A0A5K4FDG5_SCHMA Loading...

SCP domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FDG5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 100 aa.

						>A0A5K4FDG5_SCHMA|A0A5K4FDG5
MAWAKTTDIGCGVANCPRYGLSIVCNYGPGGNWNNEKPYEVKPRHMCSMMQNIPKNSLQTNSAHTQHGQKPIKKSEERVSRNMQYGRRIRDLRVYPKCRD
					

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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	81.2	Confident	93.3	Very high	162 Å²	162	79.4 Å²	79.4	80%	0.798	46%	0.464	S	S	*	.				0	127.7	0	-176.4	169	-75.7	0	0	106.9	W3	M1-W3 VanDerWaalsContact O-CD1 3.24Å
2	A	88.3	Confident	93.5	Very high	55 Å²	55	76.4 Å²	76.4	46%	0.455	46%	0.463	S	S	.	.			trans	-73.8	143.6	177.5	0	0	0	0	0	110.3	Y27	A2-Y27 HydrophobicContact CB-CD1 3.95Å; A2-Y27 HydrophobicContact CB-CE1 3.87Å
3	W	94.4	Very high	93.7	Very high	32 Å²	32	78 Å²	78	12%	0.121	47%	0.473	C	S	.	.			trans	-122	163	175.6	-73.2	79.1	0	0	0	110.2	M1 K5 T6 G31 N32 E36 K37 P38	M1-W3 VanDerWaalsContact O-CD1 3.24Å; W3-K5 PolarHBondContact O-N 2.76Å; W3-K5 VanDerWaalsContact O-N 3.09Å; W3-T6 PolarHBondContact N-OG1 3.16Å; W3-T6 VanDerWaalsContact N-OG1 3.13Å; W3-T6 VanDerWaalsContact O-CB 3.27Å; W3-T6 WeakPolarHBondContact O-CB 3.4Å; W3-T6 PolarHBondContact O-N 3.25Å; W3-T6 PolarHBondContact O-OG1 2.87Å; W3-G31 VanDerWaalsContact CD1-CA 3.42Å; W3-G31 VanDerWaalsContact CG-CA 3.45Å; W3-N32 VanDerWaalsContact CD2-N 3.33Å; W3-N32 VanDerWaalsContact CH2-CA 3.49Å; W3-N32 HydrophobicContact CH2-CB 4.19Å; W3-N32 HydrophobicContact CZ2-CB 3.49Å; W3-N32 VanDerWaalsContact CZ2-CB 3.49Å; W3-E36 HydrophobicContact CE3-CB 3.84Å; W3-E36 HydrophobicContact CZ3-CB 3.88Å; W3-K37 VanDerWaalsContact CE3-C 3.4Å; W3-P38 CarbonylContact C-O 3.55Å; W3-P38 HydrophobicContact CE3-CG 4.4Å; W3-P38 HydrophobicContact CH2-CG 4.27Å; W3-P38 HydrophobicContact CZ3-CG 4.11Å
4	A	95.2	Very high	93.8	Very high	36 Å²	36	76.1 Å²	76.1	30%	0.298	47%	0.47	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-32.4	-177	0	0	0	0	0	112.8	K37 P38 E40	A4-K37 VanDerWaalsContact CB-O 3.22Å; A4-K37 WeakPolarHBondContact CB-O 3.28Å; A4-K37 PolarHBondContact N-O 3.35Å; A4-P38 PolarHBondContact N-O 3.3Å; A4-P38 VanDerWaalsContact N-O 3.09Å; A4-E40 HydrophobicContact CB-CB 4.46Å; A4-E40 HydrophobicContact CB-CG 3.84Å
5	K	93.9	Very high	94	Very high	118 Å²	118	79.9 Å²	79.9	51%	0.513	49%	0.486	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-14	177.2	-67.2	-175.2	-175.8	168	0	114.3	W3 T7 P29 E36	W3-K5 PolarHBondContact O-N 2.76Å; W3-K5 VanDerWaalsContact O-N 3.09Å; K5-T7 PolarHBondContact O-N 3.11Å; K5-P29 HydrophobicContact CB-CG 4Å; K5-P29 WeakPolarHBondContact O-CD 3.34Å; K5-P29 WeakPolarHBondContact O-CG 3.27Å; K5-E36 WeakPolarHBondContact CD-OE1 3.44Å; K5-E36 WeakPolarHBondContact CE-OE1 3.32Å; K5-E36 IonicContact NZ-OE1 2.96Å; K5-E36 PolarHBondContact NZ-OE1 2.95Å
6	T	95.2	Very high	94	Very high	29 Å²	29	75.8 Å²	75.8	18%	0.178	46%	0.461	C	S	.	.			trans	-64.9	121.6	-179.6	-61.4	0	0	0	0	109.6	W3 D8 Y27 P29	W3-T6 PolarHBondContact N-OG1 3.16Å; W3-T6 VanDerWaalsContact N-OG1 3.13Å; W3-T6 VanDerWaalsContact O-CB 3.27Å; W3-T6 WeakPolarHBondContact O-CB 3.4Å; W3-T6 PolarHBondContact O-N 3.25Å; W3-T6 PolarHBondContact O-OG1 2.87Å; T6-D8 WeakPolarHBondContact CG2-O 3.45Å; T6-Y27 HydrophobicContact CG2-CD1 3.99Å; T6-Y27 HydrophobicContact CG2-CG 4.35Å; T6-P29 PolarHBondContact OG1-O 3.17Å
7	T	94.6	Very high	94	Very high	111 Å²	111	78.9 Å²	78.9	68%	0.681	48%	0.483	S	S	*	.			trans	-105.7	-28.8	179	47	0	0	0	0	112.4	K5 G28	K5-T7 PolarHBondContact O-N 3.11Å; T7-G28 PolarHBondContact N-O 3.36Å; T7-G28 PolarHBondContact OG1-O 3.16Å
8	D	94.7	Very high	94.1	Very high	108 Å²	108	83.6 Å²	83.6	58%	0.578	49%	0.491	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.5	141.5	-170.9	-57.2	-81.8	0	0	0	110.7	T6 Y27 G28	T6-D8 WeakPolarHBondContact CG2-O 3.45Å; D8-Y27 WeakPolarHBondContact O-CA 3.5Å; D8-G28 PolarHBondContact N-O 3.43Å; D8-G28 PolarHBondContact O-N 2.88Å
9	I	95.9	Very high	93.9	Very high	106 Å²	106	88.1 Å²	88.1	54%	0.544	50%	0.5	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	131	173.4	-172.3	177.6	0	0	0	109.6	C25 N26 Y27	I9-C25 HydrophobicContact CD1-CB 4.37Å; I9-C25 HydrophobicContact CG1-CB 4.4Å; I9-N26 WeakPolarHBondContact CA-O 3.49Å; I9-Y27 HydrophobicContact CB-CD1 4.4Å; I9-Y27 HydrophobicContact CD1-CD1 4.04Å; I9-Y27 HydrophobicContact CD1-CE1 3.4Å; I9-Y27 HydrophobicContact CG1-CD1 4.04Å; I9-Y27 HydrophobicContact CG1-CE1 3.89Å
10	G	96.3	Very high	94	Very high	45 Å²	45	85.2 Å²	85.2	46%	0.464	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	124.8	173.3	0	0	0	0	0	110.3	C25 N26	G10-C25 CarbonylContact O-C 3.53Å; G10-C25 WeakPolarHBondContact O-CA 3.4Å; G10-N26 PolarHBondContact N-O 3.41Å; G10-N26 PolarHBondContact O-N 3.13Å
11	C	96.8	Very high	94.1	Very high	71 Å²	71	87.1 Å²	87.1	48%	0.48	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	136.6	177.8	-58.2	0	0	0	0	111.2	I23 V24 C25	C11-I23 HydrophobicContact CB-CG2 4.44Å; C11-V24 CarbonylContact C-O 3.35Å; C11-V24 VanDerWaalsContact CA-O 3.28Å; C11-V24 WeakPolarHBondContact CA-O 3.49Å; C11-C25 HydrophobicContact CB-CB 4.13Å; C11-C25 WeakPolarHBondContact CB-SG 3.18Å; C11-C25 WeakPolarHBondContact SG-CB 3.15Å; C11-C25 CovalentContact SG-SG 2.05Å; C11-C25 PolarHBondContact SG-SG 3.09Å
12	G	95.7	Very high	94.7	Very high	44 Å²	44	81.5 Å²	81.5	45%	0.454	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	143.1	168.6	0	0	0	0	0	110.3	I23 V24	G12-I23 WeakPolarHBondContact O-CA 3.45Å; G12-V24 PolarHBondContact N-O 2.89Å; G12-V24 PolarHBondContact O-N 3.09Å
13	V	96.1	Very high	95.1	Very high	97 Å²	97	83.8 Å²	83.8	59%	0.588	48%	0.479	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.2	133	176	-176.2	0	0	0	0	108.6	L21 S22 I23	V13-L21 HydrophobicContact CG1-CD1 3.47Å; V13-L21 VanDerWaalsContact CG1-CD1 3.47Å; V13-L21 HydrophobicContact CG1-CG 4.4Å; V13-S22 WeakPolarHBondContact CA-O 3.22Å; V13-I23 HydrophobicContact CG1-CG1 4.25Å; V13-I23 HydrophobicContact CG2-CG1 4.1Å; V13-I23 HydrophobicContact CG2-CG2 4.3Å
14	A	95	Very high	95.1	Very high	52 Å²	52	86.6 Å²	86.6	43%	0.43	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	145.9	174.7	0	0	0	0	0	110.1	S22	A14-S22 PolarHBondContact N-O 3.27Å; A14-S22 PolarHBondContact O-N 3.04Å
15	N	96.5	Very high	95.1	Very high	132 Å²	132	86.9 Å²	86.9	71%	0.706	50%	0.498	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.1	115.2	166.5	-170.2	25.3	0	0	0	108.7	G20 L21	N15-G20 WeakPolarHBondContact OD1-CA 3.49Å; N15-G20 PolarHBondContact OD1-O 3.13Å; N15-L21 PolarHBondContact OD1-N 2.62Å
16	C	94.2	Very high	95.2	Very high	14 Å²	14	87 Å²	87	10%	0.095	51%	0.505	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	128.6	-174.8	-65.9	0	0	0	0	109.8	R18 Y19 G20	C16-R18 PolarHBondContact O-N 3.04Å; C16-Y19 HydrophobicContact CB-CD2 4.15Å; C16-Y19 PolarHBondContact O-N 3.3Å; C16-G20 PolarHBondContact N-O 2.98Å; C16-G20 WeakPolarHBondContact O-CA 3.45Å; C16-G20 PolarHBondContact O-N 3.15Å
17	P	93.5	Very high	95.2	Very high	129 Å²	129	89.3 Å²	89.3	84%	0.838	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	-35.3	-176.1	-29.8	35.5	0	0	0	115.3
18	R	95.4	Very high	95.2	Very high	164 Å²	164	85.4 Å²	85.4	62%	0.619	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	-21.4	178.3	-67.4	-168.9	179.7	-170.4	5.4	114.9	C16 D100	C16-R18 PolarHBondContact O-N 3.04Å; R18-D100 WeakPolarHBondContact CD-OXT 3.31Å; R18-D100 PolarHBondContact NE-OXT 3.06Å; R18-D100 PolarHBondContact NH1-O 2.92Å; R18-D100 VanDerWaalsContact NH1-O 3.12Å; R18-D100 PolarHBondContact NH1-OXT 3.46Å; R18-D100 PolarHBondContact NH2-O 3.46Å; R18-D100 PolarHBondContact NH2-OXT 2.74Å
19	Y	91.7	Very high	95.2	Very high	168 Å²	168	83.4 Å²	83.4	66%	0.659	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.7	-2.4	-169.4	-55.4	-70.3	0	0	0	113.7	C16	C16-Y19 HydrophobicContact CB-CD2 4.15Å; C16-Y19 PolarHBondContact O-N 3.3Å
20	G	94.4	Very high	95.1	Very high	31 Å²	31	80.3 Å²	80.3	32%	0.32	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	63.7	-152.9	-173.6	0	0	0	0	0	112.5	N15 C16 S22	N15-G20 WeakPolarHBondContact OD1-CA 3.49Å; N15-G20 PolarHBondContact OD1-O 3.13Å; C16-G20 PolarHBondContact N-O 2.98Å; C16-G20 WeakPolarHBondContact O-CA 3.45Å; C16-G20 PolarHBondContact O-N 3.15Å; G20-S22 PolarHBondContact O-N 2.86Å; G20-S22 VanDerWaalsContact O-N 3.14Å
21	L	96	Very high	94.9	Very high	125 Å²	125	79.1 Å²	79.1	65%	0.654	47%	0.467	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.7	114.4	176.4	-175.2	69.5	0	0	0	110.3	V13 N15	V13-L21 HydrophobicContact CG1-CD1 3.47Å; V13-L21 VanDerWaalsContact CG1-CD1 3.47Å; V13-L21 HydrophobicContact CG1-CG 4.4Å; N15-L21 PolarHBondContact OD1-N 2.62Å
22	S	95.6	Very high	94.8	Very high	44 Å²	44	81.9 Å²	81.9	31%	0.308	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	133.8	-179.3	-170.8	0	0	0	0	110.3	V13 A14 G20	V13-S22 WeakPolarHBondContact CA-O 3.22Å; A14-S22 PolarHBondContact N-O 3.27Å; A14-S22 PolarHBondContact O-N 3.04Å; G20-S22 PolarHBondContact O-N 2.86Å; G20-S22 VanDerWaalsContact O-N 3.14Å
23	I	95.7	Very high	94.7	Very high	104 Å²	104	88.3 Å²	88.3	53%	0.533	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	126.4	178.7	-53.1	179.4	0	0	0	107.8	C11 G12 V13	C11-I23 HydrophobicContact CB-CG2 4.44Å; G12-I23 WeakPolarHBondContact O-CA 3.45Å; V13-I23 HydrophobicContact CG1-CG1 4.25Å; V13-I23 HydrophobicContact CG2-CG1 4.1Å; V13-I23 HydrophobicContact CG2-CG2 4.3Å
24	V	94.8	Very high	94.7	Very high	91 Å²	91	91 Å²	91	55%	0.552	50%	0.499	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.5	127	177.1	-177.4	0	0	0	0	108.9	C11 G12	C11-V24 CarbonylContact C-O 3.35Å; C11-V24 VanDerWaalsContact CA-O 3.28Å; C11-V24 WeakPolarHBondContact CA-O 3.49Å; G12-V24 PolarHBondContact N-O 2.89Å; G12-V24 PolarHBondContact O-N 3.09Å
25	C	95.5	Very high	94.7	Very high	41 Å²	41	96.5 Å²	96.5	28%	0.277	52%	0.521	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	132.4	178.7	-60	0	0	0	0	111.5	I9 G10 C11 Y27	I9-C25 HydrophobicContact CD1-CB 4.37Å; I9-C25 HydrophobicContact CG1-CB 4.4Å; G10-C25 CarbonylContact O-C 3.53Å; G10-C25 WeakPolarHBondContact O-CA 3.4Å; C11-C25 HydrophobicContact CB-CB 4.13Å; C11-C25 WeakPolarHBondContact CB-SG 3.18Å; C11-C25 WeakPolarHBondContact SG-CB 3.15Å; C11-C25 CovalentContact SG-SG 2.05Å; C11-C25 PolarHBondContact SG-SG 3.09Å; C25-Y27 HydrophobicContact CB-CE2 4Å
26	N	95.4	Very high	94.6	Very high	122 Å²	122	92.2 Å²	92.2	65%	0.652	50%	0.497	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.6	144.2	169.6	-70.2	-31.3	0	0	0	109.9	I9 G10	I9-N26 WeakPolarHBondContact CA-O 3.49Å; G10-N26 PolarHBondContact N-O 3.41Å; G10-N26 PolarHBondContact O-N 3.13Å
27	Y	95.3	Very high	94.6	Very high	77 Å²	77	98.3 Å²	98.3	30%	0.302	52%	0.522	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	125.3	-175.8	-63.7	-94.5	0	0	0	107.8	A2 T6 D8 I9 C25 P29 G30	A2-Y27 HydrophobicContact CB-CD1 3.95Å; A2-Y27 HydrophobicContact CB-CE1 3.87Å; T6-Y27 HydrophobicContact CG2-CD1 3.99Å; T6-Y27 HydrophobicContact CG2-CG 4.35Å; D8-Y27 WeakPolarHBondContact O-CA 3.5Å; I9-Y27 HydrophobicContact CB-CD1 4.4Å; I9-Y27 HydrophobicContact CD1-CD1 4.04Å; I9-Y27 HydrophobicContact CD1-CE1 3.4Å; I9-Y27 HydrophobicContact CG1-CD1 4.04Å; I9-Y27 HydrophobicContact CG1-CE1 3.89Å; C25-Y27 HydrophobicContact CB-CE2 4Å; Y27-P29 CarbonylContact O-C 3.45Å; Y27-G30 WeakPolarHBondContact O-CA 3.44Å; Y27-G30 PolarHBondContact O-N 3.3Å; Y27-G30 VanDerWaalsContact O-N 3.16Å
28	G	95	Very high	94.6	Very high	29 Å²	29	95.4 Å²	95.4	30%	0.299	50%	0.503	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	127.7	-177.6	0	0	0	0	0	111.6	T7 D8	T7-G28 PolarHBondContact N-O 3.36Å; T7-G28 PolarHBondContact OG1-O 3.16Å; D8-G28 PolarHBondContact N-O 3.43Å; D8-G28 PolarHBondContact O-N 2.88Å
29	P	95	Very high	94.6	Very high	66 Å²	66	95.7 Å²	95.7	43%	0.429	51%	0.505	S	S	.	.	S	Bend	cis	-59.1	150.2	-19.2	27.8	-36.7	0	0	0	112	K5 T6 Y27	K5-P29 HydrophobicContact CB-CG 4Å; K5-P29 WeakPolarHBondContact O-CD 3.34Å; K5-P29 WeakPolarHBondContact O-CG 3.27Å; T6-P29 PolarHBondContact OG1-O 3.17Å; Y27-P29 CarbonylContact O-C 3.45Å
30	G	92.7	Very high	94.6	Very high	41 Å²	41	92.9 Å²	92.9	42%	0.423	50%	0.498	S	S	.	.			trans	-69.3	152.3	168	0	0	0	0	0	110	Y27	Y27-G30 WeakPolarHBondContact O-CA 3.44Å; Y27-G30 PolarHBondContact O-N 3.3Å; Y27-G30 VanDerWaalsContact O-N 3.16Å
31	G	93.1	Very high	94.4	Very high	19 Å²	19	97.5 Å²	97.5	20%	0.196	52%	0.52	C	S	.	.			trans	-115.5	-146	172.3	0	0	0	0	0	112.2	W3 W33 E36	W3-G31 VanDerWaalsContact CD1-CA 3.42Å; W3-G31 VanDerWaalsContact CG-CA 3.45Å; G31-W33 VanDerWaalsContact C-N 3.35Å; G31-E36 VanDerWaalsContact CA-OE2 3.28Å; G31-E36 WeakPolarHBondContact CA-OE2 3.42Å
32	N	93.6	Very high	94.1	Very high	129 Å²	129	97 Å²	97	69%	0.69	51%	0.512	S	S	*	.			trans	69.8	33.3	-171.2	-160.6	46.9	0	0	0	113	W3	W3-N32 VanDerWaalsContact CD2-N 3.33Å; W3-N32 VanDerWaalsContact CH2-CA 3.49Å; W3-N32 HydrophobicContact CH2-CB 4.19Å; W3-N32 HydrophobicContact CZ2-CB 3.49Å; W3-N32 VanDerWaalsContact CZ2-CB 3.49Å
33	W	94.9	Very high	93.9	Very high	179 Å²	179	98.1 Å²	98.1	68%	0.678	52%	0.519	S	S	*	.			trans	-95.3	154.3	169.3	-57.7	103.9	0	0	0	110.8	G31 N35 E36	G31-W33 VanDerWaalsContact C-N 3.35Å; W33-N35 PolarHBondContact O-N 3.22Å; W33-E36 HydrophobicContact CB-CG 3.95Å; W33-E36 WeakPolarHBondContact O-CB 3.48Å; W33-E36 PolarHBondContact O-N 3.1Å; W33-E36 VanDerWaalsContact O-N 3.11Å
34	N	96.1	Very high	93.6	Very high	154 Å²	154	103.9 Å²	103.9	82%	0.824	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	134.4	174.3	-71.5	-17	0	0	0	110.4	E36	N34-E36 PolarHBondContact O-N 2.96Å
35	N	94.4	Very high	93.3	Very high	168 Å²	168	105.1 Å²	105.1	90%	0.898	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.5	8	-179.3	-49.8	-52.7	0	0	0	116.2	W33	W33-N35 PolarHBondContact O-N 3.22Å
36	E	94.3	Very high	93	Very high	42 Å²	42	107 Å²	107	20%	0.196	54%	0.539	C	S	.	.			trans	-84.3	158.4	167.7	-67.4	-162.9	155.9	0	0	111.9	W3 K5 G31 W33 N34	W3-E36 HydrophobicContact CE3-CB 3.84Å; W3-E36 HydrophobicContact CZ3-CB 3.88Å; K5-E36 WeakPolarHBondContact CD-OE1 3.44Å; K5-E36 WeakPolarHBondContact CE-OE1 3.32Å; K5-E36 IonicContact NZ-OE1 2.96Å; K5-E36 PolarHBondContact NZ-OE1 2.95Å; G31-E36 VanDerWaalsContact CA-OE2 3.28Å; G31-E36 WeakPolarHBondContact CA-OE2 3.42Å; W33-E36 HydrophobicContact CB-CG 3.95Å; W33-E36 WeakPolarHBondContact O-CB 3.48Å; W33-E36 PolarHBondContact O-N 3.1Å; W33-E36 VanDerWaalsContact O-N 3.11Å; N34-E36 PolarHBondContact O-N 2.96Å
37	K	94	Very high	92.5	Very high	142 Å²	142	104.2 Å²	104.2	62%	0.617	53%	0.529	S	S	*	.			trans	-121.4	139.7	-177.7	-61.2	-177.8	-177.4	179	0	110.2	W3 A4 Y39	W3-K37 VanDerWaalsContact CE3-C 3.4Å; A4-K37 VanDerWaalsContact CB-O 3.22Å; A4-K37 WeakPolarHBondContact CB-O 3.28Å; A4-K37 PolarHBondContact N-O 3.35Å; K37-Y39 WeakPolarHBondContact CB-O 2.93Å; K37-Y39 PolarHBondContact O-N 2.83Å
38	P	94.7	Very high	91.8	Very high	68 Å²	68	103.5 Å²	103.5	44%	0.442	54%	0.535	S	S	.	.	S	Bend	trans	-61.2	-28.4	172.1	-25.7	35.5	0	0	0	113.1	W3 A4	W3-P38 CarbonylContact C-O 3.55Å; W3-P38 HydrophobicContact CE3-CG 4.4Å; W3-P38 HydrophobicContact CH2-CG 4.27Å; W3-P38 HydrophobicContact CZ3-CG 4.11Å; A4-P38 PolarHBondContact N-O 3.3Å; A4-P38 VanDerWaalsContact N-O 3.09Å
39	Y	93.9	Very high	91.1	Very high	170 Å²	170	108.5 Å²	108.5	67%	0.667	55%	0.552	S	S	*	*			trans	-147.3	156.4	178.2	55	-91.6	0	0	0	111.8	K37 V41	K37-Y39 WeakPolarHBondContact CB-O 2.93Å; K37-Y39 PolarHBondContact O-N 2.83Å; Y39-V41 HydrophobicContact CD2-CG2 4.17Å; Y39-V41 HydrophobicContact CE2-CG2 4.1Å
40	E	91.5	Very high	89.9	Confident	108 Å²	108	112 Å²	112	51%	0.505	57%	0.565	S	S	.	*			trans	-108.2	131.9	169.6	-79.5	173.5	-162.3	0	0	109.8	A4 K42	A4-E40 HydrophobicContact CB-CB 4.46Å; A4-E40 HydrophobicContact CB-CG 3.84Å; E40-K42 WeakPolarHBondContact OE2-CE 3.41Å; E40-K42 IonicContact OE2-NZ 3.97Å; E40-K42 PolarHBondContact OE2-NZ 2.76Å
41	V	91	Very high	88.9	Confident	128 Å²	128	117.5 Å²	117.5	78%	0.776	58%	0.579	S	S	*	*	P	Polyproline II helix	trans	-85.2	119.5	171.9	-177.3	0	0	0	0	108	Y39	Y39-V41 HydrophobicContact CD2-CG2 4.17Å; Y39-V41 HydrophobicContact CE2-CG2 4.1Å
42	K	88.9	Confident	87.9	Confident	114 Å²	114	123 Å²	123	50%	0.496	60%	0.604	S	S	.	*	P	Polyproline II helix	trans	-93.4	155.9	171.7	-58.2	-58.3	-179.9	-173.7	0	110.4	E40 M46	E40-K42 WeakPolarHBondContact OE2-CE 3.41Å; E40-K42 IonicContact OE2-NZ 3.97Å; E40-K42 PolarHBondContact OE2-NZ 2.76Å; K42-M46 HydrophobicContact CB-CB 4.38Å; K42-M46 HydrophobicContact CB-SD 3.95Å; K42-M46 HydrophobicContact CG-SD 4.32Å
43	P	92.8	Very high	86.8	Confident	69 Å²	69	120.9 Å²	120.9	45%	0.448	59%	0.592	S	S	.	*	P	Polyproline II helix	trans	-56.9	146.5	176.2	-24.8	34.8	0	0	0	112.4	H45 M46	P43-H45 VanDerWaalsContact CB-CE1 3.49Å; P43-H45 WeakPolarHBondContact CB-CE1 3.45Å; P43-H45 PolarHBondContact O-N 2.93Å; P43-M46 WeakPolarHBondContact O-CB 3.28Å; P43-M46 PolarHBondContact O-N 2.81Å
44	R	88.6	Confident	85.8	Confident	225 Å²	225	116.5 Å²	116.5	85%	0.849	59%	0.587	S	S	*	*	H	α-helix	trans	-54	-31.9	-173.4	-170.7	176	-176.4	-124.1	1.5	114.6	M46 C47	R44-M46 PolarHBondContact O-N 3.17Å; R44-C47 WeakPolarHBondContact O-CB 3.36Å; R44-C47 PolarHBondContact O-N 3.47Å; R44-C47 VanDerWaalsContact O-N 3.16Å
45	H	89.5	Confident	84.3	Confident	117 Å²	117	117.7 Å²	117.7	54%	0.542	58%	0.584	S	S	.	*	H	α-helix	trans	-65.3	-24.2	179.9	69.4	-98.6	0	0	0	113.2	P43 C47	P43-H45 VanDerWaalsContact CB-CE1 3.49Å; P43-H45 WeakPolarHBondContact CB-CE1 3.45Å; P43-H45 PolarHBondContact O-N 2.93Å; H45-C47 VanDerWaalsContact C-N 3.34Å
46	M	87.8	Confident	82.9	Confident	80 Å²	80	115.3 Å²	115.3	39%	0.394	57%	0.572	S	S	.	*	H	α-helix	trans	-73.8	-25.8	176	-65.7	-166.5	179.8	0	0	112.4	K42 P43 R44 S48 M49 M50	K42-M46 HydrophobicContact CB-CB 4.38Å; K42-M46 HydrophobicContact CB-SD 3.95Å; K42-M46 HydrophobicContact CG-SD 4.32Å; P43-M46 WeakPolarHBondContact O-CB 3.28Å; P43-M46 PolarHBondContact O-N 2.81Å; R44-M46 PolarHBondContact O-N 3.17Å; M46-S48 VanDerWaalsContact C-N 3.26Å; M46-S48 PolarHBondContact O-N 3.42Å; M46-M49 WeakPolarHBondContact O-CB 3.08Å; M46-M49 PolarHBondContact O-N 3.38Å; M46-M49 VanDerWaalsContact O-N 3.17Å; M46-M50 PolarHBondContact O-N 3.28Å
47	C	85.6	Confident	81.6	Confident	64 Å²	64	116.6 Å²	116.6	43%	0.432	59%	0.585	S	S	.	*	H	α-helix	trans	-60.2	-39.6	175.6	-60.6	0	0	0	0	111.3	R44 H45 M49 M50 Q51	R44-C47 WeakPolarHBondContact O-CB 3.36Å; R44-C47 PolarHBondContact O-N 3.47Å; R44-C47 VanDerWaalsContact O-N 3.16Å; H45-C47 VanDerWaalsContact C-N 3.34Å; C47-M49 VanDerWaalsContact C-N 3.3Å; C47-M49 PolarHBondContact O-N 3.22Å; C47-M50 PolarHBondContact O-N 3.3Å; C47-Q51 WeakPolarHBondContact O-CG 3.1Å; C47-Q51 PolarHBondContact O-N 3.28Å; C47-Q51 VanDerWaalsContact O-N 3.17Å
48	S	81.4	Confident	80.1	Confident	62 Å²	62	116.7 Å²	116.7	43%	0.434	59%	0.592	S	S	.	*	H	α-helix	trans	-65.2	-32.6	178.2	-58.1	0	0	0	0	112.4	M46 M50 Q51 N52	M46-S48 VanDerWaalsContact C-N 3.26Å; M46-S48 PolarHBondContact O-N 3.42Å; S48-M50 VanDerWaalsContact C-N 3.33Å; S48-M50 PolarHBondContact O-N 3.17Å; S48-Q51 PolarHBondContact O-N 2.96Å; S48-N52 PolarHBondContact O-N 3.46Å; S48-N52 PolarHBondContact O-ND2 2.82Å
49	M	79.1	Confident	78.1	Confident	134 Å²	134	119.6 Å²	119.6	66%	0.66	60%	0.599	S	S	*	*	H	α-helix	trans	-65.1	-37.8	176.7	-65	178.4	171	0	0	111.7	M46 C47	M46-M49 WeakPolarHBondContact O-CB 3.08Å; M46-M49 PolarHBondContact O-N 3.38Å; M46-M49 VanDerWaalsContact O-N 3.17Å; C47-M49 VanDerWaalsContact C-N 3.3Å; C47-M49 PolarHBondContact O-N 3.22Å
50	M	70.4	Confident	76	Confident	140 Å²	140	117.2 Å²	117.2	69%	0.69	60%	0.603	S	S	*	*	H	α-helix	trans	-75.1	-29.7	178.1	-64.4	170.8	68.3	0	0	113	M46 C47 S48 N52 I53	M46-M50 PolarHBondContact O-N 3.28Å; C47-M50 PolarHBondContact O-N 3.3Å; S48-M50 VanDerWaalsContact C-N 3.33Å; S48-M50 PolarHBondContact O-N 3.17Å; M50-N52 VanDerWaalsContact C-N 3.27Å; M50-N52 PolarHBondContact O-N 3.29Å; M50-I53 WeakPolarHBondContact O-CB 3.02Å; M50-I53 PolarHBondContact O-N 2.94Å
51	Q	71.3	Confident	73.9	Confident	155 Å²	155	118.2 Å²	118.2	72%	0.724	61%	0.612	S	S	*	*	H	α-helix	trans	-68.8	-25.7	177.7	-73.6	174.4	-11.4	0	0	113.3	C47 S48 I53	C47-Q51 WeakPolarHBondContact O-CG 3.1Å; C47-Q51 PolarHBondContact O-N 3.28Å; C47-Q51 VanDerWaalsContact O-N 3.17Å; S48-Q51 PolarHBondContact O-N 2.96Å; Q51-I53 VanDerWaalsContact C-N 3.27Å
52	N	72.1	Confident	71.9	Confident	134 Å²	134	117.2 Å²	117.2	72%	0.717	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.2	-3.4	177.2	-72.7	-72.2	0	0	0	113.3	S48 M50 P54	S48-N52 PolarHBondContact O-N 3.46Å; S48-N52 PolarHBondContact O-ND2 2.82Å; M50-N52 VanDerWaalsContact C-N 3.27Å; M50-N52 PolarHBondContact O-N 3.29Å; N52-P54 WeakPolarHBondContact O-CD 3.09Å
53	I	71	Confident	69.8	Low	85 Å²	85	115.2 Å²	115.2	44%	0.436	62%	0.615	S	S	.	*	S	Bend	trans	-71.5	124.2	173.9	-62.8	178.5	0	0	0	108.1	M50 Q51 K55 S57	M50-I53 WeakPolarHBondContact O-CB 3.02Å; M50-I53 PolarHBondContact O-N 2.94Å; Q51-I53 VanDerWaalsContact C-N 3.27Å; I53-K55 PolarHBondContact O-N 2.05Å; I53-S57 WeakPolarHBondContact CG2-OG 3.2Å
54	P	72.8	Confident	67.6	Low	88 Å²	88	119.3 Å²	119.3	57%	0.571	63%	0.627	S	S	*	*			trans	-53.9	126.2	174.8	-23.5	32.4	0	0	0	109.7	N52 N56 S57	N52-P54 WeakPolarHBondContact O-CD 3.09Å; P54-N56 PolarHBondContact O-N 3.43Å; P54-S57 WeakPolarHBondContact O-CB 3.39Å; P54-S57 PolarHBondContact O-N 2.87Å; P54-S57 PolarHBondContact O-OG 3.45Å
55	K	66.1	Low	65.4	Low	179 Å²	179	114.1 Å²	114.1	78%	0.778	62%	0.621	S	S	*	*	G	3₁₀ helix	trans	-52.7	-27.9	178.8	-68.2	179.5	179.9	175.6	0	112.4	I53 S57 L58	I53-K55 PolarHBondContact O-N 2.05Å; K55-S57 VanDerWaalsContact C-N 3.26Å; K55-S57 PolarHBondContact O-N 3.45Å; K55-L58 PolarHBondContact O-N 3.03Å
56	N	64.5	Low	63.3	Low	118 Å²	118	116 Å²	116	63%	0.631	63%	0.63	S	S	*	*	G	3₁₀ helix	trans	-66	-20.3	176	-61.2	66.8	0	0	0	114	P54 L58 Q59	P54-N56 PolarHBondContact O-N 3.43Å; N56-L58 VanDerWaalsContact C-N 3.33Å; N56-Q59 PolarHBondContact O-N 2.6Å
57	S	66.8	Low	61.3	Low	69 Å²	69	117.5 Å²	117.5	48%	0.483	64%	0.636	S	S	.	*	G	3₁₀ helix	trans	-73.6	-25.3	176.2	66.7	0	0	0	0	113.2	I53 P54 K55	I53-S57 WeakPolarHBondContact CG2-OG 3.2Å; P54-S57 WeakPolarHBondContact O-CB 3.39Å; P54-S57 PolarHBondContact O-N 2.87Å; P54-S57 PolarHBondContact O-OG 3.45Å; K55-S57 VanDerWaalsContact C-N 3.26Å; K55-S57 PolarHBondContact O-N 3.45Å
58	L	61.1	Low	58.9	Low	144 Å²	144	118 Å²	118	75%	0.754	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.9	-15.6	174.1	-65.7	179.3	0	0	0	112.6	K55 N56 T60	K55-L58 PolarHBondContact O-N 3.03Å; N56-L58 VanDerWaalsContact C-N 3.33Å; L58-T60 PolarHBondContact O-N 3.01Å
59	Q	53.1	Low	57.2	Low	129 Å²	129	123 Å²	123	60%	0.603	67%	0.668	S	S	*	*			trans	-73.8	77	165.6	-67.2	179.4	13	0	0	107.4	N56 N61	N56-Q59 PolarHBondContact O-N 2.6Å; Q59-N61 PolarHBondContact O-N 3.12Å
60	T	51.5	Low	55.2	Low	120 Å²	120	123.7 Å²	123.7	74%	0.736	67%	0.667	S	S	*	*			trans	-55.8	116.8	158.9	60.1	0	0	0	0	105.4	L58 S62	L58-T60 PolarHBondContact O-N 3.01Å; T60-S62 PolarHBondContact O-N 2.85Å
61	N	46.9	Very low	53.6	Low	129 Å²	129	122.3 Å²	122.3	69%	0.69	67%	0.669	S	S	*	*			trans	-47.7	116.4	179.2	-65.2	-54.3	0	0	0	108.8	Q59 A63 H64	Q59-N61 PolarHBondContact O-N 3.12Å; N61-A63 HydrophobicContact CB-CB 3.96Å; N61-A63 PolarHBondContact O-N 2.85Å; N61-H64 PolarHBondContact O-N 3.05Å
62	S	47.8	Very low	52.4	Low	107 Å²	107	120.4 Å²	120.4	75%	0.748	66%	0.662	S	S	*	*	G	3₁₀ helix	trans	-54.4	-0.7	166.7	-54.5	0	0	0	0	112.9	T60 H64 T65	T60-S62 PolarHBondContact O-N 2.85Å; S62-H64 VanDerWaalsContact C-N 3.31Å; S62-H64 PolarHBondContact O-N 2.86Å; S62-T65 PolarHBondContact O-N 3.35Å
63	A	45.6	Very low	50.7	Low	71 Å²	71	121.5 Å²	121.5	59%	0.587	66%	0.661	S	S	*	*	G	3₁₀ helix	trans	-64.8	-23.5	173.9	0	0	0	0	0	114.3	N61 T65	N61-A63 HydrophobicContact CB-CB 3.96Å; N61-A63 PolarHBondContact O-N 2.85Å; A63-T65 VanDerWaalsContact C-N 3.32Å; A63-T65 PolarHBondContact O-N 3.4Å
64	H	46.5	Very low	49.4	Very low	155 Å²	155	125.9 Å²	125.9	72%	0.718	68%	0.677	S	S	*	*	G	3₁₀ helix	trans	-82.2	-3.7	177.6	-85	-81.9	0	0	0	115	N61 S62 Q66 H67	N61-H64 PolarHBondContact O-N 3.05Å; S62-H64 VanDerWaalsContact C-N 3.31Å; S62-H64 PolarHBondContact O-N 2.86Å; H64-Q66 PolarHBondContact O-N 3.29Å; H64-H67 PolarHBondContact O-N 2.78Å
65	T	42.7	Very low	48.2	Very low	116 Å²	116	125.5 Å²	125.5	71%	0.712	68%	0.676	S	S	*	*	G	3₁₀ helix	trans	-71.8	-14.3	170.9	-47.7	0	0	0	0	112.4	S62 A63 H67	S62-T65 PolarHBondContact O-N 3.35Å; A63-T65 VanDerWaalsContact C-N 3.32Å; A63-T65 PolarHBondContact O-N 3.4Å; T65-H67 VanDerWaalsContact C-N 3.28Å; T65-H67 PolarHBondContact O-N 3.49Å
66	Q	45.5	Very low	47.4	Very low	156 Å²	156	122.1 Å²	122.1	73%	0.729	66%	0.663	S	S	*	*	G	3₁₀ helix	trans	-79.8	-7	174	-64.8	-66.5	-25.2	0	0	113.4	H64	H64-Q66 PolarHBondContact O-N 3.29Å
67	H	44.7	Very low	46.5	Very low	113 Å²	113	120.4 Å²	120.4	52%	0.523	65%	0.651	S	S	.	*	G	3₁₀ helix	trans	-96.6	1.2	-178.1	-135.9	-72.1	0	0	0	114.2	H64 T65 K70	H64-H67 PolarHBondContact O-N 2.78Å; T65-H67 VanDerWaalsContact C-N 3.28Å; T65-H67 PolarHBondContact O-N 3.49Å; H67-K70 VanDerWaalsContact CE1-CD 3.45Å; H67-K70 WeakPolarHBondContact CE1-CD 3.4Å; H67-K70 WeakPolarHBondContact CE1-CE 3.42Å; H67-K70 PolarHBondContact CE1-NZ 2.86Å; H67-K70 VanDerWaalsContact CE1-NZ 3.33Å; H67-K70 WeakPolarHBondContact NE2-CE 3.43Å
68	G	36.3	Very low	45.2	Very low	73 Å²	73	126.4 Å²	126.4	75%	0.753	66%	0.663	S	S	*	*	G	3₁₀ helix	trans	-84.5	-8.2	169.4	0	0	0	0	0	114.4
69	Q	45.6	Very low	44.6	Very low	168 Å²	168	123.9 Å²	123.9	79%	0.785	65%	0.654	S	S	*	*			trans	-126.4	57.7	171.4	-66.6	-177.2	-11.6	0	0	109.5	P71	Q69-P71 VanDerWaalsContact O-CD 3.31Å; Q69-P71 WeakPolarHBondContact O-CD 3.43Å
70	K	36.8	Very low	44.6	Very low	148 Å²	148	120.6 Å²	120.6	64%	0.643	65%	0.645	S	S	*	*			trans	-61.8	122.5	157.3	-102.5	-175.7	171.3	174.1	0	106.3	H67 I72	H67-K70 VanDerWaalsContact CE1-CD 3.45Å; H67-K70 WeakPolarHBondContact CE1-CD 3.4Å; H67-K70 WeakPolarHBondContact CE1-CE 3.42Å; H67-K70 PolarHBondContact CE1-NZ 2.86Å; H67-K70 VanDerWaalsContact CE1-NZ 3.33Å; H67-K70 WeakPolarHBondContact NE2-CE 3.43Å; K70-I72 PolarHBondContact O-N 3.39Å
71	P	37.3	Very low	44.4	Very low	112 Å²	112	122.2 Å²	122.2	73%	0.727	64%	0.637	S	S	*	*			trans	-54.7	121.5	174.8	-21.4	31.3	0	0	0	107.6	Q69 K73	Q69-P71 VanDerWaalsContact O-CD 3.31Å; Q69-P71 WeakPolarHBondContact O-CD 3.43Å; P71-K73 PolarHBondContact O-N 2.73Å
72	I	45.2	Very low	44	Very low	114 Å²	114	121.6 Å²	121.6	59%	0.585	63%	0.634	S	S	*	*			trans	-47.5	112.3	170.1	-66.6	176.4	0	0	0	105.6	K70 K74 E76 E77	K70-I72 PolarHBondContact O-N 3.39Å; I72-K74 PolarHBondContact O-N 3.32Å; I72-E76 WeakPolarHBondContact CA-OE2 3.42Å; I72-E76 HydrophobicContact CG2-CB 3.52Å; I72-E77 HydrophobicContact CG2-CB 4.27Å
73	K	37.6	Very low	43.9	Very low	157 Å²	157	121.4 Å²	121.4	68%	0.683	62%	0.623	S	S	*	*			trans	-63.7	141.4	176.1	-69.9	-174.1	-179.9	-174.9	0	106.2	P71 S75 E76 E77	P71-K73 PolarHBondContact O-N 2.73Å; K73-S75 CarbonylContact O-C 3.54Å; K73-S75 PolarHBondContact O-N 3.35Å; K73-E76 PolarHBondContact N-OE2 2.74Å; K73-E76 WeakPolarHBondContact O-CA 3.45Å; K73-E76 WeakPolarHBondContact O-CB 3.23Å; K73-E76 PolarHBondContact O-N 2.83Å; K73-E77 PolarHBondContact O-N 2.89Å
74	K	43.8	Very low	44	Very low	178 Å²	178	125.1 Å²	125.1	77%	0.774	63%	0.628	S	S	*	*	H	α-helix	trans	-49.1	-22.6	-175.4	-149.2	172.7	-173.9	176.6	0	114.5	I72 R78	I72-K74 PolarHBondContact O-N 3.32Å; K74-R78 PolarHBondContact O-N 2.84Å
75	S	46.2	Very low	43.7	Very low	80 Å²	80	127.2 Å²	127.2	56%	0.559	63%	0.631	S	S	*	*	H	α-helix	trans	-67.8	-41.1	170.2	50.9	0	0	0	0	113.8	K73 E77 R78 V79	K73-S75 CarbonylContact O-C 3.54Å; K73-S75 PolarHBondContact O-N 3.35Å; S75-E77 VanDerWaalsContact C-N 3.3Å; S75-R78 PolarHBondContact O-N 2.99Å; S75-V79 WeakPolarHBondContact O-CG2 3.36Å; S75-V79 PolarHBondContact O-N 3.14Å; S75-V79 VanDerWaalsContact O-N 3.07Å
76	E	50	Low	43.4	Very low	107 Å²	107	124 Å²	124	50%	0.5	62%	0.621	S	S	.	*	H	α-helix	trans	-69.7	-26.8	173.8	-66.7	170.4	147.3	0	0	111.6	I72 K73 V79 S80	I72-E76 WeakPolarHBondContact CA-OE2 3.42Å; I72-E76 HydrophobicContact CG2-CB 3.52Å; K73-E76 PolarHBondContact N-OE2 2.74Å; K73-E76 WeakPolarHBondContact O-CA 3.45Å; K73-E76 WeakPolarHBondContact O-CB 3.23Å; K73-E76 PolarHBondContact O-N 2.83Å; E76-V79 PolarHBondContact O-N 2.79Å; E76-S80 VanDerWaalsContact O-CB 3.23Å; E76-S80 WeakPolarHBondContact O-CB 3.36Å; E76-S80 PolarHBondContact O-N 3.05Å
77	E	46.5	Very low	43.1	Very low	83 Å²	83	124.8 Å²	124.8	39%	0.388	62%	0.617	S	S	.	*	H	α-helix	trans	-65.7	-40.2	171.4	-161.9	-169	158.2	0	0	111.5	I72 K73 S75 S80 R81	I72-E77 HydrophobicContact CG2-CB 4.27Å; K73-E77 PolarHBondContact O-N 2.89Å; S75-E77 VanDerWaalsContact C-N 3.3Å; E77-S80 PolarHBondContact O-N 3.07Å; E77-R81 WeakPolarHBondContact O-CG 3.45Å; E77-R81 PolarHBondContact O-N 3.43Å; E77-R81 IonicContact OE1-CZ 3.63Å; E77-R81 IonicContact OE1-NE 3.15Å; E77-R81 IonicContact OE1-NH2 3.75Å; E77-R81 PolarHBondContact OE1-NH2 2.95Å
78	R	37.8	Very low	42.8	Very low	194 Å²	194	129.9 Å²	129.9	73%	0.732	63%	0.632	S	S	*	*	H	α-helix	trans	-69	-39.8	174.3	-114.4	-177.7	-176.4	-178.9	1.5	112.2	K74 S75 S80 R81 N82	K74-R78 PolarHBondContact O-N 2.84Å; S75-R78 PolarHBondContact O-N 2.99Å; R78-S80 VanDerWaalsContact C-N 3.32Å; R78-R81 PolarHBondContact O-N 3.06Å; R78-N82 WeakPolarHBondContact O-CB 3.46Å; R78-N82 VanDerWaalsContact O-CG 3.29Å; R78-N82 PolarHBondContact O-N 3.41Å
79	V	50.2	Low	42.7	Very low	92 Å²	92	133 Å²	133	56%	0.558	63%	0.63	S	S	*	*	H	α-helix	trans	-63	-41.1	172.6	175.2	0	0	0	0	110.2	S75 E76 N82 M83	S75-V79 WeakPolarHBondContact O-CG2 3.36Å; S75-V79 PolarHBondContact O-N 3.14Å; S75-V79 VanDerWaalsContact O-N 3.07Å; E76-V79 PolarHBondContact O-N 2.79Å; V79-N82 PolarHBondContact O-N 3.41Å; V79-M83 WeakPolarHBondContact O-CB 3.48Å; V79-M83 PolarHBondContact O-N 3.3Å
80	S	51.2	Low	42.3	Very low	59 Å²	59	136 Å²	136	41%	0.413	63%	0.634	S	S	.	*	H	α-helix	trans	-64.2	-41	176.8	-164.9	0	0	0	0	112.6	E76 E77 R78 M83 Q84	E76-S80 VanDerWaalsContact O-CB 3.23Å; E76-S80 WeakPolarHBondContact O-CB 3.36Å; E76-S80 PolarHBondContact O-N 3.05Å; E77-S80 PolarHBondContact O-N 3.07Å; R78-S80 VanDerWaalsContact C-N 3.32Å; S80-M83 PolarHBondContact O-N 2.94Å; S80-Q84 WeakPolarHBondContact O-CG 3.1Å; S80-Q84 PolarHBondContact O-N 2.79Å
81	R	48	Very low	42.2	Very low	154 Å²	154	133.1 Å²	133.1	58%	0.581	63%	0.625	S	S	*	*	H	α-helix	trans	-65.4	-41.6	172.6	-71.9	-174.8	-160.5	-176.6	6.2	112.7	E77 R78 M83 Q84 Y85	E77-R81 WeakPolarHBondContact O-CG 3.45Å; E77-R81 PolarHBondContact O-N 3.43Å; E77-R81 IonicContact OE1-CZ 3.63Å; E77-R81 IonicContact OE1-NE 3.15Å; E77-R81 IonicContact OE1-NH2 3.75Å; E77-R81 PolarHBondContact OE1-NH2 2.95Å; R78-R81 PolarHBondContact O-N 3.06Å; R81-M83 VanDerWaalsContact C-N 3.3Å; R81-M83 PolarHBondContact O-N 3.36Å; R81-Q84 PolarHBondContact O-N 3.33Å; R81-Y85 PolarHBondContact O-N 3.44Å
82	N	39.4	Very low	42.3	Very low	116 Å²	116	135.8 Å²	135.8	62%	0.62	63%	0.633	S	S	*	*	H	α-helix	trans	-68.6	-32.4	176.4	-71.4	-11.1	0	0	0	111.7	R78 V79 Y85 G86	R78-N82 WeakPolarHBondContact O-CB 3.46Å; R78-N82 VanDerWaalsContact O-CG 3.29Å; R78-N82 PolarHBondContact O-N 3.41Å; V79-N82 PolarHBondContact O-N 3.41Å; N82-Y85 PolarHBondContact O-N 3.28Å; N82-G86 PolarHBondContact O-N 3.34Å
83	M	44.4	Very low	41.9	Very low	104 Å²	104	139.4 Å²	139.4	51%	0.512	64%	0.639	S	S	.	*	H	α-helix	trans	-72.6	-33.8	174.3	-156.3	170.5	-160.8	0	0	111.3	V79 S80 R81 R87	V79-M83 WeakPolarHBondContact O-CB 3.48Å; V79-M83 PolarHBondContact O-N 3.3Å; S80-M83 PolarHBondContact O-N 2.94Å; R81-M83 VanDerWaalsContact C-N 3.3Å; R81-M83 PolarHBondContact O-N 3.36Å; M83-R87 WeakPolarHBondContact O-CB 3.47Å; M83-R87 PolarHBondContact O-N 3.33Å
84	Q	47.9	Very low	41.9	Very low	148 Å²	148	137.5 Å²	137.5	69%	0.692	64%	0.64	S	S	*	*	H	α-helix	trans	-64.9	-38	169.8	-80.2	-180	-17	0	0	112.5	S80 R81	S80-Q84 WeakPolarHBondContact O-CG 3.1Å; S80-Q84 PolarHBondContact O-N 2.79Å; R81-Q84 PolarHBondContact O-N 3.33Å
85	Y	39.9	Very low	41.6	Very low	200 Å²	200	138.9 Å²	138.9	78%	0.784	64%	0.642	S	S	*	*	H	α-helix	trans	-73.6	-40.9	175.9	-167.4	-102.4	0	0	0	112.2	R81 N82	R81-Y85 PolarHBondContact O-N 3.44Å; N82-Y85 PolarHBondContact O-N 3.28Å
86	G	36.5	Very low	41.5	Very low	48 Å²	48	140.4 Å²	140.4	50%	0.495	65%	0.65	S	S	.	*	H	α-helix	trans	-76.7	-29.2	-179.7	0	0	0	0	0	115.1	N82 R88	N82-G86 PolarHBondContact O-N 3.34Å; G86-R88 PolarHBondContact O-N 3.44Å
87	R	40.1	Very low	41.3	Very low	172 Å²	172	144.3 Å²	144.3	65%	0.649	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81	4.8	179.4	-159.1	-171.8	-85.9	-164	-4.9	113.1	M83 I89	M83-R87 WeakPolarHBondContact O-CB 3.47Å; M83-R87 PolarHBondContact O-N 3.33Å; R87-I89 PolarHBondContact O-N 3.45Å
88	R	38.2	Very low	41.2	Very low	221 Å²	221	144.8 Å²	144.8	83%	0.834	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.2	-12	167.4	-145.1	-178.9	-163.2	-179	4.9	112.4	G86	G86-R88 PolarHBondContact O-N 3.44Å
89	I	34.8	Very low	41.6	Very low	138 Å²	138	146.7 Å²	146.7	71%	0.708	68%	0.684	S	S	*	*	S	Bend	trans	-97.9	95.3	175.1	-52.2	-59.2	0	0	0	110.3	R87	R87-I89 PolarHBondContact O-N 3.45Å
90	R	36.1	Very low	41.6	Very low	231 Å²	231	149 Å²	149	87%	0.872	69%	0.693	S	S	*	*			trans	46.8	77.6	153	-55.9	178.7	-178.7	175.9	-0.4	117.3
91	D	35.6	Very low	41.1	Very low	88 Å²	88	153.6 Å²	153.6	47%	0.471	71%	0.707	S	S	.	*			trans	-118.4	102.1	146.5	-161.9	-22	0	0	0	107.6	R93	D91-R93 PolarHBondContact O-N 2.78Å; D91-R93 VanDerWaalsContact O-N 3.1Å; D91-R93 IonicContact OD1-CZ 3.73Å; D91-R93 PolarHBondContact OD1-N 2.95Å; D91-R93 IonicContact OD1-NE 2.62Å; D91-R93 PolarHBondContact OD1-NE 2.71Å; D91-R93 VanDerWaalsContact OD1-NE 3.15Å; D91-R93 IonicContact OD1-NH2 2.74Å; D91-R93 IonicContact OD2-CZ 3.85Å; D91-R93 IonicContact OD2-NE 2.76Å; D91-R93 IonicContact OD2-NH2 3.62Å; D91-R93 PolarHBondContact OD2-NH2 3.01Å
92	L	38.7	Very low	40.7	Very low	167 Å²	167	153.5 Å²	153.5	87%	0.874	71%	0.714	S	S	*	*			trans	-71.5	11.5	-179.8	-114.6	120.4	0	0	0	113	V94	L92-V94 PolarHBondContact O-N 3.31Å; L92-V94 VanDerWaalsContact O-N 3.13Å
93	R	37.3	Very low	40.8	Very low	191 Å²	191	155.6 Å²	155.6	72%	0.721	72%	0.719	S	S	*	*			trans	-88.4	64.3	168	-65.3	178.9	-63.9	171.8	4.1	110.2	D91 Y95	D91-R93 PolarHBondContact O-N 2.78Å; D91-R93 VanDerWaalsContact O-N 3.1Å; D91-R93 IonicContact OD1-CZ 3.73Å; D91-R93 PolarHBondContact OD1-N 2.95Å; D91-R93 IonicContact OD1-NE 2.62Å; D91-R93 PolarHBondContact OD1-NE 2.71Å; D91-R93 VanDerWaalsContact OD1-NE 3.15Å; D91-R93 IonicContact OD1-NH2 2.74Å; D91-R93 IonicContact OD2-CZ 3.85Å; D91-R93 IonicContact OD2-NE 2.76Å; D91-R93 IonicContact OD2-NH2 3.62Å; D91-R93 PolarHBondContact OD2-NH2 3.01Å; R93-Y95 VanDerWaalsContact C-N 3.29Å; R93-Y95 PolarHBondContact O-N 3.31Å
94	V	37	Very low	40.6	Very low	116 Å²	116	158.6 Å²	158.6	70%	0.703	73%	0.731	S	S	*	*			trans	-63.4	97.2	160.9	178.3	0	0	0	0	106.3	L92	L92-V94 PolarHBondContact O-N 3.31Å; L92-V94 VanDerWaalsContact O-N 3.13Å
95	Y	37.7	Very low	40.2	Very low	207 Å²	207	159.3 Å²	159.3	81%	0.812	73%	0.734	S	S	*	*			trans	-52	126.6	153.3	-82.1	-88.1	0	0	0	106.5	R93 K97	R93-Y95 VanDerWaalsContact C-N 3.29Å; R93-Y95 PolarHBondContact O-N 3.31Å; Y95-K97 PolarHBondContact O-N 3.39Å
96	P	43.9	Very low	40.2	Very low	112 Å²	112	156.6 Å²	156.6	73%	0.727	73%	0.73	S	S	*	*			trans	-61.1	114.8	-175.4	22.9	-30.7	0	0	0	108	C98	P96-C98 PolarHBondContact O-N 2.8Å
97	K	46.6	Very low	40.4	Very low	190 Å²	190	164.4 Å²	164.4	83%	0.826	75%	0.747	S	S	*	*			trans	-49.6	130.8	159.8	-71.9	-175.8	176	-178	0	106.2	Y95 R99	Y95-K97 PolarHBondContact O-N 3.39Å; K97-R99 PolarHBondContact O-N 3.01Å
98	C	44.3	Very low	40.5	Very low	92 Å²	92	163.8 Å²	163.8	62%	0.622	76%	0.755	S	S	*	*			trans	-48.1	110.9	172.6	-60.7	0	0	0	0	107.2	P96 D100	P96-C98 PolarHBondContact O-N 2.8Å; C98-D100 PolarHBondContact O-N 3.36Å
99	R	45	Very low	40.6	Very low	235 Å²	235	159 Å²	159	89%	0.887	75%	0.748	S	S	*	*			trans	-64.9	133	-177.1	-154.9	177.7	-164.9	174.4	2.6	106.6	K97	K97-R99 PolarHBondContact O-N 3.01Å
100	D	50.8	Low	41.2	Very low	141 Å²	141	160.9 Å²	160.9	75%	0.754	75%	0.752	S	S	*	*			trans	-58.2	0	174.5	-65.1	-66.4	0	0	0	109.6	R18 C98	R18-D100 WeakPolarHBondContact CD-OXT 3.31Å; R18-D100 PolarHBondContact NE-OXT 3.06Å; R18-D100 PolarHBondContact NH1-O 2.92Å; R18-D100 VanDerWaalsContact NH1-O 3.12Å; R18-D100 PolarHBondContact NH1-OXT 3.46Å; R18-D100 PolarHBondContact NH2-O 3.46Å; R18-D100 PolarHBondContact NH2-OXT 2.74Å; C98-D100 PolarHBondContact O-N 3.36Å

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