A0A5K4F6L5_SCHMA Loading...

Transcriptional regulator

AlphaFold DB , UniProt , Accession A0A5K4F6L5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 96 aa.

						>A0A5K4F6L5_SCHMA|A0A5K4F6L5
MEKTNRSDGVQFSNVTLAQVRHTIERIAPSTAVTLNVRPKSGRPITTQQQQYTLSIDIESSLEWLFRINPSDSPLQSISLNQLTTRLEGCNLFFGN
					

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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	45	Very low	44.7	Very low	243 Å²	243	150.3 Å²	150.3	100%	1.197	79%	0.785	S	S	*	*				0	91.3	0	-150.5	166.7	-178.2	0	0	106.4	K3	M1-K3 PolarHBondContact O-N 3.32Å
2	E	39.8	Very low	45.9	Very low	178 Å²	178	152.8 Å²	152.8	83%	0.832	79%	0.786	S	S	*	*			trans	-76.8	106.9	-173.4	-162.1	172.3	116.3	0	0	108.3	T4	E2-T4 PolarHBondContact O-N 2.98Å
3	K	38.9	Very low	48.7	Very low	201 Å²	201	144.2 Å²	144.2	87%	0.874	75%	0.747	S	S	*	*			trans	-81.1	93.5	169.2	-78.4	-175.5	177.6	-178.7	0	106.9	M1 N5	M1-K3 PolarHBondContact O-N 3.32Å; K3-N5 VanDerWaalsContact C-N 3.29Å; K3-N5 PolarHBondContact O-N 3.15Å
4	T	41.9	Very low	51.7	Low	107 Å²	107	141.4 Å²	141.4	66%	0.656	73%	0.734	S	S	*	*			trans	-59.9	95.2	167.3	-34.7	0	0	0	0	107.5	E2 R6	E2-T4 PolarHBondContact O-N 2.98Å; T4-R6 HydrophobicContact CG2-CG 4.47Å; T4-R6 PolarHBondContact O-N 2.75Å
5	N	42.4	Very low	54.4	Low	130 Å²	130	133.3 Å²	133.3	70%	0.695	69%	0.693	S	S	*	*			trans	-74.8	80.3	172.3	-165.2	-12.9	0	0	0	107.5	K3 S7	K3-N5 VanDerWaalsContact C-N 3.29Å; K3-N5 PolarHBondContact O-N 3.15Å; N5-S7 PolarHBondContact O-N 2.97Å; N5-S7 PolarHBondContact OD1-N 3.24Å; N5-S7 VanDerWaalsContact OD1-N 3.09Å; N5-S7 PolarHBondContact OD1-OG 3.45Å
6	R	40.1	Very low	56.8	Low	224 Å²	224	128 Å²	128	85%	0.845	67%	0.668	S	S	*	*			trans	-68.5	69.9	155.3	-76.8	-177.1	176.1	-177.5	-1.4	107.1	T4 D8	T4-R6 HydrophobicContact CG2-CG 4.47Å; T4-R6 PolarHBondContact O-N 2.75Å; R6-D8 VanDerWaalsContact C-N 3.35Å; R6-D8 PolarHBondContact O-N 3.12Å
7	S	49	Very low	58.6	Low	86 Å²	86	122.1 Å²	122.1	60%	0.601	64%	0.638	S	S	*	*			trans	-72	107.6	149.3	-68.4	0	0	0	0	103.4	N5 G9	N5-S7 PolarHBondContact O-N 2.97Å; N5-S7 PolarHBondContact OD1-N 3.24Å; N5-S7 VanDerWaalsContact OD1-N 3.09Å; N5-S7 PolarHBondContact OD1-OG 3.45Å; S7-G9 PolarHBondContact O-N 2.84Å
8	D	47.6	Very low	60.3	Low	148 Å²	148	119.2 Å²	119.2	79%	0.791	63%	0.634	S	S	*	*			trans	-29.2	110.8	170.8	-85.5	-70	0	0	0	109.9	R6 V10	R6-D8 VanDerWaalsContact C-N 3.35Å; R6-D8 PolarHBondContact O-N 3.12Å; D8-V10 HydrophobicContact CB-CG2 4.45Å; D8-V10 PolarHBondContact O-N 3.26Å
9	G	42.9	Very low	61.8	Low	76 Å²	76	118.2 Å²	118.2	78%	0.784	63%	0.625	S	S	*	*			trans	-68.5	64.7	171.9	0	0	0	0	0	108.7	S7 Q11	S7-G9 PolarHBondContact O-N 2.84Å; G9-Q11 PolarHBondContact O-N 2.77Å
10	V	51.9	Low	63.1	Low	106 Å²	106	113.2 Å²	113.2	64%	0.642	60%	0.599	S	S	*	*			trans	-65.5	83.6	149.8	-173.8	0	0	0	0	102.9	D8 F12	D8-V10 HydrophobicContact CB-CG2 4.45Å; D8-V10 PolarHBondContact O-N 3.26Å; V10-F12 VanDerWaalsContact C-N 3.33Å; V10-F12 PolarHBondContact O-N 3.02Å
11	Q	52.4	Low	64.1	Low	154 Å²	154	112.5 Å²	112.5	72%	0.72	59%	0.589	S	S	*	*			trans	-48.2	109	172	-166.8	176.2	6.7	0	0	104.3	G9 S13	G9-Q11 PolarHBondContact O-N 2.77Å; Q11-S13 PolarHBondContact O-N 3.03Å; Q11-S13 PolarHBondContact O-OG 2.89Å
12	F	58.6	Low	65.9	Low	181 Å²	181	105.1 Å²	105.1	79%	0.794	55%	0.551	S	S	*	*			trans	-64.7	73.5	176	-66.8	-82.9	0	0	0	106.3	V10 N14	V10-F12 VanDerWaalsContact C-N 3.33Å; V10-F12 PolarHBondContact O-N 3.02Å; F12-N14 PolarHBondContact O-N 2.87Å
13	S	83	Confident	68	Low	40 Å²	40	100.3 Å²	100.3	28%	0.28	53%	0.534	S	S	.	.			trans	-79.3	119.1	-174.2	-57.5	0	0	0	0	104.2	Q11 L80	Q11-S13 PolarHBondContact O-N 3.03Å; Q11-S13 PolarHBondContact O-OG 2.89Å; S13-L80 WeakPolarHBondContact O-CG 3.42Å; S13-L80 PolarHBondContact O-N 3.43Å; S13-L80 VanDerWaalsContact O-N 3.13Å
14	N	90.7	Very high	70	Confident	105 Å²	105	93.3 Å²	93.3	56%	0.561	51%	0.506	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.8	136.7	165.7	-64.4	-34.8	0	0	0	107.2	F12 S77 I78	F12-N14 PolarHBondContact O-N 2.87Å; N14-S77 VanDerWaalsContact CB-OG 3.31Å; N14-S77 WeakPolarHBondContact CB-OG 3.23Å; N14-I78 CarbonylContact C-O 3.55Å; N14-I78 VanDerWaalsContact CA-O 3.3Å; N14-I78 WeakPolarHBondContact CA-O 3.21Å
15	V	91.3	Very high	71.7	Confident	21 Å²	21	92.8 Å²	92.8	13%	0.127	50%	0.496	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	141	173.2	-71.6	0	0	0	0	109	V20 S77 I78 L80 L83	V15-V20 HydrophobicContact CB-CG2 4.23Å; V15-V20 HydrophobicContact CG2-CG2 4.13Å; V15-S77 VanDerWaalsContact C-OG 3.25Å; V15-S77 WeakPolarHBondContact O-CA 3.5Å; V15-S77 WeakPolarHBondContact O-CB 3.5Å; V15-S77 PolarHBondContact O-OG 3.21Å; V15-I78 HydrophobicContact CG2-CG1 4.22Å; V15-I78 PolarHBondContact N-O 3.21Å; V15-I78 PolarHBondContact O-N 2.72Å; V15-L80 HydrophobicContact CB-CD2 4.43Å; V15-L80 HydrophobicContact CG1-CD2 3.43Å; V15-L80 VanDerWaalsContact CG1-CD2 3.43Å; V15-L80 HydrophobicContact CG1-CG 3.89Å; V15-L80 HydrophobicContact CG2-CD2 4.12Å; V15-L83 HydrophobicContact CG2-CD2 3.93Å
16	T	92.6	Very high	73.4	Confident	48 Å²	48	95.5 Å²	95.5	29%	0.294	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	157.2	174.5	68.4	0	0	0	0	110.7	A18 Q19 V20 Q76	T16-A18 PolarHBondContact O-N 2.92Å; T16-Q19 WeakPolarHBondContact O-CB 3.07Å; T16-Q19 PolarHBondContact O-N 3.42Å; T16-Q19 VanDerWaalsContact O-N 3.08Å; T16-Q19 VanDerWaalsContact OG1-CG 3.31Å; T16-Q19 WeakPolarHBondContact OG1-CG 3.29Å; T16-Q19 PolarHBondContact OG1-N 3.24Å; T16-Q19 PolarHBondContact OG1-OE1 3.24Å; T16-V20 PolarHBondContact O-N 3.49Å; T16-Q76 WeakPolarHBondContact CA-O 3.35Å; T16-Q76 WeakPolarHBondContact CB-O 3.49Å
17	L	88.6	Confident	75	Confident	28 Å²	28	91.1 Å²	91.1	15%	0.147	49%	0.488	C	S	.	.	H	α-helix	trans	-54	-43.3	174.7	179.4	63	0	0	0	111.3	Q19 V20 R21 L62 E63 F66 Q76	L17-Q19 PolarHBondContact O-N 3.18Å; L17-V20 PolarHBondContact O-N 2.83Å; L17-R21 WeakPolarHBondContact O-CB 3.44Å; L17-R21 PolarHBondContact O-N 2.7Å; L17-L62 HydrophobicContact CD1-CB 3.76Å; L17-E63 HydrophobicContact CD2-CG 4.13Å; L17-F66 HydrophobicContact CB-CD1 4.21Å; L17-F66 HydrophobicContact CB-CD2 4.47Å; L17-F66 HydrophobicContact CB-CE1 4.1Å; L17-F66 HydrophobicContact CB-CE2 4.38Å; L17-F66 HydrophobicContact CB-CG 4.39Å; L17-F66 HydrophobicContact CB-CZ 4.2Å; L17-F66 HydrophobicContact CD1-CD2 3.76Å; L17-F66 HydrophobicContact CD1-CE2 3.9Å; L17-F66 HydrophobicContact CD1-CG 4.28Å; L17-F66 VanDerWaalsContact N-CE1 3.28Å; L17-Q76 PolarHBondContact N-O 3.24Å
18	A	88.2	Confident	75.9	Confident	69 Å²	69	88.5 Å²	88.5	57%	0.57	47%	0.472	S	S	*	.	H	α-helix	trans	-61.8	-39.3	177.2	0	0	0	0	0	113.1	T16 H22	T16-A18 PolarHBondContact O-N 2.92Å; A18-H22 VanDerWaalsContact O-CB 3.29Å; A18-H22 WeakPolarHBondContact O-CB 3.19Å; A18-H22 PolarHBondContact O-N 2.91Å
19	Q	89	Confident	76.2	Confident	100 Å²	100	86 Å²	86	47%	0.467	46%	0.464	S	S	.	.	H	α-helix	trans	-66.5	-42.1	176.5	-75.7	170.4	-32.4	0	0	111.8	T16 L17 T23	T16-Q19 WeakPolarHBondContact O-CB 3.07Å; T16-Q19 PolarHBondContact O-N 3.42Å; T16-Q19 VanDerWaalsContact O-N 3.08Å; T16-Q19 VanDerWaalsContact OG1-CG 3.31Å; T16-Q19 WeakPolarHBondContact OG1-CG 3.29Å; T16-Q19 PolarHBondContact OG1-N 3.24Å; T16-Q19 PolarHBondContact OG1-OE1 3.24Å; L17-Q19 PolarHBondContact O-N 3.18Å; Q19-T23 WeakPolarHBondContact O-CB 3.24Å; Q19-T23 PolarHBondContact O-N 2.84Å; Q19-T23 PolarHBondContact O-OG1 3.13Å
20	V	87.4	Confident	76.7	Confident	18 Å²	18	88 Å²	88	11%	0.109	47%	0.465	C	S	.	.	H	α-helix	trans	-64.4	-47.7	177.5	176.2	0	0	0	0	110.2	V15 T16 L17 H22 T23 I24 L62 F66 L83	V15-V20 HydrophobicContact CB-CG2 4.23Å; V15-V20 HydrophobicContact CG2-CG2 4.13Å; T16-V20 PolarHBondContact O-N 3.49Å; L17-V20 PolarHBondContact O-N 2.83Å; V20-H22 PolarHBondContact O-N 3.21Å; V20-T23 WeakPolarHBondContact O-CB 3.48Å; V20-T23 PolarHBondContact O-N 3.25Å; V20-I24 HydrophobicContact CG1-CD1 3.92Å; V20-I24 WeakPolarHBondContact O-CG1 3.3Å; V20-I24 PolarHBondContact O-N 3.23Å; V20-L62 HydrophobicContact CG1-CD2 4.07Å; V20-F66 HydrophobicContact CB-CE2 4.47Å; V20-F66 HydrophobicContact CB-CZ 4.49Å; V20-F66 HydrophobicContact CG2-CE2 4.12Å; V20-F66 HydrophobicContact CG2-CZ 3.84Å; V20-L83 HydrophobicContact CG2-CD2 3.93Å
21	R	83.8	Confident	76.6	Confident	99 Å²	99	86.6 Å²	86.6	37%	0.374	46%	0.457	S	S	.	.	H	α-helix	trans	-55	-54.6	176.3	177.8	176.3	175.7	165.8	1.7	112.1	L17 T23 I24 E25 E59 L62	L17-R21 WeakPolarHBondContact O-CB 3.44Å; L17-R21 PolarHBondContact O-N 2.7Å; R21-T23 PolarHBondContact O-N 3.03Å; R21-I24 PolarHBondContact O-N 2.97Å; R21-I24 VanDerWaalsContact O-N 3.13Å; R21-E25 IonicContact CZ-OE1 3.83Å; R21-E25 IonicContact NE-OE1 2.99Å; R21-E25 PolarHBondContact NE-OE1 2.89Å; R21-E25 IonicContact NH2-OE1 3.73Å; R21-E25 WeakPolarHBondContact O-CG 3.48Å; R21-E25 PolarHBondContact O-N 3.48Å; R21-E59 IonicContact CZ-OE1 3.87Å; R21-E59 IonicContact CZ-OE2 3.27Å; R21-E59 VanDerWaalsContact CZ-OE2 3.27Å; R21-E59 IonicContact NE-OE2 3.55Å; R21-E59 IonicContact NH1-OE1 2.85Å; R21-E59 PolarHBondContact NH1-OE1 2.59Å; R21-E59 IonicContact NH1-OE2 2.94Å; R21-E59 PolarHBondContact NH1-OE2 2.9Å; R21-L62 HydrophobicContact CB-CD1 4.09Å; R21-L62 HydrophobicContact CG-CD1 4.44Å
22	H	84	Confident	76.3	Confident	88 Å²	88	82.7 Å²	82.7	41%	0.407	45%	0.451	S	S	.	.	H	α-helix	trans	-62.3	-33	-180	173	-99.2	0	0	0	112.3	A18 V20 R26	A18-H22 VanDerWaalsContact O-CB 3.29Å; A18-H22 WeakPolarHBondContact O-CB 3.19Å; A18-H22 PolarHBondContact O-N 2.91Å; V20-H22 PolarHBondContact O-N 3.21Å; H22-R26 PolarHBondContact CE1-NE 3.08Å; H22-R26 PolarHBondContact CE1-NH2 3.33Å; H22-R26 VanDerWaalsContact CE1-NH2 3.27Å; H22-R26 PolarHBondContact NE2-NE 3.26Å; H22-R26 VanDerWaalsContact NE2-NE 3.15Å; H22-R26 PolarHBondContact NE2-NH2 3.36Å; H22-R26 WeakPolarHBondContact O-CB 3.32Å; H22-R26 WeakPolarHBondContact O-CG 3.29Å; H22-R26 PolarHBondContact O-N 2.94Å; H22-R26 VanDerWaalsContact O-N 3.09Å
23	T	83.8	Confident	75.9	Confident	77 Å²	77	77.5 Å²	77.5	47%	0.472	43%	0.434	S	S	.	.	H	α-helix	trans	-65.9	-45.5	174.2	-58.6	0	0	0	0	111.3	Q19 V20 R21 R26 I27	Q19-T23 WeakPolarHBondContact O-CB 3.24Å; Q19-T23 PolarHBondContact O-N 2.84Å; Q19-T23 PolarHBondContact O-OG1 3.13Å; V20-T23 WeakPolarHBondContact O-CB 3.48Å; V20-T23 PolarHBondContact O-N 3.25Å; R21-T23 PolarHBondContact O-N 3.03Å; T23-R26 PolarHBondContact O-N 3.16Å; T23-I27 WeakPolarHBondContact O-CG1 3.5Å; T23-I27 PolarHBondContact O-N 3.48Å; T23-I27 VanDerWaalsContact O-N 3.1Å
24	I	80.3	Confident	74.1	Confident	54 Å²	54	79 Å²	79	28%	0.277	44%	0.442	S	S	.	.	H	α-helix	trans	-62.3	-46.7	177.6	-69.1	168.6	0	0	0	110.8	V20 R21 R26 I27 A28 L62	V20-I24 HydrophobicContact CG1-CD1 3.92Å; V20-I24 WeakPolarHBondContact O-CG1 3.3Å; V20-I24 PolarHBondContact O-N 3.23Å; R21-I24 PolarHBondContact O-N 2.97Å; R21-I24 VanDerWaalsContact O-N 3.13Å; I24-R26 PolarHBondContact O-N 3.44Å; I24-I27 WeakPolarHBondContact O-CG1 3.31Å; I24-I27 PolarHBondContact O-N 2.71Å; I24-A28 CarbonylContact O-C 3.59Å; I24-A28 PolarHBondContact O-N 3.03Å; I24-L62 HydrophobicContact CD1-CD1 4.11Å; I24-L62 HydrophobicContact CD1-CD2 3.44Å; I24-L62 VanDerWaalsContact CD1-CD2 3.44Å; I24-L62 HydrophobicContact CD1-CG 4.36Å
25	E	77.7	Confident	71.9	Confident	96 Å²	96	77.9 Å²	77.9	45%	0.449	44%	0.435	S	S	.	.	H	α-helix	trans	-59.5	-33.7	177.2	-72.4	172.9	177.1	0	0	112.4	R21 P29	R21-E25 IonicContact CZ-OE1 3.83Å; R21-E25 IonicContact NE-OE1 2.99Å; R21-E25 PolarHBondContact NE-OE1 2.89Å; R21-E25 IonicContact NH2-OE1 3.73Å; R21-E25 WeakPolarHBondContact O-CG 3.48Å; R21-E25 PolarHBondContact O-N 3.48Å; E25-P29 WeakPolarHBondContact O-CA 3.4Å
26	R	77.8	Confident	69.7	Low	188 Å²	188	82.6 Å²	82.6	71%	0.709	46%	0.46	S	S	*	.	H	α-helix	trans	-73.3	-39.5	176.6	-82.1	-170.6	177.2	-164.2	2.4	114	H22 T23 I24	H22-R26 PolarHBondContact CE1-NE 3.08Å; H22-R26 PolarHBondContact CE1-NH2 3.33Å; H22-R26 VanDerWaalsContact CE1-NH2 3.27Å; H22-R26 PolarHBondContact NE2-NE 3.26Å; H22-R26 VanDerWaalsContact NE2-NE 3.15Å; H22-R26 PolarHBondContact NE2-NH2 3.36Å; H22-R26 WeakPolarHBondContact O-CB 3.32Å; H22-R26 WeakPolarHBondContact O-CG 3.29Å; H22-R26 PolarHBondContact O-N 2.94Å; H22-R26 VanDerWaalsContact O-N 3.09Å; T23-R26 PolarHBondContact O-N 3.16Å; I24-R26 PolarHBondContact O-N 3.44Å
27	I	74.6	Confident	67.5	Low	132 Å²	132	83.9 Å²	83.9	68%	0.677	47%	0.468	S	S	*	.	H	α-helix	trans	-84.2	-30.4	-176.9	64.7	179.7	0	0	0	112.3	T23 I24	T23-I27 WeakPolarHBondContact O-CG1 3.5Å; T23-I27 PolarHBondContact O-N 3.48Å; T23-I27 VanDerWaalsContact O-N 3.1Å; I24-I27 WeakPolarHBondContact O-CG1 3.31Å; I24-I27 PolarHBondContact O-N 2.71Å
28	A	67.9	Low	65.6	Low	31 Å²	31	93.5 Å²	93.5	26%	0.256	50%	0.502	S	S	.	.	S	Bend	trans	-141	73.7	-176.4	0	0	0	0	0	109.4	I24 S30	I24-A28 CarbonylContact O-C 3.59Å; I24-A28 PolarHBondContact O-N 3.03Å; A28-S30 PolarHBondContact O-N 3.34Å
29	P	54.3	Low	63.6	Low	95 Å²	95	93.4 Å²	93.4	62%	0.617	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	115.8	174.3	23.9	-31.5	0	0	0	108.4	E25 T31	E25-P29 WeakPolarHBondContact O-CA 3.4Å; P29-T31 PolarHBondContact O-N 3.15Å
30	S	52.5	Low	61.9	Low	117 Å²	117	97.7 Å²	97.7	82%	0.818	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.5	17.1	168.1	-31.9	0	0	0	0	118.7	A28 A32	A28-S30 PolarHBondContact O-N 3.34Å; S30-A32 VanDerWaalsContact C-N 3.28Å; S30-A32 PolarHBondContact O-N 3.15Å
31	T	49.6	Very low	60.3	Low	78 Å²	78	100.1 Å²	100.1	48%	0.479	53%	0.53	S	S	.	.			trans	-75.3	86.6	167.4	48.4	0	0	0	0	109.9	P29 V33	P29-T31 PolarHBondContact O-N 3.15Å; T31-V33 VanDerWaalsContact C-N 3.29Å; T31-V33 PolarHBondContact O-N 3.1Å
32	A	47.2	Very low	58.7	Low	71 Å²	71	99.7 Å²	99.7	59%	0.587	56%	0.557	S	S	*	*			trans	-52.5	104	148.2	0	0	0	0	0	106.4	S30 T34	S30-A32 VanDerWaalsContact C-N 3.28Å; S30-A32 PolarHBondContact O-N 3.15Å; A32-T34 VanDerWaalsContact C-N 3.27Å; A32-T34 PolarHBondContact O-N 3.14Å
33	V	49.4	Very low	57.1	Low	73 Å²	73	105.3 Å²	105.3	44%	0.442	57%	0.574	S	S	.	*			trans	-67.5	96.4	175.6	-179.4	0	0	0	0	106	T31 L35 I56	T31-V33 VanDerWaalsContact C-N 3.29Å; T31-V33 PolarHBondContact O-N 3.1Å; V33-L35 HydrophobicContact CG1-CD2 4.33Å; V33-L35 HydrophobicContact CG1-CG 4.33Å; V33-L35 PolarHBondContact O-N 2.78Å; V33-I56 HydrophobicContact CB-CD1 4.19Å; V33-I56 HydrophobicContact CG1-CD1 4.11Å
34	T	45.1	Very low	55.3	Low	72 Å²	72	107.1 Å²	107.1	44%	0.442	59%	0.588	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-80.5	99.8	173.1	-61.1	0	0	0	0	107.1	A32 N36 T53	A32-T34 VanDerWaalsContact C-N 3.27Å; A32-T34 PolarHBondContact O-N 3.14Å; T34-N36 PolarHBondContact O-N 3.3Å; T34-T53 HydrophobicContact CG2-CG2 3.63Å
35	L	45.7	Very low	53.7	Low	81 Å²	81	109 Å²	109	42%	0.424	60%	0.597	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-75.5	106.8	168.9	-73.1	178	0	0	0	108	V33 V37 L54 I56	V33-L35 HydrophobicContact CG1-CD2 4.33Å; V33-L35 HydrophobicContact CG1-CG 4.33Å; V33-L35 PolarHBondContact O-N 2.78Å; L35-V37 VanDerWaalsContact C-N 3.32Å; L35-V37 HydrophobicContact CB-CG2 4.44Å; L35-V37 PolarHBondContact O-N 3.28Å; L35-L54 HydrophobicContact CB-CB 4.09Å; L35-L54 PolarHBondContact N-O 3.19Å; L35-L54 PolarHBondContact O-N 3.24Å; L35-I56 HydrophobicContact CD1-CD1 3.67Å; L35-I56 HydrophobicContact CD1-CG1 4.36Å; L35-I56 HydrophobicContact CG-CD1 3.94Å
36	N	43.7	Very low	52.3	Low	120 Å²	120	109.4 Å²	109.4	64%	0.642	61%	0.606	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-73.1	90.2	164.4	-76.1	-62.4	0	0	0	108	T34 R38	T34-N36 PolarHBondContact O-N 3.3Å; N36-R38 PolarHBondContact O-N 3.38Å
37	V	46.9	Very low	50.8	Low	75 Å²	75	106.8 Å²	106.8	46%	0.455	61%	0.612	S	S	.	*			trans	-73.4	101.4	173.4	-170.9	0	0	0	0	108.1	L35 P39 L54	L35-V37 VanDerWaalsContact C-N 3.32Å; L35-V37 HydrophobicContact CB-CG2 4.44Å; L35-V37 PolarHBondContact O-N 3.28Å; V37-P39 WeakPolarHBondContact O-CD 3.41Å; V37-L54 HydrophobicContact CG2-CB 4.38Å; V37-L54 HydrophobicContact CG2-CD1 3.33Å; V37-L54 HydrophobicContact CG2-CG 3.83Å
38	R	49.4	Very low	49.6	Very low	229 Å²	229	109.5 Å²	109.5	86%	0.864	62%	0.621	S	S	*	*			trans	-75	117.6	165	-168.8	174.1	-177.5	173	0.4	107.3	N36 K40	N36-R38 PolarHBondContact O-N 3.38Å; R38-K40 PolarHBondContact O-N 2.96Å
39	P	45.4	Very low	48.5	Very low	67 Å²	67	114.5 Å²	114.5	44%	0.435	64%	0.639	S	S	.	*			trans	-61.6	128.9	179.3	20.8	-28.8	0	0	0	110	V37 S41 I45	V37-P39 WeakPolarHBondContact O-CD 3.41Å; P39-S41 PolarHBondContact O-N 2.94Å; P39-S41 VanDerWaalsContact O-N 3.12Å; P39-I45 HydrophobicContact CG-CD1 3.62Å; P39-I45 HydrophobicContact CG-CG1 4.19Å
40	K	54	Low	48.1	Very low	190 Å²	190	116.6 Å²	116.6	83%	0.826	64%	0.641	S	S	*	*	S	Bend	trans	-66.7	-6.8	-177.2	-80.5	-174.3	173.9	178.4	0	114.8	R38	R38-K40 PolarHBondContact O-N 2.96Å
41	S	53.1	Low	47.8	Very low	69 Å²	69	118.9 Å²	118.9	48%	0.483	64%	0.639	S	S	.	*	S	Bend	trans	-87.4	119	175.6	105.4	0	0	0	0	108.1	P39 R43	P39-S41 PolarHBondContact O-N 2.94Å; P39-S41 VanDerWaalsContact O-N 3.12Å; S41-R43 PolarHBondContact O-N 3.08Å; S41-R43 WeakPolarHBondContact OG-CB 3.43Å
42	G	51.5	Low	47.7	Very low	90 Å²	90	122.7 Å²	122.7	93%	0.928	65%	0.645	S	S	*	*			trans	-62.9	23.3	172.6	0	0	0	0	0	114.7
43	R	48.7	Very low	47.7	Very low	206 Å²	206	123 Å²	123	78%	0.777	64%	0.64	S	S	*	*	S	Bend	trans	-75.4	124.4	166.3	-69.4	-175.9	173.5	-173	-1.6	107.9	S41 I45	S41-R43 PolarHBondContact O-N 3.08Å; S41-R43 WeakPolarHBondContact OG-CB 3.43Å; R43-I45 PolarHBondContact O-N 3.25Å; R43-I45 VanDerWaalsContact O-N 3.15Å
44	P	47	Very low	47.8	Very low	116 Å²	116	123.8 Å²	123.8	75%	0.753	64%	0.641	S	S	*	*			trans	-58.4	123	170.3	23.5	-30.2	0	0	0	107.9	T46	P44-T46 PolarHBondContact O-N 2.94Å
45	I	47	Very low	48.3	Very low	92 Å²	92	125 Å²	125	47%	0.472	65%	0.653	S	S	.	*			trans	-63.2	108	173.2	-52.3	178.4	0	0	0	105.7	P39 R43 T47 Q49	P39-I45 HydrophobicContact CG-CD1 3.62Å; P39-I45 HydrophobicContact CG-CG1 4.19Å; R43-I45 PolarHBondContact O-N 3.25Å; R43-I45 VanDerWaalsContact O-N 3.15Å; I45-T47 PolarHBondContact O-N 3.25Å; I45-Q49 HydrophobicContact CG2-CB 3.62Å
46	T	47.3	Very low	48.8	Very low	105 Å²	105	124.1 Å²	124.1	64%	0.644	65%	0.648	S	S	*	*			trans	-59.9	129.1	170	34.7	0	0	0	0	107.8	P44 Q48	P44-T46 PolarHBondContact O-N 2.94Å; T46-Q48 PolarHBondContact O-N 2.84Å
47	T	47.8	Very low	50	Low	134 Å²	134	122.6 Å²	122.6	82%	0.822	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-37.1	118.5	-175.8	44.1	0	0	0	0	112.4	I45	I45-T47 PolarHBondContact O-N 3.25Å
48	Q	48.4	Very low	51.1	Low	189 Å²	189	122.2 Å²	122.2	88%	0.883	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	117.6	-7.5	172.6	-68.4	-173.5	27.6	0	0	116.8	T46 Q50	T46-Q48 PolarHBondContact O-N 2.84Å; Q48-Q50 VanDerWaalsContact C-N 3.32Å; Q48-Q50 PolarHBondContact O-N 3.46Å
49	Q	44.5	Very low	52.5	Low	136 Å²	136	114.2 Å²	114.2	64%	0.636	61%	0.607	S	S	*	*			trans	-84.1	84.6	172.8	-62.3	-172.1	9.7	0	0	110.9	I45 Q51	I45-Q49 HydrophobicContact CG2-CB 3.62Å; Q49-Q51 PolarHBondContact O-N 2.94Å
50	Q	46.3	Very low	54	Low	139 Å²	139	114.3 Å²	114.3	65%	0.65	61%	0.609	S	S	*	*			trans	20.1	102.3	144.9	-60.2	174.3	13.6	0	0	113.6	Q48 Y52	Q48-Q50 VanDerWaalsContact C-N 3.32Å; Q48-Q50 PolarHBondContact O-N 3.46Å; Q50-Y52 VanDerWaalsContact C-N 3.27Å; Q50-Y52 PolarHBondContact O-N 2.85Å
51	Q	45.9	Very low	55.2	Low	164 Å²	164	107.6 Å²	107.6	77%	0.766	59%	0.586	S	S	*	*			trans	-51.2	106.4	150.9	-70.1	172.7	-74.8	0	0	105.3	Q49 T53	Q49-Q51 PolarHBondContact O-N 2.94Å; Q51-T53 PolarHBondContact O-N 2.88Å
52	Y	48.1	Very low	56.6	Low	159 Å²	159	104.8 Å²	104.8	62%	0.624	57%	0.566	S	S	*	*			trans	-67.1	90.2	168.3	-68.4	-83.2	0	0	0	105	Q50 L54	Q50-Y52 VanDerWaalsContact C-N 3.27Å; Q50-Y52 PolarHBondContact O-N 2.85Å; Y52-L54 PolarHBondContact O-N 3.02Å
53	T	47	Very low	58.2	Low	77 Å²	77	103.2 Å²	103.2	47%	0.472	53%	0.534	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	95.4	157	-54.7	0	0	0	0	104.1	T34 Q51 S55	T34-T53 HydrophobicContact CG2-CG2 3.63Å; Q51-T53 PolarHBondContact O-N 2.88Å; T53-S55 PolarHBondContact O-N 2.79Å
54	L	51.9	Low	59.9	Low	89 Å²	89	99.6 Å²	99.6	47%	0.466	52%	0.521	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	91.6	165.4	-79.9	-178.7	0	0	0	105.2	L35 V37 Y52 I56	L35-L54 HydrophobicContact CB-CB 4.09Å; L35-L54 PolarHBondContact N-O 3.19Å; L35-L54 PolarHBondContact O-N 3.24Å; V37-L54 HydrophobicContact CG2-CB 4.38Å; V37-L54 HydrophobicContact CG2-CD1 3.33Å; V37-L54 HydrophobicContact CG2-CG 3.83Å; Y52-L54 PolarHBondContact O-N 3.02Å; L54-I56 PolarHBondContact O-N 3.46Å
55	S	54.7	Low	61.8	Low	98 Å²	98	94.9 Å²	94.9	69%	0.685	49%	0.489	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.6	105.7	163.6	-61.8	0	0	0	0	106.4	T53 D57	T53-S55 PolarHBondContact O-N 2.79Å; S55-D57 PolarHBondContact O-N 2.97Å
56	I	56.7	Low	63.9	Low	63 Å²	63	90.5 Å²	90.5	32%	0.323	47%	0.466	S	S	.	.			trans	-72.4	111.4	168.8	-63.8	171.3	0	0	0	106.1	V33 L35 L54 I58 S61	V33-I56 HydrophobicContact CB-CD1 4.19Å; V33-I56 HydrophobicContact CG1-CD1 4.11Å; L35-I56 HydrophobicContact CD1-CD1 3.67Å; L35-I56 HydrophobicContact CD1-CG1 4.36Å; L35-I56 HydrophobicContact CG-CD1 3.94Å; L54-I56 PolarHBondContact O-N 3.46Å; I56-I58 PolarHBondContact O-N 3.23Å; I56-I58 VanDerWaalsContact O-N 3.13Å; I56-S61 WeakPolarHBondContact CG2-OG 3.37Å
57	D	68.1	Low	65.8	Low	87 Å²	87	89.1 Å²	89.1	47%	0.465	45%	0.449	S	S	.	.			trans	-67.3	110.6	164.3	178.3	45.5	0	0	0	107.9	S55 E59 S60 S61	S55-D57 PolarHBondContact O-N 2.97Å; D57-E59 PolarHBondContact O-N 3.21Å; D57-S60 WeakPolarHBondContact OD2-CB 3.35Å; D57-S60 PolarHBondContact OD2-N 3.41Å; D57-S60 PolarHBondContact OD2-OG 2.99Å; D57-S61 VanDerWaalsContact O-CB 3.31Å; D57-S61 WeakPolarHBondContact O-CB 3.45Å; D57-S61 PolarHBondContact O-N 3.32Å; D57-S61 PolarHBondContact O-OG 2.97Å
58	I	70.4	Confident	67.3	Low	68 Å²	68	86.4 Å²	86.4	35%	0.349	43%	0.429	S	S	.	.	H	α-helix	trans	-61	-40	-176	-66.8	169.6	0	0	0	109.3	I56 S61 L62	I56-I58 PolarHBondContact O-N 3.23Å; I56-I58 VanDerWaalsContact O-N 3.13Å; I58-S61 PolarHBondContact O-N 3.36Å; I58-L62 HydrophobicContact CG2-CD1 3.72Å; I58-L62 HydrophobicContact CG2-CG 4.01Å; I58-L62 WeakPolarHBondContact O-CB 3.37Å; I58-L62 VanDerWaalsContact O-CG 3.24Å; I58-L62 WeakPolarHBondContact O-CG 3.47Å; I58-L62 PolarHBondContact O-N 2.92Å
59	E	78.3	Confident	68.8	Low	60 Å²	60	81.6 Å²	81.6	28%	0.28	41%	0.409	S	S	.	.	H	α-helix	trans	-63.8	-52.9	-176.2	-162	69.4	-176.4	0	0	111.3	R21 D57 S61 L62 E63	R21-E59 IonicContact CZ-OE1 3.87Å; R21-E59 IonicContact CZ-OE2 3.27Å; R21-E59 VanDerWaalsContact CZ-OE2 3.27Å; R21-E59 IonicContact NE-OE2 3.55Å; R21-E59 IonicContact NH1-OE1 2.85Å; R21-E59 PolarHBondContact NH1-OE1 2.59Å; R21-E59 IonicContact NH1-OE2 2.94Å; R21-E59 PolarHBondContact NH1-OE2 2.9Å; D57-E59 PolarHBondContact O-N 3.21Å; E59-S61 PolarHBondContact O-N 3Å; E59-L62 PolarHBondContact O-N 3.11Å; E59-E63 WeakPolarHBondContact O-CG 3.33Å; E59-E63 PolarHBondContact O-N 3.1Å
60	S	78.1	Confident	70.3	Confident	69 Å²	69	80 Å²	80	48%	0.483	41%	0.411	S	S	.	.	H	α-helix	trans	-60.2	-34.8	176.6	-59.3	0	0	0	0	112.5	D57 W64	D57-S60 WeakPolarHBondContact OD2-CB 3.35Å; D57-S60 PolarHBondContact OD2-N 3.41Å; D57-S60 PolarHBondContact OD2-OG 2.99Å; S60-W64 PolarHBondContact O-N 3.29Å; S60-W64 VanDerWaalsContact O-N 3.08Å
61	S	78.1	Confident	72.1	Confident	49 Å²	49	78.9 Å²	78.9	34%	0.343	42%	0.418	S	S	.	.	H	α-helix	trans	-72.4	-37.7	179.3	-57.2	0	0	0	0	112.4	I56 D57 I58 E59 W64 L65	I56-S61 WeakPolarHBondContact CG2-OG 3.37Å; D57-S61 VanDerWaalsContact O-CB 3.31Å; D57-S61 WeakPolarHBondContact O-CB 3.45Å; D57-S61 PolarHBondContact O-N 3.32Å; D57-S61 PolarHBondContact O-OG 2.97Å; I58-S61 PolarHBondContact O-N 3.36Å; E59-S61 PolarHBondContact O-N 3Å; S61-W64 PolarHBondContact O-N 3.18Å; S61-L65 PolarHBondContact O-N 3.25Å
62	L	82.4	Confident	74	Confident	11 Å²	11	74.3 Å²	74.3	6%	0.058	40%	0.399	C	S	.	.	H	α-helix	trans	-69.3	-41.8	173.9	-68.6	179.6	0	0	0	111.2	L17 V20 R21 I24 I58 E59 W64 L65 F66	L17-L62 HydrophobicContact CD1-CB 3.76Å; V20-L62 HydrophobicContact CG1-CD2 4.07Å; R21-L62 HydrophobicContact CB-CD1 4.09Å; R21-L62 HydrophobicContact CG-CD1 4.44Å; I24-L62 HydrophobicContact CD1-CD1 4.11Å; I24-L62 HydrophobicContact CD1-CD2 3.44Å; I24-L62 VanDerWaalsContact CD1-CD2 3.44Å; I24-L62 HydrophobicContact CD1-CG 4.36Å; I58-L62 HydrophobicContact CG2-CD1 3.72Å; I58-L62 HydrophobicContact CG2-CG 4.01Å; I58-L62 WeakPolarHBondContact O-CB 3.37Å; I58-L62 VanDerWaalsContact O-CG 3.24Å; I58-L62 WeakPolarHBondContact O-CG 3.47Å; I58-L62 PolarHBondContact O-N 2.92Å; E59-L62 PolarHBondContact O-N 3.11Å; L62-W64 PolarHBondContact O-N 2.97Å; L62-L65 HydrophobicContact CD2-CD1 4.24Å; L62-L65 WeakPolarHBondContact O-CB 3.46Å; L62-L65 PolarHBondContact O-N 3.09Å; L62-F66 WeakPolarHBondContact O-CD2 3.49Å
63	E	86.4	Confident	75.9	Confident	56 Å²	56	71.6 Å²	71.6	26%	0.262	40%	0.404	S	S	.	.	H	α-helix	trans	-57.7	-40.1	173.7	-75.2	-165.9	169.3	0	0	112.2	L17 E59 L65 F66 R67 P74	L17-E63 HydrophobicContact CD2-CG 4.13Å; E59-E63 WeakPolarHBondContact O-CG 3.33Å; E59-E63 PolarHBondContact O-N 3.1Å; E63-L65 VanDerWaalsContact C-N 3.28Å; E63-L65 PolarHBondContact O-N 2.93Å; E63-F66 CarbonylContact O-C 3.55Å; E63-F66 WeakPolarHBondContact O-CA 3.37Å; E63-F66 PolarHBondContact O-N 3.27Å; E63-R67 PolarHBondContact O-N 3.13Å; E63-R67 IonicContact OE2-CZ 3.96Å; E63-R67 IonicContact OE2-NH2 2.94Å; E63-R67 PolarHBondContact OE2-NH2 2.96Å; E63-P74 HydrophobicContact CB-CB 4.42Å; E63-P74 HydrophobicContact CG-CG 4.4Å
64	W	84.1	Confident	77.8	Confident	131 Å²	131	69.4 Å²	69.4	50%	0.496	39%	0.39	S	S	.	.	H	α-helix	trans	-58.7	-38.6	178.8	177.7	86.6	0	0	0	112.5	S60 S61 L62 F66 R67 C90	S60-W64 PolarHBondContact O-N 3.29Å; S60-W64 VanDerWaalsContact O-N 3.08Å; S61-W64 PolarHBondContact O-N 3.18Å; L62-W64 PolarHBondContact O-N 2.97Å; W64-F66 PolarHBondContact O-N 3.49Å; W64-F66 VanDerWaalsContact O-N 3.15Å; W64-R67 PolarHBondContact O-N 2.98Å; W64-R67 VanDerWaalsContact O-N 3.1Å; W64-C90 WeakPolarHBondContact CZ3-SG 3.15Å
65	L	86.9	Confident	79.6	Confident	16 Å²	16	68.5 Å²	68.5	8%	0.084	39%	0.386	C	S	.	.	H	α-helix	trans	-61.9	-23.2	175.8	-68.5	169.5	0	0	0	113	S61 L62 E63 L83 R86 L87	S61-L65 PolarHBondContact O-N 3.25Å; L62-L65 HydrophobicContact CD2-CD1 4.24Å; L62-L65 WeakPolarHBondContact O-CB 3.46Å; L62-L65 PolarHBondContact O-N 3.09Å; E63-L65 VanDerWaalsContact C-N 3.28Å; E63-L65 PolarHBondContact O-N 2.93Å; L65-L83 HydrophobicContact CB-CD1 4.29Å; L65-L83 HydrophobicContact CD1-CD1 4.12Å; L65-R86 HydrophobicContact CD2-CB 3.9Å; L65-L87 HydrophobicContact CD1-CD2 3.87Å; L65-L87 HydrophobicContact CD2-CD2 3.96Å; L65-L87 HydrophobicContact CD2-CG 4.33Å
66	F	90.6	Very high	81.3	Confident	1 Å²	1	71.3 Å²	71.3	0%	0.004	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.5	-0.9	-179.6	-76.7	-107.9	0	0	0	113	L17 V20 L62 E63 W64 P74 L75 I78	L17-F66 HydrophobicContact CB-CD1 4.21Å; L17-F66 HydrophobicContact CB-CD2 4.47Å; L17-F66 HydrophobicContact CB-CE1 4.1Å; L17-F66 HydrophobicContact CB-CE2 4.38Å; L17-F66 HydrophobicContact CB-CG 4.39Å; L17-F66 HydrophobicContact CB-CZ 4.2Å; L17-F66 HydrophobicContact CD1-CD2 3.76Å; L17-F66 HydrophobicContact CD1-CE2 3.9Å; L17-F66 HydrophobicContact CD1-CG 4.28Å; L17-F66 VanDerWaalsContact N-CE1 3.28Å; V20-F66 HydrophobicContact CB-CE2 4.47Å; V20-F66 HydrophobicContact CB-CZ 4.49Å; V20-F66 HydrophobicContact CG2-CE2 4.12Å; V20-F66 HydrophobicContact CG2-CZ 3.84Å; L62-F66 WeakPolarHBondContact O-CD2 3.49Å; E63-F66 CarbonylContact O-C 3.55Å; E63-F66 WeakPolarHBondContact O-CA 3.37Å; E63-F66 PolarHBondContact O-N 3.27Å; W64-F66 PolarHBondContact O-N 3.49Å; W64-F66 VanDerWaalsContact O-N 3.15Å; F66-P74 HydrophobicContact CB-CB 4.03Å; F66-L75 VanDerWaalsContact CD1-O 3.23Å; F66-L75 WeakPolarHBondContact CD1-O 3.36Å; F66-L75 WeakPolarHBondContact O-CB 3.45Å; F66-L75 WeakPolarHBondContact O-CG 3.47Å; F66-L75 PolarHBondContact O-N 3.08Å; F66-I78 HydrophobicContact CD1-CD1 4.28Å; F66-I78 HydrophobicContact CD1-CG1 4.11Å; F66-I78 HydrophobicContact CD1-CG2 4Å; F66-I78 HydrophobicContact CD2-CD1 4.3Å; F66-I78 HydrophobicContact CE1-CD1 4.19Å; F66-I78 HydrophobicContact CE1-CG1 3.78Å; F66-I78 HydrophobicContact CE1-CG2 4.43Å; F66-I78 HydrophobicContact CE2-CD1 4.2Å; F66-I78 HydrophobicContact CG-CD1 4.35Å; F66-I78 HydrophobicContact CZ-CD1 4.15Å; F66-I78 HydrophobicContact CZ-CG1 4.03Å
67	R	87.3	Confident	82.9	Confident	76 Å²	76	70.4 Å²	70.4	29%	0.287	39%	0.387	S	S	.	.			trans	-91.8	144.1	175.1	-69.7	179.5	-168.6	-155.9	5	111.3	E63 W64 P70 D72 P74	E63-R67 PolarHBondContact O-N 3.13Å; E63-R67 IonicContact OE2-CZ 3.96Å; E63-R67 IonicContact OE2-NH2 2.94Å; E63-R67 PolarHBondContact OE2-NH2 2.96Å; W64-R67 PolarHBondContact O-N 2.98Å; W64-R67 VanDerWaalsContact O-N 3.1Å; R67-P70 PolarHBondContact NH1-O 2.91Å; R67-P70 VanDerWaalsContact NH1-O 3.16Å; R67-D72 VanDerWaalsContact CD-O 3.3Å; R67-D72 WeakPolarHBondContact CD-O 3.47Å; R67-D72 WeakPolarHBondContact CG-O 3.41Å; R67-P74 HydrophobicContact CG-CB 4.03Å
68	I	79.9	Confident	84	Confident	77 Å²	77	66.6 Å²	66.6	40%	0.395	37%	0.367	S	S	.	.	S	Bend	trans	-85.1	-49.6	172.6	-60.1	-58.6	0	0	0	110.1	L75	I68-L75 HydrophobicContact CD1-CD1 3.8Å; I68-L75 HydrophobicContact CG1-CD1 3.93Å; I68-L75 HydrophobicContact CG1-CG 4.44Å
69	N	80.2	Confident	85.1	Confident	88 Å²	88	64.4 Å²	64.4	47%	0.471	36%	0.358	S	S	.	.	S	Bend	trans	-119.1	154.9	171.7	-57	-69.3	0	0	0	110	S71 D72	N69-S71 PolarHBondContact O-N 3.1Å; N69-S71 VanDerWaalsContact O-N 3.15Å; N69-D72 HydrophobicContact CB-CB 4.5Å; N69-D72 VanDerWaalsContact CB-OD2 3.29Å; N69-D72 WeakPolarHBondContact CB-OD2 3.29Å; N69-D72 PolarHBondContact N-OD2 3.43Å; N69-D72 PolarHBondContact ND2-OD2 3.28Å; N69-D72 PolarHBondContact O-N 3.29Å
70	P	76.1	Confident	85.6	Confident	102 Å²	102	65.3 Å²	65.3	66%	0.662	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-31.6	-178.4	21.9	-34	0	0	0	113.7	R67	R67-P70 PolarHBondContact NH1-O 2.91Å; R67-P70 VanDerWaalsContact NH1-O 3.16Å
71	S	83.1	Confident	86.1	Confident	116 Å²	116	67.3 Å²	67.3	81%	0.811	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-8.6	-179.5	-50.6	0	0	0	0	114.1	N69	N69-S71 PolarHBondContact O-N 3.1Å; N69-S71 VanDerWaalsContact O-N 3.15Å
72	D	85.2	Confident	86.6	Confident	67 Å²	67	69 Å²	69	36%	0.358	37%	0.371	S	S	.	.	S	Bend	trans	-83.6	152.3	-179.4	-65.1	-20.1	0	0	0	110.8	R67 N69	R67-D72 VanDerWaalsContact CD-O 3.3Å; R67-D72 WeakPolarHBondContact CD-O 3.47Å; R67-D72 WeakPolarHBondContact CG-O 3.41Å; N69-D72 HydrophobicContact CB-CB 4.5Å; N69-D72 VanDerWaalsContact CB-OD2 3.29Å; N69-D72 WeakPolarHBondContact CB-OD2 3.29Å; N69-D72 PolarHBondContact N-OD2 3.43Å; N69-D72 PolarHBondContact ND2-OD2 3.28Å; N69-D72 PolarHBondContact O-N 3.29Å
73	S	88.2	Confident	86.9	Confident	103 Å²	103	69.3 Å²	69.3	72%	0.72	37%	0.373	S	S	*	.	P	Polyproline II helix	trans	-63.4	144.6	166.2	-60.4	0	0	0	0	110.5	L75	S73-L75 PolarHBondContact O-N 3.49Å
74	P	87.7	Confident	86.9	Confident	30 Å²	30	70 Å²	70	20%	0.195	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-62.1	137.9	175.5	26.7	-33.3	0	0	0	110.4	E63 F66 R67	E63-P74 HydrophobicContact CB-CB 4.42Å; E63-P74 HydrophobicContact CG-CG 4.4Å; F66-P74 HydrophobicContact CB-CB 4.03Å; R67-P74 HydrophobicContact CG-CB 4.03Å
75	L	90.2	Very high	86.9	Confident	70 Å²	70	67.3 Å²	67.3	37%	0.366	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-62.4	143.5	170.1	-62.5	176.9	0	0	0	109.2	F66 I68 S73 S77 I78	F66-L75 VanDerWaalsContact CD1-O 3.23Å; F66-L75 WeakPolarHBondContact CD1-O 3.36Å; F66-L75 WeakPolarHBondContact O-CB 3.45Å; F66-L75 WeakPolarHBondContact O-CG 3.47Å; F66-L75 PolarHBondContact O-N 3.08Å; I68-L75 HydrophobicContact CD1-CD1 3.8Å; I68-L75 HydrophobicContact CG1-CD1 3.93Å; I68-L75 HydrophobicContact CG1-CG 4.44Å; S73-L75 PolarHBondContact O-N 3.49Å; L75-S77 PolarHBondContact O-N 3.06Å; L75-I78 HydrophobicContact CB-CG2 4.06Å; L75-I78 HydrophobicContact CD1-CG2 3.76Å
76	Q	88.8	Confident	86.7	Confident	158 Å²	158	70.8 Å²	70.8	74%	0.738	39%	0.391	S	S	*	.	S	Bend	trans	-70.2	-26.5	175.1	-67.4	-62.9	-52.7	0	0	111.9	T16 L17	T16-Q76 WeakPolarHBondContact CA-O 3.35Å; T16-Q76 WeakPolarHBondContact CB-O 3.49Å; L17-Q76 PolarHBondContact N-O 3.24Å
77	S	92	Very high	86.4	Confident	44 Å²	44	74 Å²	74	31%	0.308	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	147	-179.7	-163.1	0	0	0	0	111.6	N14 V15 L75	N14-S77 VanDerWaalsContact CB-OG 3.31Å; N14-S77 WeakPolarHBondContact CB-OG 3.23Å; V15-S77 VanDerWaalsContact C-OG 3.25Å; V15-S77 WeakPolarHBondContact O-CA 3.5Å; V15-S77 WeakPolarHBondContact O-CB 3.5Å; V15-S77 PolarHBondContact O-OG 3.21Å; L75-S77 PolarHBondContact O-N 3.06Å
78	I	91	Very high	85.8	Confident	7 Å²	7	77.1 Å²	77.1	4%	0.036	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	158.3	174	62.1	179.5	0	0	0	109.3	N14 V15 F66 L75 Q82 L83	N14-I78 CarbonylContact C-O 3.55Å; N14-I78 VanDerWaalsContact CA-O 3.3Å; N14-I78 WeakPolarHBondContact CA-O 3.21Å; V15-I78 HydrophobicContact CG2-CG1 4.22Å; V15-I78 PolarHBondContact N-O 3.21Å; V15-I78 PolarHBondContact O-N 2.72Å; F66-I78 HydrophobicContact CD1-CD1 4.28Å; F66-I78 HydrophobicContact CD1-CG1 4.11Å; F66-I78 HydrophobicContact CD1-CG2 4Å; F66-I78 HydrophobicContact CD2-CD1 4.3Å; F66-I78 HydrophobicContact CE1-CD1 4.19Å; F66-I78 HydrophobicContact CE1-CG1 3.78Å; F66-I78 HydrophobicContact CE1-CG2 4.43Å; F66-I78 HydrophobicContact CE2-CD1 4.2Å; F66-I78 HydrophobicContact CG-CD1 4.35Å; F66-I78 HydrophobicContact CZ-CD1 4.15Å; F66-I78 HydrophobicContact CZ-CG1 4.03Å; L75-I78 HydrophobicContact CB-CG2 4.06Å; L75-I78 HydrophobicContact CD1-CG2 3.76Å; I78-Q82 HydrophobicContact CB-CB 4.34Å; I78-L83 HydrophobicContact CD1-CB 3.75Å; I78-L83 HydrophobicContact CD1-CD1 4.12Å; I78-L83 HydrophobicContact CD1-CG 4.49Å; I78-L83 HydrophobicContact CG1-CB 4.28Å
79	S	92.2	Very high	85.4	Confident	22 Å²	22	76.1 Å²	76.1	15%	0.154	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	149.2	171.3	63.9	0	0	0	0	110.9	N81 Q82 L83	S79-N81 PolarHBondContact O-N 3.05Å; S79-Q82 VanDerWaalsContact N-OE1 3.12Å; S79-Q82 WeakPolarHBondContact O-CB 3.47Å; S79-Q82 PolarHBondContact O-N 3Å; S79-Q82 VanDerWaalsContact O-N 3.08Å; S79-Q82 WeakPolarHBondContact OG-CB 3.3Å; S79-Q82 VanDerWaalsContact OG-CG 3.24Å; S79-Q82 WeakPolarHBondContact OG-CG 3.5Å; S79-Q82 PolarHBondContact OG-N 3.47Å; S79-Q82 PolarHBondContact OG-OE1 3.08Å; S79-L83 PolarHBondContact O-N 3.24Å
80	L	88.9	Confident	84.8	Confident	79 Å²	79	73.2 Å²	73.2	41%	0.414	42%	0.421	S	S	.	.	H	α-helix	trans	-53.1	-39.4	172	-80.7	173.6	0	0	0	112.5	S13 V15 Q82 L83 T84	S13-L80 WeakPolarHBondContact O-CG 3.42Å; S13-L80 PolarHBondContact O-N 3.43Å; S13-L80 VanDerWaalsContact O-N 3.13Å; V15-L80 HydrophobicContact CB-CD2 4.43Å; V15-L80 HydrophobicContact CG1-CD2 3.43Å; V15-L80 VanDerWaalsContact CG1-CD2 3.43Å; V15-L80 HydrophobicContact CG1-CG 3.89Å; V15-L80 HydrophobicContact CG2-CD2 4.12Å; L80-Q82 PolarHBondContact O-N 3.19Å; L80-L83 WeakPolarHBondContact O-CB 3.24Å; L80-L83 PolarHBondContact O-N 3.13Å; L80-T84 PolarHBondContact O-N 3.4Å; L80-T84 PolarHBondContact O-OG1 2.95Å; L80-T84 VanDerWaalsContact O-OG1 3.1Å
81	N	88.9	Confident	83.8	Confident	111 Å²	111	74 Å²	74	59%	0.594	42%	0.42	S	S	*	.	H	α-helix	trans	-61.9	-43.4	177.5	-172.8	61.9	0	0	0	112	S79 T84 T85	S79-N81 PolarHBondContact O-N 3.05Å; N81-T84 PolarHBondContact O-N 3.15Å; N81-T85 PolarHBondContact O-N 3.21Å; N81-T85 PolarHBondContact O-OG1 2.74Å; N81-T85 VanDerWaalsContact O-OG1 3.11Å
82	Q	88.6	Confident	82.5	Confident	83 Å²	83	74 Å²	74	39%	0.388	41%	0.41	S	S	.	.	H	α-helix	trans	-61.6	-45.1	173.8	-76.7	170.5	-52	0	0	111.3	I78 S79 L80 T84 T85 R86	I78-Q82 HydrophobicContact CB-CB 4.34Å; S79-Q82 VanDerWaalsContact N-OE1 3.12Å; S79-Q82 WeakPolarHBondContact O-CB 3.47Å; S79-Q82 PolarHBondContact O-N 3Å; S79-Q82 VanDerWaalsContact O-N 3.08Å; S79-Q82 WeakPolarHBondContact OG-CB 3.3Å; S79-Q82 VanDerWaalsContact OG-CG 3.24Å; S79-Q82 WeakPolarHBondContact OG-CG 3.5Å; S79-Q82 PolarHBondContact OG-N 3.47Å; S79-Q82 PolarHBondContact OG-OE1 3.08Å; L80-Q82 PolarHBondContact O-N 3.19Å; Q82-T84 VanDerWaalsContact C-N 3.32Å; Q82-T84 PolarHBondContact O-N 3.27Å; Q82-T85 PolarHBondContact O-N 3.44Å; Q82-R86 WeakPolarHBondContact O-CB 3.37Å; Q82-R86 WeakPolarHBondContact O-CG 3.31Å; Q82-R86 PolarHBondContact O-N 2.84Å
83	L	88.5	Confident	80.7	Confident	19 Å²	19	80.1 Å²	80.1	10%	0.099	43%	0.434	C	S	.	.	H	α-helix	trans	-56.9	-47.4	177.1	178.7	58.9	0	0	0	111.2	V15 V20 L65 I78 S79 L80 R86 L87	V15-L83 HydrophobicContact CG2-CD2 3.93Å; V20-L83 HydrophobicContact CG2-CD2 3.93Å; L65-L83 HydrophobicContact CB-CD1 4.29Å; L65-L83 HydrophobicContact CD1-CD1 4.12Å; I78-L83 HydrophobicContact CD1-CB 3.75Å; I78-L83 HydrophobicContact CD1-CD1 4.12Å; I78-L83 HydrophobicContact CD1-CG 4.49Å; I78-L83 HydrophobicContact CG1-CB 4.28Å; S79-L83 PolarHBondContact O-N 3.24Å; L80-L83 WeakPolarHBondContact O-CB 3.24Å; L80-L83 PolarHBondContact O-N 3.13Å; L83-R86 PolarHBondContact O-N 3.32Å; L83-L87 HydrophobicContact CD1-CD1 4.13Å; L83-L87 HydrophobicContact CD1-CG 4.24Å; L83-L87 HydrophobicContact CG-CD1 4.05Å; L83-L87 WeakPolarHBondContact O-CG 3.42Å; L83-L87 PolarHBondContact O-N 3.02Å
84	T	86.2	Confident	78.6	Confident	70 Å²	70	82.8 Å²	82.8	43%	0.429	43%	0.433	S	S	.	.	H	α-helix	trans	-58.6	-51.6	177.2	-58.5	0	0	0	0	111.6	L80 N81 Q82 R86 L87 E88	L80-T84 PolarHBondContact O-N 3.4Å; L80-T84 PolarHBondContact O-OG1 2.95Å; L80-T84 VanDerWaalsContact O-OG1 3.1Å; N81-T84 PolarHBondContact O-N 3.15Å; Q82-T84 VanDerWaalsContact C-N 3.32Å; Q82-T84 PolarHBondContact O-N 3.27Å; T84-R86 PolarHBondContact O-N 2.61Å; T84-L87 CarbonylContact O-C 3.6Å; T84-L87 PolarHBondContact O-N 2.8Å; T84-L87 VanDerWaalsContact O-N 3.08Å; T84-E88 HydrophobicContact CG2-CG 4.38Å; T84-E88 WeakPolarHBondContact O-CG 3.32Å; T84-E88 PolarHBondContact O-N 2.71Å
85	T	84.1	Confident	76.5	Confident	74 Å²	74	84.6 Å²	84.6	45%	0.454	46%	0.457	S	S	.	.	H	α-helix	trans	-59.2	-36.3	178.5	-57.9	0	0	0	0	112.3	N81 Q82 G89	N81-T85 PolarHBondContact O-N 3.21Å; N81-T85 PolarHBondContact O-OG1 2.74Å; N81-T85 VanDerWaalsContact O-OG1 3.11Å; Q82-T85 PolarHBondContact O-N 3.44Å; T85-G89 PolarHBondContact O-N 2.96Å
86	R	83.6	Confident	73.9	Confident	89 Å²	89	92.6 Å²	92.6	34%	0.336	50%	0.5	S	S	.	.	H	α-helix	trans	-68.6	-40.1	176.4	-64.8	-68.3	-180	172.6	4.4	111.5	L65 Q82 L83 T84 G89 C90	L65-R86 HydrophobicContact CD2-CB 3.9Å; Q82-R86 WeakPolarHBondContact O-CB 3.37Å; Q82-R86 WeakPolarHBondContact O-CG 3.31Å; Q82-R86 PolarHBondContact O-N 2.84Å; L83-R86 PolarHBondContact O-N 3.32Å; T84-R86 PolarHBondContact O-N 2.61Å; R86-G89 PolarHBondContact O-N 2.67Å; R86-C90 PolarHBondContact O-N 3.29Å; R86-C90 PolarHBondContact O-SG 3.09Å
87	L	83.1	Confident	73.2	Confident	68 Å²	68	89.3 Å²	89.3	36%	0.356	49%	0.488	S	S	.	.	H	α-helix	trans	-67.6	-36.6	174.8	-71.5	170.4	0	0	0	112.5	L65 L83 T84 C90	L65-L87 HydrophobicContact CD1-CD2 3.87Å; L65-L87 HydrophobicContact CD2-CD2 3.96Å; L65-L87 HydrophobicContact CD2-CG 4.33Å; L83-L87 HydrophobicContact CD1-CD1 4.13Å; L83-L87 HydrophobicContact CD1-CG 4.24Å; L83-L87 HydrophobicContact CG-CD1 4.05Å; L83-L87 WeakPolarHBondContact O-CG 3.42Å; L83-L87 PolarHBondContact O-N 3.02Å; T84-L87 CarbonylContact O-C 3.6Å; T84-L87 PolarHBondContact O-N 2.8Å; T84-L87 VanDerWaalsContact O-N 3.08Å; L87-C90 VanDerWaalsContact O-CB 3.29Å; L87-C90 WeakPolarHBondContact O-CB 3.31Å; L87-C90 PolarHBondContact O-N 2.8Å
88	E	76.6	Confident	72.2	Confident	142 Å²	142	91.7 Å²	91.7	66%	0.664	50%	0.497	S	S	*	.	H	α-helix	trans	-66.2	-39.3	172.9	-71.4	173.4	160	0	0	111.7	T84 C90	T84-E88 HydrophobicContact CG2-CG 4.38Å; T84-E88 WeakPolarHBondContact O-CG 3.32Å; T84-E88 PolarHBondContact O-N 2.71Å; E88-C90 VanDerWaalsContact C-N 3.26Å; E88-C90 PolarHBondContact O-N 2.92Å
89	G	70.5	Confident	71.1	Confident	57 Å²	57	96.4 Å²	96.4	59%	0.588	52%	0.523	S	S	*	.	H	α-helix	trans	-71.9	-19.5	175	0	0	0	0	0	113.6	T85 R86 N91	T85-G89 PolarHBondContact O-N 2.96Å; R86-G89 PolarHBondContact O-N 2.67Å; G89-N91 PolarHBondContact O-N 2.87Å
90	C	66.7	Low	69.9	Low	26 Å²	26	100.8 Å²	100.8	18%	0.176	55%	0.545	C	S	.	.	S	Bend	trans	-67.1	117.2	164.2	-63.1	0	0	0	0	107	W64 R86 L87 E88 L92	W64-C90 WeakPolarHBondContact CZ3-SG 3.15Å; R86-C90 PolarHBondContact O-N 3.29Å; R86-C90 PolarHBondContact O-SG 3.09Å; L87-C90 VanDerWaalsContact O-CB 3.29Å; L87-C90 WeakPolarHBondContact O-CB 3.31Å; L87-C90 PolarHBondContact O-N 2.8Å; E88-C90 VanDerWaalsContact C-N 3.26Å; E88-C90 PolarHBondContact O-N 2.92Å; C90-L92 HydrophobicContact CB-CD1 4.26Å; C90-L92 HydrophobicContact CB-CD2 3.54Å; C90-L92 HydrophobicContact CB-CG 3.53Å; C90-L92 PolarHBondContact O-N 3.19Å
91	N	55.1	Low	68.7	Low	120 Å²	120	102.1 Å²	102.1	64%	0.642	55%	0.553	S	S	*	*			trans	-68.6	67.5	164.4	-75.5	-48.4	0	0	0	109.6	G89 F93 F94	G89-N91 PolarHBondContact O-N 2.87Å; N91-F93 PolarHBondContact O-N 2.87Å; N91-F94 HydrophobicContact CB-CD2 3.59Å; N91-F94 HydrophobicContact CB-CE2 3.26Å; N91-F94 HydrophobicContact CB-CZ 4.08Å; N91-F94 WeakPolarHBondContact O-CD2 3.39Å
92	L	55.8	Low	67.4	Low	114 Å²	114	101.5 Å²	101.5	60%	0.597	55%	0.55	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.8	-20.6	178.6	-61.5	176.2	0	0	0	111.3	C90	C90-L92 HydrophobicContact CB-CD1 4.26Å; C90-L92 HydrophobicContact CB-CD2 3.54Å; C90-L92 HydrophobicContact CB-CG 3.53Å; C90-L92 PolarHBondContact O-N 3.19Å
93	F	48.1	Very low	65.9	Low	196 Å²	196	102.9 Å²	102.9	86%	0.86	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.8	50.8	-179.8	-53.7	-75.8	0	0	0	112.2	N91 G95	N91-F93 PolarHBondContact O-N 2.87Å; F93-G95 PolarHBondContact O-N 3.28Å
94	F	44.8	Very low	64.1	Low	160 Å²	160	109.3 Å²	109.3	70%	0.702	60%	0.597	S	S	*	*			trans	-81.6	75.3	152.6	-79.3	-67.4	0	0	0	108.8	N91	N91-F94 HydrophobicContact CB-CD2 3.59Å; N91-F94 HydrophobicContact CB-CE2 3.26Å; N91-F94 HydrophobicContact CB-CZ 4.08Å; N91-F94 WeakPolarHBondContact O-CD2 3.39Å
95	G	43.4	Very low	62.3	Low	67 Å²	67	112.6 Å²	112.6	69%	0.691	61%	0.611	S	S	*	*			trans	-152.6	78.4	176.7	0	0	0	0	0	110.6	F93	F93-G95 PolarHBondContact O-N 3.28Å
96	N	35.9	Very low	60.3	Low	238 Å²	238	116.1 Å²	116.1	100%	1.273	63%	0.626	S	S	*	*			trans	-106	0	154.4	-111.3	28.6	0	0	0	107.2

Retrieved 96 of 96 residues in 78.1 ms (Link to these results)

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