A0A3Q0KUB0_SCHMA Loading...

Secreted phosphoprotein 1

AlphaFold DB , UniProt , Accession A0A3Q0KUB0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 179 aa.

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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	79.2	Confident	90.2	Very high	220 Å²	220	130.7 Å²	130.7	100%	1.084	63%	0.631	S	S	*	*				0	-49.7	0	-136	170.1	103.7	0	0	112.5	K3 M4	M1-K3 PolarHBondContact O-N 3.36Å; M1-M4 PolarHBondContact O-N 3.36Å; M1-M4 VanDerWaalsContact O-N 3.15Å
2	W	82.5	Confident	90.2	Very high	202 Å²	202	127.3 Å²	127.3	77%	0.765	62%	0.624	S	S	*	*	H	α-helix	trans	-57.9	-38.9	-177.5	-124.7	30.1	0	0	0	115.4	M4 I5 F6	W2-M4 PolarHBondContact O-N 3.32Å; W2-M4 VanDerWaalsContact O-N 3.15Å; W2-I5 VanDerWaalsContact O-CG2 3.29Å; W2-I5 WeakPolarHBondContact O-CG2 3.06Å; W2-I5 PolarHBondContact O-N 2.84Å; W2-F6 HydrophobicContact CD2-CE2 4.21Å; W2-F6 HydrophobicContact CE3-CE2 4.2Å; W2-F6 PolarHBondContact O-N 2.81Å
3	K	90.4	Very high	89.9	Confident	189 Å²	189	128.5 Å²	128.5	82%	0.822	62%	0.619	S	S	*	*	H	α-helix	trans	-55.9	-33.7	176.6	-68.2	-174.4	173.5	-176.6	0	113.6	M1 L7	M1-K3 PolarHBondContact O-N 3.36Å; K3-L7 PolarHBondContact O-N 3.46Å
4	M	91.1	Very high	89.4	Confident	133 Å²	133	124.2 Å²	124.2	66%	0.655	61%	0.605	S	S	*	*	H	α-helix	trans	-72	-31.9	177.9	-64	-61.3	-161.5	0	0	112.4	M1 W2 L8	M1-M4 PolarHBondContact O-N 3.36Å; M1-M4 VanDerWaalsContact O-N 3.15Å; W2-M4 PolarHBondContact O-N 3.32Å; W2-M4 VanDerWaalsContact O-N 3.15Å; M4-L8 WeakPolarHBondContact O-CG 3.48Å; M4-L8 PolarHBondContact O-N 3.16Å; M4-L8 VanDerWaalsContact O-N 3.08Å
5	I	93.3	Very high	88.7	Confident	94 Å²	94	122 Å²	122	48%	0.482	60%	0.597	S	S	.	*	H	α-helix	trans	-68.3	-41.6	178.4	-141.3	79.5	0	0	0	110.8	W2 L8 C9	W2-I5 VanDerWaalsContact O-CG2 3.29Å; W2-I5 WeakPolarHBondContact O-CG2 3.06Å; W2-I5 PolarHBondContact O-N 2.84Å; I5-L8 PolarHBondContact O-N 2.82Å; I5-C9 WeakPolarHBondContact O-CB 3.32Å; I5-C9 PolarHBondContact O-N 2.8Å
6	F	92	Very high	88.2	Confident	132 Å²	132	122.4 Å²	122.4	58%	0.579	60%	0.595	S	S	*	*	H	α-helix	trans	-65.3	-42.6	178.6	-85.8	-80.6	0	0	0	111.5	W2 C9 L10	W2-F6 HydrophobicContact CD2-CE2 4.21Å; W2-F6 HydrophobicContact CE3-CE2 4.2Å; W2-F6 PolarHBondContact O-N 2.81Å; F6-C9 PolarHBondContact O-N 3.09Å; F6-L10 WeakPolarHBondContact O-CB 3.46Å; F6-L10 PolarHBondContact O-N 3.37Å
7	L	92.9	Very high	87.5	Confident	96 Å²	96	120.3 Å²	120.3	50%	0.503	59%	0.586	S	S	.	*	H	α-helix	trans	-63.3	-42.6	177.3	-172	65.6	0	0	0	111.5	K3 L10 I11	K3-L7 PolarHBondContact O-N 3.46Å; L7-L10 PolarHBondContact O-N 2.7Å; L7-I11 HydrophobicContact CD1-CD1 4.46Å; L7-I11 HydrophobicContact CG-CD1 4.01Å; L7-I11 WeakPolarHBondContact O-CD1 3.34Å; L7-I11 VanDerWaalsContact O-CG1 3.24Å; L7-I11 WeakPolarHBondContact O-CG1 3.46Å; L7-I11 PolarHBondContact O-N 3.33Å
8	L	93	Very high	86.6	Confident	107 Å²	107	118.9 Å²	118.9	56%	0.56	59%	0.586	S	S	*	*	H	α-helix	trans	-62.6	-45.7	174.7	-73.6	168.8	0	0	0	111.7	M4 I5 L10 I11 T12	M4-L8 WeakPolarHBondContact O-CG 3.48Å; M4-L8 PolarHBondContact O-N 3.16Å; M4-L8 VanDerWaalsContact O-N 3.08Å; I5-L8 PolarHBondContact O-N 2.82Å; L8-L10 VanDerWaalsContact C-N 3.34Å; L8-L10 PolarHBondContact O-N 3.34Å; L8-I11 PolarHBondContact O-N 3.03Å; L8-T12 WeakPolarHBondContact O-CG2 3.38Å; L8-T12 PolarHBondContact O-N 2.96Å; L8-T12 PolarHBondContact O-OG1 3.15Å
9	C	93.1	Very high	85.5	Confident	76 Å²	76	117.5 Å²	117.5	51%	0.514	59%	0.589	S	S	.	*	H	α-helix	trans	-57.3	-46.9	174.7	-87.2	0	0	0	0	111.7	I5 F6 T12 Y13	I5-C9 WeakPolarHBondContact O-CB 3.32Å; I5-C9 PolarHBondContact O-N 2.8Å; F6-C9 PolarHBondContact O-N 3.09Å; C9-T12 WeakPolarHBondContact CA-OG1 3.3Å; C9-T12 PolarHBondContact O-N 2.88Å; C9-T12 PolarHBondContact O-OG1 3.24Å; C9-Y13 VanDerWaalsContact O-CB 3.23Å; C9-Y13 WeakPolarHBondContact O-CB 3.25Å; C9-Y13 PolarHBondContact O-N 3.15Å
10	L	93.3	Very high	84.1	Confident	105 Å²	105	116.2 Å²	116.2	55%	0.55	58%	0.584	S	S	.	*	H	α-helix	trans	-61.5	-46.5	179.5	-170.5	76.9	0	0	0	111.2	F6 L7 L8 T12 Y13 V14	F6-L10 WeakPolarHBondContact O-CB 3.46Å; F6-L10 PolarHBondContact O-N 3.37Å; L7-L10 PolarHBondContact O-N 2.7Å; L8-L10 VanDerWaalsContact C-N 3.34Å; L8-L10 PolarHBondContact O-N 3.34Å; L10-T12 PolarHBondContact O-N 3.17Å; L10-Y13 PolarHBondContact O-N 3.25Å; L10-V14 WeakPolarHBondContact O-CB 3.44Å; L10-V14 VanDerWaalsContact O-CG2 3.29Å; L10-V14 WeakPolarHBondContact O-CG2 3.48Å; L10-V14 PolarHBondContact O-N 3.4Å
11	I	91.8	Very high	82.8	Confident	84 Å²	84	114.5 Å²	114.5	43%	0.431	58%	0.581	S	S	.	*	H	α-helix	trans	-60.8	-46.9	177.6	-67.8	163.7	0	0	0	110.5	L7 L8 Y13 N15	L7-I11 HydrophobicContact CD1-CD1 4.46Å; L7-I11 HydrophobicContact CG-CD1 4.01Å; L7-I11 WeakPolarHBondContact O-CD1 3.34Å; L7-I11 VanDerWaalsContact O-CG1 3.24Å; L7-I11 WeakPolarHBondContact O-CG1 3.46Å; L7-I11 PolarHBondContact O-N 3.33Å; L8-I11 PolarHBondContact O-N 3.03Å; I11-Y13 VanDerWaalsContact C-N 3.32Å; I11-Y13 PolarHBondContact O-N 3.39Å; I11-N15 WeakPolarHBondContact O-CB 3.48Å; I11-N15 VanDerWaalsContact O-CG 3.26Å; I11-N15 PolarHBondContact O-N 3.18Å; I11-N15 PolarHBondContact O-ND2 2.93Å
12	T	89.9	Confident	81.7	Confident	89 Å²	89	107 Å²	107	55%	0.546	55%	0.548	S	S	.	.	H	α-helix	trans	-65.5	-36.2	178.2	53.5	0	0	0	0	112.5	L8 C9 L10 N15 F16	L8-T12 WeakPolarHBondContact O-CG2 3.38Å; L8-T12 PolarHBondContact O-N 2.96Å; L8-T12 PolarHBondContact O-OG1 3.15Å; C9-T12 WeakPolarHBondContact CA-OG1 3.3Å; C9-T12 PolarHBondContact O-N 2.88Å; C9-T12 PolarHBondContact O-OG1 3.24Å; L10-T12 PolarHBondContact O-N 3.17Å; T12-N15 PolarHBondContact O-N 3.28Å; T12-F16 WeakPolarHBondContact O-CB 3.12Å; T12-F16 PolarHBondContact O-N 3.35Å
13	Y	85.9	Confident	80.2	Confident	143 Å²	143	99.9 Å²	99.9	56%	0.561	53%	0.527	S	S	*	.	H	α-helix	trans	-67.4	-50.1	177.8	-178.9	-107.2	0	0	0	110.7	C9 L10 I11 N15 F16 I17	C9-Y13 VanDerWaalsContact O-CB 3.23Å; C9-Y13 WeakPolarHBondContact O-CB 3.25Å; C9-Y13 PolarHBondContact O-N 3.15Å; L10-Y13 PolarHBondContact O-N 3.25Å; I11-Y13 VanDerWaalsContact C-N 3.32Å; I11-Y13 PolarHBondContact O-N 3.39Å; Y13-N15 VanDerWaalsContact C-N 3.27Å; Y13-N15 PolarHBondContact O-N 3.22Å; Y13-F16 WeakPolarHBondContact O-CA 3.34Å; Y13-F16 WeakPolarHBondContact O-CB 3.41Å; Y13-F16 PolarHBondContact O-N 3.25Å; Y13-I17 HydrophobicContact CD1-CD1 3.66Å; Y13-I17 HydrophobicContact CD1-CG1 4.22Å; Y13-I17 HydrophobicContact CE1-CD1 3.3Å; Y13-I17 HydrophobicContact CE1-CG1 4.1Å; Y13-I17 HydrophobicContact CG-CD1 4.46Å; Y13-I17 WeakPolarHBondContact O-CG1 3.13Å; Y13-I17 PolarHBondContact O-N 3.36Å
14	V	82.9	Confident	78.3	Confident	69 Å²	69	98.5 Å²	98.5	42%	0.418	52%	0.523	S	S	.	.	H	α-helix	trans	-56.1	-44.2	175.6	172.5	0	0	0	0	110.6	L10 F16 I17 T18	L10-V14 WeakPolarHBondContact O-CB 3.44Å; L10-V14 VanDerWaalsContact O-CG2 3.29Å; L10-V14 WeakPolarHBondContact O-CG2 3.48Å; L10-V14 PolarHBondContact O-N 3.4Å; V14-F16 VanDerWaalsContact C-N 3.31Å; V14-F16 PolarHBondContact O-N 3.09Å; V14-I17 PolarHBondContact O-N 3.27Å; V14-T18 HydrophobicContact CG1-CG2 4.41Å; V14-T18 VanDerWaalsContact O-CG2 3.3Å; V14-T18 WeakPolarHBondContact O-CG2 3.18Å; V14-T18 PolarHBondContact O-N 3.33Å; V14-T18 PolarHBondContact O-OG1 3.39Å
15	N	79.6	Confident	76.4	Confident	91 Å²	91	95.2 Å²	95.2	49%	0.487	51%	0.513	S	S	.	.	H	α-helix	trans	-62.8	-35.9	175	-73.4	-24.6	0	0	0	112.8	I11 T12 Y13 T18 S19	I11-N15 WeakPolarHBondContact O-CB 3.48Å; I11-N15 VanDerWaalsContact O-CG 3.26Å; I11-N15 PolarHBondContact O-N 3.18Å; I11-N15 PolarHBondContact O-ND2 2.93Å; T12-N15 PolarHBondContact O-N 3.28Å; Y13-N15 VanDerWaalsContact C-N 3.27Å; Y13-N15 PolarHBondContact O-N 3.22Å; N15-T18 WeakPolarHBondContact CA-OG1 3.2Å; N15-T18 PolarHBondContact O-OG1 3.35Å; N15-S19 WeakPolarHBondContact O-CB 3.46Å; N15-S19 PolarHBondContact O-N 2.83Å; N15-S19 PolarHBondContact O-OG 3.22Å
16	F	81.2	Confident	74.3	Confident	129 Å²	129	94.8 Å²	94.8	57%	0.566	51%	0.512	S	S	*	.	H	α-helix	trans	-65.2	-46.4	177.2	180	-101.1	0	0	0	111.8	T12 Y13 V14 T18 S19 N20	T12-F16 WeakPolarHBondContact O-CB 3.12Å; T12-F16 PolarHBondContact O-N 3.35Å; Y13-F16 WeakPolarHBondContact O-CA 3.34Å; Y13-F16 WeakPolarHBondContact O-CB 3.41Å; Y13-F16 PolarHBondContact O-N 3.25Å; V14-F16 VanDerWaalsContact C-N 3.31Å; V14-F16 PolarHBondContact O-N 3.09Å; F16-T18 VanDerWaalsContact C-N 3.32Å; F16-T18 PolarHBondContact O-N 3.13Å; F16-S19 PolarHBondContact O-OG 3.25Å; F16-N20 PolarHBondContact O-N 3.37Å
17	I	76.1	Confident	72.2	Confident	86 Å²	86	95.9 Å²	95.9	44%	0.441	51%	0.513	S	S	.	.	H	α-helix	trans	-68	-32.2	179.2	-3.3	176	0	0	0	112.2	Y13 V14 N20	Y13-I17 HydrophobicContact CD1-CD1 3.66Å; Y13-I17 HydrophobicContact CD1-CG1 4.22Å; Y13-I17 HydrophobicContact CE1-CD1 3.3Å; Y13-I17 HydrophobicContact CE1-CG1 4.1Å; Y13-I17 HydrophobicContact CG-CD1 4.46Å; Y13-I17 WeakPolarHBondContact O-CG1 3.13Å; Y13-I17 PolarHBondContact O-N 3.36Å; V14-I17 PolarHBondContact O-N 3.27Å; I17-N20 CarbonylContact O-C 3.54Å
18	T	70.1	Confident	69.9	Low	96 Å²	96	96.4 Å²	96.4	59%	0.589	52%	0.516	S	S	*	.	H	α-helix	trans	-83.5	-33.9	179.9	58.1	0	0	0	0	113.4	V14 N15 F16	V14-T18 HydrophobicContact CG1-CG2 4.41Å; V14-T18 VanDerWaalsContact O-CG2 3.3Å; V14-T18 WeakPolarHBondContact O-CG2 3.18Å; V14-T18 PolarHBondContact O-N 3.33Å; V14-T18 PolarHBondContact O-OG1 3.39Å; N15-T18 WeakPolarHBondContact CA-OG1 3.2Å; N15-T18 PolarHBondContact O-OG1 3.35Å; F16-T18 VanDerWaalsContact C-N 3.32Å; F16-T18 PolarHBondContact O-N 3.13Å
19	S	66.9	Low	67.8	Low	92 Å²	92	96.4 Å²	96.4	64%	0.643	52%	0.516	S	S	*	.	H	α-helix	trans	-77.9	-27.5	178.2	57.7	0	0	0	0	112.7	N15 F16 P21	N15-S19 WeakPolarHBondContact O-CB 3.46Å; N15-S19 PolarHBondContact O-N 2.83Å; N15-S19 PolarHBondContact O-OG 3.22Å; F16-S19 PolarHBondContact O-OG 3.25Å; S19-P21 VanDerWaalsContact C-CD 3.49Å
20	N	57.6	Low	65.5	Low	91 Å²	91	98.5 Å²	98.5	49%	0.487	52%	0.518	S	S	.	.			trans	-125.1	75.7	174.6	-148.7	3.5	0	0	0	107.8	F16 I17 T22	F16-N20 PolarHBondContact O-N 3.37Å; I17-N20 CarbonylContact O-C 3.54Å; N20-T22 PolarHBondContact O-N 3.15Å
21	P	55.7	Low	63.3	Low	81 Å²	81	96 Å²	96	53%	0.526	51%	0.513	S	S	.	.			trans	-66.4	84.4	164.7	30.9	-30.7	0	0	0	104.6	S19 T23	S19-P21 VanDerWaalsContact C-CD 3.49Å; P21-T23 HydrophobicContact CB-CG2 4.44Å; P21-T23 PolarHBondContact O-N 2.68Å
22	T	56.3	Low	61.3	Low	63 Å²	63	97.8 Å²	97.8	39%	0.387	52%	0.519	S	S	.	.			trans	-65.9	88.5	163.2	-45.6	0	0	0	0	103.3	N20 Q24 Y27	N20-T22 PolarHBondContact O-N 3.15Å; T22-Q24 PolarHBondContact O-N 3.39Å; T22-Q24 VanDerWaalsContact O-N 3.1Å; T22-Y27 HydrophobicContact CG2-CD2 3.6Å; T22-Y27 HydrophobicContact CG2-CE2 3.08Å
23	T	52	Low	59.4	Low	52 Å²	52	95.7 Å²	95.7	32%	0.319	51%	0.511	S	S	.	.			trans	-58.2	127.3	179.9	64.7	0	0	0	0	103.7	P21 S25 D26	P21-T23 HydrophobicContact CB-CG2 4.44Å; P21-T23 PolarHBondContact O-N 2.68Å; T23-S25 WeakPolarHBondContact CB-OG 3.44Å; T23-S25 PolarHBondContact O-N 3.41Å; T23-S25 PolarHBondContact OG1-OG 3.17Å; T23-D26 WeakPolarHBondContact O-CB 3.46Å; T23-D26 PolarHBondContact O-N 3.42Å; T23-D26 PolarHBondContact OG1-N 3.16Å; T23-D26 VanDerWaalsContact OG1-N 3.13Å; T23-D26 PolarHBondContact OG1-OD1 2.81Å; T23-D26 PolarHBondContact OG1-OD2 3.06Å
24	Q	49.3	Very low	57.6	Low	160 Å²	160	93.5 Å²	93.5	75%	0.748	51%	0.509	S	S	*	.	H	α-helix	trans	-55.4	-22.5	175.9	-156.5	-178.8	16.4	0	0	110.1	T22 Y27 L28	T22-Q24 PolarHBondContact O-N 3.39Å; T22-Q24 VanDerWaalsContact O-N 3.1Å; Q24-Y27 PolarHBondContact O-N 3.41Å; Q24-L28 PolarHBondContact O-N 3.18Å; Q24-L28 VanDerWaalsContact O-N 3.17Å
25	S	51.2	Low	55.9	Low	64 Å²	64	95 Å²	95	45%	0.448	52%	0.518	S	S	.	.	H	α-helix	trans	-62.9	-34.3	167.3	49.2	0	0	0	0	114.8	T23 L28 L29	T23-S25 WeakPolarHBondContact CB-OG 3.44Å; T23-S25 PolarHBondContact O-N 3.41Å; T23-S25 PolarHBondContact OG1-OG 3.17Å; S25-L28 PolarHBondContact O-N 3.16Å; S25-L29 WeakPolarHBondContact O-CB 3.3Å; S25-L29 WeakPolarHBondContact O-CG 2.93Å; S25-L29 PolarHBondContact O-N 3.21Å
26	D	49.4	Very low	54.3	Low	85 Å²	85	94.6 Å²	94.6	46%	0.455	52%	0.519	S	S	.	.	H	α-helix	trans	-69.2	-36.8	176.6	-69.1	-32.6	0	0	0	111.4	T23 L28 Q30	T23-D26 WeakPolarHBondContact O-CB 3.46Å; T23-D26 PolarHBondContact O-N 3.42Å; T23-D26 PolarHBondContact OG1-N 3.16Å; T23-D26 VanDerWaalsContact OG1-N 3.13Å; T23-D26 PolarHBondContact OG1-OD1 2.81Å; T23-D26 PolarHBondContact OG1-OD2 3.06Å; D26-L28 VanDerWaalsContact C-N 3.34Å; D26-Q30 WeakPolarHBondContact O-CB 3.33Å; D26-Q30 PolarHBondContact O-N 2.84Å
27	Y	49	Very low	52.7	Low	155 Å²	155	92.9 Å²	92.9	61%	0.608	52%	0.516	S	S	*	.	H	α-helix	trans	-65	-38.8	171.6	-79.4	-64.8	0	0	0	112	T22 Q24 A31	T22-Y27 HydrophobicContact CG2-CD2 3.6Å; T22-Y27 HydrophobicContact CG2-CE2 3.08Å; Q24-Y27 PolarHBondContact O-N 3.41Å; Y27-A31 WeakPolarHBondContact O-CB 3.4Å; Y27-A31 PolarHBondContact O-N 3.32Å
28	L	43.8	Very low	51.1	Low	107 Å²	107	92.7 Å²	92.7	56%	0.56	52%	0.522	S	S	*	.	H	α-helix	trans	-68.3	-45.7	176	-80.3	168.7	0	0	0	111.9	Q24 S25 D26 Q30 A31 E32	Q24-L28 PolarHBondContact O-N 3.18Å; Q24-L28 VanDerWaalsContact O-N 3.17Å; S25-L28 PolarHBondContact O-N 3.16Å; D26-L28 VanDerWaalsContact C-N 3.34Å; L28-Q30 VanDerWaalsContact C-N 3.29Å; L28-Q30 PolarHBondContact O-N 3.09Å; L28-A31 PolarHBondContact O-N 2.87Å; L28-E32 WeakPolarHBondContact O-CG 3.48Å; L28-E32 PolarHBondContact O-N 3.46Å
29	L	48.3	Very low	49.8	Very low	107 Å²	107	94.3 Å²	94.3	56%	0.56	53%	0.528	S	S	*	.	H	α-helix	trans	-65.2	-34	177.2	-73.1	170.9	0	0	0	111.8	S25 A33	S25-L29 WeakPolarHBondContact O-CB 3.3Å; S25-L29 WeakPolarHBondContact O-CG 2.93Å; S25-L29 PolarHBondContact O-N 3.21Å; L29-A33 VanDerWaalsContact O-CB 3.3Å; L29-A33 WeakPolarHBondContact O-CB 3.29Å; L29-A33 PolarHBondContact O-N 3.04Å
30	Q	45.6	Very low	48.8	Very low	119 Å²	119	93.6 Å²	93.6	56%	0.556	52%	0.515	S	S	*	.	H	α-helix	trans	-76.1	-32.2	175.1	-170.8	150.8	65.6	0	0	112.6	D26 L28 E32 A33 N34	D26-Q30 WeakPolarHBondContact O-CB 3.33Å; D26-Q30 PolarHBondContact O-N 2.84Å; L28-Q30 VanDerWaalsContact C-N 3.29Å; L28-Q30 PolarHBondContact O-N 3.09Å; Q30-E32 VanDerWaalsContact C-N 3.35Å; Q30-A33 PolarHBondContact O-N 3Å; Q30-N34 VanDerWaalsContact O-CB 3.25Å; Q30-N34 WeakPolarHBondContact O-CB 3.23Å; Q30-N34 PolarHBondContact O-N 2.68Å; Q30-N34 PolarHBondContact O-ND2 3.43Å
31	A	47.7	Very low	48.1	Very low	52 Å²	52	94.1 Å²	94.1	43%	0.43	52%	0.522	S	S	.	.	H	α-helix	trans	-62.3	-45	169.5	0	0	0	0	0	110.4	Y27 L28 A33 N34 T35	Y27-A31 WeakPolarHBondContact O-CB 3.4Å; Y27-A31 PolarHBondContact O-N 3.32Å; L28-A31 PolarHBondContact O-N 2.87Å; A31-A33 PolarHBondContact O-N 2.94Å; A31-N34 PolarHBondContact O-N 3.03Å; A31-T35 PolarHBondContact O-N 3.5Å; A31-T35 PolarHBondContact O-OG1 2.88Å
32	E	49.1	Very low	47.4	Very low	123 Å²	123	98.2 Å²	98.2	58%	0.575	53%	0.534	S	S	*	.	H	α-helix	trans	-67.4	-36.7	177.4	-69.1	-179.9	-174.4	0	0	112.7	L28 Q30 T36	L28-E32 WeakPolarHBondContact O-CG 3.48Å; L28-E32 PolarHBondContact O-N 3.46Å; Q30-E32 VanDerWaalsContact C-N 3.35Å; E32-T36 PolarHBondContact O-N 3.39Å; E32-T36 PolarHBondContact O-OG1 2.74Å
33	A	49.9	Very low	46.3	Very low	45 Å²	45	102.9 Å²	102.9	37%	0.372	55%	0.551	S	S	.	*	H	α-helix	trans	-70.6	-34.5	175	0	0	0	0	0	112.7	L29 Q30 A31 T36 N37	L29-A33 VanDerWaalsContact O-CB 3.3Å; L29-A33 WeakPolarHBondContact O-CB 3.29Å; L29-A33 PolarHBondContact O-N 3.04Å; Q30-A33 PolarHBondContact O-N 3Å; A31-A33 PolarHBondContact O-N 2.94Å; A33-T36 PolarHBondContact O-N 2.91Å; A33-N37 PolarHBondContact O-N 3.33Å; A33-N37 PolarHBondContact O-ND2 2.82Å
34	N	48.7	Very low	45.9	Very low	97 Å²	97	105.7 Å²	105.7	52%	0.519	56%	0.564	S	S	.	*	H	α-helix	trans	-78	-29.1	179.7	-72.7	-16.9	0	0	0	112.6	Q30 A31 T36 S38	Q30-N34 VanDerWaalsContact O-CB 3.25Å; Q30-N34 WeakPolarHBondContact O-CB 3.23Å; Q30-N34 PolarHBondContact O-N 2.68Å; Q30-N34 PolarHBondContact O-ND2 3.43Å; A31-N34 PolarHBondContact O-N 3.03Å; N34-T36 VanDerWaalsContact C-N 3.34Å; N34-S38 PolarHBondContact O-N 3.13Å
35	T	46.2	Very low	45.6	Very low	99 Å²	99	104.4 Å²	104.4	61%	0.607	57%	0.567	S	S	*	*	H	α-helix	trans	-70.4	-34.7	169.6	-47.5	0	0	0	0	111	A31	A31-T35 PolarHBondContact O-N 3.5Å; A31-T35 PolarHBondContact O-OG1 2.88Å
36	T	46.5	Very low	44.8	Very low	84 Å²	84	103.8 Å²	103.8	52%	0.515	57%	0.57	S	S	.	*	H	α-helix	trans	-73.1	-32.1	178.9	-49	0	0	0	0	112.8	E32 A33 N34 I40	E32-T36 PolarHBondContact O-N 3.39Å; E32-T36 PolarHBondContact O-OG1 2.74Å; A33-T36 PolarHBondContact O-N 2.91Å; N34-T36 VanDerWaalsContact C-N 3.34Å; T36-I40 HydrophobicContact CG2-CD1 4.09Å; T36-I40 WeakPolarHBondContact O-CD1 3.42Å; T36-I40 VanDerWaalsContact O-CG1 3.32Å; T36-I40 WeakPolarHBondContact O-CG1 3.39Å; T36-I40 PolarHBondContact O-N 2.85Å
37	N	46.8	Very low	44.2	Very low	93 Å²	93	108.6 Å²	108.6	50%	0.497	59%	0.59	S	S	.	*	H	α-helix	trans	-78.1	-21.9	178.5	-74.6	-28.4	0	0	0	114.1	A33 T41	A33-N37 PolarHBondContact O-N 3.33Å; A33-N37 PolarHBondContact O-ND2 2.82Å; N37-T41 WeakPolarHBondContact O-CB 3.47Å; N37-T41 PolarHBondContact O-N 2.75Å; N37-T41 VanDerWaalsContact O-N 3.16Å; N37-T41 PolarHBondContact O-OG1 3.23Å
38	S	44.2	Very low	43.8	Very low	81 Å²	81	109.5 Å²	109.5	57%	0.566	60%	0.598	S	S	*	*	H	α-helix	trans	-68.6	-44.1	173.2	-172	0	0	0	0	111.3	N34 I40 T41	N34-S38 PolarHBondContact O-N 3.13Å; S38-I40 VanDerWaalsContact C-N 3.3Å; S38-I40 PolarHBondContact O-N 3.39Å; S38-T41 PolarHBondContact O-N 2.89Å; S38-T41 VanDerWaalsContact O-N 3.17Å
39	D	42.3	Very low	43.5	Very low	131 Å²	131	109.4 Å²	109.4	70%	0.701	60%	0.602	S	S	*	*	H	α-helix	trans	-69.6	-27.3	-179.7	-90.8	-3.5	0	0	0	113.1
40	I	44.5	Very low	43.4	Very low	76 Å²	76	109.7 Å²	109.7	39%	0.39	61%	0.608	S	S	.	*	H	α-helix	trans	-79.2	-26	174.7	-56.2	166.8	0	0	0	111.2	T36 S38 E42 H43 L44	T36-I40 HydrophobicContact CG2-CD1 4.09Å; T36-I40 WeakPolarHBondContact O-CD1 3.42Å; T36-I40 VanDerWaalsContact O-CG1 3.32Å; T36-I40 WeakPolarHBondContact O-CG1 3.39Å; T36-I40 PolarHBondContact O-N 2.85Å; S38-I40 VanDerWaalsContact C-N 3.3Å; S38-I40 PolarHBondContact O-N 3.39Å; I40-E42 VanDerWaalsContact C-N 3.33Å; I40-E42 PolarHBondContact O-N 3.47Å; I40-H43 PolarHBondContact O-N 3.38Å; I40-H43 VanDerWaalsContact O-N 3.13Å; I40-L44 HydrophobicContact CG2-CD1 3.68Å; I40-L44 HydrophobicContact CG2-CG 3.85Å; I40-L44 WeakPolarHBondContact O-CG 3.24Å; I40-L44 PolarHBondContact O-N 2.99Å
41	T	44.2	Very low	43.2	Very low	102 Å²	102	110.5 Å²	110.5	63%	0.626	62%	0.621	S	S	*	*	H	α-helix	trans	-67.3	-32.9	-177.5	-60.9	0	0	0	0	112.2	N37 S38 H43	N37-T41 WeakPolarHBondContact O-CB 3.47Å; N37-T41 PolarHBondContact O-N 2.75Å; N37-T41 VanDerWaalsContact O-N 3.16Å; N37-T41 PolarHBondContact O-OG1 3.23Å; S38-T41 PolarHBondContact O-N 2.89Å; S38-T41 VanDerWaalsContact O-N 3.17Å; T41-H43 VanDerWaalsContact C-N 3.33Å
42	E	40.3	Very low	42.9	Very low	167 Å²	167	115 Å²	115	78%	0.78	63%	0.633	S	S	*	*	H	α-helix	trans	-73.4	-26.8	174.4	-69.5	-159.5	163.7	0	0	112.8	I40 T45	I40-E42 VanDerWaalsContact C-N 3.33Å; I40-E42 PolarHBondContact O-N 3.47Å; E42-T45 PolarHBondContact O-OG1 2.79Å
43	H	34.3	Very low	42.2	Very low	162 Å²	162	116.4 Å²	116.4	75%	0.75	64%	0.641	S	S	*	*	H	α-helix	trans	-89.3	-8	-174.5	-128.5	-72.9	0	0	0	115.2	I40 T41	I40-H43 PolarHBondContact O-N 3.38Å; I40-H43 VanDerWaalsContact O-N 3.13Å; T41-H43 VanDerWaalsContact C-N 3.33Å
44	L	42.3	Very low	41.5	Very low	111 Å²	111	120 Å²	120	58%	0.581	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.5	10.7	178.9	-67.4	178.5	0	0	0	114.5	I40 G46	I40-L44 HydrophobicContact CG2-CD1 3.68Å; I40-L44 HydrophobicContact CG2-CG 3.85Å; I40-L44 WeakPolarHBondContact O-CG 3.24Å; I40-L44 PolarHBondContact O-N 2.99Å; L44-G46 PolarHBondContact O-N 3.29Å
45	T	43.1	Very low	41.1	Very low	133 Å²	133	121 Å²	121	82%	0.816	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.3	-8.2	164.9	52	0	0	0	0	112.8	E42 E47	E42-T45 PolarHBondContact O-OG1 2.79Å; T45-E47 PolarHBondContact O-N 3.17Å
46	G	35.4	Very low	40.7	Very low	50 Å²	50	122.5 Å²	122.5	52%	0.515	69%	0.688	S	S	.	*	S	Bend	trans	-84.1	92	166.4	0	0	0	0	0	112	L44 F48	L44-G46 PolarHBondContact O-N 3.29Å; G46-F48 PolarHBondContact O-N 3.12Å
47	E	37	Very low	40.4	Very low	186 Å²	186	123.7 Å²	123.7	87%	0.869	70%	0.699	S	S	*	*			trans	31.7	60.7	142	-154	176.1	-169.2	0	0	116.3	T45 T49	T45-E47 PolarHBondContact O-N 3.17Å; E47-T49 PolarHBondContact O-N 2.97Å
48	F	40.7	Very low	40.3	Very low	174 Å²	174	124.4 Å²	124.4	76%	0.763	71%	0.707	S	S	*	*			trans	-86.1	103.2	170.6	-169.6	-105.1	0	0	0	109.3	G46 V50	G46-F48 PolarHBondContact O-N 3.12Å; F48-V50 PolarHBondContact O-N 2.69Å
49	T	37.5	Very low	40.3	Very low	106 Å²	106	128.4 Å²	128.4	65%	0.65	72%	0.722	S	S	*	*			trans	-60.7	117.4	176.2	50.6	0	0	0	0	110.6	E47 T51	E47-T49 PolarHBondContact O-N 2.97Å; T49-T51 PolarHBondContact O-N 3.1Å
50	V	45.2	Very low	40.4	Very low	112 Å²	112	127 Å²	127	68%	0.679	72%	0.723	S	S	*	*			trans	-62.6	111.2	175	-177.3	0	0	0	0	109.3	F48 E52	F48-V50 PolarHBondContact O-N 2.69Å; V50-E52 HydrophobicContact CG1-CG 3.63Å; V50-E52 PolarHBondContact O-N 3.2Å
51	T	40.9	Very low	40.4	Very low	136 Å²	136	131.7 Å²	131.7	83%	0.834	74%	0.743	S	S	*	*			trans	-83.4	101.3	159.3	-60.2	0	0	0	0	106.7	T49 M53	T49-T51 PolarHBondContact O-N 3.1Å; T51-M53 PolarHBondContact O-N 2.89Å
52	E	41.1	Very low	40.8	Very low	147 Å²	147	132 Å²	132	69%	0.687	75%	0.747	S	S	*	*			trans	-67.9	121.3	-176.1	-69.3	-170.2	150.1	0	0	112.6	V50	V50-E52 HydrophobicContact CG1-CG 3.63Å; V50-E52 PolarHBondContact O-N 3.2Å
53	M	34.9	Very low	41.3	Very low	152 Å²	152	131 Å²	131	75%	0.749	75%	0.745	S	S	*	*				51.1	113.3	129.9	-51.2	-164.2	-62.3	0	0	120.2	T51	T51-M53 PolarHBondContact O-N 2.89Å
54	S	36.1	Very low	42.4	Very low	120 Å²	120	130.2 Å²	130.2	84%	0.839	75%	0.745	S	S	*	*			trans	-145.3	89.8	139.4	-91.9	0	0	0	0	109.6
55	S	40.2	Very low	42.9	Very low	119 Å²	119	133.3 Å²	133.3	83%	0.832	75%	0.754	S	S	*	*			trans	-97.7	90.3	170.5	-64.1	0	0	0	0	109	S57	S55-S57 VanDerWaalsContact C-N 3.33Å; S55-S57 PolarHBondContact O-N 3.06Å; S55-S57 VanDerWaalsContact O-N 3.15Å
56	T	37.5	Very low	43.4	Very low	130 Å²	130	131.6 Å²	131.6	80%	0.798	75%	0.748	S	S	*	*			trans	-78.8	87.9	163	-7.8	0	0	0	0	107.5	T58	T56-T58 PolarHBondContact O-N 2.71Å
57	S	39.2	Very low	44.1	Very low	109 Å²	109	135.9 Å²	135.9	76%	0.762	76%	0.759	S	S	*	*			trans	-80.5	95	171.7	-177.8	0	0	0	0	108.7	S55 N59	S55-S57 VanDerWaalsContact C-N 3.33Å; S55-S57 PolarHBondContact O-N 3.06Å; S55-S57 VanDerWaalsContact O-N 3.15Å; S57-N59 PolarHBondContact O-N 2.89Å
58	T	46	Very low	44.3	Very low	109 Å²	109	134.4 Å²	134.4	67%	0.669	75%	0.751	S	S	*	*			trans	-83.1	100.1	166.7	50.5	0	0	0	0	108	T56 S60	T56-T58 PolarHBondContact O-N 2.71Å; T58-S60 VanDerWaalsContact C-N 3.29Å; T58-S60 PolarHBondContact O-N 3.48Å
59	N	42.7	Very low	44.9	Very low	164 Å²	164	133.4 Å²	133.4	88%	0.877	75%	0.754	S	S	*	*			trans	-51.3	95.7	159.4	-104.8	-9.6	0	0	0	108.3	S57	S57-N59 PolarHBondContact O-N 2.89Å
60	S	45.6	Very low	45.7	Very low	102 Å²	102	134 Å²	134	71%	0.713	76%	0.758	S	S	*	*			trans	-109.3	104.7	169.5	-61.8	0	0	0	0	106.4	T58	T58-S60 VanDerWaalsContact C-N 3.29Å; T58-S60 PolarHBondContact O-N 3.48Å
61	E	43.3	Very low	45.7	Very low	175 Å²	175	133 Å²	133	82%	0.818	76%	0.762	S	S	*	*			trans	-53.4	133.4	177.7	-156.9	170.9	178	0	0	110.2	I63	E61-I63 PolarHBondContact O-N 2.61Å; E61-I63 VanDerWaalsContact O-N 3.09Å
62	P	53.5	Low	46	Very low	108 Å²	108	131.6 Å²	131.6	70%	0.701	76%	0.757	S	S	*	*			trans	-69	109.1	179.8	25.8	-31.3	0	0	0	109.9	I64	P62-I64 VanDerWaalsContact C-N 3.3Å; P62-I64 PolarHBondContact O-N 3.38Å
63	I	50.8	Low	46.6	Very low	145 Å²	145	131.3 Å²	131.3	74%	0.744	77%	0.765	S	S	*	*			trans	-70.9	86.5	172	-52.6	173.2	0	0	0	107.9	E61 K65	E61-I63 PolarHBondContact O-N 2.61Å; E61-I63 VanDerWaalsContact O-N 3.09Å; I63-K65 HydrophobicContact CG2-CG 3.84Å; I63-K65 PolarHBondContact O-N 2.96Å
64	I	57.8	Low	47.7	Very low	147 Å²	147	132.2 Å²	132.2	75%	0.754	77%	0.767	S	S	*	*			trans	-74.3	93.8	169.1	-55.2	-179.7	0	0	0	107.3	P62 S66	P62-I64 VanDerWaalsContact C-N 3.3Å; P62-I64 PolarHBondContact O-N 3.38Å; I64-S66 PolarHBondContact O-N 2.93Å
65	K	52.6	Low	48.2	Very low	175 Å²	175	134.2 Å²	134.2	76%	0.761	76%	0.763	S	S	*	*			trans	-81	98	161.3	-60.2	-177.2	-178.5	-179.1	0	106.7	I63	I63-K65 HydrophobicContact CG2-CG 3.84Å; I63-K65 PolarHBondContact O-N 2.96Å
66	S	53	Low	48.8	Very low	98 Å²	98	134.5 Å²	134.5	69%	0.685	76%	0.76	S	S	*	*			trans	-115.1	104	164.7	-166.3	0	0	0	0	107	I64 H68	I64-S66 PolarHBondContact O-N 2.93Å; S66-H68 VanDerWaalsContact C-N 3.35Å; S66-H68 PolarHBondContact O-N 3.42Å
67	D	49.9	Very low	49.4	Very low	140 Å²	140	133.4 Å²	133.4	75%	0.749	75%	0.753	S	S	*	*			trans	-66.2	93.4	176.7	-61.4	-44.9	0	0	0	108	D69	D67-D69 PolarHBondContact O-N 3.2Å; D67-D69 VanDerWaalsContact O-N 3.12Å
68	H	40.9	Very low	50.1	Low	154 Å²	154	133 Å²	133	71%	0.713	75%	0.75	S	S	*	*			trans	-80.7	87.9	172.8	-162	-55.1	0	0	0	108.2	S66 T70	S66-H68 VanDerWaalsContact C-N 3.35Å; S66-H68 PolarHBondContact O-N 3.42Å; H68-T70 VanDerWaalsContact C-N 3.26Å; H68-T70 VanDerWaalsContact CE1-CG2 3.41Å; H68-T70 WeakPolarHBondContact CE1-CG2 3.43Å; H68-T70 WeakPolarHBondContact ND1-CG2 3.49Å; H68-T70 PolarHBondContact O-N 3.03Å
69	D	54.5	Low	50.5	Low	154 Å²	154	135 Å²	135	82%	0.824	76%	0.757	S	S	*	*			trans	-67.1	85.6	166.9	-78.1	-32.5	0	0	0	109.1	D67 A71	D67-D69 PolarHBondContact O-N 3.2Å; D67-D69 VanDerWaalsContact O-N 3.12Å; D69-A71 PolarHBondContact O-N 3.06Å
70	T	53.1	Low	51.3	Low	118 Å²	118	136 Å²	136	72%	0.724	76%	0.757	S	S	*	*			trans	-75.6	93.8	165.8	52.2	0	0	0	0	108.8	H68	H68-T70 VanDerWaalsContact C-N 3.26Å; H68-T70 VanDerWaalsContact CE1-CG2 3.41Å; H68-T70 WeakPolarHBondContact CE1-CG2 3.43Å; H68-T70 WeakPolarHBondContact ND1-CG2 3.49Å; H68-T70 PolarHBondContact O-N 3.03Å
71	A	46.5	Very low	51.8	Low	92 Å²	92	136.6 Å²	136.6	76%	0.76	76%	0.757	S	S	*	*			trans	-120	104.2	171.9	0	0	0	0	0	111.5	D69	D69-A71 PolarHBondContact O-N 3.06Å
72	S	46.5	Very low	52.3	Low	105 Å²	105	137.8 Å²	137.8	73%	0.734	76%	0.756	S	S	*	*			trans	68	97.1	147.8	-142.9	0	0	0	0	119.2	E74	S72-E74 PolarHBondContact O-N 3.44Å
73	V	53.6	Low	52.6	Low	141 Å²	141	141 Å²	141	86%	0.855	76%	0.762	S	S	*	*			trans	-71.5	111.6	153.6	175.6	0	0	0	0	107.4
74	E	58.4	Low	53	Low	171 Å²	171	139.1 Å²	139.1	80%	0.799	76%	0.757	S	S	*	*			trans	-91.6	110	160.5	-75.2	-162.8	171.1	0	0	109	S72 V76	S72-E74 PolarHBondContact O-N 3.44Å; E74-V76 PolarHBondContact O-N 3.4Å
75	E	46.4	Very low	53.3	Low	163 Å²	163	139.1 Å²	139.1	76%	0.762	76%	0.757	S	S	*	*			trans	-71.1	112.1	171.3	179.6	-176.9	177.4	0	0	109	T77	E75-T77 HydrophobicContact CG-CG2 4.32Å
76	V	53	Low	53.5	Low	124 Å²	124	136 Å²	136	75%	0.752	75%	0.753	S	S	*	*			trans	-115	90.7	168	-176	0	0	0	0	108.5	E74 S78	E74-V76 PolarHBondContact O-N 3.4Å; V76-S78 PolarHBondContact O-N 3.04Å
77	T	50.8	Low	53.2	Low	107 Å²	107	139.8 Å²	139.8	66%	0.656	76%	0.76	S	S	*	*			trans	-62	115.5	160.3	48.6	0	0	0	0	108.9	E75	E75-T77 HydrophobicContact CG-CG2 4.32Å
78	S	53	Low	53.2	Low	101 Å²	101	138.4 Å²	138.4	71%	0.706	76%	0.761	S	S	*	*			trans	-120.5	95.3	172.6	172	0	0	0	0	110.4	V76	V76-S78 PolarHBondContact O-N 3.04Å
79	N	54.2	Low	53.2	Low	152 Å²	152	138.2 Å²	138.2	81%	0.813	77%	0.765	S	S	*	*			trans	43.7	129.1	140.5	-54.2	-25.1	0	0	0	120.7
80	E	59.6	Low	52.9	Low	185 Å²	185	139.6 Å²	139.6	86%	0.864	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-59.3	159.8	-177.7	-66.3	-156.5	146.2	0	0	116.3
81	P	56.6	Low	52.6	Low	113 Å²	113	139.2 Å²	139.2	73%	0.734	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-64.2	145.5	178.1	25.4	-34.7	0	0	0	113.4
82	Y	53.6	Low	53	Low	200 Å²	200	141.5 Å²	141.5	78%	0.784	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-67.8	129	177.2	48.3	-86.2	0	0	0	111.4	T84	Y82-T84 PolarHBondContact O-N 3.26Å
83	E	59.5	Low	53	Low	177 Å²	177	143 Å²	143	83%	0.827	76%	0.764	S	S	*	*			trans	-75.4	108.1	167.7	-70.4	-75.8	163.2	0	0	109	I85	E83-I85 PolarHBondContact O-N 3.49Å
84	T	60.5	Low	53	Low	104 Å²	104	140.9 Å²	140.9	64%	0.638	75%	0.751	S	S	*	*			trans	-91.6	95.5	167.7	-58.9	0	0	0	0	108.7	Y82 T86	Y82-T84 PolarHBondContact O-N 3.26Å; T84-T86 PolarHBondContact O-N 3.49Å
85	I	64	Low	52.4	Low	148 Å²	148	141.2 Å²	141.2	76%	0.759	75%	0.753	S	S	*	*			trans	-75	109.3	162	40.7	163.9	0	0	0	109	E83	E83-I85 PolarHBondContact O-N 3.49Å
86	T	55.2	Low	52.5	Low	110 Å²	110	141.1 Å²	141.1	68%	0.675	75%	0.752	S	S	*	*			trans	-122.3	96	158.7	-47.1	0	0	0	0	107.6	T84	T84-T86 PolarHBondContact O-N 3.49Å
87	E	47	Very low	52.2	Low	177 Å²	177	142 Å²	142	83%	0.827	75%	0.752	S	S	*	*			trans	-60.2	129.7	162.5	-66.2	175.6	161	0	0	108.6
88	S	49.3	Very low	52.4	Low	111 Å²	111	143.6 Å²	143.6	78%	0.776	76%	0.756	S	S	*	*			trans	-144.9	87.5	162.1	-62.1	0	0	0	0	107	E90	S88-E90 PolarHBondContact O-N 3.33Å
89	D	41.7	Very low	51.8	Low	150 Å²	150	145 Å²	145	80%	0.802	76%	0.755	S	S	*	*			trans	-54.2	118.9	159.5	-83.1	-39.6	0	0	0	109.6
90	E	47.9	Very low	51.6	Low	183 Å²	183	146 Å²	146	86%	0.855	75%	0.753	S	S	*	*			trans	-150	89.2	139.8	-123.3	-170.7	172.3	0	0	109.2	S88 N92	S88-E90 PolarHBondContact O-N 3.33Å; E90-N92 PolarHBondContact O-N 2.98Å
91	T	47.6	Very low	51	Low	110 Å²	110	142.8 Å²	142.8	68%	0.675	75%	0.746	S	S	*	*			trans	-69.4	106.1	164.4	50.7	0	0	0	0	108.2
92	N	54.9	Low	50.7	Low	140 Å²	140	142.4 Å²	142.4	75%	0.749	74%	0.742	S	S	*	*			trans	-107.5	84.8	160.2	-128.7	-23.8	0	0	0	107.8	E90 T94	E90-N92 PolarHBondContact O-N 2.98Å; N92-T94 VanDerWaalsContact C-N 3.33Å; N92-T94 PolarHBondContact O-N 2.86Å
93	D	46.5	Very low	50.3	Low	136 Å²	136	139.7 Å²	139.7	73%	0.727	74%	0.741	S	S	*	*			trans	-60.2	94.5	167.1	-65.7	-40.3	0	0	0	108.2
94	T	52.6	Low	49.9	Very low	97 Å²	97	136.8 Å²	136.8	60%	0.595	73%	0.731	S	S	*	*			trans	-123.2	82.9	161.4	-61.2	0	0	0	0	107.7	N92 H96	N92-T94 VanDerWaalsContact C-N 3.33Å; N92-T94 PolarHBondContact O-N 2.86Å; T94-H96 VanDerWaalsContact C-N 3.25Å; T94-H96 VanDerWaalsContact CG2-CD2 3.46Å; T94-H96 WeakPolarHBondContact CG2-CD2 3.33Å; T94-H96 PolarHBondContact O-N 3.45Å
95	E	46.9	Very low	49.4	Very low	178 Å²	178	140.1 Å²	140.1	83%	0.832	74%	0.739	S	S	*	*			trans	-58.8	84	163.9	-61	-173.7	157.2	0	0	109.9	N97	E95-N97 VanDerWaalsContact C-N 3.35Å
96	H	48.8	Very low	48.8	Very low	161 Å²	161	138 Å²	138	75%	0.745	73%	0.726	S	S	*	*			trans	-99	73.4	157.8	-85.8	-58.3	0	0	0	109.3	T94 L98	T94-H96 VanDerWaalsContact C-N 3.25Å; T94-H96 VanDerWaalsContact CG2-CD2 3.46Å; T94-H96 WeakPolarHBondContact CG2-CD2 3.33Å; T94-H96 PolarHBondContact O-N 3.45Å; H96-L98 VanDerWaalsContact C-N 3.32Å; H96-L98 PolarHBondContact O-N 3.27Å; H96-L98 VanDerWaalsContact O-N 3.09Å
97	N	45.6	Very low	49.1	Very low	142 Å²	142	138.1 Å²	138.1	76%	0.759	73%	0.728	S	S	*	*			trans	-70.3	85.4	163.5	-172.6	14.2	0	0	0	109.1	E95	E95-N97 VanDerWaalsContact C-N 3.35Å
98	L	54.5	Low	49.6	Very low	141 Å²	141	138.6 Å²	138.6	74%	0.738	72%	0.724	S	S	*	*			trans	-127.3	82	162.3	-75.3	174.4	0	0	0	108.6	H96 F100	H96-L98 VanDerWaalsContact C-N 3.32Å; H96-L98 PolarHBondContact O-N 3.27Å; H96-L98 VanDerWaalsContact O-N 3.09Å; L98-F100 VanDerWaalsContact C-N 3.26Å; L98-F100 PolarHBondContact O-N 2.8Å
99	D	41.5	Very low	49.9	Very low	129 Å²	129	140.8 Å²	140.8	69%	0.69	72%	0.722	S	S	*	*			trans	-46.8	85.3	156.2	-177	21	0	0	0	110.7
100	F	49.5	Very low	50.4	Low	175 Å²	175	141.4 Å²	141.4	77%	0.768	72%	0.72	S	S	*	*			trans	-111.9	92.6	158.3	-108.1	-87.5	0	0	0	107.1	L98 T102	L98-F100 VanDerWaalsContact C-N 3.26Å; L98-F100 PolarHBondContact O-N 2.8Å; F100-T102 PolarHBondContact O-N 3.49Å
101	T	46.3	Very low	51	Low	116 Å²	116	139.8 Å²	139.8	71%	0.712	71%	0.712	S	S	*	*			trans	-46.3	85.3	160.9	55.8	0	0	0	0	110.2	D103	T101-D103 VanDerWaalsContact C-N 3.29Å; T101-D103 PolarHBondContact O-N 3.33Å
102	T	51	Low	51.6	Low	106 Å²	106	141.5 Å²	141.5	65%	0.65	72%	0.717	S	S	*	*			trans	-97.1	79.9	161.2	-47.6	0	0	0	0	105.5	F100	F100-T102 PolarHBondContact O-N 3.49Å
103	D	45.1	Very low	52	Low	143 Å²	143	140.9 Å²	140.9	77%	0.765	71%	0.714	S	S	*	*			trans	-45.9	149.5	161.3	-162.2	0	0	0	0	109.6	T101	T101-D103 VanDerWaalsContact C-N 3.29Å; T101-D103 PolarHBondContact O-N 3.33Å
104	N	51.2	Low	52.4	Low	115 Å²	115	141 Å²	141	62%	0.615	71%	0.714	S	S	*	*			trans	92.8	38.2	168.1	-130.5	58.5	0	0	0	119.6	H106	N104-H106 PolarHBondContact ND2-CD2 3.45Å; N104-H106 PolarHBondContact ND2-NE2 3.38Å; N104-H106 PolarHBondContact O-N 2.92Å; N104-H106 PolarHBondContact OD1-NE2 2.85Å
105	H	50.3	Low	52.7	Low	174 Å²	174	144.1 Å²	144.1	81%	0.806	72%	0.722	S	S	*	*			trans	-84.7	88.7	155.5	-75.9	-69.8	0	0	0	110
106	H	51	Low	53.2	Low	103 Å²	103	142.7 Å²	142.7	48%	0.477	72%	0.715	S	S	.	*			trans	-57.1	132.8	166.2	-77	-100.5	0	0	0	109.5	N104 Y108	N104-H106 PolarHBondContact ND2-CD2 3.45Å; N104-H106 PolarHBondContact ND2-NE2 3.38Å; N104-H106 PolarHBondContact O-N 2.92Å; N104-H106 PolarHBondContact OD1-NE2 2.85Å; H106-Y108 VanDerWaalsContact C-N 3.26Å; H106-Y108 HydrophobicContact CB-CE1 4.48Å; H106-Y108 HydrophobicContact CB-CE2 4.09Å; H106-Y108 PolarHBondContact O-N 3.03Å
107	P	60.8	Low	53.5	Low	113 Å²	113	142 Å²	142	73%	0.734	72%	0.717	S	S	*	*			trans	-70.8	90.9	167.1	30.3	-31.4	0	0	0	106.9	E109	P107-E109 PolarHBondContact O-N 3.33Å
108	Y	57.8	Low	54.1	Low	187 Å²	187	142.8 Å²	142.8	73%	0.733	72%	0.716	S	S	*	*			trans	-70.3	89.1	153.6	-56.6	-69.2	0	0	0	105.1	H106 H110	H106-Y108 VanDerWaalsContact C-N 3.26Å; H106-Y108 HydrophobicContact CB-CE1 4.48Å; H106-Y108 HydrophobicContact CB-CE2 4.09Å; H106-Y108 PolarHBondContact O-N 3.03Å; Y108-H110 PolarHBondContact O-N 2.96Å
109	E	56.2	Low	54.4	Low	158 Å²	158	143.8 Å²	143.8	74%	0.738	72%	0.716	S	S	*	*			trans	-48.7	96.6	158.8	-92.5	168.8	154.3	0	0	106.9	P107 H111	P107-E109 PolarHBondContact O-N 3.33Å; E109-H111 VanDerWaalsContact C-N 3.32Å; E109-H111 PolarHBondContact O-N 3.37Å
110	H	51.5	Low	55.1	Low	162 Å²	162	142.7 Å²	142.7	75%	0.75	71%	0.711	S	S	*	*			trans	-68.6	100.3	166.2	-98.5	-90	0	0	0	106	Y108 N112	Y108-H110 PolarHBondContact O-N 2.96Å; H110-N112 PolarHBondContact O-N 3.45Å
111	H	61.9	Low	55.6	Low	150 Å²	150	141.1 Å²	141.1	69%	0.694	71%	0.71	S	S	*	*			trans	-58.4	89.1	156.1	-61	-65.7	0	0	0	106.6	E109 D113	E109-H111 VanDerWaalsContact C-N 3.32Å; E109-H111 PolarHBondContact O-N 3.37Å; H111-D113 VanDerWaalsContact C-N 3.33Å; H111-D113 PolarHBondContact O-N 2.87Å
112	N	58.8	Low	56.2	Low	146 Å²	146	142.5 Å²	142.5	78%	0.781	71%	0.709	S	S	*	*			trans	-80.7	96.6	167.8	-116.7	15	0	0	0	106.1	H110 N114	H110-N112 PolarHBondContact O-N 3.45Å; N112-N114 PolarHBondContact O-N 3.33Å
113	D	63.6	Low	56.7	Low	127 Å²	127	143.1 Å²	143.1	68%	0.679	71%	0.708	S	S	*	*			trans	-57.2	84	169	-59.4	-46.3	0	0	0	109.5	H111 H115	H111-D113 VanDerWaalsContact C-N 3.33Å; H111-D113 PolarHBondContact O-N 2.87Å; D113-H115 PolarHBondContact O-N 3.44Å; D113-H115 VanDerWaalsContact O-N 3.09Å
114	N	55.6	Low	57.7	Low	139 Å²	139	144.3 Å²	144.3	74%	0.743	70%	0.703	S	S	*	*			trans	-84.4	76	166.1	-159.9	40.2	0	0	0	108.9	N112 E116	N112-N114 PolarHBondContact O-N 3.33Å; N114-E116 VanDerWaalsContact C-N 3.33Å; N114-E116 PolarHBondContact O-N 2.9Å
115	H	57.7	Low	58.3	Low	161 Å²	161	148.2 Å²	148.2	75%	0.745	72%	0.717	S	S	*	*			trans	-75.7	80.4	164.3	-81.3	-75.3	0	0	0	109.4	D113	D113-H115 PolarHBondContact O-N 3.44Å; D113-H115 VanDerWaalsContact O-N 3.09Å
116	E	57.8	Low	59	Low	148 Å²	148	146.3 Å²	146.3	69%	0.692	71%	0.708	S	S	*	*			trans	-159.3	91.9	168.9	-112.7	166.1	-148.8	0	0	107.9	N114	N114-E116 VanDerWaalsContact C-N 3.33Å; N114-E116 PolarHBondContact O-N 2.9Å
117	N	56.8	Low	59.9	Low	147 Å²	147	148 Å²	148	79%	0.786	72%	0.721	S	S	*	*			trans	179.5	72.9	144.1	-81.1	-22.3	0	0	0	107.7	E119	N117-E119 PolarHBondContact O-N 3.25Å; N117-E119 VanDerWaalsContact O-N 3.17Å
118	H	57.3	Low	60.5	Low	159 Å²	159	149 Å²	149	74%	0.736	72%	0.716	S	S	*	*			trans	-71.3	85.2	154.9	-79.1	-82.9	0	0	0	107.2	D120	H118-D120 IonicContact ND1-OD1 3.78Å; H118-D120 PolarHBondContact O-N 3.08Å
119	E	59.7	Low	61.4	Low	161 Å²	161	147.7 Å²	147.7	75%	0.752	72%	0.716	S	S	*	*			trans	-84.1	83.9	156.7	-64.8	-85.9	172	0	0	104.7	N117 D121	N117-E119 PolarHBondContact O-N 3.25Å; N117-E119 VanDerWaalsContact O-N 3.17Å; E119-D121 PolarHBondContact O-N 3.38Å
120	D	57	Low	62.1	Low	107 Å²	107	146.9 Å²	146.9	57%	0.572	71%	0.712	S	S	*	*			trans	-66.7	73.3	170.9	-69.5	-40.3	0	0	0	108.6	H118 H122	H118-D120 IonicContact ND1-OD1 3.78Å; H118-D120 PolarHBondContact O-N 3.08Å; D120-H122 VanDerWaalsContact C-N 3.31Å; D120-H122 PolarHBondContact O-CD2 3Å; D120-H122 PolarHBondContact O-N 3.33Å
121	D	59.8	Low	63.2	Low	141 Å²	141	146.3 Å²	146.3	75%	0.754	72%	0.715	S	S	*	*			trans	-82.8	85.2	177.2	-130.2	3.6	0	0	0	109.1	E119 D123	E119-D121 PolarHBondContact O-N 3.38Å; D121-D123 PolarHBondContact O-N 3.27Å
122	H	58.4	Low	63.9	Low	146 Å²	146	146 Å²	146	68%	0.676	71%	0.713	S	S	*	*			trans	-76	72.9	179.8	-71	-72.3	0	0	0	112.7	D120	D120-H122 VanDerWaalsContact C-N 3.31Å; D120-H122 PolarHBondContact O-CD2 3Å; D120-H122 PolarHBondContact O-N 3.33Å
123	D	61.4	Low	64.4	Low	119 Å²	119	148.3 Å²	148.3	64%	0.636	72%	0.719	S	S	*	*			trans	-114.7	87.1	-179.4	-82.9	4.7	0	0	0	114.3	D121	D121-D123 PolarHBondContact O-N 3.27Å
124	Y	66.2	Low	65	Low	167 Å²	167	149.1 Å²	149.1	66%	0.655	72%	0.719	S	S	*	*			trans	64.7	102.2	137.2	-50.6	-63.5	0	0	0	120.1	H126	Y124-H126 WeakPolarHBondContact CB-NE2 3.42Å; Y124-H126 PolarHBondContact O-CD2 3.15Å; Y124-H126 PolarHBondContact O-N 3.15Å
125	E	65	Low	65.7	Low	197 Å²	197	149.6 Å²	149.6	92%	0.921	72%	0.721	S	S	*	*			trans	-65.5	110.4	151.8	-66.7	-178.3	-179.4	0	0	109
126	H	65.7	Low	66.8	Low	134 Å²	134	148.4 Å²	148.4	62%	0.62	72%	0.716	S	S	*	*			trans	-96.3	94.4	174.6	-70.2	-71.9	0	0	0	110.2	Y124 H128	Y124-H126 WeakPolarHBondContact CB-NE2 3.42Å; Y124-H126 PolarHBondContact O-CD2 3.15Å; Y124-H126 PolarHBondContact O-N 3.15Å; H126-H128 AromaticContact ND1-NE2 3.92Å; H126-H128 PolarHBondContact O-N 3.32Å
127	D	68.6	Low	67.6	Low	140 Å²	140	147.9 Å²	147.9	75%	0.749	71%	0.713	S	S	*	*			trans	-80.7	108	165.5	-104.5	-23.8	0	0	0	109.2
128	H	73	Confident	68.5	Low	134 Å²	134	147.8 Å²	147.8	62%	0.62	71%	0.708	S	S	*	*			trans	-118.3	93.6	171.2	-66.3	-43.8	0	0	0	109.2	H126	H126-H128 AromaticContact ND1-NE2 3.92Å; H126-H128 PolarHBondContact O-N 3.32Å
129	Q	77.2	Confident	69.5	Low	158 Å²	158	149.7 Å²	149.7	74%	0.738	71%	0.71	S	S	*	*			trans	-86.1	123.1	167.2	-60.3	-82.3	-51.3	0	0	107.6
130	H	71	Confident	70.3	Confident	142 Å²	142	149.3 Å²	149.3	66%	0.657	71%	0.708	S	S	*	*			trans	-118.6	101.3	173.5	-70.9	-72.7	0	0	0	108.8
131	D	74.8	Confident	71	Confident	150 Å²	150	153.6 Å²	153.6	80%	0.802	72%	0.724	S	S	*	*			trans	-89.3	126	167.1	-77.3	-31.1	0	0	0	109.2
132	H	77.1	Confident	71.5	Confident	143 Å²	143	155.1 Å²	155.1	66%	0.662	73%	0.727	S	S	*	*			trans	-128.3	101.9	172.3	-68	-48.6	0	0	0	108.7
133	E	69.8	Low	72.1	Confident	195 Å²	195	157.3 Å²	157.3	91%	0.911	74%	0.737	S	S	*	*			trans	-88.4	123.9	165.7	-73	179.8	169.1	0	0	108.7
134	H	74.8	Confident	71.9	Confident	143 Å²	143	158.7 Å²	158.7	66%	0.662	74%	0.74	S	S	*	*			trans	-115.1	108.1	172.3	-70.7	-73.8	0	0	0	108.3
135	D	71.5	Confident	71.6	Confident	149 Å²	149	157.4 Å²	157.4	80%	0.797	74%	0.744	S	S	*	*			trans	-98.5	123.9	171.5	-145.6	-3.1	0	0	0	108.4
136	H	79.4	Confident	71.2	Confident	136 Å²	136	154.9 Å²	154.9	63%	0.63	73%	0.732	S	S	*	*			trans	-127.7	100.5	-179	-68.8	-48.4	0	0	0	109.4
137	E	75.4	Confident	70.5	Confident	138 Å²	138	155.2 Å²	155.2	65%	0.645	74%	0.738	S	S	*	*			trans	-83.4	117.5	167.8	-65.2	-175	-174.6	0	0	109.6	Y139	E137-Y139 HydrophobicContact CB-CE2 4.02Å; E137-Y139 WeakPolarHBondContact OE2-CE2 3.29Å; E137-Y139 PolarHBondContact OE2-OH 3.18Å
138	H	76.1	Confident	69.8	Low	145 Å²	145	156.6 Å²	156.6	67%	0.671	74%	0.738	S	S	*	*			trans	-103.3	111.8	171.2	-69.4	-71.6	0	0	0	110.1
139	Y	77.5	Confident	68.7	Low	198 Å²	198	154.9 Å²	154.9	78%	0.776	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-87.4	117.9	167.3	-63.7	-88.7	0	0	0	108.5	E137	E137-Y139 HydrophobicContact CB-CE2 4.02Å; E137-Y139 WeakPolarHBondContact OE2-CE2 3.29Å; E137-Y139 PolarHBondContact OE2-OH 3.18Å
140	H	76	Confident	67.4	Low	154 Å²	154	154.5 Å²	154.5	71%	0.713	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-97.4	118.2	169.6	-70.1	-65.3	0	0	0	109.6
141	E	71.8	Confident	66.4	Low	196 Å²	196	156.8 Å²	156.8	92%	0.916	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-84.3	125.6	172.8	-158.3	166.9	-152.3	0	0	108.8
142	H	72.1	Confident	65	Low	174 Å²	174	154.5 Å²	154.5	81%	0.806	76%	0.756	S	S	*	*			trans	-89.4	113.6	178.5	-69.2	-65.9	0	0	0	110.2	H144	H142-H144 PolarHBondContact O-N 3.33Å
143	E	70.1	Confident	63.5	Low	192 Å²	192	156 Å²	156	90%	0.897	76%	0.761	S	S	*	*			trans	-73.5	110.7	167.8	-74.7	-165.7	168.6	0	0	110.6	N145	E143-N145 PolarHBondContact O-N 2.88Å; E143-N145 VanDerWaalsContact O-N 3.17Å
144	H	57.5	Low	62.5	Low	148 Å²	148	153.3 Å²	153.3	69%	0.685	75%	0.753	S	S	*	*			trans	-84.2	83.5	176.7	-147.9	-58.7	0	0	0	109.5	H142 H146	H142-H144 PolarHBondContact O-N 3.33Å; H144-H146 VanDerWaalsContact C-N 3.3Å; H144-H146 AromaticContact CE1-CD2 3.8Å; H144-H146 AromaticContact CE1-CE1 3.25Å; H144-H146 PolarHBondContact CE1-CE1 3.17Å; H144-H146 AromaticContact CE1-ND1 3.92Å; H144-H146 AromaticContact CE1-NE2 3.15Å; H144-H146 PolarHBondContact CE1-NE2 3.45Å; H144-H146 AromaticContact ND1-CD2 3.28Å; H144-H146 PolarHBondContact ND1-CD2 3.45Å; H144-H146 VanDerWaalsContact ND1-CD2 3.28Å; H144-H146 AromaticContact ND1-CE1 3.51Å; H144-H146 AromaticContact ND1-CG 3.74Å; H144-H146 AromaticContact ND1-ND1 3.86Å; H144-H146 AromaticContact ND1-NE2 3.15Å; H144-H146 PolarHBondContact ND1-NE2 3.02Å; H144-H146 VanDerWaalsContact ND1-NE2 3.15Å; H144-H146 PolarHBondContact O-N 3.39Å
145	N	59.2	Low	60.8	Low	140 Å²	140	154.1 Å²	154.1	75%	0.749	76%	0.762	S	S	*	*			trans	-75.3	85.6	175.4	-163.8	-12	0	0	0	110.8	E143 N147	E143-N145 PolarHBondContact O-N 2.88Å; E143-N145 VanDerWaalsContact O-N 3.17Å; N145-N147 PolarHBondContact O-N 3.22Å; N145-N147 PolarHBondContact OD1-N 3.25Å
146	H	56.9	Low	59.4	Low	143 Å²	143	152.5 Å²	152.5	66%	0.662	76%	0.759	S	S	*	*			trans	-74.1	72.1	163.5	-78.4	-63.8	0	0	0	110	H144 K148	H144-H146 VanDerWaalsContact C-N 3.3Å; H144-H146 AromaticContact CE1-CD2 3.8Å; H144-H146 AromaticContact CE1-CE1 3.25Å; H144-H146 PolarHBondContact CE1-CE1 3.17Å; H144-H146 AromaticContact CE1-ND1 3.92Å; H144-H146 AromaticContact CE1-NE2 3.15Å; H144-H146 PolarHBondContact CE1-NE2 3.45Å; H144-H146 AromaticContact ND1-CD2 3.28Å; H144-H146 PolarHBondContact ND1-CD2 3.45Å; H144-H146 VanDerWaalsContact ND1-CD2 3.28Å; H144-H146 AromaticContact ND1-CE1 3.51Å; H144-H146 AromaticContact ND1-CG 3.74Å; H144-H146 AromaticContact ND1-ND1 3.86Å; H144-H146 AromaticContact ND1-NE2 3.15Å; H144-H146 PolarHBondContact ND1-NE2 3.02Å; H144-H146 VanDerWaalsContact ND1-NE2 3.15Å; H144-H146 PolarHBondContact O-N 3.39Å; H146-K148 PolarHBondContact O-N 3.09Å
147	N	51.7	Low	57.7	Low	142 Å²	142	154 Å²	154	76%	0.759	77%	0.767	S	S	*	*			trans	-82.8	112.3	165.4	-151.9	1.7	0	0	0	110.4	N145	N145-N147 PolarHBondContact O-N 3.22Å; N145-N147 PolarHBondContact OD1-N 3.25Å
148	K	52.6	Low	56.3	Low	169 Å²	169	154 Å²	154	74%	0.735	77%	0.77	S	S	*	*			trans	-65.2	134.8	-172.1	-65.2	172.8	179.3	177	0	110.7	H146 D150	H146-K148 PolarHBondContact O-N 3.09Å; K148-D150 PolarHBondContact O-N 2.86Å
149	A	50.1	Low	54.9	Low	97 Å²	97	153 Å²	153	80%	0.802	77%	0.769	S	S	*	*				49.2	16.3	119.4	0	0	0	0	0	120.3	Q151	A149-Q151 PolarHBondContact O-N 3.41Å
150	D	50.5	Low	53.6	Low	150 Å²	150	150.3 Å²	150.3	80%	0.802	76%	0.763	S	S	*	*			trans	-86.6	16.3	170.8	-111.8	-4	0	0	0	112.9	K148 S152	K148-D150 PolarHBondContact O-N 2.86Å; D150-S152 PolarHBondContact O-N 2.83Å
151	Q	49.8	Very low	52.5	Low	190 Å²	190	151.9 Å²	151.9	89%	0.888	77%	0.768	S	S	*	*			trans	-72	50.9	157.2	-65.1	-166.1	-0.9	0	0	110.8	A149 F153	A149-Q151 PolarHBondContact O-N 3.41Å; Q151-F153 PolarHBondContact O-N 3.17Å; Q151-F153 VanDerWaalsContact O-N 3.16Å
152	S	44.9	Very low	51.5	Low	102 Å²	102	152.6 Å²	152.6	71%	0.713	76%	0.762	S	S	*	*			trans	-80	67.5	158.8	164.7	0	0	0	0	107.6	D150	D150-S152 PolarHBondContact O-N 2.83Å
153	F	45.9	Very low	50.6	Low	175 Å²	175	150.1 Å²	150.1	77%	0.768	76%	0.76	S	S	*	*			trans	-125.4	113.7	167.6	-105.3	-95.9	0	0	0	108.7	Q151	Q151-F153 PolarHBondContact O-N 3.17Å; Q151-F153 VanDerWaalsContact O-N 3.16Å
154	N	48.6	Very low	49.6	Very low	138 Å²	138	151.1 Å²	151.1	74%	0.738	76%	0.755	S	S	*	*	S	Bend	trans	69.7	97.8	160.9	-52.7	-48.8	0	0	0	117.9
155	L	39.5	Very low	49	Very low	161 Å²	161	148 Å²	148	84%	0.843	76%	0.762	S	S	*	*				144.2	109.9	102.3	-152.6	74.3	0	0	0	109.6
156	P	41.9	Very low	48.4	Very low	114 Å²	114	147.3 Å²	147.3	74%	0.74	75%	0.753	S	S	*	*			trans	-74.1	157.4	169.8	29.9	-27.6	0	0	0	110
157	E	43.7	Very low	47.8	Very low	169 Å²	169	147.7 Å²	147.7	79%	0.79	76%	0.755	S	S	*	*			trans	87.3	75.1	158.5	-148.9	168.4	-144.4	0	0	116.8
158	N	45.4	Very low	48	Very low	136 Å²	136	146.9 Å²	146.9	73%	0.727	76%	0.76	S	S	*	*			trans	-144.9	101.2	133.8	-130.8	-51.5	0	0	0	112.3	H160	N158-H160 PolarHBondContact O-N 3.01Å; N158-H160 PolarHBondContact OD1-CE1 2.93Å; N158-H160 VanDerWaalsContact OD1-CE1 3.32Å; N158-H160 PolarHBondContact OD1-ND1 3.29Å
159	I	47.7	Very low	47.9	Very low	126 Å²	126	146 Å²	146	65%	0.646	76%	0.763	S	S	*	*			trans	-66.5	78.8	176.6	-55	161	0	0	0	108.2	K161	I159-K161 HydrophobicContact CG2-CD 4.28Å; I159-K161 HydrophobicContact CG2-CG 3.92Å; I159-K161 PolarHBondContact O-N 2.81Å
160	H	50.2	Low	48	Very low	140 Å²	140	146.7 Å²	146.7	65%	0.648	76%	0.763	S	S	*	*			trans	-94.4	79.1	164.7	-81.1	87.7	0	0	0	109.1	N158 R162	N158-H160 PolarHBondContact O-N 3.01Å; N158-H160 PolarHBondContact OD1-CE1 2.93Å; N158-H160 VanDerWaalsContact OD1-CE1 3.32Å; N158-H160 PolarHBondContact OD1-ND1 3.29Å; H160-R162 PolarHBondContact O-N 2.95Å
161	K	51.5	Low	48.4	Very low	188 Å²	188	145.7 Å²	145.7	82%	0.817	76%	0.762	S	S	*	*			trans	-63	74	159.3	-67.6	-179.5	-178	-179.4	0	108.8	I159 T163	I159-K161 HydrophobicContact CG2-CD 4.28Å; I159-K161 HydrophobicContact CG2-CG 3.92Å; I159-K161 PolarHBondContact O-N 2.81Å; K161-T163 PolarHBondContact O-N 2.9Å
162	R	51.4	Low	48.6	Very low	211 Å²	211	142.9 Å²	142.9	80%	0.796	75%	0.753	S	S	*	*			trans	-97.4	89.1	169.3	-69.4	-172.7	87.9	178.2	4.6	109.4	H160	H160-R162 PolarHBondContact O-N 2.95Å
163	T	54.3	Low	49.6	Very low	122 Å²	122	142.1 Å²	142.1	75%	0.748	75%	0.746	S	S	*	*			trans	48	109.3	132.6	-12.2	0	0	0	0	117.7	K161 G165	K161-T163 PolarHBondContact O-N 2.9Å; T163-G165 PolarHBondContact O-N 3.45Å
164	R	47.6	Very low	50.1	Low	213 Å²	213	142.7 Å²	142.7	80%	0.804	75%	0.748	S	S	*	*			trans	-24.4	86.2	153	-167.5	-178.8	-157.6	160.2	6.1	113.2	K166	R164-K166 HydrophobicContact CG-CG 3.97Å; R164-K166 PolarHBondContact O-N 2.89Å; R164-K166 VanDerWaalsContact O-N 3.09Å
165	G	46.4	Very low	50.7	Low	81 Å²	81	144.8 Å²	144.8	84%	0.835	75%	0.751	S	S	*	*			trans	-65.7	104.6	167.6	0	0	0	0	0	108.4	T163	T163-G165 PolarHBondContact O-N 3.45Å
166	K	46.4	Very low	51.9	Low	127 Å²	127	143.3 Å²	143.3	55%	0.552	75%	0.748	S	S	*	*			trans	-95.4	122	-176.2	-93.6	-112.4	-169.1	175.9	0	107	R164	R164-K166 HydrophobicContact CG-CG 3.97Å; R164-K166 PolarHBondContact O-N 2.89Å; R164-K166 VanDerWaalsContact O-N 3.09Å
167	H	44.9	Very low	52.8	Low	150 Å²	150	145.2 Å²	145.2	69%	0.694	75%	0.752	S	S	*	*			trans	69.8	123.4	158.7	-24	-71.2	0	0	0	118.5
168	S	55.8	Low	52.9	Low	126 Å²	126	146.5 Å²	146.5	88%	0.881	76%	0.755	S	S	*	*				-154.6	131.8	128	-75.4	0	0	0	0	108.1
169	D	50.4	Low	52.9	Low	149 Å²	149	152 Å²	152	80%	0.797	78%	0.783	S	S	*	*			trans	-57.4	156.8	-169.9	-79.7	-56.3	0	0	0	115.5	T171	D169-T171 PolarHBondContact O-N 3.39Å
170	S	50.7	Low	53.1	Low	113 Å²	113	153.4 Å²	153.4	79%	0.79	79%	0.79	S	S	*	*			trans	-51.1	98.7	162.9	53.4	0	0	0	0	111.4	N172	S170-N172 PolarHBondContact O-N 3.43Å
171	T	59.8	Low	53.3	Low	128 Å²	128	154.1 Å²	154.1	79%	0.785	80%	0.797	S	S	*	*			trans	-87.5	96.5	154.3	-54	0	0	0	0	106.6	D169 P173	D169-T171 PolarHBondContact O-N 3.39Å; T171-P173 WeakPolarHBondContact O-CD 3.46Å
172	N	54.2	Low	53.4	Low	131 Å²	131	152.2 Å²	152.2	70%	0.701	80%	0.796	S	S	*	*			trans	-86	101.2	166.2	179.3	2.6	0	0	0	108.3	S170 K174	S170-N172 PolarHBondContact O-N 3.43Å; N172-K174 PolarHBondContact O-N 3.09Å; N172-K174 VanDerWaalsContact O-N 3.09Å
173	P	65.7	Low	53.5	Low	87 Å²	87	148.7 Å²	148.7	57%	0.565	80%	0.796	S	S	*	*			trans	-73.7	102.1	170.3	30.3	-33.2	0	0	0	109	T171 K175	T171-P173 WeakPolarHBondContact O-CD 3.46Å; P173-K175 VanDerWaalsContact C-N 3.25Å; P173-K175 PolarHBondContact O-N 3.3Å
174	K	56.9	Low	53.4	Low	187 Å²	187	150.4 Å²	150.4	81%	0.813	80%	0.799	S	S	*	*			trans	-57.6	91.9	156.2	-79.7	179.4	175.7	176.8	0	108.4	N172 V176	N172-K174 PolarHBondContact O-N 3.09Å; N172-K174 VanDerWaalsContact O-N 3.09Å; K174-V176 VanDerWaalsContact C-N 3.33Å; K174-V176 PolarHBondContact O-N 2.89Å
175	K	60.1	Low	53.8	Low	182 Å²	182	146.2 Å²	146.2	79%	0.791	80%	0.799	S	S	*	*			trans	-85.5	84.8	163.5	-73.2	-170.1	-179.1	-178.1	0	108	P173 N177	P173-K175 VanDerWaalsContact C-N 3.25Å; P173-K175 PolarHBondContact O-N 3.3Å; K175-N177 PolarHBondContact O-N 3.43Å; K175-N177 VanDerWaalsContact O-N 3.16Å
176	V	64.8	Low	54.4	Low	129 Å²	129	150.9 Å²	150.9	78%	0.782	80%	0.797	S	S	*	*			trans	-66.3	100.1	157.1	-88.1	0	0	0	0	107	K174 K178	K174-V176 VanDerWaalsContact C-N 3.33Å; K174-V176 PolarHBondContact O-N 2.89Å; V176-K178 PolarHBondContact O-N 2.75Å
177	N	60.8	Low	55	Low	154 Å²	154	152.7 Å²	152.7	82%	0.824	82%	0.815	S	S	*	*			trans	-69.4	112.4	164.6	-98	18.9	0	0	0	107.6	K175	K175-N177 PolarHBondContact O-N 3.43Å; K175-N177 VanDerWaalsContact O-N 3.16Å
178	K	45.4	Very low	55.8	Low	197 Å²	197	152.9 Å²	152.9	86%	0.857	83%	0.825	S	S	*	*			trans	-68.7	120.5	157.5	-77.8	174.6	171.3	178.3	0	107.9	V176	V176-K178 PolarHBondContact O-N 2.75Å
179	L	45.2	Very low	55.8	Low	252 Å²	252	155.4 Å²	155.4	100%	1.319	82%	0.82	S	S	*	*			trans	-166.6	0	141	-102.7	150.6	0	0	0	108.1

Retrieved 179 of 179 residues in 48.1 ms (Link to these results)

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