HydrophobicContact CD1-CG2 4.28Å; F32-V36 HydrophobicContact CE1-CG2 3.99Å; F32-V36 PolarHBondContact O-N 3.49Å
33	D	70.9	Confident	65.8	Low	84 Å²	84	100.2 Å²	100.2	45%	0.449	55%	0.545	S	S	.	.	H	α-helix	trans	-61.1	-42	178.1	-69.2	-25	0	0	0	110.9	D29 K35 V36 D37	D29-D33 WeakPolarHBondContact O-CB 3.35Å; D29-D33 VanDerWaalsContact O-CG 3.28Å; D29-D33 PolarHBondContact O-N 3.1Å; D33-K35 VanDerWaalsContact C-N 3.27Å; D33-K35 PolarHBondContact O-N 3.08Å; D33-V36 WeakPolarHBondContact O-CB 3.29Å; D33-V36 PolarHBondContact O-N 3.27Å; D33-D37 PolarHBondContact O-N 2.81Å
34	D	69.6	Low	64.9	Low	107 Å²	107	97.8 Å²	97.8	57%	0.572	54%	0.541	S	S	*	.	H	α-helix	trans	-64.5	-28.3	172.3	-73.8	-15.6	0	0	0	112.5	L30 F32 D37 N38	L30-D34 VanDerWaalsContact O-CB 3.26Å; L30-D34 WeakPolarHBondContact O-CB 3.43Å; L30-D34 PolarHBondContact O-N 2.69Å; F32-D34 VanDerWaalsContact C-N 3.33Å; F32-D34 PolarHBondContact O-N 2.92Å; D34-D37 WeakPolarHBondContact O-CB 3.38Å; D34-D37 PolarHBondContact O-N 3.35Å; D34-N38 PolarHBondContact O-N 3.2Å
35	K	61.9	Low	63.8	Low	103 Å²	103	97.6 Å²	97.6	45%	0.448	54%	0.54	S	S	.	.	H	α-helix	trans	-77.2	-26.6	174.8	-76.9	173.7	-170	163.5	0	112.9	E31 F32 D33 D37 N38 C39	E31-K35 VanDerWaalsContact O-CG 3.29Å; E31-K35 WeakPolarHBondContact O-CG 3.33Å; E31-K35 PolarHBondContact O-N 2.85Å; E31-K35 WeakPolarHBondContact OE1-CE 3.43Å; E31-K35 IonicContact OE1-NZ 3.12Å; E31-K35 PolarHBondContact OE1-NZ 3.02Å; F32-K35 CarbonylContact O-C 3.4Å; F32-K35 WeakPolarHBondContact O-CA 3.14Å; F32-K35 WeakPolarHBondContact O-CB 3.33Å; F32-K35 PolarHBondContact O-N 3.37Å; D33-K35 VanDerWaalsContact C-N 3.27Å; D33-K35 PolarHBondContact O-N 3.08Å; K35-D37 PolarHBondContact O-N 2.99Å; K35-N38 WeakPolarHBondContact O-CA 3.37Å; K35-N38 WeakPolarHBondContact O-CB 3.47Å; K35-N38 PolarHBondContact O-N 3.32Å; K35-C39 PolarHBondContact O-N 3.25Å
36	V	58.9	Low	62.9	Low	68 Å²	68	95.3 Å²	95.3	41%	0.412	52%	0.524	S	S	.	.	H	α-helix	trans	-61.4	-35.5	169.3	-178	0	0	0	0	109.6	F32 D33 N38 C39 N40	F32-V36 HydrophobicContact CD1-CG2 4.28Å; F32-V36 HydrophobicContact CE1-CG2 3.99Å; F32-V36 PolarHBondContact O-N 3.49Å; D33-V36 WeakPolarHBondContact O-CB 3.29Å; D33-V36 PolarHBondContact O-N 3.27Å; V36-N38 VanDerWaalsContact C-N 3.28Å; V36-N38 PolarHBondContact O-N 2.87Å; V36-C39 WeakPolarHBondContact O-CB 3.49Å; V36-C39 PolarHBondContact O-N 3.16Å; V36-C39 VanDerWaalsContact O-N 3.12Å; V36-N40 PolarHBondContact O-N 3.21Å
37	D	57.3	Low	62.4	Low	93 Å²	93	94.1 Å²	94.1	50%	0.497	51%	0.506	S	S	.	.	H	α-helix	trans	-65.4	-27.3	171.1	-85.1	-15.7	0	0	0	113.3	D33 D34 K35 C39 N40 R41	D33-D37 PolarHBondContact O-N 2.81Å; D34-D37 WeakPolarHBondContact O-CB 3.38Å; D34-D37 PolarHBondContact O-N 3.35Å; K35-D37 PolarHBondContact O-N 2.99Å; D37-C39 VanDerWaalsContact C-N 3.35Å; D37-C39 PolarHBondContact O-N 2.56Å; D37-N40 CarbonylContact O-C 3.58Å; D37-N40 WeakPolarHBondContact O-CA 3.29Å; D37-N40 VanDerWaalsContact O-CB 3.31Å; D37-N40 WeakPolarHBondContact O-CB 3.43Å; D37-N40 PolarHBondContact O-N 3.31Å; D37-N40 VanDerWaalsContact O-N 3.12Å; D37-N40 PolarHBondContact OD1-ND2 3.42Å; D37-R41 WeakPolarHBondContact O-CG 3.24Å; D37-R41 PolarHBondContact O-N 3.3Å
38	N	53.7	Low	61.3	Low	78 Å²	78	98.5 Å²	98.5	42%	0.417	52%	0.516	S	S	.	.	H	α-helix	trans	-67.8	-32.8	171	-78.8	-22.5	0	0	0	112.9	D34 K35 V36 N40 R41 V42	D34-N38 PolarHBondContact O-N 3.2Å; K35-N38 WeakPolarHBondContact O-CA 3.37Å; K35-N38 WeakPolarHBondContact O-CB 3.47Å; K35-N38 PolarHBondContact O-N 3.32Å; V36-N38 VanDerWaalsContact C-N 3.28Å; V36-N38 PolarHBondContact O-N 2.87Å; N38-N40 PolarHBondContact O-N 3.1Å; N38-R41 WeakPolarHBondContact O-CB 3.31Å; N38-R41 PolarHBondContact O-N 2.89Å; N38-R41 VanDerWaalsContact O-N 3.13Å; N38-R41 VanDerWaalsContact OD1-CD 3.23Å; N38-R41 WeakPolarHBondContact OD1-CD 3.21Å; N38-V42 PolarHBondContact O-N 3.18Å; N38-V42 VanDerWaalsContact O-N 3.12Å
39	C	55.3	Low	60.6	Low	87 Å²	87	98.1 Å²	98.1	59%	0.588	52%	0.517	S	S	*	.	H	α-helix	trans	-63.2	-35.9	170.2	-66.4	0	0	0	0	110.9	K35 V36 D37	K35-C39 PolarHBondContact O-N 3.25Å; V36-C39 WeakPolarHBondContact O-CB 3.49Å; V36-C39 PolarHBondContact O-N 3.16Å; V36-C39 VanDerWaalsContact O-N 3.12Å; D37-C39 VanDerWaalsContact C-N 3.35Å; D37-C39 PolarHBondContact O-N 2.56Å
40	N	53.6	Low	60	Low	82 Å²	82	96.4 Å²	96.4	44%	0.439	51%	0.505	S	S	.	.	H	α-helix	trans	-66.5	-36.6	171	-64.3	-29	0	0	0	111.9	V36 D37 N38 I43 E44	V36-N40 PolarHBondContact O-N 3.21Å; D37-N40 CarbonylContact O-C 3.58Å; D37-N40 WeakPolarHBondContact O-CA 3.29Å; D37-N40 VanDerWaalsContact O-CB 3.31Å; D37-N40 WeakPolarHBondContact O-CB 3.43Å; D37-N40 PolarHBondContact O-N 3.31Å; D37-N40 VanDerWaalsContact O-N 3.12Å; D37-N40 PolarHBondContact OD1-ND2 3.42Å; N38-N40 PolarHBondContact O-N 3.1Å; N40-I43 VanDerWaalsContact O-CB 3.23Å; N40-I43 WeakPolarHBondContact O-CB 3.4Å; N40-I43 PolarHBondContact O-N 2.56Å; N40-I43 VanDerWaalsContact O-N 3.08Å; N40-E44 PolarHBondContact O-N 3.42Å
41	R	49.8	Very low	59.5	Low	146 Å²	146	92.6 Å²	92.6	55%	0.551	49%	0.488	S	S	*	.	H	α-helix	trans	-66.4	-36.1	178.2	-78	172.6	148.2	-165.4	-4.2	114.7	D37 N38 I43 E44 D45	D37-R41 WeakPolarHBondContact O-CG 3.24Å; D37-R41 PolarHBondContact O-N 3.3Å; N38-R41 WeakPolarHBondContact O-CB 3.31Å; N38-R41 PolarHBondContact O-N 2.89Å; N38-R41 VanDerWaalsContact O-N 3.13Å; N38-R41 VanDerWaalsContact OD1-CD 3.23Å; N38-R41 WeakPolarHBondContact OD1-CD 3.21Å; R41-I43 PolarHBondContact O-N 3.21Å; R41-E44 PolarHBondContact O-N 3.38Å; R41-D45 PolarHBondContact O-N 2.99Å
42	V	52	Low	59.1	Low	94 Å²	94	86.7 Å²	86.7	57%	0.57	46%	0.46	S	S	*	.	H	α-helix	trans	-54.2	-28.1	172	175.9	0	0	0	0	110.8	N38 V46	N38-V42 PolarHBondContact O-N 3.18Å; N38-V42 VanDerWaalsContact O-N 3.12Å; V42-V46 VanDerWaalsContact O-CG2 3.24Å; V42-V46 WeakPolarHBondContact O-CG2 3.31Å; V42-V46 PolarHBondContact O-N 3.48Å
43	I	52.2	Low	59.2	Low	42 Å²	42	87.6 Å²	87.6	22%	0.215	47%	0.466	C	S	.	.	H	α-helix	trans	-81.7	-36.4	177.8	-56.9	151.7	0	0	0	111.6	N40 R41 V46 N47 L102	N40-I43 VanDerWaalsContact O-CB 3.23Å; N40-I43 WeakPolarHBondContact O-CB 3.4Å; N40-I43 PolarHBondContact O-N 2.56Å; N40-I43 VanDerWaalsContact O-N 3.08Å; R41-I43 PolarHBondContact O-N 3.21Å; I43-V46 PolarHBondContact O-N 3.18Å; I43-N47 PolarHBondContact O-N 2.92Å; I43-L102 HydrophobicContact CB-CD2 4.44Å; I43-L102 HydrophobicContact CD1-CD1 4.39Å; I43-L102 HydrophobicContact CD1-CD2 3.38Å; I43-L102 HydrophobicContact CD1-CG 4.44Å; I43-L102 HydrophobicContact CG1-CD2 3.65Å; I43-L102 HydrophobicContact CG2-CD2 3.91Å
44	E	54.5	Low	59.3	Low	123 Å²	123	84.5 Å²	84.5	58%	0.575	45%	0.452	S	S	*	.	H	α-helix	trans	-63.4	-43.6	172.6	-65.4	-172.2	153.3	0	0	111.2	N40 R41 V46 N47 D48	N40-E44 PolarHBondContact O-N 3.42Å; R41-E44 PolarHBondContact O-N 3.38Å; E44-V46 PolarHBondContact O-N 2.83Å; E44-N47 WeakPolarHBondContact O-CA 3.38Å; E44-N47 VanDerWaalsContact O-CB 3.31Å; E44-N47 WeakPolarHBondContact O-CB 3.17Å; E44-N47 PolarHBondContact O-N 3.35Å; E44-D48 PolarHBondContact O-N 3.5Å
45	D	51.8	Low	59.6	Low	112 Å²	112	83.7 Å²	83.7	60%	0.599	45%	0.451	S	S	*	.	H	α-helix	trans	-61.9	-33.8	176.4	-70.5	-17.1	0	0	0	112	R41 N47 D48 S49	R41-D45 PolarHBondContact O-N 2.99Å; D45-N47 VanDerWaalsContact C-N 3.33Å; D45-D48 PolarHBondContact O-N 3.21Å; D45-S49 PolarHBondContact O-N 3.46Å
46	V	51.9	Low	60.4	Low	71 Å²	71	84 Å²	84	43%	0.43	45%	0.454	S	S	.	.	H	α-helix	trans	-66.6	-34.5	172.7	170.8	0	0	0	0	111.2	V42 I43 E44 D48 F50 V115	V42-V46 VanDerWaalsContact O-CG2 3.24Å; V42-V46 WeakPolarHBondContact O-CG2 3.31Å; V42-V46 PolarHBondContact O-N 3.48Å; I43-V46 PolarHBondContact O-N 3.18Å; E44-V46 PolarHBondContact O-N 2.83Å; V46-D48 PolarHBondContact O-N 3.12Å; V46-F50 WeakPolarHBondContact O-CB 3.31Å; V46-F50 PolarHBondContact O-N 3.01Å; V46-F50 VanDerWaalsContact O-N 3.09Å; V46-V115 HydrophobicContact CG1-CG2 4.43Å
47	N	55.9	Low	61.4	Low	56 Å²	56	80.9 Å²	80.9	30%	0.299	44%	0.435	S	S	.	.	H	α-helix	trans	-65	-37.6	177.4	-93.8	-46.5	0	0	0	112.6	I43 E44 D45 A54	I43-N47 PolarHBondContact O-N 2.92Å; E44-N47 WeakPolarHBondContact O-CA 3.38Å; E44-N47 VanDerWaalsContact O-CB 3.31Å; E44-N47 WeakPolarHBondContact O-CB 3.17Å; E44-N47 PolarHBondContact O-N 3.35Å; D45-N47 VanDerWaalsContact C-N 3.33Å; N47-A54 WeakPolarHBondContact OD1-CB 3.39Å; N47-A54 PolarHBondContact OD1-N 3.32Å
48	D	57.3	Low	62.5	Low	149 Å²	149	77.2 Å²	77.2	80%	0.797	42%	0.418	S	S	*	.	H	α-helix	trans	-73.4	-33.8	-176.9	-78	-12.4	0	0	0	112.7	E44 D45 V46	E44-D48 PolarHBondContact O-N 3.5Å; D45-D48 PolarHBondContact O-N 3.21Å; V46-D48 PolarHBondContact O-N 3.12Å
49	S	63.1	Low	63.8	Low	110 Å²	110	80.1 Å²	80.1	77%	0.769	43%	0.427	S	S	*	.	H	α-helix	trans	-88.9	-15.2	178.5	-176.3	0	0	0	0	114	D45	D45-S49 PolarHBondContact O-N 3.46Å
50	F	65.8	Low	65	Low	45 Å²	45	76.4 Å²	76.4	20%	0.197	40%	0.402	C	S	.	.	S	Bend	trans	-89.6	130.6	-172.7	-173.6	-112.9	0	0	0	110.8	V46 V52 L57 V115 I117 V125	V46-F50 WeakPolarHBondContact O-CB 3.31Å; V46-F50 PolarHBondContact O-N 3.01Å; V46-F50 VanDerWaalsContact O-N 3.09Å; F50-V52 HydrophobicContact CD1-CB 4.29Å; F50-V52 WeakPolarHBondContact CD1-O 3.26Å; F50-V52 HydrophobicContact CE1-CB 3.75Å; F50-V52 HydrophobicContact CE1-CG2 4.18Å; F50-V52 VanDerWaalsContact CE1-O 3.32Å; F50-V52 WeakPolarHBondContact CE1-O 3.23Å; F50-V52 HydrophobicContact CZ-CB 4.44Å; F50-V52 HydrophobicContact CZ-CG2 4.4Å; F50-V52 PolarHBondContact O-N 3.13Å; F50-L57 HydrophobicContact CE1-CD2 4.09Å; F50-V115 HydrophobicContact CE2-CB 4.5Å; F50-V115 HydrophobicContact CZ-CG1 4.43Å; F50-I117 HydrophobicContact CE1-CD1 4.41Å; F50-I117 HydrophobicContact CE2-CD1 3.99Å; F50-I117 HydrophobicContact CZ-CD1 3.41Å; F50-I117 VanDerWaalsContact CZ-CD1 3.41Å; F50-V125 HydrophobicContact CZ-CG2 4.38Å
51	P	66.2	Low	66.2	Low	43 Å²	43	72.6 Å²	72.6	28%	0.279	38%	0.382	S	S	.	.	S	Bend	trans	-64.6	-5.2	-170.9	23.3	-35.6	0	0	0	115.5	V125 R128	P51-V125 HydrophobicContact CG-CG1 4.09Å; P51-R128 HydrophobicContact CB-CB 3.55Å; P51-R128 HydrophobicContact CB-CG 4.06Å; P51-R128 HydrophobicContact CG-CB 4.46Å
52	V	68	Low	67.5	Low	3 Å²	3	70.2 Å²	70.2	2%	0.018	38%	0.384	C	S	.	.	S	Bend	trans	-135.6	125.8	-177.2	-166.6	0	0	0	0	109	F50 A54 H56 Y124 V125	F50-V52 HydrophobicContact CD1-CB 4.29Å; F50-V52 WeakPolarHBondContact CD1-O 3.26Å; F50-V52 HydrophobicContact CE1-CB 3.75Å; F50-V52 HydrophobicContact CE1-CG2 4.18Å; F50-V52 VanDerWaalsContact CE1-O 3.32Å; F50-V52 WeakPolarHBondContact CE1-O 3.23Å; F50-V52 HydrophobicContact CZ-CB 4.44Å; F50-V52 HydrophobicContact CZ-CG2 4.4Å; F50-V52 PolarHBondContact O-N 3.13Å; V52-A54 PolarHBondContact O-N 2.98Å; V52-H56 HydrophobicContact CG1-CB 4.01Å; V52-Y124 HydrophobicContact CB-CE1 4.31Å; V52-Y124 HydrophobicContact CG1-CD1 4.34Å; V52-Y124 HydrophobicContact CG1-CE1 4.18Å; V52-Y124 HydrophobicContact CG2-CD1 3.59Å; V52-Y124 HydrophobicContact CG2-CE1 3.65Å; V52-V125 HydrophobicContact CG2-CG2 3.45Å; V52-V125 VanDerWaalsContact CG2-CG2 3.45Å
53	Q	73.9	Confident	68.9	Low	144 Å²	144	74.2 Å²	74.2	67%	0.673	39%	0.393	S	S	*	.			trans	-55	136.2	174.6	-66.5	-177.2	-14	0	0	111.4	T55 H56 L57	Q53-T55 PolarHBondContact O-N 3.45Å; Q53-T55 VanDerWaalsContact O-N 3.08Å; Q53-H56 WeakPolarHBondContact O-CB 3.45Å; Q53-H56 PolarHBondContact O-N 2.91Å; Q53-L57 PolarHBondContact O-N 3.12Å; Q53-L57 VanDerWaalsContact O-N 3.12Å
54	A	73	Confident	70.4	Confident	18 Å²	18	72.7 Å²	72.7	15%	0.149	39%	0.386	C	S	.	.	H	α-helix	trans	-53.2	-33.9	179.5	0	0	0	0	0	112.8	N47 V52 H56 L57 A58 V105	N47-A54 WeakPolarHBondContact OD1-CB 3.39Å; N47-A54 PolarHBondContact OD1-N 3.32Å; V52-A54 PolarHBondContact O-N 2.98Å; A54-H56 PolarHBondContact O-N 3.38Å; A54-L57 PolarHBondContact O-N 3.4Å; A54-A58 WeakPolarHBondContact O-CB 3.46Å; A54-A58 PolarHBondContact O-N 3.28Å; A54-V105 HydrophobicContact CB-CG2 4.35Å
55	T	76.6	Confident	71.8	Confident	90 Å²	90	73.7 Å²	73.7	55%	0.552	38%	0.384	S	S	*	.	H	α-helix	trans	-63.9	-37.7	177	60.5	0	0	0	0	113.2	Q53 K59	Q53-T55 PolarHBondContact O-N 3.45Å; Q53-T55 VanDerWaalsContact O-N 3.08Å; T55-K59 WeakPolarHBondContact O-CG 3.43Å; T55-K59 PolarHBondContact O-N 2.78Å
56	H	78	Confident	73.3	Confident	110 Å²	110	68.8 Å²	68.8	51%	0.509	36%	0.358	S	S	.	.	H	α-helix	trans	-72.1	-41.3	176.3	-169.8	97.5	0	0	0	110.3	V52 Q53 A54 A58 K59 A60	V52-H56 HydrophobicContact CG1-CB 4.01Å; Q53-H56 WeakPolarHBondContact O-CB 3.45Å; Q53-H56 PolarHBondContact O-N 2.91Å; A54-H56 PolarHBondContact O-N 3.38Å; H56-A58 VanDerWaalsContact C-N 3.35Å; H56-A58 PolarHBondContact O-N 3.21Å; H56-K59 PolarHBondContact O-N 2.78Å; H56-A60 PolarHBondContact O-N 2.98Å
57	L	79.7	Confident	74.9	Confident	2 Å²	2	65.4 Å²	65.4	1%	0.01	34%	0.337	C	S	.	.	H	α-helix	trans	-62.6	-42.2	176	-169.6	69.7	0	0	0	111.7	F50 Q53 A54 K59 A60 T61 V105 V115 I117 P118 A121	F50-L57 HydrophobicContact CE1-CD2 4.09Å; Q53-L57 PolarHBondContact O-N 3.12Å; Q53-L57 VanDerWaalsContact O-N 3.12Å; A54-L57 PolarHBondContact O-N 3.4Å; L57-K59 VanDerWaalsContact C-N 3.33Å; L57-K59 PolarHBondContact O-N 3.46Å; L57-A60 WeakPolarHBondContact O-CB 3.42Å; L57-A60 PolarHBondContact O-N 2.93Å; L57-A60 VanDerWaalsContact O-N 3.08Å; L57-T61 WeakPolarHBondContact O-CB 3.36Å; L57-T61 PolarHBondContact O-N 2.89Å; L57-T61 PolarHBondContact O-OG1 3.23Å; L57-V105 HydrophobicContact CB-CG2 4.25Å; L57-V105 HydrophobicContact CD2-CB 4.39Å; L57-V105 HydrophobicContact CD2-CG1 3.58Å; L57-V105 HydrophobicContact CD2-CG2 3.91Å; L57-V105 HydrophobicContact CG-CG2 4.26Å; L57-V115 HydrophobicContact CD2-CG1 3.21Å; L57-I117 HydrophobicContact CD1-CD1 4.16Å; L57-I117 HydrophobicContact CD2-CD1 4.32Å; L57-P118 HydrophobicContact CD1-CG 3.88Å; L57-A121 HydrophobicContact CD1-CB 4.26Å
58	A	79.5	Confident	76.2	Confident	16 Å²	16	64.4 Å²	64.4	13%	0.132	34%	0.335	C	S	.	.	H	α-helix	trans	-58.6	-43.4	175.3	0	0	0	0	0	112.1	A54 H56 A60 T61 T62 G104 V105	A54-A58 WeakPolarHBondContact O-CB 3.46Å; A54-A58 PolarHBondContact O-N 3.28Å; H56-A58 VanDerWaalsContact C-N 3.35Å; H56-A58 PolarHBondContact O-N 3.21Å; A58-A60 VanDerWaalsContact C-N 3.31Å; A58-A60 PolarHBondContact O-N 2.8Å; A58-T61 PolarHBondContact O-N 2.82Å; A58-T62 WeakPolarHBondContact O-CG2 3.34Å; A58-T62 PolarHBondContact O-N 3.17Å; A58-T62 VanDerWaalsContact O-N 3.11Å; A58-T62 PolarHBondContact O-OG1 3.06Å; A58-G104 WeakPolarHBondContact CA-O 2.94Å; A58-V105 HydrophobicContact CB-CG2 4.47Å
59	K	81.5	Confident	77.6	Confident	140 Å²	140	62.5 Å²	62.5	61%	0.609	32%	0.316	S	S	*	.	H	α-helix	trans	-65.7	-32.5	174.3	-70.6	175.2	-176.1	177.4	0	112.9	T55 H56 L57 T62 K63	T55-K59 WeakPolarHBondContact O-CG 3.43Å; T55-K59 PolarHBondContact O-N 2.78Å; H56-K59 PolarHBondContact O-N 2.78Å; L57-K59 VanDerWaalsContact C-N 3.33Å; L57-K59 PolarHBondContact O-N 3.46Å; K59-T62 PolarHBondContact O-OG1 3.31Å; K59-T62 VanDerWaalsContact O-OG1 3.05Å; K59-K63 WeakPolarHBondContact O-CG 3.48Å; K59-K63 PolarHBondContact O-N 2.97Å
60	A	80	Confident	78.7	Confident	8 Å²	8	57.5 Å²	57.5	7%	0.066	28%	0.281	C	S	.	.	H	α-helix	trans	-73.1	-42.1	176.5	0	0	0	0	0	111.3	H56 L57 A58 T62 K63 D64 P118 A121	H56-A60 PolarHBondContact O-N 2.98Å; L57-A60 WeakPolarHBondContact O-CB 3.42Å; L57-A60 PolarHBondContact O-N 2.93Å; L57-A60 VanDerWaalsContact O-N 3.08Å; A58-A60 VanDerWaalsContact C-N 3.31Å; A58-A60 PolarHBondContact O-N 2.8Å; A60-T62 VanDerWaalsContact C-N 3.34Å; A60-T62 PolarHBondContact O-N 2.83Å; A60-K63 PolarHBondContact O-N 3.07Å; A60-D64 PolarHBondContact O-N 3.48Å; A60-P118 HydrophobicContact CB-CG 3.61Å; A60-A121 HydrophobicContact CB-CB 4.34Å
61	T	79.3	Confident	79.5	Confident	3 Å²	3	60 Å²	60	2%	0.018	29%	0.289	C	S	.	.	H	α-helix	trans	-58.6	-42	175.8	-62.9	0	0	0	0	111.9	L57 A58 K63 D64 F67 G104 I106	L57-T61 WeakPolarHBondContact O-CB 3.36Å; L57-T61 PolarHBondContact O-N 2.89Å; L57-T61 PolarHBondContact O-OG1 3.23Å; A58-T61 PolarHBondContact O-N 2.82Å; T61-K63 VanDerWaalsContact C-N 3.32Å; T61-K63 PolarHBondContact O-N 2.78Å; T61-D64 PolarHBondContact O-N 3.05Å; T61-F67 HydrophobicContact CG2-CB 3.91Å; T61-F67 HydrophobicContact CG2-CD2 4.08Å; T61-G104 WeakPolarHBondContact CG2-O 3.34Å; T61-I106 HydrophobicContact CG2-CD1 4.22Å; T61-I106 HydrophobicContact CG2-CG1 4.32Å
62	T	78.1	Confident	80.3	Confident	96 Å²	96	65.1 Å²	65.1	59%	0.589	30%	0.303	S	S	*	.	H	α-helix	trans	-72.3	-23.5	178.4	52.6	0	0	0	0	113.9	A58 K59 A60 S68	A58-T62 WeakPolarHBondContact O-CG2 3.34Å; A58-T62 PolarHBondContact O-N 3.17Å; A58-T62 VanDerWaalsContact O-N 3.11Å; A58-T62 PolarHBondContact O-OG1 3.06Å; K59-T62 PolarHBondContact O-OG1 3.31Å; K59-T62 VanDerWaalsContact O-OG1 3.05Å; A60-T62 VanDerWaalsContact C-N 3.34Å; A60-T62 PolarHBondContact O-N 2.83Å; T62-S68 PolarHBondContact O-OG 3.43Å
63	K	80.7	Confident	81	Confident	178 Å²	178	66.4 Å²	66.4	77%	0.774	31%	0.308	S	S	*	.	H	α-helix	trans	-83.9	-24.9	174.8	-72.4	177.6	179.9	-176.2	0	112.9	K59 A60 T61 W65	K59-K63 WeakPolarHBondContact O-CG 3.48Å; K59-K63 PolarHBondContact O-N 2.97Å; A60-K63 PolarHBondContact O-N 3.07Å; T61-K63 VanDerWaalsContact C-N 3.32Å; T61-K63 PolarHBondContact O-N 2.78Å; K63-W65 PolarHBondContact O-N 2.95Å
64	D	83.6	Confident	81.4	Confident	10 Å²	10	61.8 Å²	61.8	5%	0.053	29%	0.287	C	S	.	.			trans	-76	124	-179.6	-168.1	-38.9	0	0	0	110	A60 T61 E66 F67 S68 P118 Q119	A60-D64 PolarHBondContact O-N 3.48Å; T61-D64 PolarHBondContact O-N 3.05Å; D64-E66 VanDerWaalsContact C-N 3.32Å; D64-E66 PolarHBondContact O-N 3.17Å; D64-E66 WeakPolarHBondContact OD1-CB 3.3Å; D64-E66 PolarHBondContact OD1-N 3.35Å; D64-F67 HydrophobicContact CB-CB 4.13Å; D64-F67 HydrophobicContact CB-CG 4.39Å; D64-F67 PolarHBondContact O-N 2.83Å; D64-S68 VanDerWaalsContact O-CB 3.3Å; D64-S68 WeakPolarHBondContact O-CB 3.3Å; D64-S68 PolarHBondContact O-N 3.27Å; D64-S68 PolarHBondContact O-OG 3.35Å; D64-P118 HydrophobicContact CB-CB 3.93Å; D64-P118 WeakPolarHBondContact OD2-CB 3.46Å; D64-Q119 PolarHBondContact OD2-N 2.87Å
65	W	83.4	Confident	81.8	Confident	143 Å²	143	66.6 Å²	66.6	54%	0.542	31%	0.306	S	S	.	.	H	α-helix	trans	-65.4	-36.7	-177.9	73	-87	0	0	0	111.7	K63 R69 S88	K63-W65 PolarHBondContact O-N 2.95Å; W65-R69 WeakPolarHBondContact O-CG 3.48Å; W65-R69 PolarHBondContact O-N 3.29Å; W65-S88 WeakPolarHBondContact CH2-OG 3.47Å
66	E	84.1	Confident	81.9	Confident	10 Å²	10	65.7 Å²	65.7	5%	0.047	32%	0.315	C	S	.	.	H	α-helix	trans	-66.3	-46.3	178.8	-65.1	-163.7	129.6	0	0	109.2	D64 R69 V70 S88 L89 R91	D64-E66 VanDerWaalsContact C-N 3.32Å; D64-E66 PolarHBondContact O-N 3.17Å; D64-E66 WeakPolarHBondContact OD1-CB 3.3Å; D64-E66 PolarHBondContact OD1-N 3.35Å; E66-R69 WeakPolarHBondContact O-CB 3.46Å; E66-R69 PolarHBondContact O-N 3.34Å; E66-V70 WeakPolarHBondContact O-CG2 3.44Å; E66-V70 PolarHBondContact O-N 2.96Å; E66-S88 WeakPolarHBondContact OE1-CB 3.44Å; E66-S88 PolarHBondContact OE1-OG 3.39Å; E66-L89 HydrophobicContact CB-CD2 3.66Å; E66-L89 HydrophobicContact CG-CD2 4.07Å; E66-R91 IonicContact OE2-NH2 3.42Å; E66-R91 PolarHBondContact OE2-NH2 3.44Å; E66-R91 VanDerWaalsContact OE2-NH2 3.12Å
67	F	84.9	Confident	81.8	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-78.2	-30.2	-172.4	-73.7	15.9	0	0	0	111.9	T61 D64 R69 V70 W71 Y92 I106 V116 I117 P118	T61-F67 HydrophobicContact CG2-CB 3.91Å; T61-F67 HydrophobicContact CG2-CD2 4.08Å; D64-F67 HydrophobicContact CB-CB 4.13Å; D64-F67 HydrophobicContact CB-CG 4.39Å; D64-F67 PolarHBondContact O-N 2.83Å; F67-R69 PolarHBondContact O-N 3.12Å; F67-V70 PolarHBondContact O-N 3.29Å; F67-W71 WeakPolarHBondContact O-CB 3.37Å; F67-W71 PolarHBondContact O-N 3.09Å; F67-Y92 HydrophobicContact CD1-CE2 4.42Å; F67-Y92 HydrophobicContact CE1-CE1 4.3Å; F67-Y92 AromaticContact CE1-CE2 3.89Å; F67-Y92 HydrophobicContact CE1-CE2 3.89Å; F67-Y92 AromaticContact CE1-CZ 3.54Å; F67-Y92 WeakPolarHBondContact CE1-OH 3.49Å; F67-I106 HydrophobicContact CB-CD1 4.02Å; F67-I106 HydrophobicContact CD2-CD1 4.12Å; F67-I106 HydrophobicContact CG-CD1 4.08Å; F67-V116 HydrophobicContact CE1-CG1 4.23Å; F67-V116 HydrophobicContact CE2-CB 4.41Å; F67-V116 HydrophobicContact CE2-CG1 3.77Å; F67-V116 HydrophobicContact CZ-CG1 3.44Å; F67-V116 VanDerWaalsContact CZ-CG1 3.44Å; F67-I117 VanDerWaalsContact CE2-C 3.42Å; F67-I117 WeakPolarHBondContact CZ-O 3.45Å; F67-P118 HydrophobicContact CD2-CB 3.64Å; F67-P118 HydrophobicContact CD2-CG 4.41Å; F67-P118 HydrophobicContact CE2-CB 3.64Å; F67-P118 HydrophobicContact CE2-CG 4.3Å; F67-P118 HydrophobicContact CG-CB 4.43Å; F67-P118 HydrophobicContact CZ-CB 4.36Å
68	S	84.1	Confident	81.3	Confident	35 Å²	35	65.1 Å²	65.1	25%	0.245	33%	0.326	C	S	.	.	H	α-helix	trans	-58.7	-36.4	168.6	-65.1	0	0	0	0	111.5	T62 D64 R72	T62-S68 PolarHBondContact O-OG 3.43Å; D64-S68 VanDerWaalsContact O-CB 3.3Å; D64-S68 WeakPolarHBondContact O-CB 3.3Å; D64-S68 PolarHBondContact O-N 3.27Å; D64-S68 PolarHBondContact O-OG 3.35Å; S68-R72 WeakPolarHBondContact O-CG 3.45Å; S68-R72 PolarHBondContact O-N 3.46Å; S68-R72 VanDerWaalsContact O-N 3.11Å
69	R	85.8	Confident	80.9	Confident	109 Å²	109	66.7 Å²	66.7	41%	0.411	34%	0.336	S	S	.	.	H	α-helix	trans	-72.9	-48.1	175.2	-71	-77.7	170.6	169.6	0.7	112.1	W65 E66 F67 W71 R72 Y73 L89	W65-R69 WeakPolarHBondContact O-CG 3.48Å; W65-R69 PolarHBondContact O-N 3.29Å; E66-R69 WeakPolarHBondContact O-CB 3.46Å; E66-R69 PolarHBondContact O-N 3.34Å; F67-R69 PolarHBondContact O-N 3.12Å; R69-W71 VanDerWaalsContact C-N 3.26Å; R69-W71 PolarHBondContact O-N 3.19Å; R69-R72 WeakPolarHBondContact O-CB 3.38Å; R69-R72 PolarHBondContact O-N 2.91Å; R69-Y73 WeakPolarHBondContact O-CD2 3.38Å; R69-Y73 PolarHBondContact O-N 2.91Å; R69-L89 HydrophobicContact CB-CD1 3.56Å; R69-L89 HydrophobicContact CG-CD1 4.26Å
70	V	85.6	Confident	80.6	Confident	4 Å²	4	63.8 Å²	63.8	2%	0.024	35%	0.345	C	S	.	.	H	α-helix	trans	-57.7	-41.5	174.9	176.7	0	0	0	0	111	E66 F67 Y73 I74 L89 Y92 L99 I106	E66-V70 WeakPolarHBondContact O-CG2 3.44Å; E66-V70 PolarHBondContact O-N 2.96Å; F67-V70 PolarHBondContact O-N 3.29Å; V70-Y73 WeakPolarHBondContact O-CB 3.26Å; V70-Y73 PolarHBondContact O-N 3.02Å; V70-I74 HydrophobicContact CG1-CD1 3.87Å; V70-I74 HydrophobicContact CG1-CG1 4.41Å; V70-I74 VanDerWaalsContact O-CG1 3.3Å; V70-I74 WeakPolarHBondContact O-CG1 3.31Å; V70-I74 PolarHBondContact O-N 3.08Å; V70-L89 HydrophobicContact CG2-CD2 4.01Å; V70-Y92 HydrophobicContact CG2-CD2 3.61Å; V70-Y92 HydrophobicContact CG2-CE2 4.42Å; V70-Y92 HydrophobicContact CG2-CG 3.75Å; V70-L99 HydrophobicContact CG1-CD1 3.92Å; V70-I106 HydrophobicContact CB-CD1 4.2Å; V70-I106 HydrophobicContact CG1-CD1 3.95Å
71	W	83.4	Confident	80.6	Confident	99 Å²	99	73.2 Å²	73.2	38%	0.375	38%	0.379	S	S	.	.	H	α-helix	trans	-61.6	-47.6	176.3	175.4	63	0	0	0	112	F67 R69 Y73 I74 Q75 F101	F67-W71 WeakPolarHBondContact O-CB 3.37Å; F67-W71 PolarHBondContact O-N 3.09Å; R69-W71 VanDerWaalsContact C-N 3.26Å; R69-W71 PolarHBondContact O-N 3.19Å; W71-Y73 PolarHBondContact O-N 2.82Å; W71-I74 PolarHBondContact O-N 3.34Å; W71-I74 VanDerWaalsContact O-N 3.17Å; W71-Q75 HydrophobicContact CD2-CG 4.47Å; W71-Q75 HydrophobicContact CZ2-CG 4.3Å; W71-Q75 WeakPolarHBondContact O-CG 3.41Å; W71-Q75 PolarHBondContact O-N 3.35Å; W71-F101 AromaticContact CD1-CD2 3.37Å; W71-F101 AromaticContact CD1-CE1 3.97Å; W71-F101 AromaticContact CD1-CE2 3.24Å; W71-F101 AromaticContact CD1-CG 3.74Å; W71-F101 AromaticContact CD1-CZ 3.54Å; W71-F101 HydrophobicContact CG-CD2 4.48Å; W71-F101 HydrophobicContact CG-CE2 4.22Å; W71-F101 AromaticContact NE1-CD1 3.72Å; W71-F101 AromaticContact NE1-CD2 3.81Å; W71-F101 AromaticContact NE1-CE1 3.34Å; W71-F101 VanDerWaalsContact NE1-CE1 3.34Å; W71-F101 AromaticContact NE1-CE2 3.41Å; W71-F101 AromaticContact NE1-CG 3.91Å; W71-F101 AromaticContact NE1-CZ 3.13Å
72	R	83.1	Confident	80.7	Confident	150 Å²	150	74.2 Å²	74.2	57%	0.566	38%	0.384	S	S	*	.	H	α-helix	trans	-57.7	-38.3	174.1	-78.8	-179.1	179.8	171.3	1.7	112.3	S68 R69 Q75 G76	S68-R72 WeakPolarHBondContact O-CG 3.45Å; S68-R72 PolarHBondContact O-N 3.46Å; S68-R72 VanDerWaalsContact O-N 3.11Å; R69-R72 WeakPolarHBondContact O-CB 3.38Å; R69-R72 PolarHBondContact O-N 2.91Å; R72-Q75 PolarHBondContact O-N 2.75Å; R72-G76 WeakPolarHBondContact O-CA 3.46Å; R72-G76 PolarHBondContact O-N 3.45Å
73	Y	83	Confident	80.9	Confident	30 Å²	30	75.7 Å²	75.7	12%	0.118	38%	0.384	C	S	.	.	H	α-helix	trans	-67.6	-40.3	176	-70.9	-25.7	0	0	0	113.7	R69 V70 W71 Q75 G77 L78 P79 L82 E86 L89	R69-Y73 WeakPolarHBondContact O-CD2 3.38Å; R69-Y73 PolarHBondContact O-N 2.91Å; V70-Y73 WeakPolarHBondContact O-CB 3.26Å; V70-Y73 PolarHBondContact O-N 3.02Å; W71-Y73 PolarHBondContact O-N 2.82Å; Y73-Q75 VanDerWaalsContact C-N 3.31Å; Y73-G77 CarbonylContact O-C 3.5Å; Y73-G77 VanDerWaalsContact O-C 3.25Å; Y73-G77 VanDerWaalsContact O-CA 3.31Å; Y73-G77 WeakPolarHBondContact O-CA 3.24Å; Y73-G77 PolarHBondContact O-N 3.06Å; Y73-L78 HydrophobicContact CG-CG 4.22Å; Y73-P79 HydrophobicContact CD1-CG 4.46Å; Y73-P79 VanDerWaalsContact CE1-CD 3.47Å; Y73-P79 HydrophobicContact CE1-CG 3.84Å; Y73-L82 HydrophobicContact CE2-CD1 4.42Å; Y73-E86 PolarHBondContact OH-OE1 2.86Å; Y73-E86 PolarHBondContact OH-OE2 3.03Å; Y73-L89 HydrophobicContact CE2-CD1 3.92Å
74	I	81.9	Confident	80.9	Confident	46 Å²	46	72.7 Å²	72.7	24%	0.236	39%	0.385	C	S	.	.	H	α-helix	trans	-64.3	-39.7	176	-66.6	165.2	0	0	0	110.2	V70 W71 L99 F101 I106	V70-I74 HydrophobicContact CG1-CD1 3.87Å; V70-I74 HydrophobicContact CG1-CG1 4.41Å; V70-I74 VanDerWaalsContact O-CG1 3.3Å; V70-I74 WeakPolarHBondContact O-CG1 3.31Å; V70-I74 PolarHBondContact O-N 3.08Å; W71-I74 PolarHBondContact O-N 3.34Å; W71-I74 VanDerWaalsContact O-N 3.17Å; I74-L99 HydrophobicContact CD1-CB 3.93Å; I74-L99 HydrophobicContact CG1-CB 4.3Å; I74-F101 HydrophobicContact CG2-CB 3.98Å; I74-I106 HydrophobicContact CD1-CG1 4.49Å; I74-I106 HydrophobicContact CD1-CG2 4.17Å
75	Q	80.9	Confident	80.9	Confident	119 Å²	119	76.2 Å²	76.2	56%	0.556	41%	0.411	S	S	*	.	H	α-helix	trans	-80.7	-43.8	-177.5	-68	-67.3	-52.1	0	0	113.9	W71 R72 Y73	W71-Q75 HydrophobicContact CD2-CG 4.47Å; W71-Q75 HydrophobicContact CZ2-CG 4.3Å; W71-Q75 WeakPolarHBondContact O-CG 3.41Å; W71-Q75 PolarHBondContact O-N 3.35Å; R72-Q75 PolarHBondContact O-N 2.75Å; Y73-Q75 VanDerWaalsContact C-N 3.31Å
76	G	78.7	Confident	80.8	Confident	71 Å²	71	70.1 Å²	70.1	73%	0.732	39%	0.389	S	S	*	.	H	α-helix	trans	-98.8	-3.3	-171.7	0	0	0	0	0	114.9	R72	R72-G76 WeakPolarHBondContact O-CA 3.46Å; R72-G76 PolarHBondContact O-N 3.45Å
77	G	76.3	Confident	80.9	Confident	47 Å²	47	74 Å²	74	49%	0.485	41%	0.407	S	S	.	.			trans	87.4	154.2	-170.8	0	0	0	0	0	112.6	Y73	Y73-G77 CarbonylContact O-C 3.5Å; Y73-G77 VanDerWaalsContact O-C 3.25Å; Y73-G77 VanDerWaalsContact O-CA 3.31Å; Y73-G77 WeakPolarHBondContact O-CA 3.24Å; Y73-G77 PolarHBondContact O-N 3.06Å
78	L	69.6	Low	80.8	Confident	53 Å²	53	76.1 Å²	76.1	28%	0.277	42%	0.421	S	S	.	.			trans	-87.3	141.4	-177.8	-84.1	87	0	0	0	112.2	Y73 Y93 R96	Y73-L78 HydrophobicContact CG-CG 4.22Å; L78-Y93 HydrophobicContact CB-CE2 4.24Å; L78-Y93 HydrophobicContact CD2-CD2 3.26Å; L78-Y93 HydrophobicContact CD2-CE2 3.48Å; L78-Y93 VanDerWaalsContact CD2-CE2 3.48Å; L78-Y93 HydrophobicContact CD2-CG 4.11Å; L78-Y93 HydrophobicContact CG-CD2 4.48Å; L78-Y93 HydrophobicContact CG-CE2 4.41Å; L78-R96 HydrophobicContact CD1-CB 3.98Å; L78-R96 HydrophobicContact CD1-CG 4.46Å; L78-R96 HydrophobicContact CD2-CB 3.68Å; L78-R96 HydrophobicContact CD2-CG 4.08Å; L78-R96 HydrophobicContact CG-CB 4.47Å
79	P	71.2	Confident	80.9	Confident	50 Å²	50	74.5 Å²	74.5	33%	0.325	41%	0.41	S	S	.	.			trans	-61.4	147.2	165.9	28.8	-33.9	0	0	0	109.3	Y73 R81 Y93	Y73-P79 HydrophobicContact CD1-CG 4.46Å; Y73-P79 VanDerWaalsContact CE1-CD 3.47Å; Y73-P79 HydrophobicContact CE1-CG 3.84Å; P79-R81 PolarHBondContact O-N 3.36Å; P79-R81 VanDerWaalsContact O-N 3.16Å; P79-Y93 WeakPolarHBondContact O-CE2 3.36Å; P79-Y93 PolarHBondContact O-OH 3.45Å; P79-Y93 VanDerWaalsContact O-OH 3.11Å
80	G	75.3	Confident	81	Confident	78 Å²	78	74.5 Å²	74.5	80%	0.804	41%	0.41	S	S	*	.	S	Bend	trans	-63.7	-19.1	178.2	0	0	0	0	0	113.6	Y93	G80-Y93 PolarHBondContact O-OH 3.19Å; G80-Y93 VanDerWaalsContact O-OH 3.12Å
81	R	79.1	Confident	81.1	Confident	207 Å²	207	79.3 Å²	79.3	78%	0.781	43%	0.428	S	S	*	.	S	Bend	trans	-142.4	135.6	179.1	-177.9	173.2	174.8	168.5	-0.9	109.7	P79	P79-R81 PolarHBondContact O-N 3.36Å; P79-R81 VanDerWaalsContact O-N 3.16Å
82	L	82	Confident	81.2	Confident	23 Å²	23	75.7 Å²	75.7	12%	0.12	41%	0.414	C	S	.	.			trans	-75.9	138.7	172.9	-165.1	67	0	0	0	109.9	Y73 E86 L89 R90 Y93	Y73-L82 HydrophobicContact CE2-CD1 4.42Å; L82-E86 HydrophobicContact CD1-CB 3.65Å; L82-E86 HydrophobicContact CD2-CB 4.48Å; L82-E86 VanDerWaalsContact CD2-O 3.31Å; L82-E86 WeakPolarHBondContact CD2-O 3.23Å; L82-E86 HydrophobicContact CG-CB 3.82Å; L82-L89 HydrophobicContact CD1-CB 4.3Å; L82-R90 HydrophobicContact CD2-CB 3.92Å; L82-Y93 HydrophobicContact CD1-CD2 4.25Å
83	E	82.9	Confident	81.4	Confident	127 Å²	127	70.6 Å²	70.6	59%	0.593	40%	0.395	S	S	*	.			trans	-71.3	152.1	174.4	-64.2	-176.2	-168.3	0	0	111	S85 E86	E83-S85 WeakPolarHBondContact CB-OG 2.99Å; E83-S85 PolarHBondContact O-N 3.18Å; E83-S85 PolarHBondContact OE2-OG 2.95Å; E83-E86 HydrophobicContact CB-CG 4.32Å; E83-E86 PolarHBondContact O-N 3.11Å
84	S	81.1	Confident	81.6	Confident	115 Å²	115	75 Å²	75	80%	0.804	42%	0.417	S	S	*	.	G	3₁₀ helix	trans	-61.3	-24.7	177.6	-50.1	0	0	0	0	113	E86	S84-E86 PolarHBondContact O-N 3.35Å
85	S	81.7	Confident	81.8	Confident	84 Å²	84	79.1 Å²	79.1	59%	0.587	43%	0.429	S	S	*	.	G	3₁₀ helix	trans	-70.3	-19	174.2	50.2	0	0	0	0	113.2	E83	E83-S85 WeakPolarHBondContact CB-OG 2.99Å; E83-S85 PolarHBondContact O-N 3.18Å; E83-S85 PolarHBondContact OE2-OG 2.95Å
86	E	83.1	Confident	82	Confident	16 Å²	16	78.3 Å²	78.3	8%	0.075	42%	0.421	C	S	.	.	G	3₁₀ helix	trans	-107.4	20.5	-171.1	-66.3	178	138.3	0	0	112.1	Y73 L82 E83 S84 S88 L89	Y73-E86 PolarHBondContact OH-OE1 2.86Å; Y73-E86 PolarHBondContact OH-OE2 3.03Å; L82-E86 HydrophobicContact CD1-CB 3.65Å; L82-E86 HydrophobicContact CD2-CB 4.48Å; L82-E86 VanDerWaalsContact CD2-O 3.31Å; L82-E86 WeakPolarHBondContact CD2-O 3.23Å; L82-E86 HydrophobicContact CG-CB 3.82Å; E83-E86 HydrophobicContact CB-CG 4.32Å; E83-E86 PolarHBondContact O-N 3.11Å; S84-E86 PolarHBondContact O-N 3.35Å; E86-S88 PolarHBondContact O-N 3.12Å; E86-L89 HydrophobicContact CB-CD1 4.08Å; E86-L89 HydrophobicContact CB-CG 4.34Å; E86-L89 HydrophobicContact CG-CD1 4.24Å; E86-L89 WeakPolarHBondContact O-CA 3.42Å; E86-L89 VanDerWaalsContact O-CB 3.26Å; E86-L89 WeakPolarHBondContact O-CB 3.46Å; E86-L89 PolarHBondContact O-N 3.17Å
87	E	84.8	Confident	82.3	Confident	91 Å²	91	81.8 Å²	81.8	43%	0.425	42%	0.418	S	S	.	.	G	3₁₀ helix	trans	-48.1	-39.5	-179.2	-176.4	56.9	-151.6	0	0	113.7	L89 R90	E87-L89 PolarHBondContact O-N 3.33Å; E87-R90 VanDerWaalsContact CD-NH1 3.3Å; E87-R90 WeakPolarHBondContact O-CB 3.47Å; E87-R90 PolarHBondContact O-N 2.62Å; E87-R90 IonicContact OE1-CZ 2.87Å; E87-R90 IonicContact OE1-NE 2.98Å; E87-R90 IonicContact OE1-NH1 2.56Å; E87-R90 PolarHBondContact OE1-NH1 3.3Å; E87-R90 IonicContact OE1-NH2 3.76Å; E87-R90 PolarHBondContact OE1-NH2 2.87Å; E87-R90 IonicContact OE2-CZ 3.31Å; E87-R90 IonicContact OE2-NE 2.69Å; E87-R90 IonicContact OE2-NH1 3.6Å; E87-R90 PolarHBondContact OE2-NH1 2.93Å; E87-R90 IonicContact OE2-NH2 2.95Å; E87-R90 PolarHBondContact OE2-NH2 3.21Å
88	S	84.1	Confident	82.9	Confident	44 Å²	44	82.1 Å²	82.1	31%	0.308	41%	0.408	S	S	.	.	G	3₁₀ helix	trans	-67.8	-19.2	-179.8	73.5	0	0	0	0	113.7	W65 E66 E86	W65-S88 WeakPolarHBondContact CH2-OG 3.47Å; E66-S88 WeakPolarHBondContact OE1-CB 3.44Å; E66-S88 PolarHBondContact OE1-OG 3.39Å; E86-S88 PolarHBondContact O-N 3.12Å
89	L	86.1	Confident	83.7	Confident	1 Å²	1	80.4 Å²	80.4	1%	0.005	40%	0.399	C	S	.	.	G	3₁₀ helix	trans	-83.3	-10.7	174.5	-54.5	-173.8	0	0	0	112.9	E66 R69 V70 Y73 L82 E86 E87 R91 Y92 Y93	E66-L89 HydrophobicContact CB-CD2 3.66Å; E66-L89 HydrophobicContact CG-CD2 4.07Å; R69-L89 HydrophobicContact CB-CD1 3.56Å; R69-L89 HydrophobicContact CG-CD1 4.26Å; V70-L89 HydrophobicContact CG2-CD2 4.01Å; Y73-L89 HydrophobicContact CE2-CD1 3.92Å; L82-L89 HydrophobicContact CD1-CB 4.3Å; E86-L89 HydrophobicContact CB-CD1 4.08Å; E86-L89 HydrophobicContact CB-CG 4.34Å; E86-L89 HydrophobicContact CG-CD1 4.24Å; E86-L89 WeakPolarHBondContact O-CA 3.42Å; E86-L89 VanDerWaalsContact O-CB 3.26Å; E86-L89 WeakPolarHBondContact O-CB 3.46Å; E86-L89 PolarHBondContact O-N 3.17Å; E87-L89 PolarHBondContact O-N 3.33Å; L89-R91 VanDerWaalsContact C-N 3.26Å; L89-R91 PolarHBondContact O-N 3.19Å; L89-Y92 HydrophobicContact CD2-CD2 4.29Å; L89-Y92 WeakPolarHBondContact O-CA 3.36Å; L89-Y92 WeakPolarHBondContact O-CB 3.18Å; L89-Y92 PolarHBondContact O-N 3.36Å; L89-Y93 PolarHBondContact O-N 3.46Å
90	R	87.9	Confident	84.4	Confident	110 Å²	110	81.6 Å²	81.6	42%	0.415	41%	0.405	S	S	.	.	H	α-helix	trans	-52.7	-43	-176	-179.5	171.5	-66.7	156.9	3.3	112.9	L82 E87 Y92 Y93 E94	L82-R90 HydrophobicContact CD2-CB 3.92Å; E87-R90 VanDerWaalsContact CD-NH1 3.3Å; E87-R90 WeakPolarHBondContact O-CB 3.47Å; E87-R90 PolarHBondContact O-N 2.62Å; E87-R90 IonicContact OE1-CZ 2.87Å; E87-R90 IonicContact OE1-NE 2.98Å; E87-R90 IonicContact OE1-NH1 2.56Å; E87-R90 PolarHBondContact OE1-NH1 3.3Å; E87-R90 IonicContact OE1-NH2 3.76Å; E87-R90 PolarHBondContact OE1-NH2 2.87Å; E87-R90 IonicContact OE2-CZ 3.31Å; E87-R90 IonicContact OE2-NE 2.69Å; E87-R90 IonicContact OE2-NH1 3.6Å; E87-R90 PolarHBondContact OE2-NH1 2.93Å; E87-R90 IonicContact OE2-NH2 2.95Å; E87-R90 PolarHBondContact OE2-NH2 3.21Å; R90-Y92 PolarHBondContact O-N 3.5Å; R90-Y93 WeakPolarHBondContact O-CB 3.41Å; R90-Y93 PolarHBondContact O-N 3.3Å; R90-Y93 VanDerWaalsContact O-N 3.1Å; R90-E94 HydrophobicContact CG-CG 4.23Å; R90-E94 WeakPolarHBondContact CG-OE1 3.39Å; R90-E94 WeakPolarHBondContact O-CG 3.44Å; R90-E94 PolarHBondContact O-N 2.99Å
91	R	86.6	Confident	84.7	Confident	105 Å²	105	80.7 Å²	80.7	40%	0.396	38%	0.379	S	S	.	.	H	α-helix	trans	-58.7	-33.1	177	63.7	-178.7	175	-176.1	-7.1	113.7	E66 L89	E66-R91 IonicContact OE2-NH2 3.42Å; E66-R91 PolarHBondContact OE2-NH2 3.44Å; E66-R91 VanDerWaalsContact OE2-NH2 3.12Å; L89-R91 VanDerWaalsContact C-N 3.26Å; L89-R91 PolarHBondContact O-N 3.19Å
92	Y	86.5	Confident	84.7	Confident	23 Å²	23	73.5 Å²	73.5	9%	0.09	36%	0.356	C	S	.	.	H	α-helix	trans	-82.6	-37	176.4	-57.8	-62.6	0	0	0	110.4	F67 V70 L89 R90 R95 R96 L99 V116 R122	F67-Y92 HydrophobicContact CD1-CE2 4.42Å; F67-Y92 HydrophobicContact CE1-CE1 4.3Å; F67-Y92 AromaticContact CE1-CE2 3.89Å; F67-Y92 HydrophobicContact CE1-CE2 3.89Å; F67-Y92 AromaticContact CE1-CZ 3.54Å; F67-Y92 WeakPolarHBondContact CE1-OH 3.49Å; V70-Y92 HydrophobicContact CG2-CD2 3.61Å; V70-Y92 HydrophobicContact CG2-CE2 4.42Å; V70-Y92 HydrophobicContact CG2-CG 3.75Å; L89-Y92 HydrophobicContact CD2-CD2 4.29Å; L89-Y92 WeakPolarHBondContact O-CA 3.36Å; L89-Y92 WeakPolarHBondContact O-CB 3.18Å; L89-Y92 PolarHBondContact O-N 3.36Å; R90-Y92 PolarHBondContact O-N 3.5Å; Y92-R95 CarbonylContact O-C 3.51Å; Y92-R95 PolarHBondContact O-N 3.09Å; Y92-R96 WeakPolarHBondContact O-CA 3.13Å; Y92-R96 PolarHBondContact O-N 3.28Å; Y92-L99 HydrophobicContact CD1-CD1 4.45Å; Y92-L99 WeakPolarHBondContact O-CD1 3.43Å; Y92-V116 HydrophobicContact CE1-CG1 3.69Å; Y92-R122 PolarHBondContact OH-NH2 2.81Å
93	Y	85.7	Confident	84.6	Confident	42 Å²	42	78.8 Å²	78.8	17%	0.165	38%	0.38	C	S	.	.	H	α-helix	trans	-60.5	-47.6	176	-175.9	-88.6	0	0	0	112.2	L78 P79 G80 L82 L89 R90 R95 R96	L78-Y93 HydrophobicContact CB-CE2 4.24Å; L78-Y93 HydrophobicContact CD2-CD2 3.26Å; L78-Y93 HydrophobicContact CD2-CE2 3.48Å; L78-Y93 VanDerWaalsContact CD2-CE2 3.48Å; L78-Y93 HydrophobicContact CD2-CG 4.11Å; L78-Y93 HydrophobicContact CG-CD2 4.48Å; L78-Y93 HydrophobicContact CG-CE2 4.41Å; P79-Y93 WeakPolarHBondContact O-CE2 3.36Å; P79-Y93 PolarHBondContact O-OH 3.45Å; P79-Y93 VanDerWaalsContact O-OH 3.11Å; G80-Y93 PolarHBondContact O-OH 3.19Å; G80-Y93 VanDerWaalsContact O-OH 3.12Å; L82-Y93 HydrophobicContact CD1-CD2 4.25Å; L89-Y93 PolarHBondContact O-N 3.46Å; R90-Y93 WeakPolarHBondContact O-CB 3.41Å; R90-Y93 PolarHBondContact O-N 3.3Å; R90-Y93 VanDerWaalsContact O-N 3.1Å; Y93-R95 PolarHBondContact O-N 3.05Å; Y93-R96 VanDerWaalsContact O-CB 3.24Å; Y93-R96 WeakPolarHBondContact O-CB 3.4Å; Y93-R96 VanDerWaalsContact O-CD 3.31Å; Y93-R96 WeakPolarHBondContact O-CD 2.98Å; Y93-R96 WeakPolarHBondContact O-CG 3.2Å; Y93-R96 PolarHBondContact O-N 3.5Å; Y93-R96 PolarHBondContact OH-NH1 2.99Å; Y93-R96 VanDerWaalsContact OH-NH1 3.11Å
94	E	87.2	Confident	84.4	Confident	123 Å²	123	73.4 Å²	73.4	58%	0.575	36%	0.359	S	S	*	.	H	α-helix	trans	-61.5	-35	178.3	-72.6	172.2	-179.3	0	0	112.1	R90 H97	R90-E94 HydrophobicContact CG-CG 4.23Å; R90-E94 WeakPolarHBondContact CG-OE1 3.39Å; R90-E94 WeakPolarHBondContact O-CG 3.44Å; R90-E94 PolarHBondContact O-N 2.99Å; E94-H97 PolarHBondContact O-CE1 2.92Å
95	R	87.4	Confident	84.5	Confident	132 Å²	132	68.4 Å²	68.4	50%	0.498	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	14.8	-179.2	-61.1	-178.7	-178	-175.3	-0.8	113.3	Y92 Y93 H97 M98 L99 L108	Y92-R95 CarbonylContact O-C 3.51Å; Y92-R95 PolarHBondContact O-N 3.09Å; Y93-R95 PolarHBondContact O-N 3.05Å; R95-H97 PolarHBondContact O-N 3.47Å; R95-H97 VanDerWaalsContact O-N 3.08Å; R95-M98 WeakPolarHBondContact O-CA 3.31Å; R95-M98 VanDerWaalsContact O-CB 3.29Å; R95-M98 WeakPolarHBondContact O-CB 3.48Å; R95-M98 PolarHBondContact O-N 3.29Å; R95-L99 PolarHBondContact O-N 2.92Å; R95-L108 HydrophobicContact CB-CD1 4.1Å
96	R	85	Confident	84.7	Confident	103 Å²	103	64.4 Å²	64.4	39%	0.389	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-53.8	-34.5	-173.7	66	-170.5	-176.9	174.9	-0.2	115.1	L78 Y92 Y93 M98 L99	L78-R96 HydrophobicContact CD1-CB 3.98Å; L78-R96 HydrophobicContact CD1-CG 4.46Å; L78-R96 HydrophobicContact CD2-CB 3.68Å; L78-R96 HydrophobicContact CD2-CG 4.08Å; L78-R96 HydrophobicContact CG-CB 4.47Å; Y92-R96 WeakPolarHBondContact O-CA 3.13Å; Y92-R96 PolarHBondContact O-N 3.28Å; Y93-R96 VanDerWaalsContact O-CB 3.24Å; Y93-R96 WeakPolarHBondContact O-CB 3.4Å; Y93-R96 VanDerWaalsContact O-CD 3.31Å; Y93-R96 WeakPolarHBondContact O-CD 2.98Å; Y93-R96 WeakPolarHBondContact O-CG 3.2Å; Y93-R96 PolarHBondContact O-N 3.5Å; Y93-R96 PolarHBondContact OH-NH1 2.99Å; Y93-R96 VanDerWaalsContact OH-NH1 3.11Å; R96-M98 PolarHBondContact O-N 3.4Å; R96-L99 PolarHBondContact O-N 2.94Å
97	H	84.2	Confident	84.8	Confident	143 Å²	143	65.4 Å²	65.4	66%	0.662	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	-72.7	-16.2	179.5	59.7	-82.5	0	0	0	112.9	E94 R95	E94-H97 PolarHBondContact O-CE1 2.92Å; R95-H97 PolarHBondContact O-N 3.47Å; R95-H97 VanDerWaalsContact O-N 3.08Å
98	M	88.5	Confident	84.9	Confident	55 Å²	55	62.1 Å²	62.1	27%	0.271	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-97.4	-6.4	175	-60.5	-178.4	-164.1	0	0	111.9	R95 R96 L108 D109	R95-M98 WeakPolarHBondContact O-CA 3.31Å; R95-M98 VanDerWaalsContact O-CB 3.29Å; R95-M98 WeakPolarHBondContact O-CB 3.48Å; R95-M98 PolarHBondContact O-N 3.29Å; R96-M98 PolarHBondContact O-N 3.4Å; M98-L108 HydrophobicContact CB-CD1 3.63Å; M98-L108 WeakPolarHBondContact O-CA 3.12Å; M98-L108 HydrophobicContact SD-CD1 4.49Å; M98-D109 WeakPolarHBondContact CB-O 3.44Å; M98-D109 WeakPolarHBondContact CG-O 3.43Å; M98-D109 PolarHBondContact O-N 3.29Å
99	L	88.3	Confident	84.8	Confident	16 Å²	16	64.1 Å²	64.1	8%	0.084	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	128.9	-176.4	-67.5	176.2	0	0	0	110.4	V70 I74 Y92 R95 R96 I106 L107 L108 V116	V70-L99 HydrophobicContact CG1-CD1 3.92Å; I74-L99 HydrophobicContact CD1-CB 3.93Å; I74-L99 HydrophobicContact CG1-CB 4.3Å; Y92-L99 HydrophobicContact CD1-CD1 4.45Å; Y92-L99 WeakPolarHBondContact O-CD1 3.43Å; R95-L99 PolarHBondContact O-N 2.92Å; R96-L99 PolarHBondContact O-N 2.94Å; L99-I106 HydrophobicContact CD2-CG2 3.95Å; L99-L107 WeakPolarHBondContact CA-O 3.32Å; L99-L108 HydrophobicContact CD2-CB 4.13Å; L99-L108 HydrophobicContact CD2-CD1 3.75Å; L99-L108 HydrophobicContact CG-CD1 4.43Å; L99-V116 HydrophobicContact CD2-CG2 4.25Å
100	T	84.7	Confident	84.4	Confident	76 Å²	76	66.5 Å²	66.5	47%	0.466	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	151.8	174.9	-55.8	0	0	0	0	109.3	L107	T100-L107 PolarHBondContact N-O 3.41Å; T100-L107 PolarHBondContact O-N 3.08Å
101	F	82.4	Confident	84	Confident	58 Å²	58	68.6 Å²	68.6	25%	0.254	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	130.2	177.4	177.8	-101.4	0	0	0	110.2	W71 I74 V105 I106	W71-F101 AromaticContact CD1-CD2 3.37Å; W71-F101 AromaticContact CD1-CE1 3.97Å; W71-F101 AromaticContact CD1-CE2 3.24Å; W71-F101 AromaticContact CD1-CG 3.74Å; W71-F101 AromaticContact CD1-CZ 3.54Å; W71-F101 HydrophobicContact CG-CD2 4.48Å; W71-F101 HydrophobicContact CG-CE2 4.22Å; W71-F101 AromaticContact NE1-CD1 3.72Å; W71-F101 AromaticContact NE1-CD2 3.81Å; W71-F101 AromaticContact NE1-CE1 3.34Å; W71-F101 VanDerWaalsContact NE1-CE1 3.34Å; W71-F101 AromaticContact NE1-CE2 3.41Å; W71-F101 AromaticContact NE1-CG 3.91Å; W71-F101 AromaticContact NE1-CZ 3.13Å; I74-F101 HydrophobicContact CG2-CB 3.98Å; F101-V105 WeakPolarHBondContact CA-O 3.49Å; F101-V105 WeakPolarHBondContact CD2-O 3.44Å; F101-I106 HydrophobicContact CD2-CG1 4.31Å
102	L	79.2	Confident	83.5	Confident	57 Å²	57	69 Å²	69	30%	0.298	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	125.8	-177.5	-178.3	70.1	0	0	0	110	I43 G104 V105 L107	I43-L102 HydrophobicContact CB-CD2 4.44Å; I43-L102 HydrophobicContact CD1-CD1 4.39Å; I43-L102 HydrophobicContact CD1-CD2 3.38Å; I43-L102 HydrophobicContact CD1-CG 4.44Å; I43-L102 HydrophobicContact CG1-CD2 3.65Å; I43-L102 HydrophobicContact CG2-CD2 3.91Å; L102-G104 PolarHBondContact O-N 2.81Å; L102-V105 PolarHBondContact N-O 3.49Å; L102-V105 WeakPolarHBondContact O-CA 3.39Å; L102-V105 WeakPolarHBondContact O-CB 3.42Å; L102-V105 PolarHBondContact O-N 3.41Å; L102-L107 HydrophobicContact CB-CD1 4.03Å; L102-L107 HydrophobicContact CD2-CD1 4Å
103	Q	78.7	Confident	83.1	Confident	133 Å²	133	72.4 Å²	72.4	62%	0.621	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.3	35.4	176.4	-61	-177.3	6	0	0	115.3	V105	Q103-V105 VanDerWaalsContact C-N 3.34Å
104	G	78.4	Confident	83	Confident	14 Å²	14	77.7 Å²	77.7	14%	0.144	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	88.7	-2.9	-177.8	0	0	0	0	0	115	A58 T61 L102	A58-G104 WeakPolarHBondContact CA-O 2.94Å; T61-G104 WeakPolarHBondContact CG2-O 3.34Å; L102-G104 PolarHBondContact O-N 2.81Å
105	V	83.2	Confident	82.9	Confident	10 Å²	10	73.5 Å²	73.5	6%	0.061	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	140.4	-177.3	178.9	0	0	0	0	110.3	A54 L57 A58 F101 L102 Q103 L107 V115	A54-V105 HydrophobicContact CB-CG2 4.35Å; L57-V105 HydrophobicContact CB-CG2 4.25Å; L57-V105 HydrophobicContact CD2-CB 4.39Å; L57-V105 HydrophobicContact CD2-CG1 3.58Å; L57-V105 HydrophobicContact CD2-CG2 3.91Å; L57-V105 HydrophobicContact CG-CG2 4.26Å; A58-V105 HydrophobicContact CB-CG2 4.47Å; F101-V105 WeakPolarHBondContact CA-O 3.49Å; F101-V105 WeakPolarHBondContact CD2-O 3.44Å; L102-V105 PolarHBondContact N-O 3.49Å; L102-V105 WeakPolarHBondContact O-CA 3.39Å; L102-V105 WeakPolarHBondContact O-CB 3.42Å; L102-V105 PolarHBondContact O-N 3.41Å; Q103-V105 VanDerWaalsContact C-N 3.34Å; V105-L107 HydrophobicContact CG1-CD2 4.18Å; V105-V115 HydrophobicContact CG1-CG1 3.44Å; V105-V115 VanDerWaalsContact CG1-CG1 3.44Å
106	I	85.9	Confident	82.8	Confident	1 Å²	1	68 Å²	68	1%	0.005	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	126.8	174	-59.2	171.4	0	0	0	108.2	T61 F67 V70 I74 L99 F101 V116	T61-I106 HydrophobicContact CG2-CD1 4.22Å; T61-I106 HydrophobicContact CG2-CG1 4.32Å; F67-I106 HydrophobicContact CB-CD1 4.02Å; F67-I106 HydrophobicContact CD2-CD1 4.12Å; F67-I106 HydrophobicContact CG-CD1 4.08Å; V70-I106 HydrophobicContact CB-CD1 4.2Å; V70-I106 HydrophobicContact CG1-CD1 3.95Å; I74-I106 HydrophobicContact CD1-CG1 4.49Å; I74-I106 HydrophobicContact CD1-CG2 4.17Å; L99-I106 HydrophobicContact CD2-CG2 3.95Å; F101-I106 HydrophobicContact CD2-CG1 4.31Å; I106-V116 HydrophobicContact CB-CB 4.11Å; I106-V116 HydrophobicContact CB-CG2 4.37Å; I106-V116 HydrophobicContact CG2-CB 4.07Å; I106-V116 HydrophobicContact CG2-CG2 3.84Å; I106-V116 WeakPolarHBondContact O-CB 3.38Å; I106-V116 PolarHBondContact O-N 3.12Å
107	L	86.7	Confident	82.9	Confident	37 Å²	37	64.4 Å²	64.4	19%	0.194	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	143.1	175.1	-56.5	179.5	0	0	0	109.5	L99 T100 L102 V105 R114 V115	L99-L107 WeakPolarHBondContact CA-O 3.32Å; T100-L107 PolarHBondContact N-O 3.41Å; T100-L107 PolarHBondContact O-N 3.08Å; L102-L107 HydrophobicContact CB-CD1 4.03Å; L102-L107 HydrophobicContact CD2-CD1 4Å; V105-L107 HydrophobicContact CG1-CD2 4.18Å; L107-R114 CarbonylContact C-O 3.25Å; L107-R114 VanDerWaalsContact CA-O 3.3Å; L107-R114 WeakPolarHBondContact CA-O 3.22Å; L107-V115 HydrophobicContact CD2-CB 4.48Å; L107-V115 HydrophobicContact CD2-CG2 3.86Å
108	L	85.7	Confident	82.9	Confident	22 Å²	22	57.6 Å²	57.6	12%	0.115	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	114.8	170.1	177.2	69.2	0	0	0	108.4	R95 M98 L99 R114 V116	R95-L108 HydrophobicContact CB-CD1 4.1Å; M98-L108 HydrophobicContact CB-CD1 3.63Å; M98-L108 WeakPolarHBondContact O-CA 3.12Å; M98-L108 HydrophobicContact SD-CD1 4.49Å; L99-L108 HydrophobicContact CD2-CB 4.13Å; L99-L108 HydrophobicContact CD2-CD1 3.75Å; L99-L108 HydrophobicContact CG-CD1 4.43Å; L108-R114 PolarHBondContact N-O 3.17Å; L108-R114 PolarHBondContact O-N 3.46Å; L108-V116 HydrophobicContact CB-CG2 3.87Å
109	D	83.3	Confident	82.7	Confident	85 Å²	85	60.6 Å²	60.6	46%	0.455	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	101.1	176.7	-170.9	11.8	0	0	0	110.7	M98	M98-D109 WeakPolarHBondContact CB-O 3.44Å; M98-D109 WeakPolarHBondContact CG-O 3.43Å; M98-D109 PolarHBondContact O-N 3.29Å
110	S	77.2	Confident	82.3	Confident	51 Å²	51	63.8 Å²	63.8	36%	0.357	34%	0.343	S	S	.	.	S	Bend	trans	-120	-18	-179.3	54.7	0	0	0	0	114.1
111	N	80.1	Confident	82.2	Confident	154 Å²	154	60.5 Å²	60.5	82%	0.824	32%	0.324	S	S	*	.	S	Bend	trans	-179.8	-39.3	-179	-89.8	-19	0	0	0	108.4
112	N	75.4	Confident	82.5	Confident	113 Å²	113	61.6 Å²	61.6	60%	0.604	33%	0.326	S	S	*	.	S	Bend	trans	-127.7	143.3	168.4	-66.9	-12.6	0	0	0	107.9	R114	N112-R114 PolarHBondContact O-N 3.48Å
113	S	77.6	Confident	82.7	Confident	95 Å²	95	67.3 Å²	67.3	66%	0.664	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.7	119.6	173.1	-49.5	0	0	0	0	110
114	R	84.8	Confident	82.9	Confident	154 Å²	154	65.7 Å²	65.7	58%	0.581	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.8	145.9	177.8	-64.6	179.4	-175.7	-155.6	0	110.2	L107 L108 N112	L107-R114 CarbonylContact C-O 3.25Å; L107-R114 VanDerWaalsContact CA-O 3.3Å; L107-R114 WeakPolarHBondContact CA-O 3.22Å; L108-R114 PolarHBondContact N-O 3.17Å; L108-R114 PolarHBondContact O-N 3.46Å; N112-R114 PolarHBondContact O-N 3.48Å
115	V	84.7	Confident	83.2	Confident	35 Å²	35	65.6 Å²	65.6	21%	0.212	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	129.6	173.9	-176.7	0	0	0	0	109.8	V46 F50 L57 V105 L107 I117	V46-V115 HydrophobicContact CG1-CG2 4.43Å; F50-V115 HydrophobicContact CE2-CB 4.5Å; F50-V115 HydrophobicContact CZ-CG1 4.43Å; L57-V115 HydrophobicContact CD2-CG1 3.21Å; V105-V115 HydrophobicContact CG1-CG1 3.44Å; V105-V115 VanDerWaalsContact CG1-CG1 3.44Å; L107-V115 HydrophobicContact CD2-CB 4.48Å; L107-V115 HydrophobicContact CD2-CG2 3.86Å; V115-I117 HydrophobicContact CB-CD1 4.29Å; V115-I117 HydrophobicContact CG1-CD1 3.89Å
116	V	85.7	Confident	83.3	Confident	17 Å²	17	69.9 Å²	69.9	10%	0.103	36%	0.356	C	S	.	.	P	Polyproline II helix	trans	-84.5	118.6	176.7	-173.4	0	0	0	0	109.3	F67 Y92 L99 I106 L108	F67-V116 HydrophobicContact CE1-CG1 4.23Å; F67-V116 HydrophobicContact CE2-CB 4.41Å; F67-V116 HydrophobicContact CE2-CG1 3.77Å; F67-V116 HydrophobicContact CZ-CG1 3.44Å; F67-V116 VanDerWaalsContact CZ-CG1 3.44Å; Y92-V116 HydrophobicContact CE1-CG1 3.69Å; L99-V116 HydrophobicContact CD2-CG2 4.25Å; I106-V116 HydrophobicContact CB-CB 4.11Å; I106-V116 HydrophobicContact CB-CG2 4.37Å; I106-V116 HydrophobicContact CG2-CB 4.07Å; I106-V116 HydrophobicContact CG2-CG2 3.84Å; I106-V116 WeakPolarHBondContact O-CB 3.38Å; I106-V116 PolarHBondContact O-N 3.12Å; L108-V116 HydrophobicContact CB-CG2 3.87Å
117	I	86	Confident	83.1	Confident	27 Å²	27	72.1 Å²	72.1	14%	0.138	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-92.6	122.1	-173.8	-49.7	-52.7	0	0	0	111.8	F50 L57 F67 V115 A121 R122 V125	F50-I117 HydrophobicContact CE1-CD1 4.41Å; F50-I117 HydrophobicContact CE2-CD1 3.99Å; F50-I117 HydrophobicContact CZ-CD1 3.41Å; F50-I117 VanDerWaalsContact CZ-CD1 3.41Å; L57-I117 HydrophobicContact CD1-CD1 4.16Å; L57-I117 HydrophobicContact CD2-CD1 4.32Å; F67-I117 VanDerWaalsContact CE2-C 3.42Å; F67-I117 WeakPolarHBondContact CZ-O 3.45Å; V115-I117 HydrophobicContact CB-CD1 4.29Å; V115-I117 HydrophobicContact CG1-CD1 3.89Å; I117-A121 HydrophobicContact CG2-CB 3.89Å; I117-R122 HydrophobicContact CB-CG 4.12Å; I117-R122 HydrophobicContact CG2-CB 4.41Å; I117-R122 HydrophobicContact CG2-CG 3.75Å; I117-R122 PolarHBondContact O-NE 2.91Å; I117-V125 HydrophobicContact CD1-CG2 4.39Å; I117-V125 HydrophobicContact CG1-CG2 4.44Å; I117-V125 HydrophobicContact CG2-CB 4.5Å; I117-V125 HydrophobicContact CG2-CG2 3.83Å
118	P	84.8	Confident	82.7	Confident	0 Å²	0	75.5 Å²	75.5	0%	0	38%	0.382	C	S	.	.	P	Polyproline II helix	trans	-65.6	150.9	177.6	26.3	-30.4	0	0	0	110.1	L57 A60 D64 F67 C120 A121 R122	L57-P118 HydrophobicContact CD1-CG 3.88Å; A60-P118 HydrophobicContact CB-CG 3.61Å; D64-P118 HydrophobicContact CB-CB 3.93Å; D64-P118 WeakPolarHBondContact OD2-CB 3.46Å; F67-P118 HydrophobicContact CD2-CB 3.64Å; F67-P118 HydrophobicContact CD2-CG 4.41Å; F67-P118 HydrophobicContact CE2-CB 3.64Å; F67-P118 HydrophobicContact CE2-CG 4.3Å; F67-P118 HydrophobicContact CG-CB 4.43Å; F67-P118 HydrophobicContact CZ-CB 4.36Å; P118-C120 PolarHBondContact O-N 2.93Å; P118-C120 VanDerWaalsContact O-N 3.11Å; P118-A121 HydrophobicContact CG-CB 3.88Å; P118-A121 PolarHBondContact O-N 3.11Å; P118-R122 WeakPolarHBondContact O-CG 3.3Å; P118-R122 PolarHBondContact O-N 3.47Å; P118-R122 VanDerWaalsContact O-N 3.17Å
119	Q	83.2	Confident	82.4	Confident	117 Å²	117	78.8 Å²	78.8	55%	0.547	40%	0.399	S	S	.	.	H	α-helix	trans	-57.5	-36.5	-168.9	-172.8	177.8	1.7	0	0	112.4	D64 A121 R122	D64-Q119 PolarHBondContact OD2-N 2.87Å; Q119-A121 VanDerWaalsContact C-N 3.35Å; Q119-A121 PolarHBondContact O-N 3.43Å; Q119-R122 PolarHBondContact O-N 3.17Å
120	C	81.4	Confident	82.2	Confident	83 Å²	83	80.4 Å²	80.4	56%	0.561	41%	0.408	S	S	*	.	H	α-helix	trans	-65.9	-32.5	177.8	58.3	0	0	0	0	113.6	P118	P118-C120 PolarHBondContact O-N 2.93Å; P118-C120 VanDerWaalsContact O-N 3.11Å
121	A	83	Confident	82	Confident	7 Å²	7	83.9 Å²	83.9	6%	0.058	42%	0.418	C	S	.	.	H	α-helix	trans	-89.1	-16.1	-178.7	0	0	0	0	0	113.1	L57 A60 I117 P118 Q119 K123 Y124 V125	L57-A121 HydrophobicContact CD1-CB 4.26Å; A60-A121 HydrophobicContact CB-CB 4.34Å; I117-A121 HydrophobicContact CG2-CB 3.89Å; P118-A121 HydrophobicContact CG-CB 3.88Å; P118-A121 PolarHBondContact O-N 3.11Å; Q119-A121 VanDerWaalsContact C-N 3.35Å; Q119-A121 PolarHBondContact O-N 3.43Å; A121-K123 VanDerWaalsContact C-N 3.32Å; A121-K123 PolarHBondContact O-N 2.92Å; A121-Y124 PolarHBondContact O-N 3.4Å; A121-Y124 VanDerWaalsContact O-N 3.12Å; A121-V125 WeakPolarHBondContact O-CG2 3.32Å; A121-V125 PolarHBondContact O-N 3.5Å
122	R	87.5	Confident	81.2	Confident	82 Å²	82	79.8 Å²	79.8	31%	0.309	41%	0.413	S	S	.	.	H	α-helix	trans	-55.6	-44.2	-177.8	-71.2	178.1	-170.6	-178.5	2.5	113	Y92 I117 P118 Q119 Y124 V125 L126	Y92-R122 PolarHBondContact OH-NH2 2.81Å; I117-R122 HydrophobicContact CB-CG 4.12Å; I117-R122 HydrophobicContact CG2-CB 4.41Å; I117-R122 HydrophobicContact CG2-CG 3.75Å; I117-R122 PolarHBondContact O-NE 2.91Å; P118-R122 WeakPolarHBondContact O-CG 3.3Å; P118-R122 PolarHBondContact O-N 3.47Å; P118-R122 VanDerWaalsContact O-N 3.17Å; Q119-R122 PolarHBondContact O-N 3.17Å; R122-Y124 VanDerWaalsContact C-N 3.33Å; R122-Y124 PolarHBondContact O-N 2.82Å; R122-V125 PolarHBondContact O-N 2.86Å; R122-L126 WeakPolarHBondContact O-CB 3.36Å; R122-L126 VanDerWaalsContact O-CG 3.22Å; R122-L126 WeakPolarHBondContact O-CG 3.49Å; R122-L126 PolarHBondContact O-N 3.28Å
123	K	84.5	Confident	80.1	Confident	176 Å²	176	85.3 Å²	85.3	77%	0.765	44%	0.435	S	S	*	.	H	α-helix	trans	-62.5	-41.6	179.2	-67	-173.4	179.8	-176.9	0	112	A121 L126 S127	A121-K123 VanDerWaalsContact C-N 3.32Å; A121-K123 PolarHBondContact O-N 2.92Å; K123-L126 PolarHBondContact O-N 2.94Å; K123-S127 PolarHBondContact O-N 3.08Å; K123-S127 PolarHBondContact O-OG 3.21Å
124	Y	82.6	Confident	80.2	Confident	99 Å²	99	84.9 Å²	84.9	39%	0.388	42%	0.423	S	S	.	.	H	α-helix	trans	-68.5	-41.8	178.7	178.7	-101.3	0	0	0	112	V52 A121 R122 S127 R128	V52-Y124 HydrophobicContact CB-CE1 4.31Å; V52-Y124 HydrophobicContact CG1-CD1 4.34Å; V52-Y124 HydrophobicContact CG1-CE1 4.18Å; V52-Y124 HydrophobicContact CG2-CD1 3.59Å; V52-Y124 HydrophobicContact CG2-CE1 3.65Å; A121-Y124 PolarHBondContact O-N 3.4Å; A121-Y124 VanDerWaalsContact O-N 3.12Å; R122-Y124 VanDerWaalsContact C-N 3.33Å; R122-Y124 PolarHBondContact O-N 2.82Å; Y124-S127 PolarHBondContact O-N 3.24Å; Y124-S127 PolarHBondContact O-OG 2.93Å; Y124-R128 HydrophobicContact CE1-CG 4.3Å; Y124-R128 HydrophobicContact CE2-CG 4.46Å; Y124-R128 WeakPolarHBondContact O-CG 3.39Å; Y124-R128 PolarHBondContact O-N 3.44Å; Y124-R128 PolarHBondContact OH-NE 2.97Å; Y124-R128 PolarHBondContact OH-NH2 3.48Å
125	V	83.7	Confident	80	Confident	13 Å²	13	81.2 Å²	81.2	8%	0.079	42%	0.415	C	S	.	.	H	α-helix	trans	-62	-45.5	174.4	174.4	0	0	0	0	110.6	F50 P51 V52 I117 A121 R122 R128 L129	F50-V125 HydrophobicContact CZ-CG2 4.38Å; P51-V125 HydrophobicContact CG-CG1 4.09Å; V52-V125 HydrophobicContact CG2-CG2 3.45Å; V52-V125 VanDerWaalsContact CG2-CG2 3.45Å; I117-V125 HydrophobicContact CD1-CG2 4.39Å; I117-V125 HydrophobicContact CG1-CG2 4.44Å; I117-V125 HydrophobicContact CG2-CB 4.5Å; I117-V125 HydrophobicContact CG2-CG2 3.83Å; A121-V125 WeakPolarHBondContact O-CG2 3.32Å; A121-V125 PolarHBondContact O-N 3.5Å; R122-V125 PolarHBondContact O-N 2.86Å; V125-R128 PolarHBondContact O-N 3.18Å; V125-L129 HydrophobicContact CG1-CD1 4.08Å; V125-L129 HydrophobicContact CG1-CG 4.49Å; V125-L129 WeakPolarHBondContact O-CG 3.34Å; V125-L129 PolarHBondContact O-N 3.28Å
126	L	85	Confident	79.7	Confident	100 Å²	100	83.8 Å²	83.8	52%	0.524	43%	0.426	S	S	.	.	H	α-helix	trans	-61.9	-45.2	179.3	-73.5	169.6	0	0	0	112	R122 K123 R128 L129 D130	R122-L126 WeakPolarHBondContact O-CB 3.36Å; R122-L126 VanDerWaalsContact O-CG 3.22Å; R122-L126 WeakPolarHBondContact O-CG 3.49Å; R122-L126 PolarHBondContact O-N 3.28Å; K123-L126 PolarHBondContact O-N 2.94Å; L126-R128 VanDerWaalsContact C-N 3.25Å; L126-R128 PolarHBondContact O-N 3.12Å; L126-L129 PolarHBondContact O-N 3.46Å; L126-L129 VanDerWaalsContact O-N 3.09Å; L126-D130 PolarHBondContact O-N 3.47Å
127	S	81.8	Confident	79.4	Confident	47 Å²	47	87.7 Å²	87.7	33%	0.329	45%	0.445	S	S	.	.	H	α-helix	trans	-61.3	-35.1	178.2	64	0	0	0	0	112.7	K123 Y124 E131	K123-S127 PolarHBondContact O-N 3.08Å; K123-S127 PolarHBondContact O-OG 3.21Å; Y124-S127 PolarHBondContact O-N 3.24Å; Y124-S127 PolarHBondContact O-OG 2.93Å; S127-E131 WeakPolarHBondContact O-CG 3.37Å; S127-E131 PolarHBondContact O-N 3.05Å
128	R	79.5	Confident	79	Confident	108 Å²	108	91.5 Å²	91.5	41%	0.408	46%	0.464	S	S	.	.	H	α-helix	trans	-72.2	-31.3	175.6	-69.2	-58.2	-156.7	175.2	8.4	113.5	P51 Y124 V125 L126 E131	P51-R128 HydrophobicContact CB-CB 3.55Å; P51-R128 HydrophobicContact CB-CG 4.06Å; P51-R128 HydrophobicContact CG-CB 4.46Å; Y124-R128 HydrophobicContact CE1-CG 4.3Å; Y124-R128 HydrophobicContact CE2-CG 4.46Å; Y124-R128 WeakPolarHBondContact O-CG 3.39Å; Y124-R128 PolarHBondContact O-N 3.44Å; Y124-R128 PolarHBondContact OH-NE 2.97Å; Y124-R128 PolarHBondContact OH-NH2 3.48Å; V125-R128 PolarHBondContact O-N 3.18Å; L126-R128 VanDerWaalsContact C-N 3.25Å; L126-R128 PolarHBondContact O-N 3.12Å; R128-E131 VanDerWaalsContact CD-OE2 3.32Å; R128-E131 WeakPolarHBondContact CD-OE2 3.45Å; R128-E131 IonicContact CZ-OE2 3.83Å; R128-E131 IonicContact NH1-OE2 2.86Å; R128-E131 PolarHBondContact NH1-OE2 3.26Å
129	L	79.5	Confident	78.6	Confident	91 Å²	91	97.6 Å²	97.6	48%	0.476	50%	0.495	S	S	.	.	H	α-helix	trans	-70.3	-39.7	174.3	-71.1	170.9	0	0	0	110.9	V125 L126 E131 G132 H133	V125-L129 HydrophobicContact CG1-CD1 4.08Å; V125-L129 HydrophobicContact CG1-CG 4.49Å; V125-L129 WeakPolarHBondContact O-CG 3.34Å; V125-L129 PolarHBondContact O-N 3.28Å; L126-L129 PolarHBondContact O-N 3.46Å; L126-L129 VanDerWaalsContact O-N 3.09Å; L129-E131 VanDerWaalsContact C-N 3.3Å; L129-E131 PolarHBondContact O-N 3.11Å; L129-G132 PolarHBondContact O-N 3.47Å; L129-H133 PolarHBondContact O-CD2 3.18Å
130	D	78.5	Confident	78.2	Confident	119 Å²	119	96.2 Å²	96.2	64%	0.636	49%	0.492	S	S	*	.	H	α-helix	trans	-65.6	-33	177	-64.5	-24	0	0	0	112	L126 G132	L126-D130 PolarHBondContact O-N 3.47Å; D130-G132 VanDerWaalsContact C-N 3.28Å; D130-G132 PolarHBondContact O-N 3.05Å
131	E	72.6	Confident	78	Confident	124 Å²	124	97.2 Å²	97.2	58%	0.579	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-21.4	174.6	-75.2	167.4	-162.2	0	0	113.8	S127 R128 L129 H133	S127-E131 WeakPolarHBondContact O-CG 3.37Å; S127-E131 PolarHBondContact O-N 3.05Å; R128-E131 VanDerWaalsContact CD-OE2 3.32Å; R128-E131 WeakPolarHBondContact CD-OE2 3.45Å; R128-E131 IonicContact CZ-OE2 3.83Å; R128-E131 IonicContact NH1-OE2 2.86Å; R128-E131 PolarHBondContact NH1-OE2 3.26Å; L129-E131 VanDerWaalsContact C-N 3.3Å; L129-E131 PolarHBondContact O-N 3.11Å; E131-H133 VanDerWaalsContact C-N 3.35Å
132	G	64.3	Low	77.6	Confident	69 Å²	69	104.8 Å²	104.8	71%	0.711	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	2.5	-175	0	0	0	0	0	115.4	L129 D130	L129-G132 PolarHBondContact O-N 3.47Å; D130-G132 VanDerWaalsContact C-N 3.28Å; D130-G132 PolarHBondContact O-N 3.05Å
133	H	51.9	Low	76.7	Confident	229 Å²	229	106.8 Å²	106.8	100%	1.06	54%	0.541	S	S	*	.			trans	-107.8	0	177.6	-79	-78.4	0	0	0	111.3	L129 E131	L129-H133 PolarHBondContact O-CD2 3.18Å; E131-H133 VanDerWaalsContact C-N 3.35Å

Retrieved 133 of 133 residues in 115.7 ms (Link to these results)

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