A0A077ZLS9_TRITR Loading...

TOR signaling pathway regulator TapA

AlphaFold DB , UniProt , Accession A0A077ZLS9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 113 aa.

						>A0A077ZLS9_TRITR|A0A077ZLS9
MASEPAKLEAPLYDQFLELGQRSEQLLDRRGSLNDKSEIANVAKDCMDVAKKLEDVITNIDKLGLYSENEQLDDIATKDLRLMKASAYLGLLLVNGSDSNRLDSLEKAIVRSR
					

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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	38.7	Very low	51.8	Low	245 Å²	245	121.4 Å²	121.4	100%	1.207	71%	0.707	S	S	*	*				0	105.8	0	-77.3	163.6	134	0	0	105.8	S3	M1-S3 PolarHBondContact O-N 3.5Å
2	A	39.1	Very low	54.7	Low	101 Å²	101	112.9 Å²	112.9	84%	0.835	66%	0.657	S	S	*	*			trans	-78.7	115.9	173.8	0	0	0	0	0	106.4	E4	A2-E4 PolarHBondContact O-N 3.11Å
3	S	42.6	Very low	57.2	Low	113 Å²	113	105.6 Å²	105.6	79%	0.79	61%	0.612	S	S	*	*			trans	-55.3	122.6	173.7	-59.6	0	0	0	0	108.4	M1	M1-S3 PolarHBondContact O-N 3.5Å
4	E	42.8	Very low	59.5	Low	170 Å²	170	104.7 Å²	104.7	79%	0.794	60%	0.604	S	S	*	*			trans	-56.3	125.9	169.3	-81.5	175.6	91.5	0	0	107.7	A2 A6	A2-E4 PolarHBondContact O-N 3.11Å; E4-A6 PolarHBondContact O-N 3.21Å
5	P	44.9	Very low	61.7	Low	113 Å²	113	103.2 Å²	103.2	73%	0.734	59%	0.589	S	S	*	*			trans	-62.6	115.7	171.6	25.6	-30.2	0	0	0	105.9	K7	P5-K7 PolarHBondContact O-N 3.48Å
6	A	45.6	Very low	63.6	Low	87 Å²	87	97.3 Å²	97.3	72%	0.719	56%	0.555	S	S	*	*			trans	-51	106.6	179.2	0	0	0	0	0	108.1	E4 L8	E4-A6 PolarHBondContact O-N 3.21Å; A6-L8 PolarHBondContact O-N 3.17Å; A6-L8 VanDerWaalsContact O-N 3.16Å
7	K	49.6	Very low	65.4	Low	185 Å²	185	95.4 Å²	95.4	80%	0.804	54%	0.542	S	S	*	.			trans	-66.2	116.9	-176.1	-80.8	172.8	179.4	164.9	0	107.6	P5 E9	P5-K7 PolarHBondContact O-N 3.48Å; K7-E9 PolarHBondContact O-N 3.05Å
8	L	54.7	Low	67	Low	32 Å²	32	98.1 Å²	98.1	17%	0.168	55%	0.549	C	S	.	.			trans	-53.2	126.6	158.9	-129	141.3	0	0	0	108.2	A6 A10 L12 L65 D79 L82	A6-L8 PolarHBondContact O-N 3.17Å; A6-L8 VanDerWaalsContact O-N 3.16Å; L8-A10 PolarHBondContact O-N 3.31Å; L8-L12 HydrophobicContact CD2-CB 3.88Å; L8-L12 HydrophobicContact CD2-CD2 4.15Å; L8-L65 HydrophobicContact CD1-CD1 3.76Å; L8-L65 HydrophobicContact CD1-CD2 4.24Å; L8-L65 HydrophobicContact CG-CD1 4.31Å; L8-D79 HydrophobicContact CD1-CB 4.03Å; L8-D79 WeakPolarHBondContact CD1-OD1 3.21Å; L8-L82 HydrophobicContact CD1-CD1 3.61Å; L8-L82 HydrophobicContact CD2-CD1 3.99Å; L8-L82 HydrophobicContact CG-CD1 4.44Å
9	E	63.9	Low	68.5	Low	142 Å²	142	93.5 Å²	93.5	66%	0.664	52%	0.523	S	S	*	.			trans	-59.4	108.7	170.5	-65.6	-163.5	156.6	0	0	106.4	K7 P11 L12	K7-E9 PolarHBondContact O-N 3.05Å; E9-P11 HydrophobicContact CB-CG 3.94Å; E9-P11 WeakPolarHBondContact O-CD 3.34Å; E9-L12 PolarHBondContact O-N 3.23Å
10	A	64.8	Low	69.8	Low	62 Å²	62	89 Å²	89	51%	0.512	50%	0.499	S	S	.	.	H	α-helix	trans	-34.5	-42.1	177.1	0	0	0	0	0	114.7	L8 L12 Y13 D14	L8-A10 PolarHBondContact O-N 3.31Å; A10-L12 VanDerWaalsContact C-N 3.29Å; A10-L12 PolarHBondContact O-N 2.74Å; A10-Y13 PolarHBondContact O-N 2.95Å; A10-D14 PolarHBondContact O-N 2.84Å; A10-D14 VanDerWaalsContact O-N 3.16Å
11	P	83.3	Confident	71	Confident	85 Å²	85	90.6 Å²	90.6	55%	0.552	50%	0.502	S	S	*	.	H	α-helix	trans	-54.6	-35	175.7	16.1	-32.1	0	0	0	115.7	E9 Q15	E9-P11 HydrophobicContact CB-CG 3.94Å; E9-P11 WeakPolarHBondContact O-CD 3.34Å; P11-Q15 VanDerWaalsContact O-CB 3.25Å; P11-Q15 WeakPolarHBondContact O-CB 3.45Å; P11-Q15 PolarHBondContact O-N 2.83Å
12	L	86	Confident	73.8	Confident	20 Å²	20	83.6 Å²	83.6	11%	0.105	46%	0.463	C	S	.	.	H	α-helix	trans	-71.4	-42	-176.5	-152.4	94.3	0	0	0	111.9	L8 E9 A10 Q15 F16 N59 I60 L63	L8-L12 HydrophobicContact CD2-CB 3.88Å; L8-L12 HydrophobicContact CD2-CD2 4.15Å; E9-L12 PolarHBondContact O-N 3.23Å; A10-L12 VanDerWaalsContact C-N 3.29Å; A10-L12 PolarHBondContact O-N 2.74Å; L12-Q15 PolarHBondContact O-N 3.45Å; L12-F16 PolarHBondContact O-N 3.18Å; L12-N59 HydrophobicContact CD1-CB 3.64Å; L12-N59 HydrophobicContact CD2-CB 4.44Å; L12-I60 HydrophobicContact CD2-CG1 3.69Å; L12-L63 HydrophobicContact CD2-CD1 4.15Å
13	Y	87.2	Confident	76.5	Confident	18 Å²	18	78.8 Å²	78.8	7%	0.071	42%	0.423	C	S	.	.	H	α-helix	trans	-68.7	-39.4	178.4	-179.5	-102.2	0	0	0	111.5	A10 F16 L17 K78 R81 L82	A10-Y13 PolarHBondContact O-N 2.95Å; Y13-F16 PolarHBondContact O-N 3.32Å; Y13-L17 HydrophobicContact CD1-CD1 3.86Å; Y13-L17 HydrophobicContact CD1-CG 4.35Å; Y13-L17 HydrophobicContact CE1-CD1 3.32Å; Y13-L17 HydrophobicContact CE1-CG 3.89Å; Y13-L17 PolarHBondContact O-N 3.14Å; Y13-K78 HydrophobicContact CD1-CD 4.29Å; Y13-K78 HydrophobicContact CD2-CB 3.89Å; Y13-K78 HydrophobicContact CE1-CD 4.19Å; Y13-K78 HydrophobicContact CE1-CG 4.26Å; Y13-K78 HydrophobicContact CE2-CB 3.7Å; Y13-K78 HydrophobicContact CE2-CG 4.11Å; Y13-K78 WeakPolarHBondContact CE2-O 3.46Å; Y13-K78 HydrophobicContact CG-CB 4.46Å; Y13-R81 HydrophobicContact CE2-CB 4.34Å; Y13-R81 WeakPolarHBondContact OH-CD 3.47Å; Y13-R81 PolarHBondContact OH-NH1 2.94Å; Y13-L82 HydrophobicContact CD2-CD2 4.06Å; Y13-L82 HydrophobicContact CD2-CG 4.32Å
14	D	90.1	Very high	78.9	Confident	93 Å²	93	77.6 Å²	77.6	50%	0.497	41%	0.405	S	S	.	.	H	α-helix	trans	-66.5	-40.5	176.5	-67	-22.8	0	0	0	111	A10 F16 L17 E18	A10-D14 PolarHBondContact O-N 2.84Å; A10-D14 VanDerWaalsContact O-N 3.16Å; D14-F16 VanDerWaalsContact C-N 3.34Å; D14-F16 PolarHBondContact O-N 3.22Å; D14-L17 PolarHBondContact O-N 3.4Å; D14-E18 PolarHBondContact O-N 3Å
15	Q	91.7	Very high	81.4	Confident	82 Å²	82	74.5 Å²	74.5	38%	0.383	39%	0.39	S	S	.	.	H	α-helix	trans	-60.9	-43.4	173.3	-172.1	178	24.5	0	0	111.6	P11 L12 E18 L19 V56	P11-Q15 VanDerWaalsContact O-CB 3.25Å; P11-Q15 WeakPolarHBondContact O-CB 3.45Å; P11-Q15 PolarHBondContact O-N 2.83Å; L12-Q15 PolarHBondContact O-N 3.45Å; Q15-E18 PolarHBondContact O-N 2.85Å; Q15-L19 HydrophobicContact CG-CD1 4.01Å; Q15-L19 WeakPolarHBondContact O-CB 3.44Å; Q15-L19 VanDerWaalsContact O-CG 3.26Å; Q15-L19 WeakPolarHBondContact O-CG 3.38Å; Q15-L19 PolarHBondContact O-N 3.03Å; Q15-V56 HydrophobicContact CG-CG2 3.89Å
16	F	93.4	Very high	83.8	Confident	9 Å²	9	69.2 Å²	69.2	4%	0.039	36%	0.356	C	S	.	.	H	α-helix	trans	-61.4	-43.4	174.1	165.2	-99.5	0	0	0	112.1	L12 Y13 D14 E18 L19 G20 V56 R81 L82 K84 A85 Y88	L12-F16 PolarHBondContact O-N 3.18Å; Y13-F16 PolarHBondContact O-N 3.32Å; D14-F16 VanDerWaalsContact C-N 3.34Å; D14-F16 PolarHBondContact O-N 3.22Å; F16-E18 PolarHBondContact O-N 3.15Å; F16-L19 PolarHBondContact O-N 2.88Å; F16-G20 PolarHBondContact O-N 3.03Å; F16-V56 HydrophobicContact CB-CG1 4.27Å; F16-R81 HydrophobicContact CE1-CB 4.29Å; F16-R81 WeakPolarHBondContact CZ-O 3.41Å; F16-L82 HydrophobicContact CB-CD2 3.39Å; F16-L82 HydrophobicContact CD1-CD2 3.56Å; F16-L82 HydrophobicContact CD2-CD2 4.04Å; F16-L82 HydrophobicContact CE1-CD2 4.36Å; F16-L82 HydrophobicContact CG-CD2 3.36Å; F16-K84 HydrophobicContact CZ-CB 4.09Å; F16-A85 HydrophobicContact CD2-CB 3.9Å; F16-A85 HydrophobicContact CE2-CB 3.79Å; F16-Y88 HydrophobicContact CE2-CD2 4.32Å; F16-Y88 HydrophobicContact CE2-CE2 4.44Å; F16-Y88 HydrophobicContact CZ-CE2 4.32Å
17	L	93.1	Very high	86	Confident	65 Å²	65	66.6 Å²	66.6	34%	0.34	33%	0.33	S	S	.	.	H	α-helix	trans	-60.4	-45.2	179.7	-83.8	174.7	0	0	0	111.9	Y13 D14 G20 Q21	Y13-L17 HydrophobicContact CD1-CD1 3.86Å; Y13-L17 HydrophobicContact CD1-CG 4.35Å; Y13-L17 HydrophobicContact CE1-CD1 3.32Å; Y13-L17 HydrophobicContact CE1-CG 3.89Å; Y13-L17 PolarHBondContact O-N 3.14Å; D14-L17 PolarHBondContact O-N 3.4Å; L17-G20 PolarHBondContact O-N 3.22Å; L17-Q21 PolarHBondContact O-N 3.2Å
18	E	94.7	Very high	88	Confident	143 Å²	143	63.9 Å²	63.9	67%	0.668	32%	0.324	S	S	*	.	H	α-helix	trans	-62.5	-48.3	177.7	-171.2	-172.8	147.3	0	0	111.2	D14 Q15 F16 G20 Q21 R22	D14-E18 PolarHBondContact O-N 3Å; Q15-E18 PolarHBondContact O-N 2.85Å; F16-E18 PolarHBondContact O-N 3.15Å; E18-G20 VanDerWaalsContact C-N 3.33Å; E18-G20 PolarHBondContact O-N 3.37Å; E18-Q21 PolarHBondContact O-N 3.29Å; E18-R22 WeakPolarHBondContact O-CB 3.43Å; E18-R22 PolarHBondContact O-N 3.2Å
19	L	95.7	Very high	89.6	Confident	11 Å²	11	68.1 Å²	68.1	6%	0.058	34%	0.338	C	S	.	.	H	α-helix	trans	-65.2	-37.3	178.8	-67.7	171.9	0	0	0	112	Q15 F16 R22 S23 V49 K52 L53 V56	Q15-L19 HydrophobicContact CG-CD1 4.01Å; Q15-L19 WeakPolarHBondContact O-CB 3.44Å; Q15-L19 VanDerWaalsContact O-CG 3.26Å; Q15-L19 WeakPolarHBondContact O-CG 3.38Å; Q15-L19 PolarHBondContact O-N 3.03Å; F16-L19 PolarHBondContact O-N 2.88Å; L19-R22 PolarHBondContact O-N 3.36Å; L19-S23 WeakPolarHBondContact O-CB 3.48Å; L19-S23 PolarHBondContact O-N 3.42Å; L19-S23 PolarHBondContact O-OG 3.16Å; L19-V49 HydrophobicContact CD2-CG1 4.16Å; L19-K52 HydrophobicContact CD1-CB 3.82Å; L19-K52 HydrophobicContact CD2-CB 3.68Å; L19-K52 HydrophobicContact CD2-CD 3.82Å; L19-K52 HydrophobicContact CD2-CG 4.42Å; L19-K52 HydrophobicContact CG-CB 4.44Å; L19-L53 HydrophobicContact CB-CG 4.24Å; L19-L53 HydrophobicContact CD1-CG 4.41Å; L19-V56 HydrophobicContact CD1-CG2 3.82Å
20	G	94.7	Very high	90.5	Very high	4 Å²	4	64 Å²	64	4%	0.041	32%	0.316	C	S	.	.	H	α-helix	trans	-62.4	-48.4	176.2	0	0	0	0	0	111.7	F16 L17 E18 R22 S23 E24	F16-G20 PolarHBondContact O-N 3.03Å; L17-G20 PolarHBondContact O-N 3.22Å; E18-G20 VanDerWaalsContact C-N 3.33Å; E18-G20 PolarHBondContact O-N 3.37Å; G20-R22 VanDerWaalsContact C-N 3.33Å; G20-R22 PolarHBondContact O-N 3.41Å; G20-S23 WeakPolarHBondContact O-CB 3.47Å; G20-S23 PolarHBondContact O-N 3.18Å; G20-E24 PolarHBondContact O-N 3.21Å
21	Q	95.2	Very high	91.2	Very high	122 Å²	122	64.6 Å²	64.6	57%	0.57	33%	0.328	S	S	*	.	H	α-helix	trans	-60.5	-43.1	174.3	-77	-176.9	-8.7	0	0	111.9	L17 E18 S23 E24 Q25	L17-Q21 PolarHBondContact O-N 3.2Å; E18-Q21 PolarHBondContact O-N 3.29Å; Q21-S23 VanDerWaalsContact C-N 3.27Å; Q21-S23 PolarHBondContact O-N 3.36Å; Q21-E24 PolarHBondContact O-N 3.25Å; Q21-Q25 WeakPolarHBondContact O-CG 2.9Å; Q21-Q25 PolarHBondContact O-N 3.27Å; Q21-Q25 VanDerWaalsContact O-N 3.08Å
22	R	95.9	Very high	91.2	Very high	98 Å²	98	64.6 Å²	64.6	37%	0.37	33%	0.331	S	S	.	.	H	α-helix	trans	-64.2	-36.4	177.4	-171.3	62.3	179.7	175.2	-0	111.8	E18 L19 G20 Q25 L26 D45 V49	E18-R22 WeakPolarHBondContact O-CB 3.43Å; E18-R22 PolarHBondContact O-N 3.2Å; L19-R22 PolarHBondContact O-N 3.36Å; G20-R22 VanDerWaalsContact C-N 3.33Å; G20-R22 PolarHBondContact O-N 3.41Å; R22-Q25 PolarHBondContact O-N 3Å; R22-L26 HydrophobicContact CG-CD1 4.19Å; R22-L26 VanDerWaalsContact O-CG 3.3Å; R22-L26 WeakPolarHBondContact O-CG 3.44Å; R22-L26 PolarHBondContact O-N 2.85Å; R22-D45 IonicContact NH2-OD2 3.73Å; R22-D45 PolarHBondContact NH2-OD2 3.22Å; R22-D45 VanDerWaalsContact NH2-OD2 3.11Å; R22-V49 HydrophobicContact CB-CG2 4.5Å; R22-V49 HydrophobicContact CG-CG2 3.69Å
23	S	95.5	Very high	91.3	Very high	0 Å²	0	64.8 Å²	64.8	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-62.6	-49.1	176.6	-56.7	0	0	0	0	111.1	L19 G20 Q21 Q25 L26 L27 L53 L92	L19-S23 WeakPolarHBondContact O-CB 3.48Å; L19-S23 PolarHBondContact O-N 3.42Å; L19-S23 PolarHBondContact O-OG 3.16Å; G20-S23 WeakPolarHBondContact O-CB 3.47Å; G20-S23 PolarHBondContact O-N 3.18Å; Q21-S23 VanDerWaalsContact C-N 3.27Å; Q21-S23 PolarHBondContact O-N 3.36Å; S23-Q25 PolarHBondContact O-N 3.02Å; S23-L26 PolarHBondContact O-N 2.68Å; S23-L27 WeakPolarHBondContact O-CB 3.32Å; S23-L27 WeakPolarHBondContact O-CG 3.4Å; S23-L27 PolarHBondContact O-N 3.39Å; S23-L53 WeakPolarHBondContact OG-CD1 3.29Å; S23-L92 WeakPolarHBondContact OG-CD1 3.29Å
24	E	94.5	Very high	91.1	Very high	88 Å²	88	71.3 Å²	71.3	41%	0.411	37%	0.368	S	S	.	.	H	α-helix	trans	-58.2	-46.7	177.2	-69.9	179.5	172.9	0	0	111.6	G20 Q21 L26 L27 D28 Y88	G20-E24 PolarHBondContact O-N 3.21Å; Q21-E24 PolarHBondContact O-N 3.25Å; E24-L26 VanDerWaalsContact C-N 3.33Å; E24-L26 PolarHBondContact O-N 2.89Å; E24-L27 PolarHBondContact O-N 3.05Å; E24-D28 WeakPolarHBondContact O-CB 3.35Å; E24-D28 PolarHBondContact O-N 2.71Å; E24-Y88 HydrophobicContact CG-CE1 3.68Å; E24-Y88 PolarHBondContact OE1-OH 3.18Å
25	Q	95	Very high	91	Very high	105 Å²	105	70.6 Å²	70.6	49%	0.491	36%	0.364	S	S	.	.	H	α-helix	trans	-58.2	-42.9	177	-71.4	172.4	6.1	0	0	113	Q21 R22 S23 R29	Q21-Q25 WeakPolarHBondContact O-CG 2.9Å; Q21-Q25 PolarHBondContact O-N 3.27Å; Q21-Q25 VanDerWaalsContact O-N 3.08Å; R22-Q25 PolarHBondContact O-N 3Å; S23-Q25 PolarHBondContact O-N 3.02Å; Q25-R29 WeakPolarHBondContact O-CB 3.35Å; Q25-R29 PolarHBondContact O-N 3.42Å
26	L	94.5	Very high	90.7	Very high	3 Å²	3	75.2 Å²	75.2	2%	0.016	38%	0.383	C	S	.	.	H	α-helix	trans	-69.4	-40.9	-179.8	-72.1	171	0	0	0	111.8	R22 S23 E24 R29 R30 V42 D45 V49 L92	R22-L26 HydrophobicContact CG-CD1 4.19Å; R22-L26 VanDerWaalsContact O-CG 3.3Å; R22-L26 WeakPolarHBondContact O-CG 3.44Å; R22-L26 PolarHBondContact O-N 2.85Å; S23-L26 PolarHBondContact O-N 2.68Å; E24-L26 VanDerWaalsContact C-N 3.33Å; E24-L26 PolarHBondContact O-N 2.89Å; L26-R29 PolarHBondContact O-N 3.21Å; L26-R30 WeakPolarHBondContact O-CB 3.39Å; L26-R30 PolarHBondContact O-N 3.42Å; L26-V42 HydrophobicContact CD2-CG1 4.23Å; L26-D45 HydrophobicContact CD1-CB 4Å; L26-D45 HydrophobicContact CD2-CB 3.54Å; L26-D45 HydrophobicContact CG-CB 4.44Å; L26-V49 HydrophobicContact CD1-CB 4.25Å; L26-V49 HydrophobicContact CD1-CG2 3.71Å; L26-L92 HydrophobicContact CB-CD2 4.46Å; L26-L92 HydrophobicContact CD1-CD2 4.39Å
27	L	91.7	Very high	90.5	Very high	31 Å²	31	78.2 Å²	78.2	16%	0.162	41%	0.405	C	S	.	.	H	α-helix	trans	-66.4	-44.6	178.9	-67.4	170.1	0	0	0	111.5	S23 E24 R30 G31 Y88 L91 L92 N95	S23-L27 WeakPolarHBondContact O-CB 3.32Å; S23-L27 WeakPolarHBondContact O-CG 3.4Å; S23-L27 PolarHBondContact O-N 3.39Å; E24-L27 PolarHBondContact O-N 3.05Å; L27-R30 PolarHBondContact O-N 3.32Å; L27-G31 PolarHBondContact O-N 3.39Å; L27-Y88 HydrophobicContact CD1-CD1 4.41Å; L27-L91 HydrophobicContact CD1-CB 3.85Å; L27-L91 HydrophobicContact CD1-CD1 3.93Å; L27-L91 HydrophobicContact CD2-CB 3.87Å; L27-L92 HydrophobicContact CG-CD2 4.47Å; L27-N95 HydrophobicContact CD2-CB 4.17Å; L27-N95 VanDerWaalsContact CD2-ND2 3.29Å; L27-N95 WeakPolarHBondContact CD2-ND2 3.46Å
28	D	91.7	Very high	90.4	Very high	129 Å²	129	78.6 Å²	78.6	69%	0.69	41%	0.405	S	S	*	.	H	α-helix	trans	-63.4	-44.9	175.2	-79	-10.5	0	0	0	111.2	E24 R30 G31	E24-D28 WeakPolarHBondContact O-CB 3.35Å; E24-D28 PolarHBondContact O-N 2.71Å; D28-R30 PolarHBondContact O-N 3.26Å; D28-G31 PolarHBondContact O-N 2.92Å
29	R	89.2	Confident	90.1	Very high	120 Å²	120	73.7 Å²	73.7	45%	0.453	38%	0.383	S	S	.	.	H	α-helix	trans	-62.4	-43.9	179	-168.7	171.4	177.2	-177.2	-2.5	110.9	Q25 L26 G31 S32 L33 E38 V42	Q25-R29 WeakPolarHBondContact O-CB 3.35Å; Q25-R29 PolarHBondContact O-N 3.42Å; L26-R29 PolarHBondContact O-N 3.21Å; R29-G31 PolarHBondContact O-N 3.46Å; R29-S32 PolarHBondContact O-N 3.09Å; R29-S32 PolarHBondContact O-OG 2.9Å; R29-L33 HydrophobicContact CG-CD1 4.09Å; R29-L33 HydrophobicContact CG-CG 4.29Å; R29-L33 WeakPolarHBondContact O-CG 3.39Å; R29-L33 PolarHBondContact O-N 3.03Å; R29-E38 IonicContact NH2-OE1 3.11Å; R29-E38 PolarHBondContact NH2-OE1 3Å; R29-V42 HydrophobicContact CG-CG2 4.26Å
30	R	82.8	Confident	89.8	Confident	55 Å²	55	75.3 Å²	75.3	21%	0.208	40%	0.398	C	S	.	.	H	α-helix	trans	-56.4	-37.1	179.2	-176.3	55.5	174.2	-143	-1	112.8	L26 L27 D28 S32 I39 V42 N95	L26-R30 WeakPolarHBondContact O-CB 3.39Å; L26-R30 PolarHBondContact O-N 3.42Å; L27-R30 PolarHBondContact O-N 3.32Å; D28-R30 PolarHBondContact O-N 3.26Å; R30-S32 PolarHBondContact O-N 3.23Å; R30-I39 VanDerWaalsContact CZ-CG2 3.46Å; R30-I39 PolarHBondContact NH1-O 3.09Å; R30-V42 HydrophobicContact CB-CG1 3.99Å; R30-N95 HydrophobicContact CG-CB 4.34Å; R30-N95 WeakPolarHBondContact CG-OD1 3.37Å
31	G	79.3	Confident	89.7	Confident	75 Å²	75	79.9 Å²	79.9	77%	0.773	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-15.1	178.9	0	0	0	0	0	115.2	L27 D28 R29	L27-G31 PolarHBondContact O-N 3.39Å; D28-G31 PolarHBondContact O-N 2.92Å; R29-G31 PolarHBondContact O-N 3.46Å
32	S	83.6	Confident	89.5	Confident	86 Å²	86	74.2 Å²	74.2	60%	0.601	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.8	-3.7	-175.2	63.2	0	0	0	0	114.6	R29 R30	R29-S32 PolarHBondContact O-N 3.09Å; R29-S32 PolarHBondContact O-OG 2.9Å; R30-S32 PolarHBondContact O-N 3.23Å
33	L	86.8	Confident	89.3	Confident	24 Å²	24	69.6 Å²	69.6	13%	0.126	38%	0.378	C	S	.	.			trans	-91.9	133.6	-173.6	-72.1	175.5	0	0	0	112.9	R29 E38 I39 V42	R29-L33 HydrophobicContact CG-CD1 4.09Å; R29-L33 HydrophobicContact CG-CG 4.29Å; R29-L33 WeakPolarHBondContact O-CG 3.39Å; R29-L33 PolarHBondContact O-N 3.03Å; L33-E38 HydrophobicContact CD1-CB 3.94Å; L33-E38 HydrophobicContact CD2-CB 3.78Å; L33-E38 HydrophobicContact CD2-CG 4.4Å; L33-E38 VanDerWaalsContact CD2-OE2 3.26Å; L33-E38 WeakPolarHBondContact CD2-OE2 3.39Å; L33-E38 HydrophobicContact CG-CB 4.4Å; L33-I39 HydrophobicContact CB-CG1 3.87Å; L33-V42 HydrophobicContact CD1-CB 4.13Å; L33-V42 HydrophobicContact CD1-CG2 3.48Å; L33-V42 VanDerWaalsContact CD1-CG2 3.48Å
34	N	83.7	Confident	89.2	Confident	154 Å²	154	76.1 Å²	76.1	82%	0.824	41%	0.406	S	S	*	.			trans	-116.5	-19.6	175.9	-54.5	-14.4	0	0	0	112
35	D	89.1	Confident	89.2	Confident	78 Å²	78	74.5 Å²	74.5	42%	0.417	40%	0.401	S	S	.	.			trans	-77.9	128.7	178.5	-179.8	-103	0	0	0	111.1	S37 E38 I39	D35-S37 VanDerWaalsContact C-N 3.3Å; D35-S37 PolarHBondContact O-N 3.13Å; D35-S37 WeakPolarHBondContact OD1-CA 3.26Å; D35-S37 VanDerWaalsContact OD1-CB 3.24Å; D35-S37 WeakPolarHBondContact OD1-CB 3.28Å; D35-S37 PolarHBondContact OD1-N 3.35Å; D35-S37 PolarHBondContact OD1-OG 3.03Å; D35-E38 HydrophobicContact CB-CB 4.23Å; D35-E38 HydrophobicContact CB-CG 4.21Å; D35-E38 PolarHBondContact O-N 3.17Å; D35-E38 PolarHBondContact OD1-N 3.44Å; D35-I39 WeakPolarHBondContact O-CB 3.46Å; D35-I39 WeakPolarHBondContact O-CD1 3.28Å; D35-I39 WeakPolarHBondContact O-CG1 3.35Å; D35-I39 PolarHBondContact O-N 3.43Å
36	K	85.4	Confident	89.1	Confident	180 Å²	180	69.5 Å²	69.5	78%	0.783	38%	0.377	S	S	*	.	H	α-helix	trans	-63.7	-33.7	-177.8	-73.3	-173.9	178.4	-178.5	0	113	A40	K36-A40 PolarHBondContact O-N 3.22Å
37	S	88.7	Confident	89	Confident	72 Å²	72	72.5 Å²	72.5	50%	0.503	39%	0.392	S	S	.	.	H	α-helix	trans	-73.5	-40.8	-178.7	89.8	0	0	0	0	111.1	D35 A40 N41	D35-S37 VanDerWaalsContact C-N 3.3Å; D35-S37 PolarHBondContact O-N 3.13Å; D35-S37 WeakPolarHBondContact OD1-CA 3.26Å; D35-S37 VanDerWaalsContact OD1-CB 3.24Å; D35-S37 WeakPolarHBondContact OD1-CB 3.28Å; D35-S37 PolarHBondContact OD1-N 3.35Å; D35-S37 PolarHBondContact OD1-OG 3.03Å; S37-A40 PolarHBondContact O-N 2.9Å; S37-N41 PolarHBondContact O-N 2.9Å; S37-N41 PolarHBondContact O-ND2 2.91Å
38	E	90.2	Very high	89.2	Confident	72 Å²	72	74.6 Å²	74.6	34%	0.336	40%	0.403	S	S	.	.	H	α-helix	trans	-66.6	-39.5	174.9	-68.1	-161.4	103.3	0	0	111.8	R29 L33 D35 A40 N41 V42	R29-E38 IonicContact NH2-OE1 3.11Å; R29-E38 PolarHBondContact NH2-OE1 3Å; L33-E38 HydrophobicContact CD1-CB 3.94Å; L33-E38 HydrophobicContact CD2-CB 3.78Å; L33-E38 HydrophobicContact CD2-CG 4.4Å; L33-E38 VanDerWaalsContact CD2-OE2 3.26Å; L33-E38 WeakPolarHBondContact CD2-OE2 3.39Å; L33-E38 HydrophobicContact CG-CB 4.4Å; D35-E38 HydrophobicContact CB-CB 4.23Å; D35-E38 HydrophobicContact CB-CG 4.21Å; D35-E38 PolarHBondContact O-N 3.17Å; D35-E38 PolarHBondContact OD1-N 3.44Å; E38-A40 PolarHBondContact O-N 2.95Å; E38-N41 PolarHBondContact O-N 3.11Å; E38-V42 WeakPolarHBondContact O-CG2 3.24Å; E38-V42 PolarHBondContact O-N 2.83Å
39	I	88.7	Confident	89.4	Confident	41 Å²	41	69 Å²	69	21%	0.21	37%	0.374	C	S	.	.	H	α-helix	trans	-55.4	-50.2	172.2	-77.2	171.1	0	0	0	110.2	R30 L33 D35 N41 V42 A43	R30-I39 VanDerWaalsContact CZ-CG2 3.46Å; R30-I39 PolarHBondContact NH1-O 3.09Å; L33-I39 HydrophobicContact CB-CG1 3.87Å; D35-I39 WeakPolarHBondContact O-CB 3.46Å; D35-I39 WeakPolarHBondContact O-CD1 3.28Å; D35-I39 WeakPolarHBondContact O-CG1 3.35Å; D35-I39 PolarHBondContact O-N 3.43Å; I39-N41 VanDerWaalsContact C-N 3.33Å; I39-N41 PolarHBondContact O-N 3.03Å; I39-V42 PolarHBondContact O-N 2.85Å; I39-A43 WeakPolarHBondContact O-CB 3.49Å; I39-A43 PolarHBondContact O-N 2.84Å
40	A	89.6	Confident	89.6	Confident	44 Å²	44	63.4 Å²	63.4	36%	0.364	35%	0.353	S	S	.	.	H	α-helix	trans	-62.8	-39.6	179.5	0	0	0	0	0	112.2	K36 S37 E38 A43 K44	K36-A40 PolarHBondContact O-N 3.22Å; S37-A40 PolarHBondContact O-N 2.9Å; E38-A40 PolarHBondContact O-N 2.95Å; A40-A43 PolarHBondContact O-N 3.23Å; A40-K44 PolarHBondContact O-N 3.2Å
41	N	92.1	Very high	90.1	Very high	100 Å²	100	67 Å²	67	54%	0.535	37%	0.37	S	S	.	.	H	α-helix	trans	-64.7	-46.2	176.4	-73.8	-25.9	0	0	0	112.1	S37 E38 I39 A43 K44 D45	S37-N41 PolarHBondContact O-N 2.9Å; S37-N41 PolarHBondContact O-ND2 2.91Å; E38-N41 PolarHBondContact O-N 3.11Å; I39-N41 VanDerWaalsContact C-N 3.33Å; I39-N41 PolarHBondContact O-N 3.03Å; N41-A43 VanDerWaalsContact C-N 3.31Å; N41-A43 PolarHBondContact O-N 3.35Å; N41-K44 PolarHBondContact O-N 2.88Å; N41-D45 PolarHBondContact O-N 3.3Å
42	V	92.3	Very high	90.9	Very high	3 Å²	3	68.8 Å²	68.8	2%	0.018	36%	0.357	C	S	.	.	H	α-helix	trans	-64.5	-38	176.4	170.6	0	0	0	0	111.2	L26 R29 R30 L33 E38 I39 K44 D45 C46	L26-V42 HydrophobicContact CD2-CG1 4.23Å; R29-V42 HydrophobicContact CG-CG2 4.26Å; R30-V42 HydrophobicContact CB-CG1 3.99Å; L33-V42 HydrophobicContact CD1-CB 4.13Å; L33-V42 HydrophobicContact CD1-CG2 3.48Å; L33-V42 VanDerWaalsContact CD1-CG2 3.48Å; E38-V42 WeakPolarHBondContact O-CG2 3.24Å; E38-V42 PolarHBondContact O-N 2.83Å; I39-V42 PolarHBondContact O-N 2.85Å; V42-K44 VanDerWaalsContact C-N 3.33Å; V42-K44 PolarHBondContact O-N 2.8Å; V42-D45 PolarHBondContact O-N 3.03Å; V42-C46 WeakPolarHBondContact O-CB 3.4Å; V42-C46 PolarHBondContact O-N 3.06Å; V42-C46 PolarHBondContact O-SG 3.47Å
43	A	91.2	Very high	91.4	Very high	2 Å²	2	64.7 Å²	64.7	2%	0.017	33%	0.328	C	S	.	.	H	α-helix	trans	-61.5	-43.3	175.7	0	0	0	0	0	111.6	I39 A40 N41 C46 M47 G96	I39-A43 WeakPolarHBondContact O-CB 3.49Å; I39-A43 PolarHBondContact O-N 2.84Å; A40-A43 PolarHBondContact O-N 3.23Å; N41-A43 VanDerWaalsContact C-N 3.31Å; N41-A43 PolarHBondContact O-N 3.35Å; A43-C46 WeakPolarHBondContact O-CB 3.35Å; A43-C46 PolarHBondContact O-N 2.84Å; A43-M47 WeakPolarHBondContact O-CG 3.28Å; A43-M47 PolarHBondContact O-N 3.06Å; A43-M47 VanDerWaalsContact O-N 3.09Å; A43-G96 VanDerWaalsContact O-CA 3.25Å; A43-G96 WeakPolarHBondContact O-CA 3.37Å
44	K	92.2	Very high	91.6	Very high	136 Å²	136	67 Å²	67	59%	0.591	34%	0.338	S	S	*	.	H	α-helix	trans	-61.8	-47.3	174.8	-172.9	-177.6	175.6	-174	0	111.8	A40 N41 V42 C46 M47 D48	A40-K44 PolarHBondContact O-N 3.2Å; N41-K44 PolarHBondContact O-N 2.88Å; V42-K44 VanDerWaalsContact C-N 3.33Å; V42-K44 PolarHBondContact O-N 2.8Å; K44-C46 VanDerWaalsContact C-N 3.27Å; K44-C46 PolarHBondContact O-N 3.42Å; K44-M47 PolarHBondContact O-N 3.37Å; K44-M47 VanDerWaalsContact O-N 3.09Å; K44-D48 PolarHBondContact O-N 2.95Å
45	D	95	Very high	92.1	Very high	55 Å²	55	64.4 Å²	64.4	29%	0.294	32%	0.324	S	S	.	.	H	α-helix	trans	-59.5	-39.3	176.4	-82.3	14.6	0	0	0	111.4	R22 L26 N41 V42 M47 D48 V49	R22-D45 IonicContact NH2-OD2 3.73Å; R22-D45 PolarHBondContact NH2-OD2 3.22Å; R22-D45 VanDerWaalsContact NH2-OD2 3.11Å; L26-D45 HydrophobicContact CD1-CB 4Å; L26-D45 HydrophobicContact CD2-CB 3.54Å; L26-D45 HydrophobicContact CG-CB 4.44Å; N41-D45 PolarHBondContact O-N 3.3Å; V42-D45 PolarHBondContact O-N 3.03Å; D45-M47 VanDerWaalsContact C-N 3.32Å; D45-M47 PolarHBondContact O-N 3.16Å; D45-D48 PolarHBondContact O-N 3.05Å; D45-V49 WeakPolarHBondContact O-CG2 3.38Å; D45-V49 PolarHBondContact O-N 3.47Å
46	C	93.6	Very high	92.2	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-58.9	-43.8	174.3	-74.6	0	0	0	0	111.5	V42 A43 K44 V49 A50 L92	V42-C46 WeakPolarHBondContact O-CB 3.4Å; V42-C46 PolarHBondContact O-N 3.06Å; V42-C46 PolarHBondContact O-SG 3.47Å; A43-C46 WeakPolarHBondContact O-CB 3.35Å; A43-C46 PolarHBondContact O-N 2.84Å; K44-C46 VanDerWaalsContact C-N 3.27Å; K44-C46 PolarHBondContact O-N 3.42Å; C46-V49 PolarHBondContact O-N 3.09Å; C46-A50 WeakPolarHBondContact O-CB 3.45Å; C46-A50 PolarHBondContact O-N 3.47Å; C46-L92 HydrophobicContact CB-CB 4.41Å; C46-L92 HydrophobicContact CB-CD2 3.99Å
47	M	93.1	Very high	92.4	Very high	65 Å²	65	53.1 Å²	53.1	32%	0.32	27%	0.272	S	S	.	.	H	α-helix	trans	-67.9	-37.1	178.7	-68.3	-58.5	-64.8	0	0	112.7	A43 K44 D45 A50 K51 L93 G96	A43-M47 WeakPolarHBondContact O-CG 3.28Å; A43-M47 PolarHBondContact O-N 3.06Å; A43-M47 VanDerWaalsContact O-N 3.09Å; K44-M47 PolarHBondContact O-N 3.37Å; K44-M47 VanDerWaalsContact O-N 3.09Å; D45-M47 VanDerWaalsContact C-N 3.32Å; D45-M47 PolarHBondContact O-N 3.16Å; M47-A50 PolarHBondContact O-N 3.42Å; M47-K51 PolarHBondContact O-N 3.37Å; M47-K51 VanDerWaalsContact O-N 3.11Å; M47-L93 HydrophobicContact CE-CD2 4.23Å; M47-L93 HydrophobicContact SD-CD2 4.24Å; M47-G96 WeakPolarHBondContact CG-O 3.34Å
48	D	95	Very high	92.5	Very high	76 Å²	76	52.6 Å²	52.6	41%	0.406	27%	0.266	S	S	.	.	H	α-helix	trans	-68	-39.9	177.3	-74.5	-17.5	0	0	0	111.5	K44 D45 K52	K44-D48 PolarHBondContact O-N 2.95Å; D45-D48 PolarHBondContact O-N 3.05Å; D48-K52 PolarHBondContact O-N 3.25Å
49	V	95.7	Very high	92.4	Very high	11 Å²	11	51.9 Å²	51.9	7%	0.067	27%	0.265	C	S	.	.	H	α-helix	trans	-70.5	-39.9	174.5	177.6	0	0	0	0	111.1	L19 R22 L26 D45 C46 K51 K52 L53 L92	L19-V49 HydrophobicContact CD2-CG1 4.16Å; R22-V49 HydrophobicContact CB-CG2 4.5Å; R22-V49 HydrophobicContact CG-CG2 3.69Å; L26-V49 HydrophobicContact CD1-CB 4.25Å; L26-V49 HydrophobicContact CD1-CG2 3.71Å; D45-V49 WeakPolarHBondContact O-CG2 3.38Å; D45-V49 PolarHBondContact O-N 3.47Å; C46-V49 PolarHBondContact O-N 3.09Å; V49-K51 VanDerWaalsContact C-N 3.33Å; V49-K51 PolarHBondContact O-N 3.07Å; V49-K52 PolarHBondContact O-N 3.48Å; V49-L53 HydrophobicContact CG1-CD1 4.16Å; V49-L53 PolarHBondContact O-N 2.85Å; V49-L92 HydrophobicContact CB-CD1 4.03Å; V49-L92 HydrophobicContact CG1-CD1 3.6Å
50	A	93.5	Very high	92.2	Very high	2 Å²	2	50.2 Å²	50.2	2%	0.017	26%	0.256	C	S	.	.	H	α-helix	trans	-56.9	-44.8	176.9	0	0	0	0	0	111.8	C46 M47 K52 L53 E54 L89 L92 L93	C46-A50 WeakPolarHBondContact O-CB 3.45Å; C46-A50 PolarHBondContact O-N 3.47Å; M47-A50 PolarHBondContact O-N 3.42Å; A50-K52 PolarHBondContact O-N 3.31Å; A50-L53 WeakPolarHBondContact O-CB 3.07Å; A50-L53 PolarHBondContact O-N 2.8Å; A50-E54 PolarHBondContact O-N 3.42Å; A50-L89 HydrophobicContact CB-CD1 3.77Å; A50-L89 WeakPolarHBondContact O-CD1 3.33Å; A50-L92 HydrophobicContact CB-CB 4Å; A50-L92 HydrophobicContact CB-CD1 4.36Å; A50-L93 HydrophobicContact CB-CD2 4.22Å; A50-L93 HydrophobicContact CB-CG 4.49Å
51	K	93.6	Very high	92	Very high	131 Å²	131	53.3 Å²	53.3	57%	0.57	27%	0.266	S	S	*	.	H	α-helix	trans	-58.7	-46.1	175.9	-78.7	177.2	179.3	172.8	0	112.6	M47 V49 L53 E54 D55	M47-K51 PolarHBondContact O-N 3.37Å; M47-K51 VanDerWaalsContact O-N 3.11Å; V49-K51 VanDerWaalsContact C-N 3.33Å; V49-K51 PolarHBondContact O-N 3.07Å; K51-L53 VanDerWaalsContact C-N 3.3Å; K51-L53 PolarHBondContact O-N 3.43Å; K51-E54 WeakPolarHBondContact O-CB 3.34Å; K51-E54 PolarHBondContact O-N 3.38Å; K51-D55 PolarHBondContact O-N 3.22Å; K51-D55 VanDerWaalsContact O-N 3.09Å
52	K	95.2	Very high	91.7	Very high	113 Å²	113	55.9 Å²	55.9	49%	0.491	27%	0.273	S	S	.	.	H	α-helix	trans	-64.6	-36.5	178	-65.4	177.7	-177.6	-178.9	0	111.9	L19 D48 V49 A50 D55 V56	L19-K52 HydrophobicContact CD1-CB 3.82Å; L19-K52 HydrophobicContact CD2-CB 3.68Å; L19-K52 HydrophobicContact CD2-CD 3.82Å; L19-K52 HydrophobicContact CD2-CG 4.42Å; L19-K52 HydrophobicContact CG-CB 4.44Å; D48-K52 PolarHBondContact O-N 3.25Å; V49-K52 PolarHBondContact O-N 3.48Å; A50-K52 PolarHBondContact O-N 3.31Å; K52-D55 PolarHBondContact O-N 3.13Å; K52-V56 WeakPolarHBondContact O-CG2 3.44Å; K52-V56 PolarHBondContact O-N 2.76Å; K52-V56 VanDerWaalsContact O-N 3.13Å
53	L	94	Very high	91.2	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-65.7	-39.2	174.1	-105.7	156.6	0	0	0	111.8	L19 S23 V49 A50 K51 D55 V56 I57 A85 L92	L19-L53 HydrophobicContact CB-CG 4.24Å; L19-L53 HydrophobicContact CD1-CG 4.41Å; S23-L53 WeakPolarHBondContact OG-CD1 3.29Å; V49-L53 HydrophobicContact CG1-CD1 4.16Å; V49-L53 PolarHBondContact O-N 2.85Å; A50-L53 WeakPolarHBondContact O-CB 3.07Å; A50-L53 PolarHBondContact O-N 2.8Å; K51-L53 VanDerWaalsContact C-N 3.3Å; K51-L53 PolarHBondContact O-N 3.43Å; L53-D55 VanDerWaalsContact C-N 3.32Å; L53-D55 PolarHBondContact O-N 3.45Å; L53-V56 PolarHBondContact O-N 3.37Å; L53-I57 VanDerWaalsContact O-CG1 3.29Å; L53-I57 WeakPolarHBondContact O-CG1 3.26Å; L53-I57 PolarHBondContact O-N 3.46Å; L53-A85 HydrophobicContact CD2-CB 3.55Å; L53-L92 HydrophobicContact CD1-CD1 3.63Å
54	E	92.8	Very high	90.5	Very high	71 Å²	71	61.3 Å²	61.3	33%	0.332	31%	0.307	S	S	.	.	H	α-helix	trans	-63.1	-37.9	175.6	-162.9	166.9	-143.9	0	0	111.7	A50 K51 I57 T58 L89 R111	A50-E54 PolarHBondContact O-N 3.42Å; K51-E54 WeakPolarHBondContact O-CB 3.34Å; K51-E54 PolarHBondContact O-N 3.38Å; E54-I57 PolarHBondContact O-N 3.5Å; E54-T58 WeakPolarHBondContact O-CB 3.42Å; E54-T58 PolarHBondContact O-N 2.96Å; E54-T58 PolarHBondContact O-OG1 3.46Å; E54-L89 HydrophobicContact CB-CD1 4.48Å; E54-L89 HydrophobicContact CB-CD2 4.36Å; E54-L89 HydrophobicContact CG-CD2 4.41Å; E54-R111 IonicContact OE1-CZ 3.62Å; E54-R111 IonicContact OE1-NE 3.21Å; E54-R111 IonicContact OE1-NH2 2.85Å; E54-R111 PolarHBondContact OE1-NH2 2.88Å
55	D	92.4	Very high	89.5	Confident	101 Å²	101	55.9 Å²	55.9	54%	0.54	28%	0.284	S	S	.	.	H	α-helix	trans	-63.8	-42.9	172.4	-70.3	-27.3	0	0	0	112.1	K51 K52 L53 T58 N59	K51-D55 PolarHBondContact O-N 3.22Å; K51-D55 VanDerWaalsContact O-N 3.09Å; K52-D55 PolarHBondContact O-N 3.13Å; L53-D55 VanDerWaalsContact C-N 3.32Å; L53-D55 PolarHBondContact O-N 3.45Å; D55-T58 PolarHBondContact O-N 3.04Å; D55-N59 PolarHBondContact O-N 2.96Å; D55-N59 PolarHBondContact O-ND2 3.42Å
56	V	91.6	Very high	88.5	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-62.9	-46.3	176.5	170.2	0	0	0	0	111.1	Q15 F16 L19 K52 L53 T58 N59 I60	Q15-V56 HydrophobicContact CG-CG2 3.89Å; F16-V56 HydrophobicContact CB-CG1 4.27Å; L19-V56 HydrophobicContact CD1-CG2 3.82Å; K52-V56 WeakPolarHBondContact O-CG2 3.44Å; K52-V56 PolarHBondContact O-N 2.76Å; K52-V56 VanDerWaalsContact O-N 3.13Å; L53-V56 PolarHBondContact O-N 3.37Å; V56-T58 VanDerWaalsContact C-N 3.33Å; V56-T58 PolarHBondContact O-N 3.48Å; V56-N59 PolarHBondContact O-N 3.16Å; V56-N59 VanDerWaalsContact O-N 3.13Å; V56-I60 HydrophobicContact CG1-CD1 3.79Å; V56-I60 HydrophobicContact CG1-CG1 4.44Å; V56-I60 WeakPolarHBondContact O-CG1 3.38Å; V56-I60 PolarHBondContact O-N 3.36Å
57	I	90	Very high	87.5	Confident	21 Å²	21	61.3 Å²	61.3	11%	0.108	32%	0.316	C	S	.	.	H	α-helix	trans	-59.7	-45.7	176.8	-68.4	164.8	0	0	0	110.4	L53 E54 N59 I60 D61 A85 L89	L53-I57 VanDerWaalsContact O-CG1 3.29Å; L53-I57 WeakPolarHBondContact O-CG1 3.26Å; L53-I57 PolarHBondContact O-N 3.46Å; E54-I57 PolarHBondContact O-N 3.5Å; I57-N59 PolarHBondContact O-N 3.47Å; I57-I60 WeakPolarHBondContact O-CB 3.48Å; I57-I60 PolarHBondContact O-N 3.31Å; I57-I60 VanDerWaalsContact O-N 3.09Å; I57-D61 PolarHBondContact O-N 3.23Å; I57-A85 HydrophobicContact CD1-CB 4.06Å; I57-A85 HydrophobicContact CG1-CB 3.67Å; I57-L89 HydrophobicContact CD1-CB 4.04Å; I57-L89 HydrophobicContact CD1-CD2 3.68Å; I57-L89 HydrophobicContact CD1-CG 4.48Å
58	T	90.2	Very high	86.3	Confident	60 Å²	60	66.7 Å²	66.7	37%	0.368	34%	0.34	S	S	.	.	H	α-helix	trans	-59	-36.2	177.1	-59.9	0	0	0	0	112	E54 D55 V56 K62	E54-T58 WeakPolarHBondContact O-CB 3.42Å; E54-T58 PolarHBondContact O-N 2.96Å; E54-T58 PolarHBondContact O-OG1 3.46Å; D55-T58 PolarHBondContact O-N 3.04Å; V56-T58 VanDerWaalsContact C-N 3.33Å; V56-T58 PolarHBondContact O-N 3.48Å; T58-K62 VanDerWaalsContact O-CG 3.26Å; T58-K62 WeakPolarHBondContact O-CG 3.45Å; T58-K62 PolarHBondContact O-N 2.56Å
59	N	88.8	Confident	84.8	Confident	58 Å²	58	66 Å²	66	31%	0.31	34%	0.337	S	S	.	.	H	α-helix	trans	-74.8	-36	176.4	-69.9	-25.4	0	0	0	112.5	L12 D55 V56 I57 K62 L63	L12-N59 HydrophobicContact CD1-CB 3.64Å; L12-N59 HydrophobicContact CD2-CB 4.44Å; D55-N59 PolarHBondContact O-N 2.96Å; D55-N59 PolarHBondContact O-ND2 3.42Å; V56-N59 PolarHBondContact O-N 3.16Å; V56-N59 VanDerWaalsContact O-N 3.13Å; I57-N59 PolarHBondContact O-N 3.47Å; N59-K62 PolarHBondContact O-N 3.44Å; N59-L63 WeakPolarHBondContact O-CG 3.15Å; N59-L63 PolarHBondContact O-N 3Å
60	I	85.1	Confident	83.1	Confident	6 Å²	6	74.5 Å²	74.5	3%	0.031	38%	0.376	C	S	.	.	H	α-helix	trans	-59.5	-47.7	171.4	-70.2	160.7	0	0	0	110.4	L12 V56 I57 K62 L63 G64 L65 Y66 L82	L12-I60 HydrophobicContact CD2-CG1 3.69Å; V56-I60 HydrophobicContact CG1-CD1 3.79Å; V56-I60 HydrophobicContact CG1-CG1 4.44Å; V56-I60 WeakPolarHBondContact O-CG1 3.38Å; V56-I60 PolarHBondContact O-N 3.36Å; I57-I60 WeakPolarHBondContact O-CB 3.48Å; I57-I60 PolarHBondContact O-N 3.31Å; I57-I60 VanDerWaalsContact O-N 3.09Å; I60-K62 VanDerWaalsContact C-N 3.3Å; I60-K62 PolarHBondContact O-N 3.03Å; I60-L63 WeakPolarHBondContact O-CB 3.44Å; I60-L63 PolarHBondContact O-N 3.21Å; I60-G64 PolarHBondContact O-N 2.85Å; I60-L65 HydrophobicContact CG2-CD1 4.2Å; I60-Y66 HydrophobicContact CG2-CD2 4.48Å; I60-Y66 HydrophobicContact CG2-CE2 3.64Å; I60-L82 HydrophobicContact CD1-CB 3.78Å; I60-L82 HydrophobicContact CD1-CD1 4.15Å; I60-L82 HydrophobicContact CD1-CD2 4.2Å; I60-L82 HydrophobicContact CD1-CG 4.26Å; I60-L82 HydrophobicContact CG1-CD1 4.11Å
61	D	84.4	Confident	82	Confident	108 Å²	108	80.3 Å²	80.3	58%	0.578	40%	0.403	S	S	*	.	H	α-helix	trans	-61.5	-39.9	-179.2	-70.2	-17	0	0	0	111.5	I57 L63 G64	I57-D61 PolarHBondContact O-N 3.23Å; D61-L63 VanDerWaalsContact C-N 3.26Å; D61-L63 PolarHBondContact O-N 2.92Å; D61-G64 PolarHBondContact O-N 2.86Å; D61-G64 VanDerWaalsContact O-N 3.14Å
62	K	85.7	Confident	81	Confident	154 Å²	154	79.7 Å²	79.7	67%	0.67	41%	0.405	S	S	*	.	H	α-helix	trans	-63.8	-29.3	175	-74	169.7	-171.4	164.9	0	113.4	T58 N59 I60 G64	T58-K62 VanDerWaalsContact O-CG 3.26Å; T58-K62 WeakPolarHBondContact O-CG 3.45Å; T58-K62 PolarHBondContact O-N 2.56Å; N59-K62 PolarHBondContact O-N 3.44Å; I60-K62 VanDerWaalsContact C-N 3.3Å; I60-K62 PolarHBondContact O-N 3.03Å; K62-G64 VanDerWaalsContact C-N 3.25Å
63	L	81.9	Confident	80.2	Confident	93 Å²	93	81.4 Å²	81.4	49%	0.487	42%	0.419	S	S	.	.	H	α-helix	trans	-77	-13.8	177.7	-68.7	170.2	0	0	0	112.3	L12 N59 I60 D61 L65	L12-L63 HydrophobicContact CD2-CD1 4.15Å; N59-L63 WeakPolarHBondContact O-CG 3.15Å; N59-L63 PolarHBondContact O-N 3Å; I60-L63 WeakPolarHBondContact O-CB 3.44Å; I60-L63 PolarHBondContact O-N 3.21Å; D61-L63 VanDerWaalsContact C-N 3.26Å; D61-L63 PolarHBondContact O-N 2.92Å; L63-L65 HydrophobicContact CB-CD1 4.19Å; L63-L65 HydrophobicContact CB-CG 3.83Å; L63-L65 HydrophobicContact CD1-CD1 4.11Å; L63-L65 PolarHBondContact O-N 3.05Å
64	G	77.8	Confident	79.2	Confident	26 Å²	26	86.1 Å²	86.1	27%	0.268	44%	0.444	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.2	23.3	178.2	0	0	0	0	0	113.8	I60 D61 K62 Y66 S67	I60-G64 PolarHBondContact O-N 2.85Å; D61-G64 PolarHBondContact O-N 2.86Å; D61-G64 VanDerWaalsContact O-N 3.14Å; K62-G64 VanDerWaalsContact C-N 3.25Å; G64-Y66 PolarHBondContact O-N 3.01Å; G64-S67 WeakPolarHBondContact CA-OG 3.32Å; G64-S67 PolarHBondContact O-N 3.38Å; G64-S67 PolarHBondContact O-OG 3.38Å
65	L	71.2	Confident	78.4	Confident	22 Å²	22	83.7 Å²	83.7	12%	0.115	43%	0.433	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-24.3	-170.6	-74.4	167.3	0	0	0	114.4	L8 I60 L63 N69 L82	L8-L65 HydrophobicContact CD1-CD1 3.76Å; L8-L65 HydrophobicContact CD1-CD2 4.24Å; L8-L65 HydrophobicContact CG-CD1 4.31Å; I60-L65 HydrophobicContact CG2-CD1 4.2Å; L63-L65 HydrophobicContact CB-CD1 4.19Å; L63-L65 HydrophobicContact CB-CG 3.83Å; L63-L65 HydrophobicContact CD1-CD1 4.11Å; L63-L65 PolarHBondContact O-N 3.05Å; L65-N69 PolarHBondContact O-ND2 2.75Å; L65-L82 HydrophobicContact CD1-CD1 4.32Å
66	Y	73.3	Confident	77.8	Confident	74 Å²	74	81.4 Å²	81.4	29%	0.29	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.3	-2.1	-178.1	-45.9	-58.9	0	0	0	113.6	I60 G64 I75 D79 M83	I60-Y66 HydrophobicContact CG2-CD2 4.48Å; I60-Y66 HydrophobicContact CG2-CE2 3.64Å; G64-Y66 PolarHBondContact O-N 3.01Å; Y66-I75 HydrophobicContact CD1-CD1 4Å; Y66-I75 HydrophobicContact CD1-CG2 4.38Å; Y66-I75 HydrophobicContact CE1-CG2 4.15Å; Y66-D79 PolarHBondContact OH-O 3.19Å; Y66-M83 HydrophobicContact CE1-CG 3.98Å; Y66-M83 HydrophobicContact CE1-SD 4.34Å; Y66-M83 HydrophobicContact CE2-CG 4.3Å; Y66-M83 WeakPolarHBondContact OH-CG 3.45Å
67	S	72.9	Confident	77.3	Confident	96 Å²	96	86.2 Å²	86.2	67%	0.671	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-22.5	-170.9	58.9	0	0	0	0	114.4	G64	G64-S67 WeakPolarHBondContact CA-OG 3.32Å; G64-S67 PolarHBondContact O-N 3.38Å; G64-S67 PolarHBondContact O-OG 3.38Å
68	E	66.8	Low	76.9	Confident	178 Å²	178	91.2 Å²	91.2	83%	0.832	48%	0.479	S	S	*	.	S	Bend	trans	-114	-3.6	-177.9	-61.2	-164.9	162.6	0	0	114.2	E70	E68-E70 PolarHBondContact O-N 3.46Å
69	N	63.5	Low	76.4	Confident	62 Å²	62	89.2 Å²	89.2	33%	0.332	47%	0.466	S	S	.	.			trans	-91.1	108.6	-177.4	-69.8	-39.7	0	0	0	110.2	L65 D74 I75	L65-N69 PolarHBondContact O-ND2 2.75Å; N69-D74 HydrophobicContact CB-CB 4.13Å; N69-I75 HydrophobicContact CB-CD1 4.25Å; N69-I75 HydrophobicContact CB-CG1 3.7Å
70	E	59.8	Low	76	Confident	188 Å²	188	88.6 Å²	88.6	88%	0.879	46%	0.463	S	S	*	.	S	Bend	trans	-71.5	-30.9	178.9	-78.9	-171.4	162.1	0	0	112.2	E68	E68-E70 PolarHBondContact O-N 3.46Å
71	Q	71.7	Confident	76	Confident	125 Å²	125	94.7 Å²	94.7	58%	0.584	49%	0.485	S	S	*	.	S	Bend	trans	-123.7	149	179.4	-55.8	-154.6	4.7	0	0	112.5	D73 D74	Q71-D73 PolarHBondContact O-N 3.45Å; Q71-D74 PolarHBondContact N-OD2 3.11Å; Q71-D74 VanDerWaalsContact N-OD2 3.11Å; Q71-D74 WeakPolarHBondContact O-CB 3.48Å; Q71-D74 PolarHBondContact O-N 3.46Å
72	L	71.9	Confident	76.1	Confident	117 Å²	117	89.6 Å²	89.6	61%	0.613	46%	0.458	S	S	*	.	G	3₁₀ helix	trans	-55.8	-33.9	176.4	-93.8	156.7	0	0	0	112.5	D74 I75 L80	L72-D74 PolarHBondContact O-N 3.18Å; L72-I75 PolarHBondContact O-N 3.43Å; L72-L80 HydrophobicContact CD2-CD2 3.48Å; L72-L80 VanDerWaalsContact CD2-CD2 3.48Å
73	D	77.8	Confident	76	Confident	149 Å²	149	86.5 Å²	86.5	80%	0.797	45%	0.447	S	S	*	.	G	3₁₀ helix	trans	-69.9	-16.1	-179	-67.8	-17.2	0	0	0	112.9	Q71 I75	Q71-D73 PolarHBondContact O-N 3.45Å; D73-I75 VanDerWaalsContact C-N 3.3Å
74	D	74.7	Confident	76.3	Confident	99 Å²	99	87 Å²	87	53%	0.529	45%	0.445	S	S	.	.	G	3₁₀ helix	trans	-79.3	-17.2	175.5	-57.2	-40.7	0	0	0	112	N69 Q71 L72	N69-D74 HydrophobicContact CB-CB 4.13Å; Q71-D74 PolarHBondContact N-OD2 3.11Å; Q71-D74 VanDerWaalsContact N-OD2 3.11Å; Q71-D74 WeakPolarHBondContact O-CB 3.48Å; Q71-D74 PolarHBondContact O-N 3.46Å; L72-D74 PolarHBondContact O-N 3.18Å
75	I	74.2	Confident	77	Confident	20 Å²	20	85.8 Å²	85.8	10%	0.103	43%	0.433	C	S	.	.	S	Bend	trans	-90.8	125.7	-177.1	-55.2	167.6	0	0	0	109.4	Y66 N69 L72 D73 T77 D79 L80	Y66-I75 HydrophobicContact CD1-CD1 4Å; Y66-I75 HydrophobicContact CD1-CG2 4.38Å; Y66-I75 HydrophobicContact CE1-CG2 4.15Å; N69-I75 HydrophobicContact CB-CD1 4.25Å; N69-I75 HydrophobicContact CB-CG1 3.7Å; L72-I75 PolarHBondContact O-N 3.43Å; D73-I75 VanDerWaalsContact C-N 3.3Å; I75-T77 PolarHBondContact O-N 2.75Å; I75-D79 HydrophobicContact CG2-CB 3.72Å; I75-L80 HydrophobicContact CB-CD2 3.84Å; I75-L80 HydrophobicContact CB-CG 4.01Å; I75-L80 HydrophobicContact CD1-CD2 3.95Å; I75-L80 HydrophobicContact CG2-CD2 3.74Å; I75-L80 HydrophobicContact CG2-CG 3.73Å
76	A	80.5	Confident	77.8	Confident	54 Å²	54	86.5 Å²	86.5	45%	0.446	44%	0.44	S	S	.	.			trans	-58.6	141.1	176.5	0	0	0	0	0	111	K78 D79 L80	A76-K78 PolarHBondContact O-N 3.39Å; A76-D79 WeakPolarHBondContact O-CA 3.34Å; A76-D79 WeakPolarHBondContact O-CB 3.48Å; A76-D79 PolarHBondContact O-N 3.21Å; A76-L80 PolarHBondContact O-N 2.84Å
77	T	81.4	Confident	78.6	Confident	100 Å²	100	85.3 Å²	85.3	61%	0.613	45%	0.445	S	S	*	.	H	α-helix	trans	-56	-30.7	-176.1	-50.5	0	0	0	0	113.5	I75 D79 R81	I75-T77 PolarHBondContact O-N 2.75Å; T77-D79 VanDerWaalsContact C-N 3.34Å; T77-R81 PolarHBondContact O-N 2.91Å
78	K	81.9	Confident	79.6	Confident	126 Å²	126	81.8 Å²	81.8	55%	0.548	42%	0.417	S	S	.	.	H	α-helix	trans	-65.5	-40.7	175.6	-68.4	-174.8	179.9	-176.1	0	111	Y13 A76 R81 L82	Y13-K78 HydrophobicContact CD1-CD 4.29Å; Y13-K78 HydrophobicContact CD2-CB 3.89Å; Y13-K78 HydrophobicContact CE1-CD 4.19Å; Y13-K78 HydrophobicContact CE1-CG 4.26Å; Y13-K78 HydrophobicContact CE2-CB 3.7Å; Y13-K78 HydrophobicContact CE2-CG 4.11Å; Y13-K78 WeakPolarHBondContact CE2-O 3.46Å; Y13-K78 HydrophobicContact CG-CB 4.46Å; A76-K78 PolarHBondContact O-N 3.39Å; K78-R81 WeakPolarHBondContact O-CB 3.28Å; K78-R81 PolarHBondContact O-N 2.89Å; K78-L82 PolarHBondContact O-N 3.46Å
79	D	78.9	Confident	80.8	Confident	18 Å²	18	73.5 Å²	73.5	10%	0.096	38%	0.379	C	S	.	.	H	α-helix	trans	-74.2	-34.4	-177.1	-45	3.9	0	0	0	109.8	L8 Y66 I75 A76 T77 R81 L82	L8-D79 HydrophobicContact CD1-CB 4.03Å; L8-D79 WeakPolarHBondContact CD1-OD1 3.21Å; Y66-D79 PolarHBondContact OH-O 3.19Å; I75-D79 HydrophobicContact CG2-CB 3.72Å; A76-D79 WeakPolarHBondContact O-CA 3.34Å; A76-D79 WeakPolarHBondContact O-CB 3.48Å; A76-D79 PolarHBondContact O-N 3.21Å; T77-D79 VanDerWaalsContact C-N 3.34Å; D79-R81 VanDerWaalsContact C-N 3.28Å; D79-R81 PolarHBondContact O-N 3.48Å; D79-L82 WeakPolarHBondContact O-CB 3.45Å; D79-L82 PolarHBondContact O-N 3.24Å
80	L	81.6	Confident	82	Confident	46 Å²	46	70.8 Å²	70.8	24%	0.241	37%	0.365	C	S	.	.	H	α-helix	trans	-60.7	-36.7	169.8	-71.1	175	0	0	0	112.3	L72 I75 A76 L82 M83	L72-L80 HydrophobicContact CD2-CD2 3.48Å; L72-L80 VanDerWaalsContact CD2-CD2 3.48Å; I75-L80 HydrophobicContact CB-CD2 3.84Å; I75-L80 HydrophobicContact CB-CG 4.01Å; I75-L80 HydrophobicContact CD1-CD2 3.95Å; I75-L80 HydrophobicContact CG2-CD2 3.74Å; I75-L80 HydrophobicContact CG2-CG 3.73Å; A76-L80 PolarHBondContact O-N 2.84Å; L80-L82 VanDerWaalsContact C-N 3.28Å; L80-L82 PolarHBondContact O-N 3.44Å; L80-M83 HydrophobicContact CB-CE 4.09Å; L80-M83 HydrophobicContact CD2-CE 3.36Å; L80-M83 HydrophobicContact CD2-SD 4.38Å; L80-M83 HydrophobicContact CG-CE 4.34Å; L80-M83 VanDerWaalsContact O-CB 3.32Å; L80-M83 WeakPolarHBondContact O-CB 3.26Å; L80-M83 WeakPolarHBondContact O-CE 3.04Å; L80-M83 WeakPolarHBondContact O-CG 3.25Å; L80-M83 PolarHBondContact O-N 2.96Å
81	R	84.7	Confident	83.5	Confident	133 Å²	133	66 Å²	66	50%	0.502	35%	0.345	S	S	.	.	H	α-helix	trans	-67.1	-30.6	177.3	-73.3	175.2	177.3	174.9	-1.1	112.5	Y13 F16 T77 K78 D79 M83 K84	Y13-R81 HydrophobicContact CE2-CB 4.34Å; Y13-R81 WeakPolarHBondContact OH-CD 3.47Å; Y13-R81 PolarHBondContact OH-NH1 2.94Å; F16-R81 HydrophobicContact CE1-CB 4.29Å; F16-R81 WeakPolarHBondContact CZ-O 3.41Å; T77-R81 PolarHBondContact O-N 2.91Å; K78-R81 WeakPolarHBondContact O-CB 3.28Å; K78-R81 PolarHBondContact O-N 2.89Å; D79-R81 VanDerWaalsContact C-N 3.28Å; D79-R81 PolarHBondContact O-N 3.48Å; R81-M83 PolarHBondContact O-N 2.65Å; R81-K84 WeakPolarHBondContact O-CB 3.29Å; R81-K84 WeakPolarHBondContact O-CG 3.39Å; R81-K84 PolarHBondContact O-N 3.42Å
82	L	86.1	Confident	84.5	Confident	1 Å²	1	60 Å²	60	1%	0.005	32%	0.318	C	S	.	.	H	α-helix	trans	-61.3	-23.7	176.3	-64.5	175.5	0	0	0	112.1	L8 Y13 F16 I60 L65 K78 D79 L80 K84 A85	L8-L82 HydrophobicContact CD1-CD1 3.61Å; L8-L82 HydrophobicContact CD2-CD1 3.99Å; L8-L82 HydrophobicContact CG-CD1 4.44Å; Y13-L82 HydrophobicContact CD2-CD2 4.06Å; Y13-L82 HydrophobicContact CD2-CG 4.32Å; F16-L82 HydrophobicContact CB-CD2 3.39Å; F16-L82 HydrophobicContact CD1-CD2 3.56Å; F16-L82 HydrophobicContact CD2-CD2 4.04Å; F16-L82 HydrophobicContact CE1-CD2 4.36Å; F16-L82 HydrophobicContact CG-CD2 3.36Å; I60-L82 HydrophobicContact CD1-CB 3.78Å; I60-L82 HydrophobicContact CD1-CD1 4.15Å; I60-L82 HydrophobicContact CD1-CD2 4.2Å; I60-L82 HydrophobicContact CD1-CG 4.26Å; I60-L82 HydrophobicContact CG1-CD1 4.11Å; L65-L82 HydrophobicContact CD1-CD1 4.32Å; K78-L82 PolarHBondContact O-N 3.46Å; D79-L82 WeakPolarHBondContact O-CB 3.45Å; D79-L82 PolarHBondContact O-N 3.24Å; L80-L82 VanDerWaalsContact C-N 3.28Å; L80-L82 PolarHBondContact O-N 3.44Å; L82-K84 PolarHBondContact O-N 3.18Å; L82-K84 VanDerWaalsContact O-N 3.11Å; L82-A85 WeakPolarHBondContact O-CB 3.47Å; L82-A85 PolarHBondContact O-N 3.22Å
83	M	83.4	Confident	85.3	Confident	90 Å²	90	55.8 Å²	55.8	44%	0.443	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-22.2	173.7	-61	-168.7	-66.3	0	0	113.2	Y66 L80 R81 A85	Y66-M83 HydrophobicContact CE1-CG 3.98Å; Y66-M83 HydrophobicContact CE1-SD 4.34Å; Y66-M83 HydrophobicContact CE2-CG 4.3Å; Y66-M83 WeakPolarHBondContact OH-CG 3.45Å; L80-M83 HydrophobicContact CB-CE 4.09Å; L80-M83 HydrophobicContact CD2-CE 3.36Å; L80-M83 HydrophobicContact CD2-SD 4.38Å; L80-M83 HydrophobicContact CG-CE 4.34Å; L80-M83 VanDerWaalsContact O-CB 3.32Å; L80-M83 WeakPolarHBondContact O-CB 3.26Å; L80-M83 WeakPolarHBondContact O-CE 3.04Å; L80-M83 WeakPolarHBondContact O-CG 3.25Å; L80-M83 PolarHBondContact O-N 2.96Å; R81-M83 PolarHBondContact O-N 2.65Å; M83-A85 PolarHBondContact O-N 2.82Å
84	K	89.3	Confident	85.8	Confident	103 Å²	103	51 Å²	51	45%	0.448	27%	0.272	S	S	.	.	H	α-helix	trans	-69.1	-16.1	173.9	-55.2	-179.6	84.1	-161.1	0	112.3	F16 R81 L82 S86 A87 Y88	F16-K84 HydrophobicContact CZ-CB 4.09Å; R81-K84 WeakPolarHBondContact O-CB 3.29Å; R81-K84 WeakPolarHBondContact O-CG 3.39Å; R81-K84 PolarHBondContact O-N 3.42Å; L82-K84 PolarHBondContact O-N 3.18Å; L82-K84 VanDerWaalsContact O-N 3.11Å; K84-S86 VanDerWaalsContact C-N 3.35Å; K84-S86 PolarHBondContact O-N 3.44Å; K84-A87 WeakPolarHBondContact O-CB 3.47Å; K84-A87 PolarHBondContact O-N 3.28Å; K84-A87 VanDerWaalsContact O-N 3.17Å; K84-Y88 HydrophobicContact CB-CD2 4.25Å; K84-Y88 HydrophobicContact CB-CE2 3.88Å; K84-Y88 PolarHBondContact NZ-OH 3.35Å; K84-Y88 VanDerWaalsContact O-CD2 3.26Å; K84-Y88 WeakPolarHBondContact O-CD2 3.47Å; K84-Y88 PolarHBondContact O-N 3.05Å
85	A	90.6	Very high	86.4	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-56.3	-48.4	179.6	0	0	0	0	0	111.6	F16 L53 I57 L82 M83 A87 Y88 L89	F16-A85 HydrophobicContact CD2-CB 3.9Å; F16-A85 HydrophobicContact CE2-CB 3.79Å; L53-A85 HydrophobicContact CD2-CB 3.55Å; I57-A85 HydrophobicContact CD1-CB 4.06Å; I57-A85 HydrophobicContact CG1-CB 3.67Å; L82-A85 WeakPolarHBondContact O-CB 3.47Å; L82-A85 PolarHBondContact O-N 3.22Å; M83-A85 PolarHBondContact O-N 2.82Å; A85-A87 VanDerWaalsContact C-N 3.29Å; A85-A87 PolarHBondContact O-N 3.35Å; A85-Y88 PolarHBondContact O-N 3.28Å; A85-L89 WeakPolarHBondContact O-CB 3.25Å; A85-L89 PolarHBondContact O-N 3.35Å
86	S	89.2	Confident	86.9	Confident	38 Å²	38	47.7 Å²	47.7	27%	0.266	26%	0.256	S	S	.	.	H	α-helix	trans	-58.5	-40.3	177.1	-62.7	0	0	0	0	112.4	K84 L89 G90 R111	K84-S86 VanDerWaalsContact C-N 3.35Å; K84-S86 PolarHBondContact O-N 3.44Å; S86-L89 PolarHBondContact O-N 2.91Å; S86-G90 PolarHBondContact O-N 3.42Å; S86-R111 VanDerWaalsContact CB-O 3.28Å; S86-R111 WeakPolarHBondContact CB-O 3.34Å
87	A	90	Very high	86.6	Confident	49 Å²	49	46.6 Å²	46.6	41%	0.405	25%	0.245	S	C	.	.	H	α-helix	trans	-66.6	-45.7	176.1	0	0	0	0	0	112.4	K84 A85 L89 G90 L91	K84-A87 WeakPolarHBondContact O-CB 3.47Å; K84-A87 PolarHBondContact O-N 3.28Å; K84-A87 VanDerWaalsContact O-N 3.17Å; A85-A87 VanDerWaalsContact C-N 3.29Å; A85-A87 PolarHBondContact O-N 3.35Å; A87-L89 VanDerWaalsContact C-N 3.34Å; A87-L89 PolarHBondContact O-N 3.47Å; A87-G90 PolarHBondContact O-N 3.08Å; A87-L91 WeakPolarHBondContact O-CG 3.2Å; A87-L91 PolarHBondContact O-N 3.4Å
88	Y	92.7	Very high	85.7	Confident	21 Å²	21	48 Å²	48	8%	0.082	25%	0.249	C	C	.	.	H	α-helix	trans	-62.1	-42.9	174.8	-70	-54.5	0	0	0	111.3	F16 E24 L27 K84 A85 G90 L91 L92	F16-Y88 HydrophobicContact CE2-CD2 4.32Å; F16-Y88 HydrophobicContact CE2-CE2 4.44Å; F16-Y88 HydrophobicContact CZ-CE2 4.32Å; E24-Y88 HydrophobicContact CG-CE1 3.68Å; E24-Y88 PolarHBondContact OE1-OH 3.18Å; L27-Y88 HydrophobicContact CD1-CD1 4.41Å; K84-Y88 HydrophobicContact CB-CD2 4.25Å; K84-Y88 HydrophobicContact CB-CE2 3.88Å; K84-Y88 PolarHBondContact NZ-OH 3.35Å; K84-Y88 VanDerWaalsContact O-CD2 3.26Å; K84-Y88 WeakPolarHBondContact O-CD2 3.47Å; K84-Y88 PolarHBondContact O-N 3.05Å; A85-Y88 PolarHBondContact O-N 3.28Å; Y88-G90 PolarHBondContact O-N 3.38Å; Y88-L91 PolarHBondContact O-N 2.75Å; Y88-L92 WeakPolarHBondContact O-CB 3.38Å; Y88-L92 WeakPolarHBondContact O-CG 3.48Å; Y88-L92 PolarHBondContact O-N 3.09Å
89	L	92.5	Very high	84.5	Confident	4 Å²	4	45.6 Å²	45.6	2%	0.021	25%	0.248	C	C	.	.	H	α-helix	trans	-55.8	-50.5	176.6	176.4	61	0	0	0	111.1	A50 E54 I57 A85 S86 A87 L91 L92 L93 R111	A50-L89 HydrophobicContact CB-CD1 3.77Å; A50-L89 WeakPolarHBondContact O-CD1 3.33Å; E54-L89 HydrophobicContact CB-CD1 4.48Å; E54-L89 HydrophobicContact CB-CD2 4.36Å; E54-L89 HydrophobicContact CG-CD2 4.41Å; I57-L89 HydrophobicContact CD1-CB 4.04Å; I57-L89 HydrophobicContact CD1-CD2 3.68Å; I57-L89 HydrophobicContact CD1-CG 4.48Å; A85-L89 WeakPolarHBondContact O-CB 3.25Å; A85-L89 PolarHBondContact O-N 3.35Å; S86-L89 PolarHBondContact O-N 2.91Å; A87-L89 VanDerWaalsContact C-N 3.34Å; A87-L89 PolarHBondContact O-N 3.47Å; L89-L91 PolarHBondContact O-N 3.47Å; L89-L92 PolarHBondContact O-N 3.28Å; L89-L93 HydrophobicContact CD1-CD1 4Å; L89-L93 HydrophobicContact CD1-CG 4.07Å; L89-L93 HydrophobicContact CG-CD1 4.01Å; L89-L93 HydrophobicContact CG-CG 4.48Å; L89-L93 VanDerWaalsContact O-CG 3.28Å; L89-L93 WeakPolarHBondContact O-CG 3.2Å; L89-L93 PolarHBondContact O-N 3.39Å; L89-R111 HydrophobicContact CD2-CB 4.34Å; L89-R111 HydrophobicContact CD2-CG 4.18Å
90	G	89.5	Confident	83.8	Confident	5 Å²	5	50.3 Å²	50.3	5%	0.052	27%	0.273	C	S	.	.	H	α-helix	trans	-57.8	-47.1	177.8	0	0	0	0	0	112.6	S86 A87 Y88 L92 L93 V94 A108	S86-G90 PolarHBondContact O-N 3.42Å; A87-G90 PolarHBondContact O-N 3.08Å; Y88-G90 PolarHBondContact O-N 3.38Å; G90-L92 PolarHBondContact O-N 2.96Å; G90-L93 PolarHBondContact O-N 2.88Å; G90-V94 WeakPolarHBondContact O-CG2 3.34Å; G90-V94 PolarHBondContact O-N 3.45Å; G90-V94 VanDerWaalsContact O-N 3.16Å; G90-A108 VanDerWaalsContact O-CB 3.28Å; G90-A108 WeakPolarHBondContact O-CB 3.46Å
91	L	90.9	Very high	83	Confident	88 Å²	88	57.5 Å²	57.5	46%	0.461	30%	0.297	S	S	.	.	H	α-helix	trans	-63.5	-41.9	178.8	-72.4	170.3	0	0	0	112.4	L27 A87 Y88 L89 V94 N95	L27-L91 HydrophobicContact CD1-CB 3.85Å; L27-L91 HydrophobicContact CD1-CD1 3.93Å; L27-L91 HydrophobicContact CD2-CB 3.87Å; A87-L91 WeakPolarHBondContact O-CG 3.2Å; A87-L91 PolarHBondContact O-N 3.4Å; Y88-L91 PolarHBondContact O-N 2.75Å; L89-L91 PolarHBondContact O-N 3.47Å; L91-V94 PolarHBondContact O-N 3.24Å; L91-N95 PolarHBondContact O-N 2.99Å; L91-N95 PolarHBondContact O-ND2 3.26Å
92	L	92.1	Very high	82.4	Confident	0 Å²	0	57 Å²	57	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-65.9	-40.2	178	-69.7	172.3	0	0	0	111.9	S23 L26 L27 C46 V49 A50 L53 Y88 L89 G90 V94 N95 G96	S23-L92 WeakPolarHBondContact OG-CD1 3.29Å; L26-L92 HydrophobicContact CB-CD2 4.46Å; L26-L92 HydrophobicContact CD1-CD2 4.39Å; L27-L92 HydrophobicContact CG-CD2 4.47Å; C46-L92 HydrophobicContact CB-CB 4.41Å; C46-L92 HydrophobicContact CB-CD2 3.99Å; V49-L92 HydrophobicContact CB-CD1 4.03Å; V49-L92 HydrophobicContact CG1-CD1 3.6Å; A50-L92 HydrophobicContact CB-CB 4Å; A50-L92 HydrophobicContact CB-CD1 4.36Å; L53-L92 HydrophobicContact CD1-CD1 3.63Å; Y88-L92 WeakPolarHBondContact O-CB 3.38Å; Y88-L92 WeakPolarHBondContact O-CG 3.48Å; Y88-L92 PolarHBondContact O-N 3.09Å; L89-L92 PolarHBondContact O-N 3.28Å; G90-L92 PolarHBondContact O-N 2.96Å; L92-V94 VanDerWaalsContact C-N 3.31Å; L92-V94 PolarHBondContact O-N 2.85Å; L92-N95 CarbonylContact O-C 3.58Å; L92-N95 PolarHBondContact O-N 3.32Å; L92-G96 WeakPolarHBondContact O-CA 3.48Å; L92-G96 PolarHBondContact O-N 3.31Å
93	L	90.2	Very high	81.7	Confident	28 Å²	28	60.8 Å²	60.8	15%	0.147	32%	0.324	C	S	.	.	H	α-helix	trans	-62.3	-38.3	176.5	-71.8	171.9	0	0	0	112	M47 A50 L89 G90 S97 R111	M47-L93 HydrophobicContact CE-CD2 4.23Å; M47-L93 HydrophobicContact SD-CD2 4.24Å; A50-L93 HydrophobicContact CB-CD2 4.22Å; A50-L93 HydrophobicContact CB-CG 4.49Å; L89-L93 HydrophobicContact CD1-CD1 4Å; L89-L93 HydrophobicContact CD1-CG 4.07Å; L89-L93 HydrophobicContact CG-CD1 4.01Å; L89-L93 HydrophobicContact CG-CG 4.48Å; L89-L93 VanDerWaalsContact O-CG 3.28Å; L89-L93 WeakPolarHBondContact O-CG 3.2Å; L89-L93 PolarHBondContact O-N 3.39Å; G90-L93 PolarHBondContact O-N 2.88Å; L93-S97 VanDerWaalsContact O-CB 3.29Å; L93-S97 WeakPolarHBondContact O-CB 3.46Å; L93-S97 PolarHBondContact O-N 2.99Å; L93-R111 HydrophobicContact CD1-CG 4.41Å
94	V	87.6	Confident	81	Confident	49 Å²	49	56.8 Å²	56.8	30%	0.297	31%	0.305	S	S	.	.	H	α-helix	trans	-66.9	-40.4	174.5	174.3	0	0	0	0	111.4	G90 L91 L92 A108	G90-V94 WeakPolarHBondContact O-CG2 3.34Å; G90-V94 PolarHBondContact O-N 3.45Å; G90-V94 VanDerWaalsContact O-N 3.16Å; L91-V94 PolarHBondContact O-N 3.24Å; L92-V94 VanDerWaalsContact C-N 3.31Å; L92-V94 PolarHBondContact O-N 2.85Å; V94-A108 HydrophobicContact CG2-CB 3.55Å
95	N	87	Confident	80.2	Confident	40 Å²	40	55.5 Å²	55.5	21%	0.214	30%	0.303	C	S	.	.	H	α-helix	trans	-85.2	-16.5	-176.2	-75.1	-82.6	0	0	0	114	L27 R30 L91 L92	L27-N95 HydrophobicContact CD2-CB 4.17Å; L27-N95 VanDerWaalsContact CD2-ND2 3.29Å; L27-N95 WeakPolarHBondContact CD2-ND2 3.46Å; R30-N95 HydrophobicContact CG-CB 4.34Å; R30-N95 WeakPolarHBondContact CG-OD1 3.37Å; L91-N95 PolarHBondContact O-N 2.99Å; L91-N95 PolarHBondContact O-ND2 3.26Å; L92-N95 CarbonylContact O-C 3.58Å; L92-N95 PolarHBondContact O-N 3.32Å
96	G	84.4	Confident	79.5	Confident	9 Å²	9	61.4 Å²	61.4	9%	0.093	33%	0.33	C	S	.	.	H	α-helix	trans	-94.8	-11.9	179.6	0	0	0	0	0	114.8	A43 M47 L92	A43-G96 VanDerWaalsContact O-CA 3.25Å; A43-G96 WeakPolarHBondContact O-CA 3.37Å; M47-G96 WeakPolarHBondContact CG-O 3.34Å; L92-G96 WeakPolarHBondContact O-CA 3.48Å; L92-G96 PolarHBondContact O-N 3.31Å
97	S	74.1	Confident	78.8	Confident	31 Å²	31	65.7 Å²	65.7	22%	0.217	34%	0.344	C	S	.	.			trans	-97.3	118.8	-175.2	-174.8	0	0	0	0	112.3	L93 S99 S104	L93-S97 VanDerWaalsContact O-CB 3.29Å; L93-S97 WeakPolarHBondContact O-CB 3.46Å; L93-S97 PolarHBondContact O-N 2.99Å; S97-S99 VanDerWaalsContact C-N 3.32Å; S97-S99 PolarHBondContact OG-N 3.44Å; S97-S99 PolarHBondContact OG-OG 3.09Å; S97-S104 WeakPolarHBondContact CB-OG 3.34Å; S97-S104 PolarHBondContact OG-OG 3.03Å
98	D	64.1	Low	78.1	Confident	128 Å²	128	63.8 Å²	63.8	68%	0.684	33%	0.329	S	S	*	.			trans	-85.4	-7.6	167.5	-68	-27.7	0	0	0	112.4
99	S	56.7	Low	77.2	Confident	77 Å²	77	67 Å²	67	54%	0.538	35%	0.346	S	S	.	.	S	Bend	trans	-84.4	168.4	176.8	60.2	0	0	0	0	112.3	S97 R101	S97-S99 VanDerWaalsContact C-N 3.32Å; S97-S99 PolarHBondContact OG-N 3.44Å; S97-S99 PolarHBondContact OG-OG 3.09Å; S99-R101 PolarHBondContact O-N 2.97Å
100	N	62.5	Low	76.4	Confident	117 Å²	117	71.1 Å²	71.1	63%	0.626	37%	0.371	S	S	*	.			trans	-37.6	109.4	-169	-151.3	2.4	0	0	0	111.6	L102 D103	N100-L102 PolarHBondContact O-N 3.36Å; N100-D103 PolarHBondContact O-N 2.86Å
101	R	65.8	Low	75.5	Confident	197 Å²	197	76.3 Å²	76.3	74%	0.743	39%	0.39	S	S	*	.	H	α-helix	trans	-49.4	-27.7	-169.7	-170.8	178	166.7	-170	-3.3	113.5	S99 L105	S99-R101 PolarHBondContact O-N 2.97Å; R101-L105 HydrophobicContact CG-CD1 4.33Å; R101-L105 WeakPolarHBondContact O-CB 3.48Å; R101-L105 PolarHBondContact O-N 3Å
102	L	71.2	Confident	74.1	Confident	123 Å²	123	75.8 Å²	75.8	64%	0.644	39%	0.393	S	S	*	.	H	α-helix	trans	-62.9	-49.1	174	-109.4	152.8	0	0	0	113.2	N100 S104 L105 E106	N100-L102 PolarHBondContact O-N 3.36Å; L102-S104 VanDerWaalsContact C-N 3.28Å; L102-S104 PolarHBondContact O-N 2.94Å; L102-L105 WeakPolarHBondContact O-CB 3.4Å; L102-L105 PolarHBondContact O-N 3.11Å; L102-E106 WeakPolarHBondContact O-CB 3.3Å; L102-E106 PolarHBondContact O-N 3.48Å
103	D	72.2	Confident	72.3	Confident	80 Å²	80	88.5 Å²	88.5	43%	0.428	44%	0.441	S	S	.	.	H	α-helix	trans	-61.9	-38.3	178.8	-77	19.8	0	0	0	111.2	N100 E106 K107	N100-D103 PolarHBondContact O-N 2.86Å; D103-E106 PolarHBondContact O-N 3.26Å; D103-K107 WeakPolarHBondContact O-CB 3.48Å; D103-K107 VanDerWaalsContact O-CG 3.32Å; D103-K107 WeakPolarHBondContact O-CG 3.38Å; D103-K107 PolarHBondContact O-N 3.49Å
104	S	68.7	Low	71.4	Confident	6 Å²	6	91.5 Å²	91.5	4%	0.042	46%	0.456	C	S	.	.	H	α-helix	trans	-69.2	-40.9	178.6	-38.8	0	0	0	0	111.4	S97 L102 A108	S97-S104 WeakPolarHBondContact CB-OG 3.34Å; S97-S104 PolarHBondContact OG-OG 3.03Å; L102-S104 VanDerWaalsContact C-N 3.28Å; L102-S104 PolarHBondContact O-N 2.94Å; S104-A108 WeakPolarHBondContact O-CB 3.16Å; S104-A108 PolarHBondContact O-N 3.02Å
105	L	72.4	Confident	70.6	Confident	76 Å²	76	93.7 Å²	93.7	40%	0.398	46%	0.464	S	S	.	.	H	α-helix	trans	-62.5	-44.7	173	-103.1	151.2	0	0	0	111.4	R101 L102 A108 I109	R101-L105 HydrophobicContact CG-CD1 4.33Å; R101-L105 WeakPolarHBondContact O-CB 3.48Å; R101-L105 PolarHBondContact O-N 3Å; L102-L105 WeakPolarHBondContact O-CB 3.4Å; L102-L105 PolarHBondContact O-N 3.11Å; L105-A108 PolarHBondContact O-N 3.06Å; L105-I109 VanDerWaalsContact O-CG1 3.28Å; L105-I109 WeakPolarHBondContact O-CG1 3.26Å; L105-I109 PolarHBondContact O-N 3.31Å
106	E	76.4	Confident	69.7	Low	124 Å²	124	96.7 Å²	96.7	58%	0.579	48%	0.478	S	S	*	.	H	α-helix	trans	-64.4	-45	-178.8	-160.5	169.4	-145.1	0	0	110.9	L102 D103 A108 I109 V110	L102-E106 WeakPolarHBondContact O-CB 3.3Å; L102-E106 PolarHBondContact O-N 3.48Å; D103-E106 PolarHBondContact O-N 3.26Å; E106-A108 VanDerWaalsContact C-N 3.33Å; E106-A108 PolarHBondContact O-N 3.27Å; E106-I109 PolarHBondContact O-N 3.39Å; E106-V110 WeakPolarHBondContact O-CG2 3.24Å; E106-V110 PolarHBondContact O-N 2.95Å
107	K	74.7	Confident	68.8	Low	127 Å²	127	101.9 Å²	101.9	55%	0.552	50%	0.5	S	S	*	.	H	α-helix	trans	-58.6	-43.8	171.9	-73.7	173.6	-175.9	174.3	0	112	D103 V110 R111	D103-K107 WeakPolarHBondContact O-CB 3.48Å; D103-K107 VanDerWaalsContact O-CG 3.32Å; D103-K107 WeakPolarHBondContact O-CG 3.38Å; D103-K107 PolarHBondContact O-N 3.49Å; K107-V110 PolarHBondContact O-N 2.66Å; K107-R111 WeakPolarHBondContact O-CB 3.4Å; K107-R111 VanDerWaalsContact O-CG 3.24Å; K107-R111 WeakPolarHBondContact O-CG 3.2Å; K107-R111 PolarHBondContact O-N 3.43Å; K107-R111 VanDerWaalsContact O-N 3.09Å
108	A	74.8	Confident	68.5	Low	10 Å²	10	106.3 Å²	106.3	8%	0.083	52%	0.518	C	S	.	.	H	α-helix	trans	-65.5	-39.5	179.6	0	0	0	0	0	113	G90 V94 S104 L105 E106 R111 S112	G90-A108 VanDerWaalsContact O-CB 3.28Å; G90-A108 WeakPolarHBondContact O-CB 3.46Å; V94-A108 HydrophobicContact CG2-CB 3.55Å; S104-A108 WeakPolarHBondContact O-CB 3.16Å; S104-A108 PolarHBondContact O-N 3.02Å; L105-A108 PolarHBondContact O-N 3.06Å; E106-A108 VanDerWaalsContact C-N 3.33Å; E106-A108 PolarHBondContact O-N 3.27Å; A108-R111 PolarHBondContact O-N 3.36Å; A108-S112 PolarHBondContact O-N 3.41Å; A108-S112 VanDerWaalsContact O-N 3.15Å; A108-S112 PolarHBondContact O-OG 2.97Å
109	I	74.5	Confident	68.8	Low	87 Å²	87	104.9 Å²	104.9	45%	0.446	51%	0.507	S	S	.	.	H	α-helix	trans	-63.3	-45.8	176.4	-70.8	165.4	0	0	0	110.6	L105 E106 R111 S112	L105-I109 VanDerWaalsContact O-CG1 3.28Å; L105-I109 WeakPolarHBondContact O-CG1 3.26Å; L105-I109 PolarHBondContact O-N 3.31Å; E106-I109 PolarHBondContact O-N 3.39Å; I109-R111 PolarHBondContact O-N 3.34Å; I109-S112 WeakPolarHBondContact CA-OG 3.34Å; I109-S112 PolarHBondContact O-N 2.89Å; I109-S112 PolarHBondContact O-OG 3.21Å
110	V	75.7	Confident	69.6	Low	92 Å²	92	106.9 Å²	106.9	56%	0.558	51%	0.505	S	S	*	.	H	α-helix	trans	-61.6	-34.4	177.9	172.4	0	0	0	0	111.2	E106 K107	E106-V110 WeakPolarHBondContact O-CG2 3.24Å; E106-V110 PolarHBondContact O-N 2.95Å; K107-V110 PolarHBondContact O-N 2.66Å
111	R	69.4	Low	70.2	Confident	114 Å²	114	106.1 Å²	106.1	43%	0.43	50%	0.496	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-2.3	-179.7	-65	-59.4	-166.9	-156.3	8.6	114.8	E54 S86 L89 L93 K107 A108 I109	E54-R111 IonicContact OE1-CZ 3.62Å; E54-R111 IonicContact OE1-NE 3.21Å; E54-R111 IonicContact OE1-NH2 2.85Å; E54-R111 PolarHBondContact OE1-NH2 2.88Å; S86-R111 VanDerWaalsContact CB-O 3.28Å; S86-R111 WeakPolarHBondContact CB-O 3.34Å; L89-R111 HydrophobicContact CD2-CB 4.34Å; L89-R111 HydrophobicContact CD2-CG 4.18Å; L93-R111 HydrophobicContact CD1-CG 4.41Å; K107-R111 WeakPolarHBondContact O-CB 3.4Å; K107-R111 VanDerWaalsContact O-CG 3.24Å; K107-R111 WeakPolarHBondContact O-CG 3.2Å; K107-R111 PolarHBondContact O-N 3.43Å; K107-R111 VanDerWaalsContact O-N 3.09Å; A108-R111 PolarHBondContact O-N 3.36Å; I109-R111 PolarHBondContact O-N 3.34Å
112	S	61.8	Low	70.5	Confident	76 Å²	76	98.5 Å²	98.5	53%	0.531	48%	0.475	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.1	10.2	178.5	40.7	0	0	0	0	113.5	A108 I109	A108-S112 PolarHBondContact O-N 3.41Å; A108-S112 VanDerWaalsContact O-N 3.15Å; A108-S112 PolarHBondContact O-OG 2.97Å; I109-S112 WeakPolarHBondContact CA-OG 3.34Å; I109-S112 PolarHBondContact O-N 2.89Å; I109-S112 PolarHBondContact O-OG 3.21Å
113	R	54.6	Low	70.5	Confident	267 Å²	267	96.3 Å²	96.3	100%	1.008	46%	0.46	S	S	*	.			trans	-104.5	0	171.3	-72.2	-177.1	172.8	-168.5	-1.6	110.3

Retrieved 113 of 113 residues in 24.1 ms (Link to these results)

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