A0A077YXM3_TRITR Loading...

ArfGap domain containing protein

AlphaFold DB , UniProt , Accession A0A077YXM3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 135 aa.

						>A0A077YXM3_TRITR|A0A077YXM3
MAPHGGSKMSTVKKKQDDRNLKILREQAALACNKQCFDCYQRGPTYIDMTIGSFVCTSCSGLLRGLNPPHRVKSISMATFTADEIEFVKSRGNEVGSISVCSLRPVPPRRPAELSCNSLCRAKLLSALPGRRSFN
					

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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	36.9	Very low	50.9	Low	248 Å²	248	130.9 Å²	130.9	100%	1.222	79%	0.788	S	S	*	*				0	143.3	0	-77.7	147.7	136.8	0	0	108.7
2	A	48.3	Very low	52.9	Low	84 Å²	84	128.8 Å²	128.8	69%	0.694	78%	0.776	S	S	*	*			trans	-61.3	151.9	-150.4	0	0	0	0	0	117
3	P	52.1	Low	54.8	Low	126 Å²	126	130.2 Å²	130.2	82%	0.818	77%	0.765	S	S	*	*			trans	-70.3	129.3	173.4	28.1	-32.4	0	0	0	111.4	G5	P3-G5 PolarHBondContact O-N 2.86Å
4	H	57.1	Low	56.5	Low	202 Å²	202	132.5 Å²	132.5	94%	0.935	76%	0.761	S	S	*	*			trans	-70.4	79.9	166.3	-74.1	-92.8	0	0	0	109.5
5	G	39.8	Very low	58.3	Low	76 Å²	76	132.8 Å²	132.8	78%	0.784	75%	0.75	S	S	*	*			trans	-89.1	120.7	167.4	0	0	0	0	0	110.4	P3	P3-G5 PolarHBondContact O-N 2.86Å
6	G	41.8	Very low	60	Low	61 Å²	61	128.8 Å²	128.8	63%	0.629	72%	0.723	S	S	*	*			trans	-174.4	27	178.9	0	0	0	0	0	115.7	K8	G6-K8 VanDerWaalsContact C-N 3.34Å; G6-K8 PolarHBondContact O-N 2.98Å
7	S	49.6	Very low	61.7	Low	109 Å²	109	124.1 Å²	124.1	76%	0.762	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.9	72.8	177.7	-49.9	0	0	0	0	112.3
8	K	49.8	Very low	63.2	Low	185 Å²	185	123.3 Å²	123.3	80%	0.804	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-141.3	-19.5	162.9	-70.4	-169.2	179.2	176.2	0	114.6	G6	G6-K8 VanDerWaalsContact C-N 3.34Å; G6-K8 PolarHBondContact O-N 2.98Å
9	M	53.4	Low	64.6	Low	156 Å²	156	123.1 Å²	123.1	77%	0.768	68%	0.678	S	S	*	*	H	α-helix	trans	-79.8	-18.6	176.3	-91.4	179.4	-85.1	0	0	114.2	T11 K13	M9-T11 PolarHBondContact O-N 3.27Å; M9-K13 WeakPolarHBondContact O-CB 3.46Å; M9-K13 PolarHBondContact O-N 3.01Å
10	S	61.5	Low	65.9	Low	82 Å²	82	117.3 Å²	117.3	57%	0.573	65%	0.645	S	S	*	*	H	α-helix	trans	-66.4	-39.6	-172.8	-40.7	0	0	0	0	112.7	K14	S10-K14 WeakPolarHBondContact O-CB 3.36Å; S10-K14 PolarHBondContact O-N 3.25Å; S10-K14 VanDerWaalsContact O-N 3.11Å
11	T	70	Confident	67.1	Low	111 Å²	111	113.1 Å²	113.1	68%	0.681	62%	0.622	S	S	*	*	H	α-helix	trans	-76.3	-42.5	-173.5	-35.4	0	0	0	0	112.2	M9 K15	M9-T11 PolarHBondContact O-N 3.27Å; T11-K15 WeakPolarHBondContact O-CB 3.19Å; T11-K15 PolarHBondContact O-N 3.47Å
12	V	74.9	Confident	69.7	Low	105 Å²	105	107.5 Å²	107.5	64%	0.636	59%	0.591	S	S	*	*	H	α-helix	trans	-66	-46.6	179.4	-179.6	0	0	0	0	110.3	K14 K15 Q16	V12-K14 PolarHBondContact O-N 2.99Å; V12-K15 PolarHBondContact O-N 3.28Å; V12-Q16 PolarHBondContact O-N 3.46Å
13	K	76.8	Confident	71.8	Confident	147 Å²	147	105.2 Å²	105.2	64%	0.639	57%	0.567	S	S	*	*	H	α-helix	trans	-63.9	-41.2	179.9	-168.9	155.8	173.9	166.6	0	111.6	M9 Q16 D17	M9-K13 WeakPolarHBondContact O-CB 3.46Å; M9-K13 PolarHBondContact O-N 3.01Å; K13-Q16 PolarHBondContact O-N 2.87Å; K13-D17 WeakPolarHBondContact O-CB 3.4Å; K13-D17 PolarHBondContact O-N 3.25Å
14	K	79.2	Confident	73.7	Confident	163 Å²	163	99.3 Å²	99.3	71%	0.709	53%	0.528	S	S	*	.	H	α-helix	trans	-63.8	-40.5	175.5	-171.1	166.3	179.9	169.1	0	112.8	S10 V12 Q16 D17 D18	S10-K14 WeakPolarHBondContact O-CB 3.36Å; S10-K14 PolarHBondContact O-N 3.25Å; S10-K14 VanDerWaalsContact O-N 3.11Å; V12-K14 PolarHBondContact O-N 2.99Å; K14-Q16 VanDerWaalsContact C-N 3.32Å; K14-Q16 PolarHBondContact O-N 2.9Å; K14-D17 PolarHBondContact O-N 3.29Å; K14-D18 PolarHBondContact O-N 3.47Å; K14-D18 VanDerWaalsContact O-N 3.08Å
15	K	83.5	Confident	75.2	Confident	137 Å²	137	96.9 Å²	96.9	60%	0.596	51%	0.511	S	S	*	.	H	α-helix	trans	-65.9	-35.2	175.2	-172.6	168.2	-176.4	173.8	0	112.2	T11 V12 R19	T11-K15 WeakPolarHBondContact O-CB 3.19Å; T11-K15 PolarHBondContact O-N 3.47Å; V12-K15 PolarHBondContact O-N 3.28Å; K15-R19 WeakPolarHBondContact O-CG 3.5Å; K15-R19 PolarHBondContact O-N 3.49Å
16	Q	86.1	Confident	77.7	Confident	68 Å²	68	98.2 Å²	98.2	32%	0.318	50%	0.496	S	S	.	.	H	α-helix	trans	-69.2	-42.9	174.9	-170.4	60.8	34.8	0	0	111.8	V12 K13 K14 D18 R19 N20	V12-Q16 PolarHBondContact O-N 3.46Å; K13-Q16 PolarHBondContact O-N 2.87Å; K14-Q16 VanDerWaalsContact C-N 3.32Å; K14-Q16 PolarHBondContact O-N 2.9Å; Q16-D18 PolarHBondContact O-N 3.27Å; Q16-R19 PolarHBondContact O-N 3.47Å; Q16-N20 PolarHBondContact NE2-OD1 3.11Å; Q16-N20 WeakPolarHBondContact O-CB 3.39Å; Q16-N20 PolarHBondContact O-N 2.94Å; Q16-N20 PolarHBondContact O-OD1 3.37Å
17	D	87.6	Confident	79.9	Confident	49 Å²	49	96.9 Å²	96.9	26%	0.262	47%	0.474	S	S	.	.	H	α-helix	trans	-61.6	-42.7	179.6	-154.4	-85.4	0	0	0	111.4	K13 K14 R19 N20 L21 T79	K13-D17 WeakPolarHBondContact O-CB 3.4Å; K13-D17 PolarHBondContact O-N 3.25Å; K14-D17 PolarHBondContact O-N 3.29Å; D17-R19 PolarHBondContact O-N 3.43Å; D17-N20 WeakPolarHBondContact O-CB 3.32Å; D17-N20 PolarHBondContact O-N 3.43Å; D17-L21 WeakPolarHBondContact O-CB 3.4Å; D17-L21 PolarHBondContact O-N 3.24Å; D17-T79 WeakPolarHBondContact OD2-CB 3.36Å; D17-T79 VanDerWaalsContact OD2-CG2 3.24Å; D17-T79 WeakPolarHBondContact OD2-CG2 3.39Å; D17-T79 PolarHBondContact OD2-OG1 3.18Å
18	D	88.4	Confident	81.7	Confident	111 Å²	111	92.8 Å²	92.8	59%	0.594	45%	0.447	S	S	*	.	H	α-helix	trans	-61.8	-43.2	175	-176.9	73.9	0	0	0	112.8	K14 Q16 L21 K22	K14-D18 PolarHBondContact O-N 3.47Å; K14-D18 VanDerWaalsContact O-N 3.08Å; Q16-D18 PolarHBondContact O-N 3.27Å; D18-L21 PolarHBondContact O-N 3.13Å; D18-K22 PolarHBondContact O-N 3.08Å
19	R	90.1	Very high	83.5	Confident	119 Å²	119	86.5 Å²	86.5	45%	0.449	43%	0.43	S	S	.	.	H	α-helix	trans	-62.9	-43.2	174.5	-73.7	-169.4	-68	-152	3.5	111.9	K15 Q16 D17 K22 I23	K15-R19 WeakPolarHBondContact O-CG 3.5Å; K15-R19 PolarHBondContact O-N 3.49Å; Q16-R19 PolarHBondContact O-N 3.47Å; D17-R19 PolarHBondContact O-N 3.43Å; R19-K22 PolarHBondContact O-N 2.97Å; R19-I23 WeakPolarHBondContact O-CG1 3.49Å; R19-I23 PolarHBondContact O-N 3.2Å; R19-I23 VanDerWaalsContact O-N 3.13Å
20	N	91.9	Very high	85	Confident	6 Å²	6	82.4 Å²	82.4	3%	0.032	41%	0.41	C	S	.	.	H	α-helix	trans	-62.9	-44.8	178.1	-71.4	-0.2	0	0	0	110.6	Q16 D17 K22 I23 L24 F80 I85	Q16-N20 PolarHBondContact NE2-OD1 3.11Å; Q16-N20 WeakPolarHBondContact O-CB 3.39Å; Q16-N20 PolarHBondContact O-N 2.94Å; Q16-N20 PolarHBondContact O-OD1 3.37Å; D17-N20 WeakPolarHBondContact O-CB 3.32Å; D17-N20 PolarHBondContact O-N 3.43Å; N20-K22 VanDerWaalsContact C-N 3.34Å; N20-K22 PolarHBondContact O-N 2.9Å; N20-I23 WeakPolarHBondContact O-CB 3.4Å; N20-I23 PolarHBondContact O-N 2.84Å; N20-L24 WeakPolarHBondContact O-CG 3.36Å; N20-L24 PolarHBondContact O-N 3.4Å; N20-F80 PolarHBondContact ND2-O 2.93Å; N20-I85 HydrophobicContact CB-CD1 3.89Å; N20-I85 HydrophobicContact CB-CG1 3.87Å
21	L	90.8	Very high	85.9	Confident	31 Å²	31	82.3 Å²	82.3	16%	0.162	41%	0.414	C	S	.	.	H	α-helix	trans	-61.1	-41.3	176.9	-179.5	60.8	0	0	0	112.1	D17 D18 I23 L24 R25 I75	D17-L21 WeakPolarHBondContact O-CB 3.4Å; D17-L21 PolarHBondContact O-N 3.24Å; D18-L21 PolarHBondContact O-N 3.13Å; L21-I23 PolarHBondContact O-N 3.38Å; L21-L24 PolarHBondContact O-N 3.42Å; L21-R25 HydrophobicContact CD1-CG 4.48Å; L21-R25 VanDerWaalsContact O-CG 3.31Å; L21-R25 WeakPolarHBondContact O-CG 3.36Å; L21-R25 PolarHBondContact O-N 3.35Å; L21-I75 HydrophobicContact CD1-CG2 4.45Å; L21-I75 WeakPolarHBondContact CD1-O 3.47Å
22	K	91.6	Very high	86.3	Confident	130 Å²	130	80.4 Å²	80.4	57%	0.565	41%	0.405	S	S	*	.	H	α-helix	trans	-57.9	-49.4	174.9	-176.6	-179	175.4	-176.7	0	111.1	D18 R19 N20 L24 R25 E26	D18-K22 PolarHBondContact O-N 3.08Å; R19-K22 PolarHBondContact O-N 2.97Å; N20-K22 VanDerWaalsContact C-N 3.34Å; N20-K22 PolarHBondContact O-N 2.9Å; K22-L24 VanDerWaalsContact C-N 3.34Å; K22-L24 PolarHBondContact O-N 2.83Å; K22-R25 WeakPolarHBondContact O-CB 3.49Å; K22-R25 PolarHBondContact O-N 2.85Å; K22-E26 WeakPolarHBondContact O-CG 3.3Å; K22-E26 PolarHBondContact O-N 3.25Å
23	I	91	Very high	86.9	Confident	36 Å²	36	75.4 Å²	75.4	19%	0.185	38%	0.375	C	S	.	.	H	α-helix	trans	-59.2	-45.5	178.3	-70.6	165.6	0	0	0	111.3	R19 N20 L21 R25 E26 Q27 I85 K89	R19-I23 WeakPolarHBondContact O-CG1 3.49Å; R19-I23 PolarHBondContact O-N 3.2Å; R19-I23 VanDerWaalsContact O-N 3.13Å; N20-I23 WeakPolarHBondContact O-CB 3.4Å; N20-I23 PolarHBondContact O-N 2.84Å; L21-I23 PolarHBondContact O-N 3.38Å; I23-R25 VanDerWaalsContact C-N 3.27Å; I23-R25 PolarHBondContact O-N 2.83Å; I23-E26 WeakPolarHBondContact O-CB 3.37Å; I23-E26 PolarHBondContact O-N 3.42Å; I23-Q27 HydrophobicContact CG2-CG 4.41Å; I23-Q27 WeakPolarHBondContact O-CG 3.25Å; I23-Q27 PolarHBondContact O-N 2.99Å; I23-I85 HydrophobicContact CB-CG2 4.38Å; I23-I85 HydrophobicContact CD1-CG2 4.13Å; I23-I85 HydrophobicContact CG2-CG2 3.68Å; I23-K89 HydrophobicContact CG2-CD 4.29Å; I23-K89 HydrophobicContact CG2-CG 4.19Å
24	L	91.8	Very high	87.3	Confident	1 Å²	1	73.6 Å²	73.6	1%	0.005	37%	0.367	C	S	.	.	H	α-helix	trans	-63.5	-35.7	179.7	-69.3	177.2	0	0	0	112.2	N20 L21 K22 Q27 A28 I47 I75 F80 I85 V88	N20-L24 WeakPolarHBondContact O-CG 3.36Å; N20-L24 PolarHBondContact O-N 3.4Å; L21-L24 PolarHBondContact O-N 3.42Å; K22-L24 VanDerWaalsContact C-N 3.34Å; K22-L24 PolarHBondContact O-N 2.83Å; L24-Q27 PolarHBondContact O-N 3.22Å; L24-A28 WeakPolarHBondContact O-CB 3.24Å; L24-A28 PolarHBondContact O-N 3.23Å; L24-I47 HydrophobicContact CD1-CD1 4.45Å; L24-I47 HydrophobicContact CD2-CD1 3.62Å; L24-I47 HydrophobicContact CG-CD1 4.5Å; L24-I75 HydrophobicContact CB-CG2 4.08Å; L24-F80 HydrophobicContact CD1-CD1 4.06Å; L24-F80 HydrophobicContact CD1-CD2 3.35Å; L24-F80 HydrophobicContact CD1-CE1 4.05Å; L24-F80 HydrophobicContact CD1-CE2 3.35Å; L24-F80 HydrophobicContact CD1-CG 3.73Å; L24-F80 HydrophobicContact CD1-CZ 3.71Å; L24-I85 HydrophobicContact CD1-CD1 3.81Å; L24-I85 HydrophobicContact CD2-CD1 3.52Å; L24-I85 HydrophobicContact CG-CD1 3.5Å; L24-V88 HydrophobicContact CD2-CB 4.31Å; L24-V88 HydrophobicContact CD2-CG1 3.91Å; L24-V88 HydrophobicContact CD2-CG2 4.48Å
25	R	90.5	Very high	87.7	Confident	151 Å²	151	67.5 Å²	67.5	57%	0.57	34%	0.341	S	S	*	.	H	α-helix	trans	-67.2	-40.6	173.7	-71.8	174.4	178.3	-175.4	0.6	111.8	L21 K22 I23 Q27 A28 A29	L21-R25 HydrophobicContact CD1-CG 4.48Å; L21-R25 VanDerWaalsContact O-CG 3.31Å; L21-R25 WeakPolarHBondContact O-CG 3.36Å; L21-R25 PolarHBondContact O-N 3.35Å; K22-R25 WeakPolarHBondContact O-CB 3.49Å; K22-R25 PolarHBondContact O-N 2.85Å; I23-R25 VanDerWaalsContact C-N 3.27Å; I23-R25 PolarHBondContact O-N 2.83Å; R25-Q27 VanDerWaalsContact C-N 3.33Å; R25-A28 PolarHBondContact O-N 3.33Å; R25-A29 WeakPolarHBondContact O-CB 3.4Å; R25-A29 PolarHBondContact O-N 2.92Å
26	E	90.6	Very high	88	Confident	104 Å²	104	61 Å²	61	49%	0.486	31%	0.312	S	S	.	.	H	α-helix	trans	-61.8	-43.2	173.8	-70	170.8	135.1	0	0	110.8	K22 I23 A29 L30	K22-E26 WeakPolarHBondContact O-CG 3.3Å; K22-E26 PolarHBondContact O-N 3.25Å; I23-E26 WeakPolarHBondContact O-CB 3.37Å; I23-E26 PolarHBondContact O-N 3.42Å; E26-A29 WeakPolarHBondContact O-CB 3.35Å; E26-A29 PolarHBondContact O-N 3.05Å; E26-L30 PolarHBondContact O-N 2.84Å
27	Q	88.2	Confident	88	Confident	33 Å²	33	61 Å²	61	15%	0.154	31%	0.312	C	S	.	.	H	α-helix	trans	-62.5	-47.9	173.9	-69.9	-63.6	-47	0	0	111.7	I23 L24 R25 A29 L30 N33 F54 K89	I23-Q27 HydrophobicContact CG2-CG 4.41Å; I23-Q27 WeakPolarHBondContact O-CG 3.25Å; I23-Q27 PolarHBondContact O-N 2.99Å; L24-Q27 PolarHBondContact O-N 3.22Å; R25-Q27 VanDerWaalsContact C-N 3.33Å; Q27-A29 PolarHBondContact O-N 2.95Å; Q27-L30 VanDerWaalsContact O-CB 3.32Å; Q27-L30 WeakPolarHBondContact O-CB 3.36Å; Q27-L30 WeakPolarHBondContact O-CG 3.41Å; Q27-L30 PolarHBondContact O-N 3.38Å; Q27-L30 VanDerWaalsContact O-N 3.1Å; Q27-N33 WeakPolarHBondContact O-CB 3.33Å; Q27-N33 PolarHBondContact O-ND2 3.42Å; Q27-F54 HydrophobicContact CB-CE2 4.39Å; Q27-F54 HydrophobicContact CB-CZ 3.72Å; Q27-K89 HydrophobicContact CG-CG 4.34Å
28	A	88.4	Confident	87.9	Confident	23 Å²	23	59.7 Å²	59.7	19%	0.19	30%	0.304	C	S	.	.	H	α-helix	trans	-62.7	-22.4	176.4	0	0	0	0	0	113.1	L24 R25 F54 I75	L24-A28 WeakPolarHBondContact O-CB 3.24Å; L24-A28 PolarHBondContact O-N 3.23Å; R25-A28 PolarHBondContact O-N 3.33Å; A28-F54 HydrophobicContact CB-CD1 4.15Å; A28-F54 HydrophobicContact CB-CE1 3.78Å; A28-I75 HydrophobicContact CB-CD1 4.41Å
29	A	86.9	Confident	87.6	Confident	54 Å²	54	55.1 Å²	55.1	45%	0.446	28%	0.281	S	S	.	.	H	α-helix	trans	-78.4	-16.9	177.2	0	0	0	0	0	113.5	R25 E26 Q27 K34	R25-A29 WeakPolarHBondContact O-CB 3.4Å; R25-A29 PolarHBondContact O-N 2.92Å; E26-A29 WeakPolarHBondContact O-CB 3.35Å; E26-A29 PolarHBondContact O-N 3.05Å; Q27-A29 PolarHBondContact O-N 2.95Å; A29-K34 WeakPolarHBondContact O-CE 3.4Å; A29-K34 PolarHBondContact O-NZ 2.71Å
30	L	85.5	Confident	87.3	Confident	69 Å²	69	52.6 Å²	52.6	36%	0.361	27%	0.272	S	S	.	.	S	Bend	trans	-60.4	140.2	174.2	-62.9	175.1	0	0	0	110.7	E26 Q27 C32 N33 K34	E26-L30 PolarHBondContact O-N 2.84Å; Q27-L30 VanDerWaalsContact O-CB 3.32Å; Q27-L30 WeakPolarHBondContact O-CB 3.36Å; Q27-L30 WeakPolarHBondContact O-CG 3.41Å; Q27-L30 PolarHBondContact O-N 3.38Å; Q27-L30 VanDerWaalsContact O-N 3.1Å; L30-C32 PolarHBondContact O-N 2.68Å; L30-C32 VanDerWaalsContact O-N 3.14Å; L30-N33 HydrophobicContact CB-CB 4.32Å; L30-N33 CarbonylContact O-C 3.21Å; L30-N33 WeakPolarHBondContact O-CA 3.46Å; L30-N33 PolarHBondContact O-N 2.76Å; L30-K34 WeakPolarHBondContact O-CG 3.48Å; L30-K34 PolarHBondContact O-N 3.43Å; L30-K34 VanDerWaalsContact O-N 3.1Å
31	A	80	Confident	87	Confident	80 Å²	80	56.9 Å²	56.9	66%	0.661	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-53.7	-40	-173.9	0	0	0	0	0	113.1	N33 K34	A31-N33 VanDerWaalsContact C-N 3.29Å; A31-N33 PolarHBondContact O-N 2.95Å; A31-K34 PolarHBondContact O-N 3.23Å
32	C	79.1	Confident	86.8	Confident	72 Å²	72	64.7 Å²	64.7	49%	0.486	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-67	-28.1	177.2	-53.5	0	0	0	0	113.2	L30 N93	L30-C32 PolarHBondContact O-N 2.68Å; L30-C32 VanDerWaalsContact O-N 3.14Å; C32-N93 HydrophobicContact CB-CB 4.29Å; C32-N93 WeakPolarHBondContact O-CB 3.42Å; C32-N93 PolarHBondContact O-ND2 2.13Å
33	N	86.1	Confident	86.6	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-96.2	-6.2	-176.3	-62.5	-19.7	0	0	0	113	Q27 L30 A31 Q35 P44 F54 N93	Q27-N33 WeakPolarHBondContact O-CB 3.33Å; Q27-N33 PolarHBondContact O-ND2 3.42Å; L30-N33 HydrophobicContact CB-CB 4.32Å; L30-N33 CarbonylContact O-C 3.21Å; L30-N33 WeakPolarHBondContact O-CA 3.46Å; L30-N33 PolarHBondContact O-N 2.76Å; A31-N33 VanDerWaalsContact C-N 3.29Å; A31-N33 PolarHBondContact O-N 2.95Å; N33-Q35 PolarHBondContact O-N 3.33Å; N33-P44 WeakPolarHBondContact O-CG 3.46Å; N33-F54 HydrophobicContact CB-CD2 3.78Å; N33-F54 HydrophobicContact CB-CE2 4.06Å; N33-F54 HydrophobicContact CB-CG 4.06Å; N33-F54 VanDerWaalsContact CG-CD2 3.48Å; N33-F54 WeakPolarHBondContact ND2-CE2 3.24Å; N33-N93 WeakPolarHBondContact OD1-CA 3.48Å; N33-N93 WeakPolarHBondContact OD1-CB 3.47Å; N33-N93 VanDerWaalsContact OD1-CG 3.32Å; N33-N93 PolarHBondContact OD1-N 3.23Å
34	K	86.2	Confident	86.6	Confident	108 Å²	108	59.6 Å²	59.6	47%	0.47	31%	0.31	S	S	.	.	S	Bend	trans	-68.9	-10.2	177.2	-72.1	-177.8	-169.3	-64.7	0	113.7	A29 L30 A31 R42 G43 P44	A29-K34 WeakPolarHBondContact O-CE 3.4Å; A29-K34 PolarHBondContact O-NZ 2.71Å; L30-K34 WeakPolarHBondContact O-CG 3.48Å; L30-K34 PolarHBondContact O-N 3.43Å; L30-K34 VanDerWaalsContact O-N 3.1Å; A31-K34 PolarHBondContact O-N 3.23Å; K34-R42 WeakPolarHBondContact O-CA 3.41Å; K34-G43 PolarHBondContact O-N 3.43Å; K34-P44 VanDerWaalsContact C-CD 3.48Å; K34-P44 VanDerWaalsContact O-CD 3.32Å; K34-P44 WeakPolarHBondContact O-CD 3.21Å
35	Q	87.1	Confident	86.8	Confident	35 Å²	35	62.3 Å²	62.3	16%	0.164	33%	0.327	C	S	.	.	B	Isolated β-bridge	trans	-125.9	143.6	-177.4	-58.2	-168.6	-84.2	0	0	110.4	N33 F37 Y40 Q41 N93	N33-Q35 PolarHBondContact O-N 3.33Å; Q35-F37 PolarHBondContact O-N 2.86Å; Q35-Y40 PolarHBondContact NE2-O 2.92Å; Q35-Q41 CarbonylContact C-O 3.57Å; Q35-Q41 WeakPolarHBondContact CA-O 3.35Å; Q35-N93 PolarHBondContact O-ND2 3.47Å
36	C	89.6	Confident	87.1	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	31%	0.311	C	S	.	.			trans	-56.4	130.5	171.8	174.8	0	0	0	0	110.2	D38 C39 Y40 Q41 F54 C56	C36-D38 VanDerWaalsContact C-N 3.26Å; C36-D38 PolarHBondContact O-N 3.38Å; C36-D38 PolarHBondContact SG-N 3.5Å; C36-C39 WeakPolarHBondContact CB-SG 3.28Å; C36-C39 PolarHBondContact SG-SG 2.95Å; C36-Y40 WeakPolarHBondContact O-CA 3.11Å; C36-Y40 PolarHBondContact O-N 3.18Å; C36-Q41 HydrophobicContact CB-CB 4.45Å; C36-Q41 PolarHBondContact N-O 3.22Å; C36-F54 CarbonylContact C-O 3.52Å; C36-F54 WeakPolarHBondContact CA-O 3.3Å; C36-C56 HydrophobicContact CB-CB 3.76Å; C36-C56 VanDerWaalsContact SG-CB 3.54Å; C36-C56 PolarHBondContact SG-N 3.46Å
37	F	86.4	Confident	87.3	Confident	70 Å²	70	53 Å²	53	31%	0.307	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-36.9	178.9	179.7	-103.8	0	0	0	113.1	Q35 I51 F54 V55	Q35-F37 PolarHBondContact O-N 2.86Å; F37-I51 HydrophobicContact CD1-CD1 4.12Å; F37-I51 HydrophobicContact CE1-CD1 3.84Å; F37-I51 HydrophobicContact CZ-CD1 4.45Å; F37-F54 WeakPolarHBondContact CB-O 3.31Å; F37-F54 PolarHBondContact N-O 3.2Å; F37-V55 HydrophobicContact CB-CG1 4.09Å
38	D	84.7	Confident	87.6	Confident	20 Å²	20	51.4 Å²	51.4	11%	0.107	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-50.1	-177.3	-85.4	-53.5	0	0	0	113.9	C36 C59 R110 L119 K123	C36-D38 VanDerWaalsContact C-N 3.26Å; C36-D38 PolarHBondContact O-N 3.38Å; C36-D38 PolarHBondContact SG-N 3.5Å; D38-C59 HydrophobicContact CB-CB 4.16Å; D38-C59 WeakPolarHBondContact CB-SG 3.42Å; D38-R110 PolarHBondContact O-NH2 2.94Å; D38-L119 WeakPolarHBondContact O-CD2 2.98Å; D38-K123 IonicContact OD1-NZ 2.68Å; D38-K123 PolarHBondContact OD1-NZ 3.25Å
39	C	83.2	Confident	87.8	Confident	15 Å²	15	50.9 Å²	50.9	10%	0.101	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109	-5.2	-170.8	72.7	0	0	0	0	114.6	C36 Q41 C116 L119	C36-C39 WeakPolarHBondContact CB-SG 3.28Å; C36-C39 PolarHBondContact SG-SG 2.95Å; C39-Q41 PolarHBondContact O-N 3.36Å; C39-Q41 VanDerWaalsContact O-N 3.07Å; C39-Q41 WeakPolarHBondContact SG-CB 3.27Å; C39-Q41 PolarHBondContact SG-N 2.99Å; C39-C116 HydrophobicContact CB-CB 4.33Å; C39-C116 PolarHBondContact SG-SG 3.19Å; C39-L119 HydrophobicContact CB-CD2 3.96Å
40	Y	84	Confident	88	Confident	66 Å²	66	51.5 Å²	51.5	26%	0.259	27%	0.273	S	S	.	.			trans	61.5	9.6	-178.6	-56	-95.5	0	0	0	115.2	Q35 C36 R42 V106 P107 R110	Q35-Y40 PolarHBondContact NE2-O 2.92Å; C36-Y40 WeakPolarHBondContact O-CA 3.11Å; C36-Y40 PolarHBondContact O-N 3.18Å; Y40-R42 PolarHBondContact O-N 3.18Å; Y40-V106 HydrophobicContact CE1-CG1 4.2Å; Y40-P107 HydrophobicContact CE1-CG 4.1Å; Y40-P107 HydrophobicContact CE2-CG 3.76Å; Y40-P107 VanDerWaalsContact OH-CD 3.29Å; Y40-P107 WeakPolarHBondContact OH-CD 3.47Å; Y40-P107 WeakPolarHBondContact OH-CG 3.46Å; Y40-R110 VanDerWaalsContact CD2-NH2 3.25Å; Y40-R110 VanDerWaalsContact CE2-NH2 3.31Å
41	Q	84.7	Confident	88.2	Confident	96 Å²	96	50.9 Å²	50.9	45%	0.449	27%	0.269	S	S	.	.			trans	-57.4	136.6	170.3	-176.8	179.9	-30.8	0	0	109.6	Q35 C36 C39 C56	Q35-Q41 CarbonylContact C-O 3.57Å; Q35-Q41 WeakPolarHBondContact CA-O 3.35Å; C36-Q41 HydrophobicContact CB-CB 4.45Å; C36-Q41 PolarHBondContact N-O 3.22Å; C39-Q41 PolarHBondContact O-N 3.36Å; C39-Q41 VanDerWaalsContact O-N 3.07Å; C39-Q41 WeakPolarHBondContact SG-CB 3.27Å; C39-Q41 PolarHBondContact SG-N 2.99Å; Q41-C56 PolarHBondContact OE1-SG 2.85Å; Q41-C56 VanDerWaalsContact OE1-SG 3.38Å
42	R	86.8	Confident	88.7	Confident	195 Å²	195	47.1 Å²	47.1	74%	0.736	24%	0.238	S	C	*	.	B	Isolated β-bridge	trans	-67.1	147.5	177.5	-68.4	-177	176	147.7	-1.8	111.6	K34 Y40	K34-R42 WeakPolarHBondContact O-CA 3.41Å; Y40-R42 PolarHBondContact O-N 3.18Å
43	G	87.1	Confident	89.2	Confident	48 Å²	48	43.9 Å²	43.9	50%	0.495	22%	0.216	S	C	.	.	S	Bend	trans	71.2	61.9	174.8	0	0	0	0	0	113	K34 T45	K34-G43 PolarHBondContact O-N 3.43Å; G43-T45 PolarHBondContact O-N 3.06Å
44	P	91.9	Very high	89.6	Confident	11 Å²	11	43.9 Å²	43.9	7%	0.071	22%	0.216	C	C	.	.			trans	-60.3	135.3	168.1	26.6	-31.7	0	0	0	110.1	N33 K34 F54 V55 I75	N33-P44 WeakPolarHBondContact O-CG 3.46Å; K34-P44 VanDerWaalsContact C-CD 3.48Å; K34-P44 VanDerWaalsContact O-CD 3.32Å; K34-P44 WeakPolarHBondContact O-CD 3.21Å; P44-F54 HydrophobicContact CB-CB 3.79Å; P44-F54 HydrophobicContact CG-CB 3.62Å; P44-F54 HydrophobicContact CG-CD1 4.48Å; P44-F54 HydrophobicContact CG-CG 4.47Å; P44-V55 WeakPolarHBondContact CA-O 3.41Å; P44-V55 VanDerWaalsContact CB-C 3.48Å; P44-V55 WeakPolarHBondContact CB-O 3.16Å; P44-I75 WeakPolarHBondContact O-CD1 3.32Å
45	T	95.2	Very high	89.9	Confident	58 Å²	58	38.7 Å²	38.7	36%	0.356	19%	0.194	S	C	.	.			trans	-114.6	-4.8	-175.5	48.4	0	0	0	0	112.4	G43 V55 T57 I75	G43-T45 PolarHBondContact O-N 3.06Å; T45-V55 PolarHBondContact N-O 3.36Å; T45-V55 VanDerWaalsContact N-O 3.12Å; T45-T57 PolarHBondContact OG1-OG1 2.77Å; T45-T57 VanDerWaalsContact OG1-OG1 3.06Å; T45-I75 WeakPolarHBondContact O-CG1 3.03Å; T45-I75 PolarHBondContact O-N 2.92Å
46	Y	96.7	Very high	90.2	Very high	59 Å²	59	37.2 Å²	37.2	23%	0.231	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	156.4	179.4	-73.4	-99.8	0	0	0	110.2	F54 V55 T57 K73	Y46-F54 CarbonylContact O-C 3.37Å; Y46-F54 WeakPolarHBondContact O-CA 3.09Å; Y46-V55 PolarHBondContact N-O 3.1Å; Y46-V55 PolarHBondContact O-N 2.94Å; Y46-T57 HydrophobicContact CE2-CG2 3.84Å; Y46-K73 CarbonylContact C-O 3.53Å; Y46-K73 VanDerWaalsContact CA-O 3.28Å; Y46-K73 WeakPolarHBondContact CA-O 3.46Å
47	I	94.9	Very high	90.4	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	128.5	172.4	-59.8	173.7	0	0	0	107.6	L24 M49 S53 F54 V72 K73 I75 F80 V88	L24-I47 HydrophobicContact CD1-CD1 4.45Å; L24-I47 HydrophobicContact CD2-CD1 3.62Å; L24-I47 HydrophobicContact CG-CD1 4.5Å; I47-M49 HydrophobicContact CB-SD 4.43Å; I47-M49 HydrophobicContact CG2-SD 3.81Å; I47-M49 PolarHBondContact O-N 3.46Å; I47-S53 CarbonylContact C-O 3.44Å; I47-S53 VanDerWaalsContact CA-O 3.29Å; I47-S53 WeakPolarHBondContact CA-O 3.41Å; I47-F54 HydrophobicContact CD1-CD1 4.45Å; I47-F54 HydrophobicContact CD1-CE1 3.81Å; I47-F54 HydrophobicContact CD1-CZ 4.05Å; I47-F54 HydrophobicContact CG1-CD1 3.96Å; I47-F54 HydrophobicContact CG1-CE1 3.83Å; I47-F54 HydrophobicContact CG1-CZ 4.31Å; I47-V72 CarbonylContact O-C 3.53Å; I47-V72 VanDerWaalsContact O-CA 3.3Å; I47-V72 WeakPolarHBondContact O-CA 3.38Å; I47-K73 PolarHBondContact N-O 3.29Å; I47-K73 PolarHBondContact O-N 3.29Å; I47-I75 HydrophobicContact CD1-CG1 3.94Å; I47-I75 HydrophobicContact CG1-CD1 4.26Å; I47-I75 HydrophobicContact CG1-CG1 3.76Å; I47-F80 HydrophobicContact CD1-CE1 4.09Å; I47-F80 HydrophobicContact CD1-CZ 4.07Å; I47-V88 HydrophobicContact CD1-CG1 4.07Å; I47-V88 HydrophobicContact CD1-CG2 4.19Å; I47-V88 HydrophobicContact CG2-CG2 3.8Å
48	D	94.2	Very high	90.7	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.005	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	104.9	166.7	-176.4	-3.2	0	0	0	109.2	T50 I51 G52 S53 L63 H70 V72	D48-T50 PolarHBondContact O-N 3.26Å; D48-T50 WeakPolarHBondContact OD1-CB 3.35Å; D48-T50 PolarHBondContact OD1-N 3.49Å; D48-T50 PolarHBondContact OD1-OG1 2.82Å; D48-I51 HydrophobicContact CB-CG1 4.13Å; D48-I51 PolarHBondContact O-N 2.71Å; D48-G52 WeakPolarHBondContact O-CA 3.35Å; D48-G52 PolarHBondContact O-N 3.41Å; D48-S53 PolarHBondContact N-O 3.43Å; D48-S53 PolarHBondContact O-N 3.33Å; D48-L63 HydrophobicContact CB-CD1 4.08Å; D48-H70 IonicContact OD1-ND1 2.61Å; D48-H70 IonicContact OD2-CE1 2.72Å; D48-H70 IonicContact OD2-CG 3.6Å; D48-H70 IonicContact OD2-ND1 3.68Å; D48-H70 PolarHBondContact OD2-ND1 2.79Å; D48-V72 HydrophobicContact CB-CG1 4.35Å
49	M	94	Very high	91	Very high	12 Å²	12	38.9 Å²	38.9	6%	0.059	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-10.2	178.7	-59.7	-58.6	-56.1	0	0	113.3	I47 R71 K73 F80 E84 F87 V88	I47-M49 HydrophobicContact CB-SD 4.43Å; I47-M49 HydrophobicContact CG2-SD 3.81Å; I47-M49 PolarHBondContact O-N 3.46Å; M49-R71 WeakPolarHBondContact CA-O 3.49Å; M49-R71 HydrophobicContact CB-CB 4.25Å; M49-R71 HydrophobicContact CB-CG 4.33Å; M49-R71 WeakPolarHBondContact CB-O 2.97Å; M49-R71 PolarHBondContact N-O 3.44Å; M49-K73 HydrophobicContact CG-CB 4.31Å; M49-K73 HydrophobicContact CG-CD 4.11Å; M49-K73 HydrophobicContact CG-CG 4.05Å; M49-F80 HydrophobicContact SD-CD1 4.28Å; M49-F80 HydrophobicContact SD-CE1 3.76Å; M49-E84 HydrophobicContact CE-CB 3.56Å; M49-E84 HydrophobicContact CE-CG 3.6Å; M49-F87 HydrophobicContact CE-CD1 3.9Å; M49-F87 VanDerWaalsContact O-CE1 3.27Å; M49-F87 WeakPolarHBondContact O-CE1 3.27Å; M49-V88 HydrophobicContact CE-CG2 4.22Å; M49-V88 HydrophobicContact SD-CG2 4Å
50	T	91.5	Very high	91.5	Very high	67 Å²	67	38.5 Å²	38.5	41%	0.411	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-39.7	172.5	-58.4	0	0	0	0	110.5	D48 H70 R71	D48-T50 PolarHBondContact O-N 3.26Å; D48-T50 WeakPolarHBondContact OD1-CB 3.35Å; D48-T50 PolarHBondContact OD1-N 3.49Å; D48-T50 PolarHBondContact OD1-OG1 2.82Å; T50-H70 WeakPolarHBondContact OG1-CA 3.32Å; T50-R71 PolarHBondContact OG1-N 3.06Å
51	I	88.3	Confident	91.9	Very high	56 Å²	56	37.2 Å²	37.2	29%	0.287	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.8	-16.8	-175.5	62.6	174.3	0	0	0	114.5	F37 D48 S53 R91	F37-I51 HydrophobicContact CD1-CD1 4.12Å; F37-I51 HydrophobicContact CE1-CD1 3.84Å; F37-I51 HydrophobicContact CZ-CD1 4.45Å; D48-I51 HydrophobicContact CB-CG1 4.13Å; D48-I51 PolarHBondContact O-N 2.71Å; I51-S53 VanDerWaalsContact CD1-OG 3.26Å; I51-S53 WeakPolarHBondContact CD1-OG 3.42Å; I51-S53 WeakPolarHBondContact CG1-OG 3.19Å; I51-R91 VanDerWaalsContact O-CD 3.3Å; I51-R91 WeakPolarHBondContact O-CD 3.37Å
52	G	90.7	Very high	92.2	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.1	24.5	-178.1	0	0	0	0	0	114.8	D48 G92	D48-G52 WeakPolarHBondContact O-CA 3.35Å; D48-G52 PolarHBondContact O-N 3.41Å; G52-G92 CarbonylContact O-C 3.52Å; G52-G92 WeakPolarHBondContact O-CA 3.3Å; G52-G92 PolarHBondContact O-N 2.84Å
53	S	90.4	Very high	92.4	Very high	4 Å²	4	26 Å²	26	3%	0.028	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	157	-175.7	74.3	0	0	0	0	113.2	I47 D48 I51 N93	I47-S53 CarbonylContact C-O 3.44Å; I47-S53 VanDerWaalsContact CA-O 3.29Å; I47-S53 WeakPolarHBondContact CA-O 3.41Å; D48-S53 PolarHBondContact N-O 3.43Å; D48-S53 PolarHBondContact O-N 3.33Å; I51-S53 VanDerWaalsContact CD1-OG 3.26Å; I51-S53 WeakPolarHBondContact CD1-OG 3.42Å; I51-S53 WeakPolarHBondContact CG1-OG 3.19Å; S53-N93 WeakPolarHBondContact CA-OD1 3.28Å; S53-N93 WeakPolarHBondContact CB-OD1 3.45Å
54	F	93.5	Very high	92.6	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	127.9	179.3	-72.2	-99.6	0	0	0	111.1	Q27 A28 N33 C36 F37 P44 Y46 I47 I75 V88 N93	Q27-F54 HydrophobicContact CB-CE2 4.39Å; Q27-F54 HydrophobicContact CB-CZ 3.72Å; A28-F54 HydrophobicContact CB-CD1 4.15Å; A28-F54 HydrophobicContact CB-CE1 3.78Å; N33-F54 HydrophobicContact CB-CD2 3.78Å; N33-F54 HydrophobicContact CB-CE2 4.06Å; N33-F54 HydrophobicContact CB-CG 4.06Å; N33-F54 VanDerWaalsContact CG-CD2 3.48Å; N33-F54 WeakPolarHBondContact ND2-CE2 3.24Å; C36-F54 CarbonylContact C-O 3.52Å; C36-F54 WeakPolarHBondContact CA-O 3.3Å; F37-F54 WeakPolarHBondContact CB-O 3.31Å; F37-F54 PolarHBondContact N-O 3.2Å; P44-F54 HydrophobicContact CB-CB 3.79Å; P44-F54 HydrophobicContact CG-CB 3.62Å; P44-F54 HydrophobicContact CG-CD1 4.48Å; P44-F54 HydrophobicContact CG-CG 4.47Å; Y46-F54 CarbonylContact O-C 3.37Å; Y46-F54 WeakPolarHBondContact O-CA 3.09Å; I47-F54 HydrophobicContact CD1-CD1 4.45Å; I47-F54 HydrophobicContact CD1-CE1 3.81Å; I47-F54 HydrophobicContact CD1-CZ 4.05Å; I47-F54 HydrophobicContact CG1-CD1 3.96Å; I47-F54 HydrophobicContact CG1-CE1 3.83Å; I47-F54 HydrophobicContact CG1-CZ 4.31Å; F54-I75 HydrophobicContact CD1-CD1 3.83Å; F54-I75 HydrophobicContact CE1-CD1 3.93Å; F54-V88 HydrophobicContact CE2-CG1 4.08Å; F54-V88 HydrophobicContact CZ-CG1 3.87Å; F54-N93 PolarHBondContact N-OD1 3.18Å
55	V	92.9	Very high	92.5	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	151.8	-173.7	-65.1	0	0	0	0	115.1	F37 P44 T45 Y46 L63	F37-V55 HydrophobicContact CB-CG1 4.09Å; P44-V55 WeakPolarHBondContact CA-O 3.41Å; P44-V55 VanDerWaalsContact CB-C 3.48Å; P44-V55 WeakPolarHBondContact CB-O 3.16Å; T45-V55 PolarHBondContact N-O 3.36Å; T45-V55 VanDerWaalsContact N-O 3.12Å; Y46-V55 PolarHBondContact N-O 3.1Å; Y46-V55 PolarHBondContact O-N 2.94Å; V55-L63 HydrophobicContact CB-CD1 4.38Å; V55-L63 HydrophobicContact CG1-CD1 3.99Å; V55-L63 HydrophobicContact CG2-CD1 4Å
56	C	94.1	Very high	92.2	Very high	4 Å²	4	33.1 Å²	33.1	3%	0.027	19%	0.191	C	C	.	.			trans	-57.5	147.8	169.9	158.8	0	0	0	0	109.9	C36 Q41 S58 C59 S60 C116	C36-C56 HydrophobicContact CB-CB 3.76Å; C36-C56 VanDerWaalsContact SG-CB 3.54Å; C36-C56 PolarHBondContact SG-N 3.46Å; Q41-C56 PolarHBondContact OE1-SG 2.85Å; Q41-C56 VanDerWaalsContact OE1-SG 3.38Å; C56-S58 PolarHBondContact O-N 3.43Å; C56-S58 PolarHBondContact SG-N 3.42Å; C56-S58 VanDerWaalsContact SG-N 3.41Å; C56-S58 PolarHBondContact SG-OG 2.92Å; C56-C59 HydrophobicContact CB-CB 4.32Å; C56-C59 PolarHBondContact O-N 2.7Å; C56-S60 PolarHBondContact O-N 3Å; C56-C116 WeakPolarHBondContact CB-SG 3.46Å; C56-C116 WeakPolarHBondContact SG-CB 3.49Å; C56-C116 CovalentContact SG-SG 2.13Å; C56-C116 PolarHBondContact SG-SG 2.82Å
57	T	93.9	Very high	91.8	Very high	78 Å²	78	38.1 Å²	38.1	48%	0.479	22%	0.222	S	C	.	.	H	α-helix	trans	-50.1	-45	172.6	-55.5	0	0	0	0	111.5	T45 Y46 S60 G61	T45-T57 PolarHBondContact OG1-OG1 2.77Å; T45-T57 VanDerWaalsContact OG1-OG1 3.06Å; Y46-T57 HydrophobicContact CE2-CG2 3.84Å; T57-S60 WeakPolarHBondContact O-CB 3.42Å; T57-S60 PolarHBondContact O-N 2.91Å; T57-S60 PolarHBondContact O-OG 2.9Å; T57-G61 PolarHBondContact O-N 3.38Å; T57-G61 VanDerWaalsContact O-N 3.16Å
58	S	92	Very high	91.6	Very high	44 Å²	44	43 Å²	43	31%	0.308	25%	0.254	S	S	.	.	H	α-helix	trans	-66.4	-44.2	-178.5	-34.2	0	0	0	0	112.7	C56 S60 G61 L62 C116	C56-S58 PolarHBondContact O-N 3.43Å; C56-S58 PolarHBondContact SG-N 3.42Å; C56-S58 VanDerWaalsContact SG-N 3.41Å; C56-S58 PolarHBondContact SG-OG 2.92Å; S58-S60 VanDerWaalsContact C-N 3.31Å; S58-S60 PolarHBondContact O-N 3.33Å; S58-G61 PolarHBondContact O-N 2.72Å; S58-G61 VanDerWaalsContact O-N 3.15Å; S58-L62 PolarHBondContact O-N 3.3Å; S58-C116 VanDerWaalsContact CB-SG 3.56Å
59	C	91.8	Very high	91.4	Very high	3 Å²	3	47 Å²	47	2%	0.02	28%	0.28	C	S	.	.	H	α-helix	trans	-69.5	-30.3	177.8	-94.8	0	0	0	0	111.5	D38 C56 G61 L62 L63 C120	D38-C59 HydrophobicContact CB-CB 4.16Å; D38-C59 WeakPolarHBondContact CB-SG 3.42Å; C56-C59 HydrophobicContact CB-CB 4.32Å; C56-C59 PolarHBondContact O-N 2.7Å; C59-G61 VanDerWaalsContact C-N 3.28Å; C59-G61 PolarHBondContact O-N 3.45Å; C59-L62 PolarHBondContact O-N 2.76Å; C59-L62 VanDerWaalsContact O-N 3.14Å; C59-L63 WeakPolarHBondContact O-CB 3.45Å; C59-L63 VanDerWaalsContact O-CG 3.27Å; C59-L63 WeakPolarHBondContact O-CG 3.32Å; C59-L63 PolarHBondContact O-N 2.81Å; C59-C120 HydrophobicContact CB-CB 4.45Å; C59-C120 WeakPolarHBondContact CB-SG 3.45Å; C59-C120 WeakPolarHBondContact SG-CB 3.2Å; C59-C120 CovalentContact SG-SG 2.06Å; C59-C120 PolarHBondContact SG-SG 2.78Å
60	S	93	Very high	91.4	Very high	6 Å²	6	48.8 Å²	48.8	4%	0.042	29%	0.288	C	S	.	.	H	α-helix	trans	-59.8	-38.4	169.8	84.2	0	0	0	0	112.4	C56 T57 S58 L62 L63 R64	C56-S60 PolarHBondContact O-N 3Å; T57-S60 WeakPolarHBondContact O-CB 3.42Å; T57-S60 PolarHBondContact O-N 2.91Å; T57-S60 PolarHBondContact O-OG 2.9Å; S58-S60 VanDerWaalsContact C-N 3.31Å; S58-S60 PolarHBondContact O-N 3.33Å; S60-L62 VanDerWaalsContact C-N 3.33Å; S60-L62 PolarHBondContact O-N 2.82Å; S60-L63 PolarHBondContact O-N 3.1Å; S60-R64 WeakPolarHBondContact O-CG 3.34Å; S60-R64 PolarHBondContact O-N 3.48Å
61	G	92.8	Very high	91.6	Very high	40 Å²	40	52.3 Å²	52.3	41%	0.412	29%	0.294	S	S	.	.	H	α-helix	trans	-63	-39.1	174.4	0	0	0	0	0	112.6	T57 S58 C59 R64 G65	T57-G61 PolarHBondContact O-N 3.38Å; T57-G61 VanDerWaalsContact O-N 3.16Å; S58-G61 PolarHBondContact O-N 2.72Å; S58-G61 VanDerWaalsContact O-N 3.15Å; C59-G61 VanDerWaalsContact C-N 3.28Å; C59-G61 PolarHBondContact O-N 3.45Å; G61-R64 PolarHBondContact O-N 3.18Å; G61-G65 PolarHBondContact O-N 3.43Å
62	L	90.9	Very high	91.9	Very high	43 Å²	43	50.8 Å²	50.8	23%	0.225	29%	0.287	C	S	.	.	H	α-helix	trans	-72.2	-40.6	177.9	-62.7	-158.7	0	0	0	113.5	S58 C59 S60 R64 G65 L66 C120 L124	S58-L62 PolarHBondContact O-N 3.3Å; C59-L62 PolarHBondContact O-N 2.76Å; C59-L62 VanDerWaalsContact O-N 3.14Å; S60-L62 VanDerWaalsContact C-N 3.33Å; S60-L62 PolarHBondContact O-N 2.82Å; L62-R64 PolarHBondContact O-N 2.85Å; L62-G65 CarbonylContact O-C 3.55Å; L62-G65 WeakPolarHBondContact O-CA 3.08Å; L62-G65 PolarHBondContact O-N 2.86Å; L62-L66 PolarHBondContact O-N 3.07Å; L62-C120 VanDerWaalsContact CD1-CA 3.44Å; L62-C120 HydrophobicContact CD1-CB 3.16Å; L62-C120 WeakPolarHBondContact CD1-O 3.29Å; L62-C120 HydrophobicContact CG-CB 4.01Å; L62-L124 HydrophobicContact CD1-CB 4.17Å; L62-L124 HydrophobicContact CD2-CD2 4.16Å
63	L	91.2	Very high	92.2	Very high	13 Å²	13	53 Å²	53	7%	0.068	30%	0.296	C	S	.	.	H	α-helix	trans	-56.9	-36.4	175.6	-76.1	172.4	0	0	0	111.2	D48 V55 C59 S60 G65 L66 H70 V72	D48-L63 HydrophobicContact CB-CD1 4.08Å; V55-L63 HydrophobicContact CB-CD1 4.38Å; V55-L63 HydrophobicContact CG1-CD1 3.99Å; V55-L63 HydrophobicContact CG2-CD1 4Å; C59-L63 WeakPolarHBondContact O-CB 3.45Å; C59-L63 VanDerWaalsContact O-CG 3.27Å; C59-L63 WeakPolarHBondContact O-CG 3.32Å; C59-L63 PolarHBondContact O-N 2.81Å; S60-L63 PolarHBondContact O-N 3.1Å; L63-G65 VanDerWaalsContact C-N 3.29Å; L63-G65 PolarHBondContact O-N 3.38Å; L63-L66 HydrophobicContact CD2-CD1 3.9Å; L63-L66 PolarHBondContact O-N 3.12Å; L63-H70 HydrophobicContact CB-CB 3.92Å; L63-H70 HydrophobicContact CD2-CB 4.26Å; L63-H70 PolarHBondContact O-N 2.81Å; L63-V72 HydrophobicContact CB-CG1 3.87Å; L63-V72 HydrophobicContact CD1-CG1 4.04Å
64	R	91.6	Very high	92.5	Very high	170 Å²	170	53.4 Å²	53.4	64%	0.642	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-22.1	172.2	-64.7	173.9	80.8	-110.1	-0.3	114.1	S60 G61 L62 P69 V72	S60-R64 WeakPolarHBondContact O-CG 3.34Å; S60-R64 PolarHBondContact O-N 3.48Å; G61-R64 PolarHBondContact O-N 3.18Å; L62-R64 PolarHBondContact O-N 2.85Å; R64-P69 VanDerWaalsContact O-CB 3.32Å; R64-P69 WeakPolarHBondContact O-CB 3.41Å; R64-V72 HydrophobicContact CG-CG2 3.42Å; R64-V72 VanDerWaalsContact CG-CG2 3.42Å
65	G	90.1	Very high	92.5	Very high	54 Å²	54	54.1 Å²	54.1	56%	0.557	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	-5.5	178.3	0	0	0	0	0	114.3	G61 L62 L63	G61-G65 PolarHBondContact O-N 3.43Å; L62-G65 CarbonylContact O-C 3.55Å; L62-G65 WeakPolarHBondContact O-CA 3.08Å; L62-G65 PolarHBondContact O-N 2.86Å; L63-G65 VanDerWaalsContact C-N 3.29Å; L63-G65 PolarHBondContact O-N 3.38Å
66	L	88.4	Confident	92.3	Very high	42 Å²	42	58 Å²	58	22%	0.22	33%	0.33	C	S	.	.	S	Bend	trans	-68	162.3	173.9	-63	-178.9	0	0	0	111.4	L62 L63 P68 P69 L124 A127	L62-L66 PolarHBondContact O-N 3.07Å; L63-L66 HydrophobicContact CD2-CD1 3.9Å; L63-L66 PolarHBondContact O-N 3.12Å; L66-P68 VanDerWaalsContact C-C 3.48Å; L66-P68 CarbonylContact C-O 3.59Å; L66-P68 WeakPolarHBondContact CB-O 3.19Å; L66-P68 CarbonylContact O-C 3.56Å; L66-P69 WeakPolarHBondContact O-CA 3.29Å; L66-L124 HydrophobicContact CD2-CD1 4.24Å; L66-A127 HydrophobicContact CD2-CB 3.92Å
67	N	87.1	Confident	92.1	Very high	163 Å²	163	65.6 Å²	65.6	87%	0.872	37%	0.367	S	S	*	.	S	Bend	trans	-127	104.8	175.4	-145.5	-77	0	0	0	109.5
68	P	90.6	Very high	92	Very high	104 Å²	104	63.1 Å²	63.1	68%	0.675	36%	0.355	S	S	*	.	S	Bend	cis	-70.4	152.9	0.6	30.6	-35.6	0	0	0	113.3	L66	L66-P68 VanDerWaalsContact C-C 3.48Å; L66-P68 CarbonylContact C-O 3.59Å; L66-P68 WeakPolarHBondContact CB-O 3.19Å; L66-P68 CarbonylContact O-C 3.56Å
69	P	91.3	Very high	92	Very high	83 Å²	83	64.6 Å²	64.6	54%	0.539	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-72.4	137.8	179.9	29.6	-35.2	0	0	0	110.7	R64 L66	R64-P69 VanDerWaalsContact O-CB 3.32Å; R64-P69 WeakPolarHBondContact O-CB 3.41Å; L66-P69 WeakPolarHBondContact O-CA 3.29Å
70	H	93.2	Very high	92.1	Very high	50 Å²	50	64.9 Å²	64.9	23%	0.231	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-75.4	147.3	173.7	-78.9	-142.3	0	0	0	111.1	D48 T50 L63 V72	D48-H70 IonicContact OD1-ND1 2.61Å; D48-H70 IonicContact OD2-CE1 2.72Å; D48-H70 IonicContact OD2-CG 3.6Å; D48-H70 IonicContact OD2-ND1 3.68Å; D48-H70 PolarHBondContact OD2-ND1 2.79Å; T50-H70 WeakPolarHBondContact OG1-CA 3.32Å; L63-H70 HydrophobicContact CB-CB 3.92Å; L63-H70 HydrophobicContact CD2-CB 4.26Å; L63-H70 PolarHBondContact O-N 2.81Å; H70-V72 PolarHBondContact O-N 2.64Å
71	R	95.3	Very high	92	Very high	141 Å²	141	68 Å²	68	53%	0.532	38%	0.382	S	S	.	.			trans	-87.8	102.9	179.5	-169	174.1	97.3	-156	7.3	109.4	M49 T50 E84	M49-R71 WeakPolarHBondContact CA-O 3.49Å; M49-R71 HydrophobicContact CB-CB 4.25Å; M49-R71 HydrophobicContact CB-CG 4.33Å; M49-R71 WeakPolarHBondContact CB-O 2.97Å; M49-R71 PolarHBondContact N-O 3.44Å; T50-R71 PolarHBondContact OG1-N 3.06Å; R71-E84 IonicContact CZ-OE1 3.97Å; R71-E84 IonicContact NE-OE1 3.69Å; R71-E84 IonicContact NH2-OE1 2.71Å; R71-E84 PolarHBondContact NH2-OE1 2.89Å
72	V	95.8	Very high	91.8	Very high	25 Å²	25	69 Å²	69	15%	0.152	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	144.6	178.2	-60.3	0	0	0	0	112.2	I47 D48 L63 R64 H70	I47-V72 CarbonylContact O-C 3.53Å; I47-V72 VanDerWaalsContact O-CA 3.3Å; I47-V72 WeakPolarHBondContact O-CA 3.38Å; D48-V72 HydrophobicContact CB-CG1 4.35Å; L63-V72 HydrophobicContact CB-CG1 3.87Å; L63-V72 HydrophobicContact CD1-CG1 4.04Å; R64-V72 HydrophobicContact CG-CG2 3.42Å; R64-V72 VanDerWaalsContact CG-CG2 3.42Å; H70-V72 PolarHBondContact O-N 2.64Å
73	K	96.6	Very high	91.8	Very high	45 Å²	45	72.9 Å²	72.9	20%	0.196	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	138.8	175.5	-76.1	-169.8	168.8	-170.7	0	111.5	Y46 I47 M49 A78 T79 F80 E84	Y46-K73 CarbonylContact C-O 3.53Å; Y46-K73 VanDerWaalsContact CA-O 3.28Å; Y46-K73 WeakPolarHBondContact CA-O 3.46Å; I47-K73 PolarHBondContact N-O 3.29Å; I47-K73 PolarHBondContact O-N 3.29Å; M49-K73 HydrophobicContact CG-CB 4.31Å; M49-K73 HydrophobicContact CG-CD 4.11Å; M49-K73 HydrophobicContact CG-CG 4.05Å; K73-A78 HydrophobicContact CB-CB 3.86Å; K73-A78 HydrophobicContact CD-CB 4.24Å; K73-A78 HydrophobicContact CG-CB 4.14Å; K73-T79 PolarHBondContact NZ-O 3.14Å; K73-F80 HydrophobicContact CB-CE1 3.94Å; K73-F80 HydrophobicContact CB-CE2 4.3Å; K73-F80 HydrophobicContact CB-CZ 3.56Å; K73-F80 HydrophobicContact CD-CD1 4.2Å; K73-F80 HydrophobicContact CD-CE1 3.94Å; K73-F80 HydrophobicContact CD-CZ 4.16Å; K73-E84 VanDerWaalsContact CE-OE1 3.25Å; K73-E84 WeakPolarHBondContact CE-OE1 3.49Å; K73-E84 IonicContact NZ-OE1 3.68Å; K73-E84 PolarHBondContact NZ-OE1 3.48Å; K73-E84 IonicContact NZ-OE2 2.76Å; K73-E84 PolarHBondContact NZ-OE2 3.24Å
74	S	95.8	Very high	91.9	Very high	14 Å²	14	72.9 Å²	72.9	10%	0.098	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	134.3	172.5	171.7	0	0	0	0	110.2	S76 M77 A78 F80	S74-S76 VanDerWaalsContact C-N 3.27Å; S74-S76 PolarHBondContact O-N 2.69Å; S74-S76 PolarHBondContact OG-N 2.95Å; S74-M77 PolarHBondContact OG-N 2.67Å; S74-A78 VanDerWaalsContact O-CB 3.24Å; S74-A78 WeakPolarHBondContact O-CB 3.19Å; S74-A78 PolarHBondContact O-N 3.03Å; S74-F80 WeakPolarHBondContact O-CE2 3.48Å
75	I	93.3	Very high	91.9	Very high	15 Å²	15	65.1 Å²	65.1	8%	0.077	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-38.5	178.7	-65.6	170.9	0	0	0	111.4	L21 L24 A28 P44 T45 I47 F54	L21-I75 HydrophobicContact CD1-CG2 4.45Å; L21-I75 WeakPolarHBondContact CD1-O 3.47Å; L24-I75 HydrophobicContact CB-CG2 4.08Å; A28-I75 HydrophobicContact CB-CD1 4.41Å; P44-I75 WeakPolarHBondContact O-CD1 3.32Å; T45-I75 WeakPolarHBondContact O-CG1 3.03Å; T45-I75 PolarHBondContact O-N 2.92Å; I47-I75 HydrophobicContact CD1-CG1 3.94Å; I47-I75 HydrophobicContact CG1-CD1 4.26Å; I47-I75 HydrophobicContact CG1-CG1 3.76Å; F54-I75 HydrophobicContact CD1-CD1 3.83Å; F54-I75 HydrophobicContact CE1-CD1 3.93Å
76	S	89.4	Confident	92	Very high	80 Å²	80	69.2 Å²	69.2	56%	0.559	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.6	-21.4	-172.9	55.7	0	0	0	0	114.7	S74	S74-S76 VanDerWaalsContact C-N 3.27Å; S74-S76 PolarHBondContact O-N 2.69Å; S74-S76 PolarHBondContact OG-N 2.95Å
77	M	90.4	Very high	92	Very high	165 Å²	165	70 Å²	70	81%	0.813	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.8	-16.9	-173.5	-59.3	-173.3	72.4	0	0	114.1	S74	S74-M77 PolarHBondContact OG-N 2.67Å
78	A	92.3	Very high	92.1	Very high	26 Å²	26	62.2 Å²	62.2	22%	0.215	34%	0.343	C	S	.	.	S	Bend	trans	-96.8	145.2	-179.6	0	0	0	0	0	111.5	K73 S74 F80	K73-A78 HydrophobicContact CB-CB 3.86Å; K73-A78 HydrophobicContact CD-CB 4.24Å; K73-A78 HydrophobicContact CG-CB 4.14Å; S74-A78 VanDerWaalsContact O-CB 3.24Å; S74-A78 WeakPolarHBondContact O-CB 3.19Å; S74-A78 PolarHBondContact O-N 3.03Å; A78-F80 HydrophobicContact CB-CE2 4.05Å; A78-F80 VanDerWaalsContact O-CD2 3.28Å; A78-F80 WeakPolarHBondContact O-CD2 3.33Å; A78-F80 WeakPolarHBondContact O-CE2 3.47Å
79	T	91.5	Very high	91.9	Very high	75 Å²	75	62 Å²	62	46%	0.46	33%	0.331	S	S	.	.			trans	-81.2	134.1	167.4	-66.7	0	0	0	0	110.1	D17 K73	D17-T79 WeakPolarHBondContact OD2-CB 3.36Å; D17-T79 VanDerWaalsContact OD2-CG2 3.24Å; D17-T79 WeakPolarHBondContact OD2-CG2 3.39Å; D17-T79 PolarHBondContact OD2-OG1 3.18Å; K73-T79 PolarHBondContact NZ-O 3.14Å
80	F	92.6	Very high	91.5	Very high	8 Å²	8	61.4 Å²	61.4	4%	0.035	33%	0.329	C	S	.	.			trans	-110	136.5	175.8	-69.3	-103.4	0	0	0	110	N20 L24 I47 M49 K73 S74 A78 E84 I85	N20-F80 PolarHBondContact ND2-O 2.93Å; L24-F80 HydrophobicContact CD1-CD1 4.06Å; L24-F80 HydrophobicContact CD1-CD2 3.35Å; L24-F80 HydrophobicContact CD1-CE1 4.05Å; L24-F80 HydrophobicContact CD1-CE2 3.35Å; L24-F80 HydrophobicContact CD1-CG 3.73Å; L24-F80 HydrophobicContact CD1-CZ 3.71Å; I47-F80 HydrophobicContact CD1-CE1 4.09Å; I47-F80 HydrophobicContact CD1-CZ 4.07Å; M49-F80 HydrophobicContact SD-CD1 4.28Å; M49-F80 HydrophobicContact SD-CE1 3.76Å; K73-F80 HydrophobicContact CB-CE1 3.94Å; K73-F80 HydrophobicContact CB-CE2 4.3Å; K73-F80 HydrophobicContact CB-CZ 3.56Å; K73-F80 HydrophobicContact CD-CD1 4.2Å; K73-F80 HydrophobicContact CD-CE1 3.94Å; K73-F80 HydrophobicContact CD-CZ 4.16Å; S74-F80 WeakPolarHBondContact O-CE2 3.48Å; A78-F80 HydrophobicContact CB-CE2 4.05Å; A78-F80 VanDerWaalsContact O-CD2 3.28Å; A78-F80 WeakPolarHBondContact O-CD2 3.33Å; A78-F80 WeakPolarHBondContact O-CE2 3.47Å; F80-E84 WeakPolarHBondContact CA-OE2 3.32Å; F80-E84 HydrophobicContact CB-CB 4.45Å; F80-E84 HydrophobicContact CD1-CB 4.18Å; F80-I85 HydrophobicContact CB-CD1 3.59Å; F80-I85 HydrophobicContact CB-CG1 3.91Å; F80-I85 HydrophobicContact CD1-CD1 4.29Å; F80-I85 HydrophobicContact CG-CD1 4.02Å
81	T	91.8	Very high	90.8	Very high	71 Å²	71	64 Å²	64	44%	0.436	34%	0.337	S	S	.	.			trans	-76.1	165.4	169.4	71.3	0	0	0	0	110.6	D83 E84 I85	T81-D83 VanDerWaalsContact C-N 3.29Å; T81-D83 PolarHBondContact O-N 3.45Å; T81-E84 PolarHBondContact N-OE2 2.81Å; T81-E84 PolarHBondContact O-N 2.84Å; T81-E84 VanDerWaalsContact OG1-CG 3.32Å; T81-E84 WeakPolarHBondContact OG1-CG 3.26Å; T81-E84 PolarHBondContact OG1-N 3.4Å; T81-I85 WeakPolarHBondContact O-CG1 3.26Å; T81-I85 PolarHBondContact O-N 2.91Å
82	A	88.8	Confident	89.3	Confident	63 Å²	63	57.4 Å²	57.4	52%	0.521	31%	0.313	S	S	.	.	H	α-helix	trans	-58.8	-43	176.1	0	0	0	0	0	111.6	E84 I85 E86	A82-E84 VanDerWaalsContact C-N 3.33Å; A82-E84 PolarHBondContact O-N 3.38Å; A82-I85 WeakPolarHBondContact O-CB 3.08Å; A82-I85 PolarHBondContact O-N 3.44Å; A82-E86 PolarHBondContact O-N 3.2Å
83	D	91.3	Very high	87.8	Confident	123 Å²	123	56.5 Å²	56.5	66%	0.658	31%	0.307	S	S	*	.	H	α-helix	trans	-61.7	-39.4	176.8	-50.1	-90.9	0	0	0	112.3	T81 E86 F87	T81-D83 VanDerWaalsContact C-N 3.29Å; T81-D83 PolarHBondContact O-N 3.45Å; D83-E86 PolarHBondContact O-N 3.38Å; D83-F87 WeakPolarHBondContact O-CB 3.26Å; D83-F87 PolarHBondContact O-N 3.48Å
84	E	93.1	Very high	86.1	Confident	14 Å²	14	58.8 Å²	58.8	7%	0.065	32%	0.319	C	S	.	.	H	α-helix	trans	-67.5	-37.5	176.9	-72.4	-179.4	130.3	0	0	112	M49 R71 K73 F80 T81 A82 F87 V88	M49-E84 HydrophobicContact CE-CB 3.56Å; M49-E84 HydrophobicContact CE-CG 3.6Å; R71-E84 IonicContact CZ-OE1 3.97Å; R71-E84 IonicContact NE-OE1 3.69Å; R71-E84 IonicContact NH2-OE1 2.71Å; R71-E84 PolarHBondContact NH2-OE1 2.89Å; K73-E84 VanDerWaalsContact CE-OE1 3.25Å; K73-E84 WeakPolarHBondContact CE-OE1 3.49Å; K73-E84 IonicContact NZ-OE1 3.68Å; K73-E84 PolarHBondContact NZ-OE1 3.48Å; K73-E84 IonicContact NZ-OE2 2.76Å; K73-E84 PolarHBondContact NZ-OE2 3.24Å; F80-E84 WeakPolarHBondContact CA-OE2 3.32Å; F80-E84 HydrophobicContact CB-CB 4.45Å; F80-E84 HydrophobicContact CD1-CB 4.18Å; T81-E84 PolarHBondContact N-OE2 2.81Å; T81-E84 PolarHBondContact O-N 2.84Å; T81-E84 VanDerWaalsContact OG1-CG 3.32Å; T81-E84 WeakPolarHBondContact OG1-CG 3.26Å; T81-E84 PolarHBondContact OG1-N 3.4Å; A82-E84 VanDerWaalsContact C-N 3.33Å; A82-E84 PolarHBondContact O-N 3.38Å; E84-F87 PolarHBondContact O-N 3.24Å; E84-V88 VanDerWaalsContact O-CG2 3.3Å; E84-V88 WeakPolarHBondContact O-CG2 3.35Å; E84-V88 PolarHBondContact O-N 3.28Å
85	I	92	Very high	84	Confident	7 Å²	7	60.3 Å²	60.3	4%	0.036	33%	0.327	C	S	.	.	H	α-helix	trans	-64.6	-44.6	174.3	-67.2	-58.6	0	0	0	110.8	N20 I23 L24 F80 T81 A82 F87 V88 K89	N20-I85 HydrophobicContact CB-CD1 3.89Å; N20-I85 HydrophobicContact CB-CG1 3.87Å; I23-I85 HydrophobicContact CB-CG2 4.38Å; I23-I85 HydrophobicContact CD1-CG2 4.13Å; I23-I85 HydrophobicContact CG2-CG2 3.68Å; L24-I85 HydrophobicContact CD1-CD1 3.81Å; L24-I85 HydrophobicContact CD2-CD1 3.52Å; L24-I85 HydrophobicContact CG-CD1 3.5Å; F80-I85 HydrophobicContact CB-CD1 3.59Å; F80-I85 HydrophobicContact CB-CG1 3.91Å; F80-I85 HydrophobicContact CD1-CD1 4.29Å; F80-I85 HydrophobicContact CG-CD1 4.02Å; T81-I85 WeakPolarHBondContact O-CG1 3.26Å; T81-I85 PolarHBondContact O-N 2.91Å; A82-I85 WeakPolarHBondContact O-CB 3.08Å; A82-I85 PolarHBondContact O-N 3.44Å; I85-F87 VanDerWaalsContact C-N 3.33Å; I85-V88 PolarHBondContact O-N 3.48Å; I85-K89 HydrophobicContact CG2-CD 4.44Å; I85-K89 WeakPolarHBondContact O-CG 3.48Å; I85-K89 PolarHBondContact O-N 3.14Å
86	E	90.9	Very high	82	Confident	140 Å²	140	61.9 Å²	61.9	65%	0.654	35%	0.347	S	S	*	.	H	α-helix	trans	-61.8	-43.4	175.7	-170.4	176.7	88.5	0	0	111.4	A82 D83 V88 K89 S90	A82-E86 PolarHBondContact O-N 3.2Å; D83-E86 PolarHBondContact O-N 3.38Å; E86-V88 PolarHBondContact O-N 3.18Å; E86-K89 PolarHBondContact O-N 3.39Å; E86-S90 WeakPolarHBondContact O-CB 3.4Å; E86-S90 PolarHBondContact O-N 2.8Å; E86-S90 PolarHBondContact O-OG 2.92Å
87	F	89.2	Confident	79.9	Confident	58 Å²	58	60.2 Å²	60.2	25%	0.254	34%	0.335	S	S	.	.	H	α-helix	trans	-56.6	-48.4	174.4	178.4	-101.9	0	0	0	111.8	M49 D83 E84 I85 K89 S90 R91	M49-F87 HydrophobicContact CE-CD1 3.9Å; M49-F87 VanDerWaalsContact O-CE1 3.27Å; M49-F87 WeakPolarHBondContact O-CE1 3.27Å; D83-F87 WeakPolarHBondContact O-CB 3.26Å; D83-F87 PolarHBondContact O-N 3.48Å; E84-F87 PolarHBondContact O-N 3.24Å; I85-F87 VanDerWaalsContact C-N 3.33Å; F87-K89 PolarHBondContact O-N 3.15Å; F87-S90 PolarHBondContact O-N 3.47Å; F87-S90 PolarHBondContact O-OG 2.88Å; F87-R91 HydrophobicContact CD2-CG 4.34Å; F87-R91 HydrophobicContact CE1-CG 4.4Å; F87-R91 HydrophobicContact CE2-CG 4.02Å; F87-R91 HydrophobicContact CZ-CG 4.05Å; F87-R91 WeakPolarHBondContact O-CB 3.35Å; F87-R91 WeakPolarHBondContact O-CG 3.3Å; F87-R91 PolarHBondContact O-N 3.2Å
88	V	89.8	Confident	77.5	Confident	0 Å²	0	58 Å²	58	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-63.3	-42.6	177.7	172.5	0	0	0	0	111.5	L24 I47 M49 F54 E84 I85 E86 S90 R91 G92	L24-V88 HydrophobicContact CD2-CB 4.31Å; L24-V88 HydrophobicContact CD2-CG1 3.91Å; L24-V88 HydrophobicContact CD2-CG2 4.48Å; I47-V88 HydrophobicContact CD1-CG1 4.07Å; I47-V88 HydrophobicContact CD1-CG2 4.19Å; I47-V88 HydrophobicContact CG2-CG2 3.8Å; M49-V88 HydrophobicContact CE-CG2 4.22Å; M49-V88 HydrophobicContact SD-CG2 4Å; F54-V88 HydrophobicContact CE2-CG1 4.08Å; F54-V88 HydrophobicContact CZ-CG1 3.87Å; E84-V88 VanDerWaalsContact O-CG2 3.3Å; E84-V88 WeakPolarHBondContact O-CG2 3.35Å; E84-V88 PolarHBondContact O-N 3.28Å; I85-V88 PolarHBondContact O-N 3.48Å; E86-V88 PolarHBondContact O-N 3.18Å; V88-S90 VanDerWaalsContact C-N 3.32Å; V88-S90 PolarHBondContact O-N 3.31Å; V88-R91 PolarHBondContact O-N 3.41Å; V88-G92 PolarHBondContact O-N 3.16Å
89	K	85.7	Confident	74.9	Confident	99 Å²	99	60.6 Å²	60.6	43%	0.43	34%	0.342	S	S	.	.	H	α-helix	trans	-62	-39.5	175.8	-74.6	-177.3	-177.7	-171.9	0	112.4	I23 Q27 I85 E86 F87 R91	I23-K89 HydrophobicContact CG2-CD 4.29Å; I23-K89 HydrophobicContact CG2-CG 4.19Å; Q27-K89 HydrophobicContact CG-CG 4.34Å; I85-K89 HydrophobicContact CG2-CD 4.44Å; I85-K89 WeakPolarHBondContact O-CG 3.48Å; I85-K89 PolarHBondContact O-N 3.14Å; E86-K89 PolarHBondContact O-N 3.39Å; F87-K89 PolarHBondContact O-N 3.15Å; K89-R91 VanDerWaalsContact C-N 3.29Å
90	S	83.2	Confident	72.7	Confident	70 Å²	70	58.8 Å²	58.8	49%	0.49	33%	0.331	S	S	.	.	H	α-helix	trans	-74.4	-21.3	-178.2	74.6	0	0	0	0	112.9	E86 F87 V88 V95	E86-S90 WeakPolarHBondContact O-CB 3.4Å; E86-S90 PolarHBondContact O-N 2.8Å; E86-S90 PolarHBondContact O-OG 2.92Å; F87-S90 PolarHBondContact O-N 3.47Å; F87-S90 PolarHBondContact O-OG 2.88Å; V88-S90 VanDerWaalsContact C-N 3.32Å; V88-S90 PolarHBondContact O-N 3.31Å; S90-V95 WeakPolarHBondContact O-CG2 3.45Å
91	R	78	Confident	69.9	Low	105 Å²	105	64.2 Å²	64.2	40%	0.396	37%	0.368	S	S	.	.	H	α-helix	trans	-104.6	-70.8	-178.1	-68.3	-84.5	-173.6	154.6	-5.3	110.6	I51 F87 V88 K89 E94 V95	I51-R91 VanDerWaalsContact O-CD 3.3Å; I51-R91 WeakPolarHBondContact O-CD 3.37Å; F87-R91 HydrophobicContact CD2-CG 4.34Å; F87-R91 HydrophobicContact CE1-CG 4.4Å; F87-R91 HydrophobicContact CE2-CG 4.02Å; F87-R91 HydrophobicContact CZ-CG 4.05Å; F87-R91 WeakPolarHBondContact O-CB 3.35Å; F87-R91 WeakPolarHBondContact O-CG 3.3Å; F87-R91 PolarHBondContact O-N 3.2Å; V88-R91 PolarHBondContact O-N 3.41Å; K89-R91 VanDerWaalsContact C-N 3.29Å; R91-E94 WeakPolarHBondContact O-CG 3.41Å; R91-V95 WeakPolarHBondContact O-CA 3.33Å; R91-V95 WeakPolarHBondContact O-CB 3.39Å; R91-V95 WeakPolarHBondContact O-CG2 3.13Å; R91-V95 PolarHBondContact O-N 2.96Å
92	G	63.5	Low	67.4	Low	2 Å²	2	66.1 Å²	66.1	2%	0.021	39%	0.385	C	S	.	.	H	α-helix	trans	45.9	-167.5	-163.6	0	0	0	0	0	113	G52 V88 E94	G52-G92 CarbonylContact O-C 3.52Å; G52-G92 WeakPolarHBondContact O-CA 3.3Å; G52-G92 PolarHBondContact O-N 2.84Å; V88-G92 PolarHBondContact O-N 3.16Å; G92-E94 PolarHBondContact O-N 3.38Å
93	N	64.6	Low	64.9	Low	6 Å²	6	69.7 Å²	69.7	3%	0.032	40%	0.395	C	S	.	.	H	α-helix	trans	-76.3	-8.9	163.9	-62.1	-10.9	0	0	0	111.2	C32 N33 Q35 S53 F54 G96 S97	C32-N93 HydrophobicContact CB-CB 4.29Å; C32-N93 WeakPolarHBondContact O-CB 3.42Å; C32-N93 PolarHBondContact O-ND2 2.13Å; N33-N93 WeakPolarHBondContact OD1-CA 3.48Å; N33-N93 WeakPolarHBondContact OD1-CB 3.47Å; N33-N93 VanDerWaalsContact OD1-CG 3.32Å; N33-N93 PolarHBondContact OD1-N 3.23Å; Q35-N93 PolarHBondContact O-ND2 3.47Å; S53-N93 WeakPolarHBondContact CA-OD1 3.28Å; S53-N93 WeakPolarHBondContact CB-OD1 3.45Å; F54-N93 PolarHBondContact N-OD1 3.18Å; N93-G96 CarbonylContact O-C 3.54Å; N93-S97 VanDerWaalsContact O-CB 3.26Å; N93-S97 WeakPolarHBondContact O-CB 3.3Å; N93-S97 PolarHBondContact O-N 3.47Å; N93-S97 PolarHBondContact O-OG 2.06Å
94	E	60.4	Low	62.1	Low	94 Å²	94	72.9 Å²	72.9	44%	0.439	40%	0.397	S	S	.	.	H	α-helix	trans	-73	-33.1	178.4	80.9	172.8	97.9	0	0	112.9	R91 G92 S97 I98	R91-E94 WeakPolarHBondContact O-CG 3.41Å; G92-E94 PolarHBondContact O-N 3.38Å; E94-S97 VanDerWaalsContact C-N 3.28Å; E94-S97 CarbonylContact O-C 3.55Å; E94-S97 WeakPolarHBondContact O-CA 3.14Å; E94-S97 VanDerWaalsContact O-CB 3.26Å; E94-S97 WeakPolarHBondContact O-CB 3.26Å; E94-S97 PolarHBondContact O-N 3.28Å; E94-I98 WeakPolarHBondContact O-CA 3.48Å; E94-I98 PolarHBondContact O-N 3.49Å
95	V	53.3	Low	59.5	Low	45 Å²	45	77.6 Å²	77.6	27%	0.273	43%	0.429	S	S	.	.	H	α-helix	trans	-84.9	-26.5	174.9	174.2	0	0	0	0	111.5	S90 R91 S97 I98	S90-V95 WeakPolarHBondContact O-CG2 3.45Å; R91-V95 WeakPolarHBondContact O-CA 3.33Å; R91-V95 WeakPolarHBondContact O-CB 3.39Å; R91-V95 WeakPolarHBondContact O-CG2 3.13Å; R91-V95 PolarHBondContact O-N 2.96Å; V95-S97 PolarHBondContact O-N 3Å; V95-I98 HydrophobicContact CB-CD1 4.15Å; V95-I98 HydrophobicContact CB-CG1 4.4Å; V95-I98 HydrophobicContact CG1-CD1 4.09Å; V95-I98 HydrophobicContact CG2-CD1 3.54Å; V95-I98 HydrophobicContact CG2-CG1 4.06Å; V95-I98 PolarHBondContact O-N 2.61Å
96	G	49.9	Very low	57.1	Low	49 Å²	49	81.8 Å²	81.8	51%	0.505	46%	0.455	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-20.6	154.2	0	0	0	0	0	112.5	N93	N93-G96 CarbonylContact O-C 3.54Å
97	S	44.7	Very low	55	Low	44 Å²	44	77.5 Å²	77.5	31%	0.308	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.8	6.1	176	-53.6	0	0	0	0	114.3	N93 E94 V95 S99 V100	N93-S97 VanDerWaalsContact O-CB 3.26Å; N93-S97 WeakPolarHBondContact O-CB 3.3Å; N93-S97 PolarHBondContact O-N 3.47Å; N93-S97 PolarHBondContact O-OG 2.06Å; E94-S97 VanDerWaalsContact C-N 3.28Å; E94-S97 CarbonylContact O-C 3.55Å; E94-S97 WeakPolarHBondContact O-CA 3.14Å; E94-S97 VanDerWaalsContact O-CB 3.26Å; E94-S97 WeakPolarHBondContact O-CB 3.26Å; E94-S97 PolarHBondContact O-N 3.28Å; V95-S97 PolarHBondContact O-N 3Å; S97-S99 PolarHBondContact O-N 3.07Å; S97-V100 PolarHBondContact O-N 2.83Å
98	I	40.9	Very low	53	Low	119 Å²	119	80.1 Å²	80.1	61%	0.61	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	110.7	-176.4	-103.5	178.7	0	0	0	105.3	E94 V95	E94-I98 WeakPolarHBondContact O-CA 3.48Å; E94-I98 PolarHBondContact O-N 3.49Å; V95-I98 HydrophobicContact CB-CD1 4.15Å; V95-I98 HydrophobicContact CB-CG1 4.4Å; V95-I98 HydrophobicContact CG1-CD1 4.09Å; V95-I98 HydrophobicContact CG2-CD1 3.54Å; V95-I98 HydrophobicContact CG2-CG1 4.06Å; V95-I98 PolarHBondContact O-N 2.61Å
99	S	37.6	Very low	51	Low	80 Å²	80	88.8 Å²	88.8	56%	0.559	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.4	46	-175.4	-170.4	0	0	0	0	116.5	S97	S97-S99 PolarHBondContact O-N 3.07Å
100	V	45.3	Very low	49.3	Very low	38 Å²	38	88.5 Å²	88.5	23%	0.23	49%	0.491	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.2	-8	152.5	-65.1	0	0	0	0	114.8	S97 S102 L103 R104	S97-V100 PolarHBondContact O-N 2.83Å; V100-S102 PolarHBondContact O-N 2.92Å; V100-L103 PolarHBondContact O-N 3.44Å; V100-R104 HydrophobicContact CB-CB 3.65Å; V100-R104 HydrophobicContact CB-CG 4.17Å; V100-R104 HydrophobicContact CG1-CB 3.58Å; V100-R104 HydrophobicContact CG1-CG 3.52Å; V100-R104 HydrophobicContact CG2-CB 4.46Å; V100-R104 CarbonylContact O-C 2.87Å; V100-R104 PolarHBondContact O-N 3.25Å
101	C	33.4	Very low	47.8	Very low	121 Å²	121	89.3 Å²	89.3	82%	0.818	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-12.8	165.1	-135.5	0	0	0	0	112.8
102	S	39.4	Very low	46.6	Very low	112 Å²	112	89.3 Å²	89.3	78%	0.783	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.2	-8.3	165.6	-57.4	0	0	0	0	115.7	V100	V100-S102 PolarHBondContact O-N 2.92Å
103	L	37.3	Very low	46	Very low	138 Å²	138	97.4 Å²	97.4	72%	0.723	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-138.2	-14.5	-170.9	-71.3	176.5	0	0	0	117.8	V100	V100-L103 PolarHBondContact O-N 3.44Å
104	R	31.8	Very low	45.6	Very low	189 Å²	189	101.5 Å²	101.5	71%	0.713	58%	0.576	S	S	*	*	S	Bend	trans	-130.9	118.5	164.5	-57.9	-174.9	-156.3	-137.4	6	108.2	V100 V106	V100-R104 HydrophobicContact CB-CB 3.65Å; V100-R104 HydrophobicContact CB-CG 4.17Å; V100-R104 HydrophobicContact CG1-CB 3.58Å; V100-R104 HydrophobicContact CG1-CG 3.52Å; V100-R104 HydrophobicContact CG2-CB 4.46Å; V100-R104 CarbonylContact O-C 2.87Å; V100-R104 PolarHBondContact O-N 3.25Å; R104-V106 PolarHBondContact O-N 3.27Å; R104-V106 VanDerWaalsContact O-N 3.1Å
105	P	37.6	Very low	45.8	Very low	113 Å²	113	99.8 Å²	99.8	73%	0.734	57%	0.574	S	S	*	*	P	Polyproline II helix	trans	-49	125.8	174.6	-22.6	30.8	0	0	0	108.4	P107	P105-P107 WeakPolarHBondContact O-CD 3.11Å
106	V	43.3	Very low	46.2	Very low	96 Å²	96	98 Å²	98	58%	0.582	56%	0.564	S	S	*	*	P	Polyproline II helix	trans	-46	116.2	155.1	-176.2	0	0	0	0	103.8	Y40 R104 P108	Y40-V106 HydrophobicContact CE1-CG1 4.2Å; R104-V106 PolarHBondContact O-N 3.27Å; R104-V106 VanDerWaalsContact O-N 3.1Å; V106-P108 VanDerWaalsContact O-N 3.16Å
107	P	45.6	Very low	46.9	Very low	50 Å²	50	100.3 Å²	100.3	33%	0.325	56%	0.564	S	S	.	*	P	Polyproline II helix	trans	-53	133.6	-175.9	19.8	-30.6	0	0	0	106.5	Y40 P105 R109	Y40-P107 HydrophobicContact CE1-CG 4.1Å; Y40-P107 HydrophobicContact CE2-CG 3.76Å; Y40-P107 VanDerWaalsContact OH-CD 3.29Å; Y40-P107 WeakPolarHBondContact OH-CD 3.47Å; Y40-P107 WeakPolarHBondContact OH-CG 3.46Å; P105-P107 WeakPolarHBondContact O-CD 3.11Å; P107-R109 PolarHBondContact O-N 3Å
108	P	46.8	Very low	47.9	Very low	112 Å²	112	101.6 Å²	101.6	73%	0.727	57%	0.573	S	S	*	*	P	Polyproline II helix	trans	-46.7	134.5	-172.5	17.2	-30.8	0	0	0	108.4	V106 R110	V106-P108 VanDerWaalsContact O-N 3.16Å; P108-R110 PolarHBondContact O-N 3.01Å
109	R	49	Very low	48.9	Very low	183 Å²	183	97.4 Å²	97.4	69%	0.691	55%	0.552	S	S	*	*			trans	-44.3	108	-179.2	-64.9	-160.6	-159.4	-89.4	4.5	107.1	P107	P107-R109 PolarHBondContact O-N 3Å
110	R	49.3	Very low	50.1	Low	92 Å²	92	93.9 Å²	93.9	35%	0.347	53%	0.527	S	S	.	.			trans	-58.8	143.1	-177.9	-85.4	-179.3	-83.5	-148.2	-4.7	107.7	D38 Y40 P108 A112	D38-R110 PolarHBondContact O-NH2 2.94Å; Y40-R110 VanDerWaalsContact CD2-NH2 3.25Å; Y40-R110 VanDerWaalsContact CE2-NH2 3.31Å; P108-R110 PolarHBondContact O-N 3.01Å; R110-A112 PolarHBondContact O-N 3.4Å
111	P	52.3	Low	51.2	Low	88 Å²	88	100.5 Å²	100.5	57%	0.571	55%	0.548	S	S	*	.			trans	-51.2	135.6	175.7	20.2	-30.1	0	0	0	108.2	E113 L114	P111-E113 PolarHBondContact O-N 2.98Å; P111-L114 HydrophobicContact CG-CD1 4.15Å; P111-L114 PolarHBondContact O-N 3.1Å
112	A	53.3	Low	52.9	Low	105 Å²	105	97.5 Å²	97.5	87%	0.868	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	-15.3	-177	0	0	0	0	0	113.4	R110	R110-A112 PolarHBondContact O-N 3.4Å
113	E	51.2	Low	54.1	Low	172 Å²	172	97.6 Å²	97.6	80%	0.804	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-22.9	177.9	-64.5	-66	93	0	0	114.8	P111 S115	P111-E113 PolarHBondContact O-N 2.98Å; E113-S115 PolarHBondContact O-N 3.39Å; E113-S115 VanDerWaalsContact O-N 3.11Å
114	L	56.1	Low	55.5	Low	92 Å²	92	93.5 Å²	93.5	48%	0.482	50%	0.497	S	S	.	.	S	Bend	trans	-79.9	98.6	173.8	-92.3	82.9	0	0	0	110.3	P111 L119	P111-L114 HydrophobicContact CG-CD1 4.15Å; P111-L114 PolarHBondContact O-N 3.1Å; L114-L119 HydrophobicContact CD2-CD1 4.1Å
115	S	62.9	Low	57.1	Low	58 Å²	58	89.8 Å²	89.8	41%	0.406	49%	0.491	S	S	.	.			trans	-52.5	140.1	174.9	-177.6	0	0	0	0	112.6	E113 N117 S118 L119	E113-S115 PolarHBondContact O-N 3.39Å; E113-S115 VanDerWaalsContact O-N 3.11Å; S115-N117 PolarHBondContact O-N 2.98Å; S115-N117 PolarHBondContact OG-N 2.71Å; S115-S118 PolarHBondContact O-N 3.26Å; S115-L119 PolarHBondContact O-N 3.24Å
116	C	62	Low	58.5	Low	8 Å²	8	89 Å²	89	5%	0.054	49%	0.487	C	S	.	.	H	α-helix	trans	-46.6	-35.9	171.6	-178	0	0	0	0	109.7	C39 C56 S58 C120	C39-C116 HydrophobicContact CB-CB 4.33Å; C39-C116 PolarHBondContact SG-SG 3.19Å; C56-C116 WeakPolarHBondContact CB-SG 3.46Å; C56-C116 WeakPolarHBondContact SG-CB 3.49Å; C56-C116 CovalentContact SG-SG 2.13Å; C56-C116 PolarHBondContact SG-SG 2.82Å; S58-C116 VanDerWaalsContact CB-SG 3.56Å; C116-C120 WeakPolarHBondContact O-CB 3.36Å; C116-C120 PolarHBondContact O-N 3.08Å; C116-C120 PolarHBondContact O-SG 3.24Å; C116-C120 PolarHBondContact SG-SG 3.08Å
117	N	65.7	Low	59.3	Low	96 Å²	96	86.9 Å²	86.9	51%	0.513	48%	0.48	S	S	.	.	H	α-helix	trans	-59.4	-51.9	176.2	-88.6	-60.3	0	0	0	114.4	S115 L119 R121	S115-N117 PolarHBondContact O-N 2.98Å; S115-N117 PolarHBondContact OG-N 2.71Å; N117-L119 PolarHBondContact O-N 3.46Å; N117-R121 WeakPolarHBondContact O-CB 3.12Å; N117-R121 WeakPolarHBondContact O-CG 3.4Å; N117-R121 PolarHBondContact O-N 3.48Å
118	S	65.1	Low	59.7	Low	72 Å²	72	89.7 Å²	89.7	50%	0.503	49%	0.492	S	S	.	.	H	α-helix	trans	-61.7	-39	-174.9	-51.9	0	0	0	0	111.2	S115 A122	S115-S118 PolarHBondContact O-N 3.26Å; S118-A122 PolarHBondContact O-N 2.94Å
119	L	62.1	Low	60.1	Low	31 Å²	31	90.2 Å²	90.2	16%	0.162	50%	0.495	C	S	.	.	H	α-helix	trans	-81.3	-46.9	-174.8	-157.4	88.5	0	0	0	113.5	D38 C39 L114 S115 N117 R121 A122 K123	D38-L119 WeakPolarHBondContact O-CD2 2.98Å; C39-L119 HydrophobicContact CB-CD2 3.96Å; L114-L119 HydrophobicContact CD2-CD1 4.1Å; S115-L119 PolarHBondContact O-N 3.24Å; N117-L119 PolarHBondContact O-N 3.46Å; L119-R121 PolarHBondContact O-N 2.77Å; L119-A122 PolarHBondContact O-N 3.24Å; L119-K123 PolarHBondContact O-N 3.39Å; L119-K123 VanDerWaalsContact O-N 3.08Å
120	C	63.6	Low	60.4	Low	5 Å²	5	84.6 Å²	84.6	3%	0.034	50%	0.495	C	S	.	.	H	α-helix	trans	-57.5	-42.5	174.9	-60.7	0	0	0	0	107.2	C59 L62 C116 A122 K123 L124	C59-C120 HydrophobicContact CB-CB 4.45Å; C59-C120 WeakPolarHBondContact CB-SG 3.45Å; C59-C120 WeakPolarHBondContact SG-CB 3.2Å; C59-C120 CovalentContact SG-SG 2.06Å; C59-C120 PolarHBondContact SG-SG 2.78Å; L62-C120 VanDerWaalsContact CD1-CA 3.44Å; L62-C120 HydrophobicContact CD1-CB 3.16Å; L62-C120 WeakPolarHBondContact CD1-O 3.29Å; L62-C120 HydrophobicContact CG-CB 4.01Å; C116-C120 WeakPolarHBondContact O-CB 3.36Å; C116-C120 PolarHBondContact O-N 3.08Å; C116-C120 PolarHBondContact O-SG 3.24Å; C116-C120 PolarHBondContact SG-SG 3.08Å; C120-A122 PolarHBondContact O-N 3.35Å; C120-K123 PolarHBondContact O-N 3.25Å; C120-L124 PolarHBondContact O-N 3.08Å
121	R	67.7	Low	60.4	Low	178 Å²	178	91.1 Å²	91.1	67%	0.672	52%	0.519	S	S	*	.	H	α-helix	trans	-61.4	-44.2	175.4	-75.6	177.3	76	177	4.7	114	N117 L119 K123 L124 L125	N117-R121 WeakPolarHBondContact O-CB 3.12Å; N117-R121 WeakPolarHBondContact O-CG 3.4Å; N117-R121 PolarHBondContact O-N 3.48Å; L119-R121 PolarHBondContact O-N 2.77Å; R121-K123 PolarHBondContact O-N 3Å; R121-L124 PolarHBondContact O-N 3.35Å; R121-L125 PolarHBondContact O-N 3.5Å
122	A	68.5	Low	60.3	Low	58 Å²	58	97.1 Å²	97.1	48%	0.479	53%	0.53	S	S	.	.	H	α-helix	trans	-58.7	-39.6	177.2	0	0	0	0	0	111.4	S118 L119 C120 L125 S126	S118-A122 PolarHBondContact O-N 2.94Å; L119-A122 PolarHBondContact O-N 3.24Å; C120-A122 PolarHBondContact O-N 3.35Å; A122-L125 PolarHBondContact O-N 3.21Å; A122-S126 PolarHBondContact O-N 3.27Å; A122-S126 VanDerWaalsContact O-N 3.08Å; A122-S126 PolarHBondContact O-OG 3.3Å
123	K	65.7	Low	60.3	Low	114 Å²	114	97.5 Å²	97.5	50%	0.496	53%	0.527	S	S	.	.	H	α-helix	trans	-69.3	-40.5	177.7	-147.6	173.7	-172.1	-153.8	0	112.4	D38 L119 C120 R121 L125 S126 A127	D38-K123 IonicContact OD1-NZ 2.68Å; D38-K123 PolarHBondContact OD1-NZ 3.25Å; L119-K123 PolarHBondContact O-N 3.39Å; L119-K123 VanDerWaalsContact O-N 3.08Å; C120-K123 PolarHBondContact O-N 3.25Å; R121-K123 PolarHBondContact O-N 3Å; K123-L125 VanDerWaalsContact C-N 3.34Å; K123-L125 PolarHBondContact O-N 3.34Å; K123-S126 WeakPolarHBondContact CA-OG 2.9Å; K123-S126 PolarHBondContact O-N 3.06Å; K123-S126 PolarHBondContact O-OG 3.45Å; K123-A127 WeakPolarHBondContact O-CB 3.13Å; K123-A127 PolarHBondContact O-N 2.99Å
124	L	65.1	Low	60.4	Low	52 Å²	52	98.3 Å²	98.3	27%	0.272	53%	0.528	S	S	.	.	H	α-helix	trans	-59.9	-44.6	172.6	-174.1	70.9	0	0	0	111.4	L62 L66 C120 R121 S126 A127 L128	L62-L124 HydrophobicContact CD1-CB 4.17Å; L62-L124 HydrophobicContact CD2-CD2 4.16Å; L66-L124 HydrophobicContact CD2-CD1 4.24Å; C120-L124 PolarHBondContact O-N 3.08Å; R121-L124 PolarHBondContact O-N 3.35Å; L124-S126 VanDerWaalsContact C-N 3.27Å; L124-S126 PolarHBondContact O-N 2.95Å; L124-A127 PolarHBondContact O-N 3.11Å; L124-A127 VanDerWaalsContact O-N 3.08Å; L124-L128 PolarHBondContact O-N 3.07Å
125	L	67	Low	60.5	Low	111 Å²	111	104.3 Å²	104.3	58%	0.581	56%	0.56	S	S	*	*	H	α-helix	trans	-61.5	-36.8	178.1	-174.3	62.8	0	0	0	111.9	R121 A122 K123	R121-L125 PolarHBondContact O-N 3.5Å; A122-L125 PolarHBondContact O-N 3.21Å; K123-L125 VanDerWaalsContact C-N 3.34Å; K123-L125 PolarHBondContact O-N 3.34Å
126	S	65.9	Low	60.4	Low	95 Å²	95	106.6 Å²	106.6	66%	0.664	57%	0.568	S	S	*	*	H	α-helix	trans	-74.5	-22.5	175	65.5	0	0	0	0	114.4	A122 K123 L124	A122-S126 PolarHBondContact O-N 3.27Å; A122-S126 VanDerWaalsContact O-N 3.08Å; A122-S126 PolarHBondContact O-OG 3.3Å; K123-S126 WeakPolarHBondContact CA-OG 2.9Å; K123-S126 PolarHBondContact O-N 3.06Å; K123-S126 PolarHBondContact O-OG 3.45Å; L124-S126 VanDerWaalsContact C-N 3.27Å; L124-S126 PolarHBondContact O-N 2.95Å
127	A	61.1	Low	60.3	Low	52 Å²	52	111.8 Å²	111.8	43%	0.43	60%	0.595	S	S	.	*	H	α-helix	trans	-89.3	-12.1	-177.7	0	0	0	0	0	113.5	L66 K123 L124 P129	L66-A127 HydrophobicContact CD2-CB 3.92Å; K123-A127 WeakPolarHBondContact O-CB 3.13Å; K123-A127 PolarHBondContact O-N 2.99Å; L124-A127 PolarHBondContact O-N 3.11Å; L124-A127 VanDerWaalsContact O-N 3.08Å; A127-P129 WeakPolarHBondContact O-CD 3.2Å
128	L	52.8	Low	60	Low	109 Å²	109	112.7 Å²	112.7	57%	0.571	60%	0.6	S	S	*	*	S	Bend	trans	-71.9	111	176.1	-71.4	170.2	0	0	0	109.8	L124 G130	L124-L128 PolarHBondContact O-N 3.07Å; L128-G130 PolarHBondContact O-N 2.84Å
129	P	54.9	Low	59.7	Low	123 Å²	123	115.1 Å²	115.1	80%	0.799	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.1	130.3	172.8	28.4	-32.5	0	0	0	109.2	A127	A127-P129 WeakPolarHBondContact O-CD 3.2Å
130	G	56.2	Low	59.6	Low	66 Å²	66	120.3 Å²	120.3	68%	0.68	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	80.5	49.8	164.5	0	0	0	0	0	115.7	L128 R132	L128-G130 PolarHBondContact O-N 2.84Å; G130-R132 PolarHBondContact O-N 3.09Å
131	R	49.2	Very low	59.3	Low	228 Å²	228	128 Å²	128	86%	0.86	67%	0.673	S	S	*	*			trans	-64.6	82.1	152.9	-159.6	175.7	-161.1	-146.4	2.3	107.9	S133	R131-S133 PolarHBondContact O-N 2.71Å; R131-S133 VanDerWaalsContact O-N 3.09Å
132	R	50.1	Low	58.7	Low	214 Å²	214	124.4 Å²	124.4	81%	0.808	67%	0.673	S	S	*	*			trans	-48.3	115.5	164.9	-77.3	179.3	174.8	179.6	-2.2	106	G130 F134	G130-R132 PolarHBondContact O-N 3.09Å; R132-F134 VanDerWaalsContact C-N 3.3Å; R132-F134 PolarHBondContact O-N 3.24Å
133	S	52.9	Low	57.9	Low	113 Å²	113	129.5 Å²	129.5	79%	0.79	69%	0.688	S	S	*	*			trans	-59.7	101.9	161.4	-163.4	0	0	0	0	105.5	R131 N135	R131-S133 PolarHBondContact O-N 2.71Å; R131-S133 VanDerWaalsContact O-N 3.09Å; S133-N135 PolarHBondContact O-N 2.96Å
134	F	54.4	Low	57.3	Low	189 Å²	189	130.8 Å²	130.8	83%	0.829	70%	0.704	S	S	*	*			trans	-69.9	111	162.4	-112.9	-94.8	0	0	0	105.2	R132	R132-F134 VanDerWaalsContact C-N 3.3Å; R132-F134 PolarHBondContact O-N 3.24Å
135	N	58	Low	56.6	Low	218 Å²	218	138 Å²	138	100%	1.166	74%	0.743	S	S	*	*			trans	-76.8	0	159.1	-156.1	-105.1	0	0	0	107.7	S133	S133-N135 PolarHBondContact O-N 2.96Å

Retrieved 135 of 135 residues in 237.8 ms (Link to these results)

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