A0AA82N844_SCHMA Loading...

Uncharacterized protein AlphaSync

AlphaFold DB , UniProt , Accession A0AA82N844, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 296 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters 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	55.2	Low	68.1	Low	248 Å²	248	113.3 Å²	113.3	100%	1.222	62%	0.617	S	S	*	*				0	120.3	0	-136.4	169.6	-171.3	0	0	105.8
2	A	58.8	Low	68	Low	97 Å²	97	109.4 Å²	109.4	80%	0.802	59%	0.594	S	S	*	*	P	Polyproline II helix	trans	-76.8	137.5	176.2	0	0	0	0	0	109.1
3	L	66.4	Low	68.2	Low	111 Å²	111	108.5 Å²	108.5	58%	0.581	58%	0.584	S	S	*	*	P	Polyproline II helix	trans	-69.5	138.2	170	-68.8	169.4	0	0	0	108.9	Q7	L3-Q7 HydrophobicContact CB-CB 4.32Å; L3-Q7 HydrophobicContact CD2-CB 4Å
4	T	75.1	Confident	68.4	Low	74 Å²	74	111.5 Å²	111.5	45%	0.454	58%	0.583	S	S	.	*	P	Polyproline II helix	trans	-71.9	160	167.2	61.7	0	0	0	0	110.2	D6 Q7 F8	T4-D6 PolarHBondContact O-N 3.23Å; T4-Q7 WeakPolarHBondContact O-CB 3.5Å; T4-Q7 PolarHBondContact O-N 3.08Å; T4-Q7 VanDerWaalsContact OG1-CG 3.27Å; T4-Q7 WeakPolarHBondContact OG1-CG 3.45Å; T4-Q7 PolarHBondContact OG1-N 3.31Å; T4-Q7 PolarHBondContact OG1-OE1 3.32Å; T4-F8 PolarHBondContact O-N 3.23Å
5	S	72.2	Confident	68.3	Low	96 Å²	96	110.7 Å²	110.7	67%	0.671	58%	0.575	S	S	*	*	H	α-helix	trans	-54.7	-43.4	177.2	-162.3	0	0	0	0	111.6	Q7 F8 Q9	S5-Q7 VanDerWaalsContact C-N 3.34Å; S5-Q7 PolarHBondContact O-N 2.98Å; S5-F8 PolarHBondContact O-N 2.69Å; S5-Q9 PolarHBondContact O-N 2.78Å
6	D	76	Confident	68.4	Low	124 Å²	124	106.6 Å²	106.6	66%	0.663	55%	0.552	S	S	*	*	H	α-helix	trans	-59.9	-40.2	176.9	-46.9	-9.7	0	0	0	112.5	T4 L10	T4-D6 PolarHBondContact O-N 3.23Å; D6-L10 VanDerWaalsContact O-CB 3.31Å; D6-L10 WeakPolarHBondContact O-CB 3.05Å; D6-L10 PolarHBondContact O-N 2.72Å
7	Q	71.3	Confident	68.7	Low	99 Å²	99	108.5 Å²	108.5	46%	0.463	56%	0.558	S	S	.	*	H	α-helix	trans	-68.6	-35.2	177.5	-74.2	170.9	-20.8	0	0	112.1	L3 T4 S5 L11	L3-Q7 HydrophobicContact CB-CB 4.32Å; L3-Q7 HydrophobicContact CD2-CB 4Å; T4-Q7 WeakPolarHBondContact O-CB 3.5Å; T4-Q7 PolarHBondContact O-N 3.08Å; T4-Q7 VanDerWaalsContact OG1-CG 3.27Å; T4-Q7 WeakPolarHBondContact OG1-CG 3.45Å; T4-Q7 PolarHBondContact OG1-N 3.31Å; T4-Q7 PolarHBondContact OG1-OE1 3.32Å; S5-Q7 VanDerWaalsContact C-N 3.34Å; S5-Q7 PolarHBondContact O-N 2.98Å; Q7-L11 WeakPolarHBondContact O-CB 3.49Å; Q7-L11 PolarHBondContact O-N 3.33Å; Q7-L11 VanDerWaalsContact O-N 3.13Å
8	F	66.5	Low	68.6	Low	115 Å²	115	109.1 Å²	109.1	50%	0.504	55%	0.552	S	S	.	*	H	α-helix	trans	-69.9	-43.9	175.4	-175.3	-106	0	0	0	111.5	T4 S5 L10 L11 I12	T4-F8 PolarHBondContact O-N 3.23Å; S5-F8 PolarHBondContact O-N 2.69Å; F8-L10 PolarHBondContact O-N 3.16Å; F8-L11 WeakPolarHBondContact O-CB 3.31Å; F8-L11 PolarHBondContact O-N 2.81Å; F8-L11 VanDerWaalsContact O-N 3.16Å; F8-I12 HydrophobicContact CD1-CD1 3.88Å; F8-I12 HydrophobicContact CE1-CD1 3.49Å; F8-I12 VanDerWaalsContact CE1-CD1 3.49Å; F8-I12 HydrophobicContact CE1-CG1 4.4Å; F8-I12 HydrophobicContact CZ-CD1 4.02Å; F8-I12 PolarHBondContact O-N 2.97Å
9	Q	66.3	Low	68.5	Low	85 Å²	85	108.1 Å²	108.1	40%	0.397	54%	0.543	S	S	.	.	H	α-helix	trans	-63.3	-42.2	176.1	-167.9	171.6	31.8	0	0	112	S5 L11 I12 Q13	S5-Q9 PolarHBondContact O-N 2.78Å; Q9-L11 VanDerWaalsContact C-N 3.26Å; Q9-L11 PolarHBondContact O-N 3.07Å; Q9-I12 PolarHBondContact O-N 3.28Å; Q9-Q13 PolarHBondContact O-N 3.16Å
10	L	73.5	Confident	68.8	Low	115 Å²	115	107 Å²	107	60%	0.602	53%	0.533	S	S	*	.	H	α-helix	trans	-62	-33.6	174.4	-174	67.1	0	0	0	112.5	D6 F8 R14	D6-L10 VanDerWaalsContact O-CB 3.31Å; D6-L10 WeakPolarHBondContact O-CB 3.05Å; D6-L10 PolarHBondContact O-N 2.72Å; F8-L10 PolarHBondContact O-N 3.16Å; L10-R14 VanDerWaalsContact O-CB 3.31Å; L10-R14 WeakPolarHBondContact O-CB 3.37Å; L10-R14 PolarHBondContact O-N 3.44Å; L10-R14 VanDerWaalsContact O-N 3.1Å
11	L	68.3	Low	69	Low	82 Å²	82	108.8 Å²	108.8	43%	0.429	54%	0.537	S	S	.	.	H	α-helix	trans	-68.1	-43.2	174.7	-178	62.9	0	0	0	111.5	Q7 F8 Q9 R14 Q15	Q7-L11 WeakPolarHBondContact O-CB 3.49Å; Q7-L11 PolarHBondContact O-N 3.33Å; Q7-L11 VanDerWaalsContact O-N 3.13Å; F8-L11 WeakPolarHBondContact O-CB 3.31Å; F8-L11 PolarHBondContact O-N 2.81Å; F8-L11 VanDerWaalsContact O-N 3.16Å; Q9-L11 VanDerWaalsContact C-N 3.26Å; Q9-L11 PolarHBondContact O-N 3.07Å; L11-R14 PolarHBondContact O-N 3.45Å; L11-Q15 WeakPolarHBondContact O-CG 3.4Å; L11-Q15 PolarHBondContact O-N 2.69Å
12	I	67	Low	69.7	Low	67 Å²	67	98 Å²	98	34%	0.344	49%	0.486	S	S	.	.	H	α-helix	trans	-59.2	-55.2	175.2	-68.8	170.1	0	0	0	110.3	F8 Q9 R14 Q15 E16	F8-I12 HydrophobicContact CD1-CD1 3.88Å; F8-I12 HydrophobicContact CE1-CD1 3.49Å; F8-I12 VanDerWaalsContact CE1-CD1 3.49Å; F8-I12 HydrophobicContact CE1-CG1 4.4Å; F8-I12 HydrophobicContact CZ-CD1 4.02Å; F8-I12 PolarHBondContact O-N 2.97Å; Q9-I12 PolarHBondContact O-N 3.28Å; I12-R14 PolarHBondContact O-N 2.96Å; I12-Q15 WeakPolarHBondContact O-CA 3.5Å; I12-Q15 PolarHBondContact O-N 3.07Å; I12-E16 HydrophobicContact CG2-CG 4.45Å; I12-E16 PolarHBondContact O-N 3.32Å
13	Q	70	Confident	70.4	Confident	98 Å²	98	94.2 Å²	94.2	46%	0.458	45%	0.452	S	S	.	.	H	α-helix	trans	-54.9	-39.2	179.1	-72.1	-177.6	-22.8	0	0	112.4	Q9 Q17	Q9-Q13 PolarHBondContact O-N 3.16Å; Q13-Q17 WeakPolarHBondContact O-CB 3.27Å; Q13-Q17 PolarHBondContact O-N 3.31Å
14	R	71.3	Confident	71.1	Confident	150 Å²	150	92.8 Å²	92.8	57%	0.566	44%	0.444	S	S	*	.	H	α-helix	trans	-68.7	-33.5	176.9	-168.8	177.5	-171.1	-171.5	3.5	113	L10 L11 I12 R18	L10-R14 VanDerWaalsContact O-CB 3.31Å; L10-R14 WeakPolarHBondContact O-CB 3.37Å; L10-R14 PolarHBondContact O-N 3.44Å; L10-R14 VanDerWaalsContact O-N 3.1Å; L11-R14 PolarHBondContact O-N 3.45Å; I12-R14 PolarHBondContact O-N 2.96Å; R14-R18 WeakPolarHBondContact O-CD 3.49Å; R14-R18 VanDerWaalsContact O-CG 3.28Å; R14-R18 WeakPolarHBondContact O-CG 3.31Å; R14-R18 PolarHBondContact O-N 2.96Å
15	Q	66.1	Low	71.2	Confident	99 Å²	99	92.8 Å²	92.8	46%	0.463	44%	0.439	S	S	.	.	H	α-helix	trans	-73.2	-43	174.9	-66.9	-72.5	57.2	0	0	111.1	L11 I12 Q17 R18 F19	L11-Q15 WeakPolarHBondContact O-CG 3.4Å; L11-Q15 PolarHBondContact O-N 2.69Å; I12-Q15 WeakPolarHBondContact O-CA 3.5Å; I12-Q15 PolarHBondContact O-N 3.07Å; Q15-Q17 VanDerWaalsContact C-N 3.34Å; Q15-Q17 PolarHBondContact O-N 3.47Å; Q15-R18 WeakPolarHBondContact O-CB 3.42Å; Q15-R18 PolarHBondContact O-N 3.41Å; Q15-R18 VanDerWaalsContact OE1-CD 3.3Å; Q15-F19 PolarHBondContact O-N 3.49Å
16	E	70.5	Confident	71.6	Confident	45 Å²	45	89.7 Å²	89.7	21%	0.21	41%	0.414	C	S	.	.	H	α-helix	trans	-57.7	-46.4	172.2	-68.8	-165.4	175.4	0	0	111.8	I12 R18 F19 R20 N64	I12-E16 HydrophobicContact CG2-CG 4.45Å; I12-E16 PolarHBondContact O-N 3.32Å; E16-R18 VanDerWaalsContact C-N 3.27Å; E16-R18 PolarHBondContact O-N 3.19Å; E16-F19 WeakPolarHBondContact O-CB 3.31Å; E16-F19 PolarHBondContact O-N 3.38Å; E16-F19 VanDerWaalsContact O-N 3.11Å; E16-R20 WeakPolarHBondContact O-CG 3.38Å; E16-R20 PolarHBondContact O-N 3.47Å; E16-R20 IonicContact OE2-CZ 3.24Å; E16-R20 IonicContact OE2-NE 2.63Å; E16-R20 IonicContact OE2-NH2 2.7Å; E16-R20 PolarHBondContact OE2-NH2 2.74Å; E16-N64 PolarHBondContact OE1-ND2 3.02Å
17	Q	72.7	Confident	72	Confident	139 Å²	139	84.3 Å²	84.3	65%	0.65	39%	0.385	S	S	*	.	H	α-helix	trans	-60.6	-37.7	178.7	-168.6	-174	27.1	0	0	112.2	Q13 Q15 K21	Q13-Q17 WeakPolarHBondContact O-CB 3.27Å; Q13-Q17 PolarHBondContact O-N 3.31Å; Q15-Q17 VanDerWaalsContact C-N 3.34Å; Q15-Q17 PolarHBondContact O-N 3.47Å; Q17-K21 WeakPolarHBondContact O-CB 3.48Å; Q17-K21 PolarHBondContact O-N 3.32Å; Q17-K21 VanDerWaalsContact O-N 3.09Å
18	R	67.3	Low	72.7	Confident	120 Å²	120	82.8 Å²	82.8	45%	0.453	38%	0.38	S	S	.	.	H	α-helix	trans	-65.9	-42.7	173.7	-75.6	165.4	168.4	-179	-6.7	111.8	R14 Q15 E16 K21 S22	R14-R18 WeakPolarHBondContact O-CD 3.49Å; R14-R18 VanDerWaalsContact O-CG 3.28Å; R14-R18 WeakPolarHBondContact O-CG 3.31Å; R14-R18 PolarHBondContact O-N 2.96Å; Q15-R18 WeakPolarHBondContact O-CB 3.42Å; Q15-R18 PolarHBondContact O-N 3.41Å; Q15-R18 VanDerWaalsContact OE1-CD 3.3Å; E16-R18 VanDerWaalsContact C-N 3.27Å; E16-R18 PolarHBondContact O-N 3.19Å; R18-K21 PolarHBondContact O-N 3.32Å; R18-S22 WeakPolarHBondContact O-CB 3.31Å; R18-S22 PolarHBondContact O-N 3.28Å
19	F	67.7	Low	73.5	Confident	89 Å²	89	82 Å²	82	39%	0.39	38%	0.376	S	S	.	.	H	α-helix	trans	-63.4	-51.5	178.1	-178.8	-107	0	0	0	111.6	Q15 E16 K21 S22 Q23	Q15-F19 PolarHBondContact O-N 3.49Å; E16-F19 WeakPolarHBondContact O-CB 3.31Å; E16-F19 PolarHBondContact O-N 3.38Å; E16-F19 VanDerWaalsContact O-N 3.11Å; F19-K21 VanDerWaalsContact C-N 3.25Å; F19-K21 PolarHBondContact O-N 3.49Å; F19-S22 WeakPolarHBondContact O-CB 3.48Å; F19-S22 PolarHBondContact O-N 3.31Å; F19-Q23 HydrophobicContact CE1-CG 4.29Å; F19-Q23 VanDerWaalsContact CE1-OE1 3.3Å; F19-Q23 HydrophobicContact CE2-CG 4.38Å; F19-Q23 HydrophobicContact CZ-CG 4.2Å; F19-Q23 WeakPolarHBondContact O-CG 3.28Å; F19-Q23 PolarHBondContact O-N 2.91Å
20	R	72.8	Confident	74.3	Confident	87 Å²	87	78.1 Å²	78.1	33%	0.328	36%	0.358	S	S	.	.	H	α-helix	trans	-54.7	-40.9	174.5	-64	179.9	-150.6	-159.6	8	111.7	E16 L24 E65	E16-R20 WeakPolarHBondContact O-CG 3.38Å; E16-R20 PolarHBondContact O-N 3.47Å; E16-R20 IonicContact OE2-CZ 3.24Å; E16-R20 IonicContact OE2-NE 2.63Å; E16-R20 IonicContact OE2-NH2 2.7Å; E16-R20 PolarHBondContact OE2-NH2 2.74Å; R20-L24 PolarHBondContact O-N 3.13Å; R20-E65 IonicContact CZ-OE1 3.7Å; R20-E65 VanDerWaalsContact CZ-OE1 3.24Å; R20-E65 IonicContact NH1-OE1 3.75Å; R20-E65 PolarHBondContact NH1-OE1 3.17Å; R20-E65 IonicContact NH2-OE1 2.66Å; R20-E65 PolarHBondContact NH2-OE1 3.46Å
21	K	74.5	Confident	74.9	Confident	145 Å²	145	74.9 Å²	74.9	63%	0.63	34%	0.34	S	S	*	.	H	α-helix	trans	-66	-43.3	175.5	-173.2	-176.3	176.6	-170.8	0	112.5	Q17 R18 F19 L24 E25	Q17-K21 WeakPolarHBondContact O-CB 3.48Å; Q17-K21 PolarHBondContact O-N 3.32Å; Q17-K21 VanDerWaalsContact O-N 3.09Å; R18-K21 PolarHBondContact O-N 3.32Å; F19-K21 VanDerWaalsContact C-N 3.25Å; F19-K21 PolarHBondContact O-N 3.49Å; K21-L24 PolarHBondContact O-N 2.93Å; K21-E25 PolarHBondContact O-N 3.06Å
22	S	69.6	Low	75.7	Confident	21 Å²	21	75 Å²	75	15%	0.147	34%	0.343	C	S	.	.	H	α-helix	trans	-58.6	-48.4	176.9	176.7	0	0	0	0	111.6	R18 F19 L24 E25 F26 Y186	R18-S22 WeakPolarHBondContact O-CB 3.31Å; R18-S22 PolarHBondContact O-N 3.28Å; F19-S22 WeakPolarHBondContact O-CB 3.48Å; F19-S22 PolarHBondContact O-N 3.31Å; S22-L24 VanDerWaalsContact C-N 3.34Å; S22-L24 PolarHBondContact O-N 3.19Å; S22-E25 WeakPolarHBondContact O-CB 3.46Å; S22-E25 PolarHBondContact O-N 3.48Å; S22-F26 PolarHBondContact O-N 3.23Å; S22-Y186 VanDerWaalsContact CB-CZ 3.46Å; S22-Y186 VanDerWaalsContact OG-CD2 3.29Å; S22-Y186 WeakPolarHBondContact OG-CD2 3.32Å; S22-Y186 WeakPolarHBondContact OG-CE2 3.35Å
23	Q	73.8	Confident	76.4	Confident	18 Å²	18	75.6 Å²	75.6	8%	0.084	34%	0.344	C	S	.	.	H	α-helix	trans	-62.7	-39.7	179.7	-66	176.2	-53.1	0	0	112.3	F19 F26 I27 L57	F19-Q23 HydrophobicContact CE1-CG 4.29Å; F19-Q23 VanDerWaalsContact CE1-OE1 3.3Å; F19-Q23 HydrophobicContact CE2-CG 4.38Å; F19-Q23 HydrophobicContact CZ-CG 4.2Å; F19-Q23 WeakPolarHBondContact O-CG 3.28Å; F19-Q23 PolarHBondContact O-N 2.91Å; Q23-F26 PolarHBondContact O-N 2.96Å; Q23-I27 WeakPolarHBondContact O-CG1 3.44Å; Q23-I27 PolarHBondContact O-N 3.49Å; Q23-L57 HydrophobicContact CB-CD1 4.3Å; Q23-L57 HydrophobicContact CB-CD2 3.6Å; Q23-L57 VanDerWaalsContact CD-CD1 3.41Å; Q23-L57 HydrophobicContact CG-CD1 4.37Å
24	L	79.6	Confident	76.9	Confident	80 Å²	80	71.4 Å²	71.4	42%	0.419	32%	0.324	S	S	.	.	H	α-helix	trans	-64.9	-42	174.8	-172.8	61.8	0	0	0	111.8	R20 K21 S22 F26 I27 D28	R20-L24 PolarHBondContact O-N 3.13Å; K21-L24 PolarHBondContact O-N 2.93Å; S22-L24 VanDerWaalsContact C-N 3.34Å; S22-L24 PolarHBondContact O-N 3.19Å; L24-F26 VanDerWaalsContact C-N 3.33Å; L24-F26 PolarHBondContact O-N 3.05Å; L24-I27 PolarHBondContact O-N 3.44Å; L24-D28 VanDerWaalsContact O-CG 3.28Å; L24-D28 PolarHBondContact O-N 3.41Å
25	E	78.7	Confident	77.4	Confident	74 Å²	74	68.5 Å²	68.5	35%	0.346	32%	0.32	S	S	.	.	H	α-helix	trans	-63.8	-36.4	175.3	-167	-169.7	142.5	0	0	112.3	K21 S22 D28 K29	K21-E25 PolarHBondContact O-N 3.06Å; S22-E25 WeakPolarHBondContact O-CB 3.46Å; S22-E25 PolarHBondContact O-N 3.48Å; E25-D28 PolarHBondContact O-N 2.98Å; E25-K29 HydrophobicContact CG-CD 4.49Å; E25-K29 WeakPolarHBondContact O-CG 3.48Å; E25-K29 PolarHBondContact O-N 3.2Å; E25-K29 VanDerWaalsContact OE1-CE 3.31Å; E25-K29 WeakPolarHBondContact OE1-CE 3.35Å; E25-K29 IonicContact OE1-NZ 3.61Å; E25-K29 PolarHBondContact OE1-NZ 3.34Å
26	F	79.2	Confident	78	Confident	32 Å²	32	69.9 Å²	69.9	14%	0.14	33%	0.33	C	S	.	.	H	α-helix	trans	-63.8	-46.4	172	173	-90.9	0	0	0	111.5	S22 Q23 L24 D28 K29 L30 P182 V278	S22-F26 PolarHBondContact O-N 3.23Å; Q23-F26 PolarHBondContact O-N 2.96Å; L24-F26 VanDerWaalsContact C-N 3.33Å; L24-F26 PolarHBondContact O-N 3.05Å; F26-D28 VanDerWaalsContact C-N 3.3Å; F26-D28 PolarHBondContact O-N 3.13Å; F26-K29 PolarHBondContact O-N 3.3Å; F26-L30 HydrophobicContact CE1-CD2 4.16Å; F26-L30 WeakPolarHBondContact O-CB 3.47Å; F26-L30 PolarHBondContact O-N 3.12Å; F26-P182 HydrophobicContact CD2-CG 4.39Å; F26-P182 HydrophobicContact CE2-CG 4.26Å; F26-V278 HydrophobicContact CE1-CG2 4.15Å
27	I	85	Confident	78.1	Confident	11 Å²	11	69.8 Å²	69.8	6%	0.056	33%	0.33	C	S	.	.	H	α-helix	trans	-60.1	-41	176.8	-71.4	170.7	0	0	0	110.9	Q23 L24 L30 H31 I50 L53 R54 L57	Q23-I27 WeakPolarHBondContact O-CG1 3.44Å; Q23-I27 PolarHBondContact O-N 3.49Å; L24-I27 PolarHBondContact O-N 3.44Å; I27-L30 WeakPolarHBondContact O-CB 3.33Å; I27-L30 PolarHBondContact O-N 3.32Å; I27-H31 WeakPolarHBondContact O-CB 3.47Å; I27-H31 PolarHBondContact O-N 3.41Å; I27-I50 HydrophobicContact CG2-CD1 4.11Å; I27-I50 HydrophobicContact CG2-CG2 3.78Å; I27-L53 HydrophobicContact CD1-CB 4.48Å; I27-R54 HydrophobicContact CD1-CG 4.06Å; I27-R54 HydrophobicContact CG2-CG 3.89Å; I27-L57 HydrophobicContact CD1-CD2 3.82Å
28	D	85.4	Confident	78	Confident	67 Å²	67	69.2 Å²	69.2	36%	0.358	34%	0.338	S	S	.	.	H	α-helix	trans	-66	-40.6	177.2	-67.2	-8.8	0	0	0	111.7	L24 E25 F26 L30 H31 V32 R54	L24-D28 VanDerWaalsContact O-CG 3.28Å; L24-D28 PolarHBondContact O-N 3.41Å; E25-D28 PolarHBondContact O-N 2.98Å; F26-D28 VanDerWaalsContact C-N 3.3Å; F26-D28 PolarHBondContact O-N 3.13Å; D28-L30 VanDerWaalsContact C-N 3.35Å; D28-H31 WeakPolarHBondContact O-CB 3.48Å; D28-H31 PolarHBondContact O-N 3.47Å; D28-V32 WeakPolarHBondContact O-CG2 3.4Å; D28-V32 PolarHBondContact O-N 2.67Å; D28-V32 VanDerWaalsContact O-N 3.17Å; D28-R54 IonicContact OD1-CZ 3.98Å; D28-R54 IonicContact OD1-NH2 3.15Å; D28-R54 PolarHBondContact OD1-NH2 2.93Å
29	K	84.6	Confident	78.1	Confident	97 Å²	97	67.4 Å²	67.4	42%	0.422	34%	0.343	S	S	.	.	H	α-helix	trans	-64.9	-37.6	172.7	-74.2	164.7	174	168.6	0	112.2	E25 F26 K33 P182	E25-K29 HydrophobicContact CG-CD 4.49Å; E25-K29 WeakPolarHBondContact O-CG 3.48Å; E25-K29 PolarHBondContact O-N 3.2Å; E25-K29 VanDerWaalsContact OE1-CE 3.31Å; E25-K29 WeakPolarHBondContact OE1-CE 3.35Å; E25-K29 IonicContact OE1-NZ 3.61Å; E25-K29 PolarHBondContact OE1-NZ 3.34Å; F26-K29 PolarHBondContact O-N 3.3Å; K29-K33 WeakPolarHBondContact O-CG 3.45Å; K29-K33 PolarHBondContact O-N 3.05Å; K29-P182 HydrophobicContact CB-CG 3.9Å; K29-P182 HydrophobicContact CD-CB 4.5Å
30	L	83.1	Confident	78	Confident	4 Å²	4	65 Å²	65	2%	0.021	33%	0.332	C	S	.	.	H	α-helix	trans	-66.3	-45	175.9	-178.7	63.3	0	0	0	110.8	F26 I27 D28 V32 K33 L34 I50 L53 L181	F26-L30 HydrophobicContact CE1-CD2 4.16Å; F26-L30 WeakPolarHBondContact O-CB 3.47Å; F26-L30 PolarHBondContact O-N 3.12Å; I27-L30 WeakPolarHBondContact O-CB 3.33Å; I27-L30 PolarHBondContact O-N 3.32Å; D28-L30 VanDerWaalsContact C-N 3.35Å; L30-V32 VanDerWaalsContact C-N 3.33Å; L30-V32 PolarHBondContact O-N 3.16Å; L30-K33 PolarHBondContact O-N 3.1Å; L30-K33 VanDerWaalsContact O-N 3.08Å; L30-L34 HydrophobicContact CD1-CD1 3.98Å; L30-L34 HydrophobicContact CD1-CD2 4.24Å; L30-L34 HydrophobicContact CD1-CG 3.91Å; L30-L34 HydrophobicContact CD2-CD1 4.4Å; L30-L34 HydrophobicContact CG-CD1 3.78Å; L30-L34 HydrophobicContact CG-CG 4.14Å; L30-L34 VanDerWaalsContact O-CG 3.3Å; L30-L34 WeakPolarHBondContact O-CG 3.47Å; L30-L34 PolarHBondContact O-N 3.37Å; L30-I50 HydrophobicContact CB-CD1 4.43Å; L30-I50 HydrophobicContact CD2-CD1 4.34Å; L30-I50 HydrophobicContact CG-CD1 4.25Å; L30-L53 HydrophobicContact CD2-CD1 3.8Å; L30-L181 HydrophobicContact CD1-CD2 3.64Å
31	H	86.5	Confident	77.3	Confident	47 Å²	47	64.2 Å²	64.2	22%	0.218	35%	0.351	C	S	.	.	H	α-helix	trans	-53	-50.2	174.4	-179.8	-139.9	0	0	0	111.5	I27 D28 K33 L34 L35 D47 I50	I27-H31 WeakPolarHBondContact O-CB 3.47Å; I27-H31 PolarHBondContact O-N 3.41Å; D28-H31 WeakPolarHBondContact O-CB 3.48Å; D28-H31 PolarHBondContact O-N 3.47Å; H31-K33 PolarHBondContact O-N 2.98Å; H31-L34 PolarHBondContact O-N 3.22Å; H31-L35 VanDerWaalsContact O-CB 3.27Å; H31-L35 WeakPolarHBondContact O-CB 3.49Å; H31-L35 PolarHBondContact O-N 3.34Å; H31-D47 IonicContact CD2-OD1 3.74Å; H31-D47 IonicContact CE1-OD1 3.54Å; H31-D47 IonicContact NE2-OD1 2.73Å; H31-D47 PolarHBondContact NE2-OD1 3.04Å; H31-I50 HydrophobicContact CB-CD1 3.82Å; H31-I50 HydrophobicContact CB-CG1 3.84Å; H31-I50 HydrophobicContact CB-CG2 4.36Å
32	V	85.2	Confident	77.2	Confident	84 Å²	84	58.9 Å²	58.9	51%	0.509	34%	0.337	S	S	.	.	H	α-helix	trans	-61.4	-41.7	176.4	175	0	0	0	0	111.8	D28 L30 N36	D28-V32 WeakPolarHBondContact O-CG2 3.4Å; D28-V32 PolarHBondContact O-N 2.67Å; D28-V32 VanDerWaalsContact O-N 3.17Å; L30-V32 VanDerWaalsContact C-N 3.33Å; L30-V32 PolarHBondContact O-N 3.16Å; V32-N36 PolarHBondContact O-N 2.97Å; V32-N36 PolarHBondContact O-ND2 3.4Å
33	K	80.9	Confident	77.8	Confident	81 Å²	81	60.1 Å²	60.1	35%	0.352	35%	0.349	S	S	.	.	H	α-helix	trans	-66.8	-43.8	178.6	-78.5	-173.5	173.8	-171.7	0	112.8	K29 L30 H31 N36 H37 V180 L181 P182	K29-K33 WeakPolarHBondContact O-CG 3.45Å; K29-K33 PolarHBondContact O-N 3.05Å; L30-K33 PolarHBondContact O-N 3.1Å; L30-K33 VanDerWaalsContact O-N 3.08Å; H31-K33 PolarHBondContact O-N 2.98Å; K33-N36 PolarHBondContact O-N 3.25Å; K33-H37 PolarHBondContact O-N 3.4Å; K33-V180 WeakPolarHBondContact CD-O 3.49Å; K33-V180 PolarHBondContact NZ-O 3.23Å; K33-L181 PolarHBondContact NZ-O 3.01Å; K33-P182 HydrophobicContact CD-CG 4.05Å
34	L	79.8	Confident	78.3	Confident	9 Å²	9	65 Å²	65	5%	0.047	38%	0.379	C	S	.	.	H	α-helix	trans	-68.9	-39.9	-179.9	-63.5	174.6	0	0	0	111.8	L30 H31 N36 H37 F40 V46 L49 I50	L30-L34 HydrophobicContact CD1-CD1 3.98Å; L30-L34 HydrophobicContact CD1-CD2 4.24Å; L30-L34 HydrophobicContact CD1-CG 3.91Å; L30-L34 HydrophobicContact CD2-CD1 4.4Å; L30-L34 HydrophobicContact CG-CD1 3.78Å; L30-L34 HydrophobicContact CG-CG 4.14Å; L30-L34 VanDerWaalsContact O-CG 3.3Å; L30-L34 WeakPolarHBondContact O-CG 3.47Å; L30-L34 PolarHBondContact O-N 3.37Å; H31-L34 PolarHBondContact O-N 3.22Å; L34-N36 PolarHBondContact O-N 3.31Å; L34-H37 WeakPolarHBondContact O-CB 3.35Å; L34-H37 PolarHBondContact O-N 3.48Å; L34-F40 HydrophobicContact CB-CD2 4.28Å; L34-F40 HydrophobicContact CB-CE2 4.12Å; L34-F40 HydrophobicContact CD2-CD2 4.45Å; L34-F40 HydrophobicContact CD2-CE2 3.51Å; L34-F40 HydrophobicContact CD2-CZ 3.79Å; L34-F40 HydrophobicContact CG-CE2 4.34Å; L34-F40 WeakPolarHBondContact O-CD2 3.46Å; L34-V46 HydrophobicContact CB-CG1 3.51Å; L34-V46 HydrophobicContact CB-CG2 4.46Å; L34-V46 HydrophobicContact CD1-CG1 4.15Å; L34-V46 HydrophobicContact CG-CG1 4.5Å; L34-L49 HydrophobicContact CD1-CD2 3.99Å; L34-I50 HydrophobicContact CD1-CD1 4.38Å
35	L	82.3	Confident	78.1	Confident	90 Å²	90	64.7 Å²	64.7	47%	0.471	38%	0.376	S	S	.	.	H	α-helix	trans	-64.5	-25.2	176.9	-168.4	68.5	0	0	0	113	H31 A43	H31-L35 VanDerWaalsContact O-CB 3.27Å; H31-L35 WeakPolarHBondContact O-CB 3.49Å; H31-L35 PolarHBondContact O-N 3.34Å; L35-A43 HydrophobicContact CD1-CB 3.79Å
36	N	79.1	Confident	78.2	Confident	127 Å²	127	61.1 Å²	61.1	68%	0.679	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.6	-1.7	173.4	-73.8	-66.6	0	0	0	113.5	V32 K33 L34	V32-N36 PolarHBondContact O-N 2.97Å; V32-N36 PolarHBondContact O-ND2 3.4Å; K33-N36 PolarHBondContact O-N 3.25Å; L34-N36 PolarHBondContact O-N 3.31Å
37	H	72.6	Confident	78.5	Confident	44 Å²	44	63 Å²	63	20%	0.204	37%	0.371	C	S	.	.	S	Bend	trans	-93.5	127.9	-174.8	-169.1	-93.5	0	0	0	111.8	K33 L34 C39 F40	K33-H37 PolarHBondContact O-N 3.4Å; L34-H37 WeakPolarHBondContact O-CB 3.35Å; L34-H37 PolarHBondContact O-N 3.48Å; H37-C39 VanDerWaalsContact CE1-SG 3.54Å; H37-C39 PolarHBondContact ND1-N 2.7Å; H37-C39 PolarHBondContact ND1-SG 2.84Å; H37-C39 PolarHBondContact O-N 3.26Å; H37-F40 HydrophobicContact CB-CD2 4.2Å; H37-F40 HydrophobicContact CB-CE2 4.49Å; H37-F40 PolarHBondContact O-N 2.79Å
38	P	71	Confident	78.4	Confident	126 Å²	126	65.2 Å²	65.2	82%	0.818	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-12.5	-170.7	-25.6	34.5	0	0	0	117.3
39	C	68.3	Low	78.2	Confident	82 Å²	82	63 Å²	63	55%	0.554	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-15	-177.9	77.7	0	0	0	0	114.7	H37	H37-C39 VanDerWaalsContact CE1-SG 3.54Å; H37-C39 PolarHBondContact ND1-N 2.7Å; H37-C39 PolarHBondContact ND1-SG 2.84Å; H37-C39 PolarHBondContact O-N 3.26Å
40	F	65.9	Low	78.3	Confident	40 Å²	40	58.6 Å²	58.6	18%	0.175	36%	0.36	C	S	.	.			trans	-88.2	124.3	178	-67.4	-80.9	0	0	0	110.1	L34 H37 G42 V46 L49 V285	L34-F40 HydrophobicContact CB-CD2 4.28Å; L34-F40 HydrophobicContact CB-CE2 4.12Å; L34-F40 HydrophobicContact CD2-CD2 4.45Å; L34-F40 HydrophobicContact CD2-CE2 3.51Å; L34-F40 HydrophobicContact CD2-CZ 3.79Å; L34-F40 HydrophobicContact CG-CE2 4.34Å; L34-F40 WeakPolarHBondContact O-CD2 3.46Å; H37-F40 HydrophobicContact CB-CD2 4.2Å; H37-F40 HydrophobicContact CB-CE2 4.49Å; H37-F40 PolarHBondContact O-N 2.79Å; F40-G42 VanDerWaalsContact C-N 3.29Å; F40-G42 PolarHBondContact O-N 2.94Å; F40-V46 HydrophobicContact CB-CG2 3.66Å; F40-V46 HydrophobicContact CD1-CG2 3.99Å; F40-V46 HydrophobicContact CD2-CG2 4.5Å; F40-V46 HydrophobicContact CG-CG2 3.78Å; F40-L49 HydrophobicContact CE1-CD2 4.39Å; F40-V285 HydrophobicContact CE1-CG1 4.02Å; F40-V285 HydrophobicContact CZ-CG1 4.29Å
41	G	58.6	Low	78.5	Confident	70 Å²	70	61.3 Å²	61.3	72%	0.722	38%	0.38	S	S	*	.			trans	-74.1	-17.7	-169.7	0	0	0	0	0	114.2	E45	G41-E45 WeakPolarHBondContact CA-OE2 3.35Å; G41-E45 PolarHBondContact N-OE2 3.04Å
42	G	71.9	Confident	78.5	Confident	32 Å²	32	63.7 Å²	63.7	33%	0.33	39%	0.389	S	S	.	.			trans	-177.2	166.3	173.5	0	0	0	0	0	113.5	F40 T44 E45	F40-G42 VanDerWaalsContact C-N 3.29Å; F40-G42 PolarHBondContact O-N 2.94Å; G42-T44 PolarHBondContact O-N 2.9Å; G42-E45 PolarHBondContact O-N 2.93Å; G42-E45 VanDerWaalsContact O-N 3.16Å
43	A	81.6	Confident	78.3	Confident	48 Å²	48	60.7 Å²	60.7	40%	0.397	37%	0.37	S	S	.	.	H	α-helix	trans	-52.8	-39.3	-179.5	0	0	0	0	0	112.9	L35 E45 V46 D47	L35-A43 HydrophobicContact CD1-CB 3.79Å; A43-E45 VanDerWaalsContact C-N 3.29Å; A43-E45 PolarHBondContact O-N 3.18Å; A43-V46 PolarHBondContact O-N 3.21Å; A43-V46 VanDerWaalsContact O-N 3.16Å; A43-D47 WeakPolarHBondContact O-CB 3.48Å; A43-D47 PolarHBondContact O-N 3.43Å
44	T	84.3	Confident	78.5	Confident	119 Å²	119	61.6 Å²	61.6	73%	0.73	37%	0.371	S	S	*	.	H	α-helix	trans	-54.9	-38.4	-179.9	-41.4	0	0	0	0	113.9	G42 A48	G42-T44 PolarHBondContact O-N 2.9Å; T44-A48 WeakPolarHBondContact O-CB 2.95Å; T44-A48 PolarHBondContact O-N 3.48Å
45	E	75.2	Confident	78.7	Confident	74 Å²	74	64.7 Å²	64.7	35%	0.346	39%	0.391	S	S	.	.	H	α-helix	trans	-70.8	-44.1	-179.6	-66.5	169.6	-178	0	0	110.6	G41 G42 A43 A48 L49	G41-E45 WeakPolarHBondContact CA-OE2 3.35Å; G41-E45 PolarHBondContact N-OE2 3.04Å; G42-E45 PolarHBondContact O-N 2.93Å; G42-E45 VanDerWaalsContact O-N 3.16Å; A43-E45 VanDerWaalsContact C-N 3.29Å; A43-E45 PolarHBondContact O-N 3.18Å; E45-A48 PolarHBondContact O-N 3.15Å; E45-L49 PolarHBondContact O-N 2.79Å
46	V	80.7	Confident	78.4	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	38%	0.381	C	S	.	.	H	α-helix	trans	-66.5	-43.8	177.3	-166.9	0	0	0	0	110.6	L34 F40 A43 A48 L49 I50	L34-V46 HydrophobicContact CB-CG1 3.51Å; L34-V46 HydrophobicContact CB-CG2 4.46Å; L34-V46 HydrophobicContact CD1-CG1 4.15Å; L34-V46 HydrophobicContact CG-CG1 4.5Å; F40-V46 HydrophobicContact CB-CG2 3.66Å; F40-V46 HydrophobicContact CD1-CG2 3.99Å; F40-V46 HydrophobicContact CD2-CG2 4.5Å; F40-V46 HydrophobicContact CG-CG2 3.78Å; A43-V46 PolarHBondContact O-N 3.21Å; A43-V46 VanDerWaalsContact O-N 3.16Å; V46-A48 VanDerWaalsContact C-N 3.3Å; V46-A48 PolarHBondContact O-N 2.98Å; V46-L49 PolarHBondContact O-N 3.05Å; V46-I50 HydrophobicContact CG1-CG1 4.2Å; V46-I50 WeakPolarHBondContact O-CB 3.45Å; V46-I50 VanDerWaalsContact O-CG1 3.26Å; V46-I50 WeakPolarHBondContact O-CG1 3.34Å; V46-I50 PolarHBondContact O-N 3.1Å
47	D	85.8	Confident	78.3	Confident	70 Å²	70	58.5 Å²	58.5	37%	0.374	36%	0.356	S	S	.	.	H	α-helix	trans	-61.6	-38.3	177.8	-69.6	-20.5	0	0	0	111.5	H31 A43 S51	H31-D47 IonicContact CD2-OD1 3.74Å; H31-D47 IonicContact CE1-OD1 3.54Å; H31-D47 IonicContact NE2-OD1 2.73Å; H31-D47 PolarHBondContact NE2-OD1 3.04Å; A43-D47 WeakPolarHBondContact O-CB 3.48Å; A43-D47 PolarHBondContact O-N 3.43Å; D47-S51 VanDerWaalsContact O-CB 3.24Å; D47-S51 WeakPolarHBondContact O-CB 3.02Å; D47-S51 PolarHBondContact O-N 3.15Å; D47-S51 PolarHBondContact O-OG 3.45Å
48	A	84.7	Confident	78.6	Confident	59 Å²	59	61.6 Å²	61.6	49%	0.488	37%	0.371	S	S	.	.	H	α-helix	trans	-66.4	-44.5	174.6	0	0	0	0	0	112.2	T44 E45 V46 S51 K52	T44-A48 WeakPolarHBondContact O-CB 2.95Å; T44-A48 PolarHBondContact O-N 3.48Å; E45-A48 PolarHBondContact O-N 3.15Å; V46-A48 VanDerWaalsContact C-N 3.3Å; V46-A48 PolarHBondContact O-N 2.98Å; A48-S51 PolarHBondContact O-N 3.49Å; A48-K52 PolarHBondContact O-N 2.96Å
49	L	80.7	Confident	78.7	Confident	21 Å²	21	59.6 Å²	59.6	11%	0.11	35%	0.353	C	S	.	.	H	α-helix	trans	-62.9	-45.7	176.6	180	62.9	0	0	0	112	L34 F40 E45 V46 K52 L53 M281	L34-L49 HydrophobicContact CD1-CD2 3.99Å; F40-L49 HydrophobicContact CE1-CD2 4.39Å; E45-L49 PolarHBondContact O-N 2.79Å; V46-L49 PolarHBondContact O-N 3.05Å; L49-K52 PolarHBondContact O-N 3.2Å; L49-L53 HydrophobicContact CG-CD1 4.5Å; L49-L53 PolarHBondContact O-N 3.19Å; L49-M281 HydrophobicContact CD1-CE 3.86Å; L49-M281 HydrophobicContact CD1-SD 4.01Å
50	I	86.9	Confident	78.7	Confident	3 Å²	3	60.1 Å²	60.1	2%	0.015	35%	0.35	C	S	.	.	H	α-helix	trans	-65.7	-38.1	177.3	-69.2	-67.9	0	0	0	111.3	I27 L30 H31 L34 V46 L53 R54	I27-I50 HydrophobicContact CG2-CD1 4.11Å; I27-I50 HydrophobicContact CG2-CG2 3.78Å; L30-I50 HydrophobicContact CB-CD1 4.43Å; L30-I50 HydrophobicContact CD2-CD1 4.34Å; L30-I50 HydrophobicContact CG-CD1 4.25Å; H31-I50 HydrophobicContact CB-CD1 3.82Å; H31-I50 HydrophobicContact CB-CG1 3.84Å; H31-I50 HydrophobicContact CB-CG2 4.36Å; L34-I50 HydrophobicContact CD1-CD1 4.38Å; V46-I50 HydrophobicContact CG1-CG1 4.2Å; V46-I50 WeakPolarHBondContact O-CB 3.45Å; V46-I50 VanDerWaalsContact O-CG1 3.26Å; V46-I50 WeakPolarHBondContact O-CG1 3.34Å; V46-I50 PolarHBondContact O-N 3.1Å; I50-L53 HydrophobicContact CD1-CD1 4.21Å; I50-L53 PolarHBondContact O-N 2.84Å; I50-R54 WeakPolarHBondContact O-CG 3.29Å; I50-R54 PolarHBondContact O-N 3.11Å
51	S	86	Confident	78.7	Confident	62 Å²	62	59.6 Å²	59.6	43%	0.434	35%	0.352	S	S	.	.	H	α-helix	trans	-62.4	-44.4	173.4	-62	0	0	0	0	111.4	D47 A48 R54 T55	D47-S51 VanDerWaalsContact O-CB 3.24Å; D47-S51 WeakPolarHBondContact O-CB 3.02Å; D47-S51 PolarHBondContact O-N 3.15Å; D47-S51 PolarHBondContact O-OG 3.45Å; A48-S51 PolarHBondContact O-N 3.49Å; S51-R54 PolarHBondContact O-N 3.07Å; S51-T55 WeakPolarHBondContact O-CG2 3.43Å; S51-T55 PolarHBondContact O-N 3.02Å; S51-T55 PolarHBondContact O-OG1 3.2Å
52	K	86.3	Confident	78.9	Confident	97 Å²	97	61.5 Å²	61.5	42%	0.422	34%	0.337	S	S	.	.	H	α-helix	trans	-59.7	-49.2	175.9	-171	-174	173.8	-161.4	0	111.5	A48 L49 R54 T55 E56 M281	A48-K52 PolarHBondContact O-N 2.96Å; L49-K52 PolarHBondContact O-N 3.2Å; K52-R54 VanDerWaalsContact C-N 3.34Å; K52-R54 PolarHBondContact O-N 3.28Å; K52-T55 WeakPolarHBondContact CA-OG1 3.35Å; K52-T55 PolarHBondContact O-N 3.47Å; K52-T55 VanDerWaalsContact O-N 3.13Å; K52-T55 PolarHBondContact O-OG1 3.18Å; K52-E56 PolarHBondContact O-N 3.37Å; K52-M281 HydrophobicContact CD-CE 4.38Å; K52-M281 HydrophobicContact CD-SD 4.06Å; K52-M281 PolarHBondContact NZ-SD 2.83Å
53	L	82.8	Confident	78.2	Confident	20 Å²	20	64.9 Å²	64.9	11%	0.105	35%	0.351	C	S	.	.	H	α-helix	trans	-54.6	-45.8	175.7	-79.4	166.3	0	0	0	112.4	I27 L30 L49 I50 E56 L57 V278 M281	I27-L53 HydrophobicContact CD1-CB 4.48Å; L30-L53 HydrophobicContact CD2-CD1 3.8Å; L49-L53 HydrophobicContact CG-CD1 4.5Å; L49-L53 PolarHBondContact O-N 3.19Å; I50-L53 HydrophobicContact CD1-CD1 4.21Å; I50-L53 PolarHBondContact O-N 2.84Å; L53-E56 PolarHBondContact O-N 3.09Å; L53-L57 WeakPolarHBondContact O-CB 3.24Å; L53-L57 PolarHBondContact O-N 3.31Å; L53-V278 HydrophobicContact CD2-CG2 4.36Å; L53-M281 HydrophobicContact CD1-CE 4.4Å; L53-M281 HydrophobicContact CD2-CE 3.36Å; L53-M281 HydrophobicContact CG-CE 3.51Å
54	R	84.9	Confident	76.9	Confident	100 Å²	100	66.4 Å²	66.4	38%	0.377	35%	0.353	S	S	.	.	H	α-helix	trans	-62.8	-42.3	176.5	-72.8	-178.6	177.5	152.8	-3.6	112.4	I27 D28 I50 S51 K52 E58	I27-R54 HydrophobicContact CD1-CG 4.06Å; I27-R54 HydrophobicContact CG2-CG 3.89Å; D28-R54 IonicContact OD1-CZ 3.98Å; D28-R54 IonicContact OD1-NH2 3.15Å; D28-R54 PolarHBondContact OD1-NH2 2.93Å; I50-R54 WeakPolarHBondContact O-CG 3.29Å; I50-R54 PolarHBondContact O-N 3.11Å; S51-R54 PolarHBondContact O-N 3.07Å; K52-R54 VanDerWaalsContact C-N 3.34Å; K52-R54 PolarHBondContact O-N 3.28Å; R54-E58 WeakPolarHBondContact O-CB 3.33Å; R54-E58 PolarHBondContact O-N 2.77Å
55	T	82.4	Confident	75.4	Confident	75 Å²	75	64.6 Å²	64.6	46%	0.46	34%	0.336	S	S	.	.	H	α-helix	trans	-68.4	-37	179.1	53.9	0	0	0	0	113.2	S51 K52 E58 N59	S51-T55 WeakPolarHBondContact O-CG2 3.43Å; S51-T55 PolarHBondContact O-N 3.02Å; S51-T55 PolarHBondContact O-OG1 3.2Å; K52-T55 WeakPolarHBondContact CA-OG1 3.35Å; K52-T55 PolarHBondContact O-N 3.47Å; K52-T55 VanDerWaalsContact O-N 3.13Å; K52-T55 PolarHBondContact O-OG1 3.18Å; T55-E58 PolarHBondContact O-N 3.32Å; T55-N59 PolarHBondContact O-N 2.94Å; T55-N59 VanDerWaalsContact O-N 3.1Å; T55-N59 PolarHBondContact O-ND2 3.47Å
56	E	77.6	Confident	74.1	Confident	58 Å²	58	69 Å²	69	27%	0.271	35%	0.35	S	S	.	.	H	α-helix	trans	-64.5	-47.9	175.9	-163.8	170.9	143.3	0	0	110.1	K52 L53 E58 N59 D60 N277	K52-E56 PolarHBondContact O-N 3.37Å; L53-E56 PolarHBondContact O-N 3.09Å; E56-E58 VanDerWaalsContact C-N 3.35Å; E56-E58 PolarHBondContact O-N 2.89Å; E56-N59 WeakPolarHBondContact O-CB 3.3Å; E56-N59 PolarHBondContact O-N 3.46Å; E56-N59 VanDerWaalsContact O-N 3.15Å; E56-D60 PolarHBondContact O-N 3.13Å; E56-N277 PolarHBondContact OE1-ND2 3.37Å
57	L	76.3	Confident	72.7	Confident	29 Å²	29	71.2 Å²	71.2	15%	0.152	37%	0.369	C	S	.	.	H	α-helix	trans	-60	-40.3	176	-174.1	71.9	0	0	0	113.5	Q23 I27 L53 N59 D60 C61	Q23-L57 HydrophobicContact CB-CD1 4.3Å; Q23-L57 HydrophobicContact CB-CD2 3.6Å; Q23-L57 VanDerWaalsContact CD-CD1 3.41Å; Q23-L57 HydrophobicContact CG-CD1 4.37Å; I27-L57 HydrophobicContact CD1-CD2 3.82Å; L53-L57 WeakPolarHBondContact O-CB 3.24Å; L53-L57 PolarHBondContact O-N 3.31Å; L57-N59 VanDerWaalsContact C-N 3.34Å; L57-D60 PolarHBondContact O-N 3.38Å; L57-C61 PolarHBondContact O-N 3.04Å; L57-C61 PolarHBondContact O-SG 3.01Å
58	E	78.1	Confident	71.1	Confident	109 Å²	109	71.8 Å²	71.8	51%	0.509	37%	0.37	S	S	.	.	H	α-helix	trans	-66.6	-37	177.3	-164.5	-173.8	154.5	0	0	111.8	R54 T55 E56 C61 R62	R54-E58 WeakPolarHBondContact O-CB 3.33Å; R54-E58 PolarHBondContact O-N 2.77Å; T55-E58 PolarHBondContact O-N 3.32Å; E56-E58 VanDerWaalsContact C-N 3.35Å; E56-E58 PolarHBondContact O-N 2.89Å; E58-C61 PolarHBondContact O-N 3.37Å; E58-R62 VanDerWaalsContact O-CB 3.31Å; E58-R62 WeakPolarHBondContact O-CB 3.49Å; E58-R62 PolarHBondContact O-N 3.32Å; E58-R62 IonicContact OE1-CZ 3.82Å; E58-R62 IonicContact OE1-NH2 2.67Å; E58-R62 PolarHBondContact OE1-NH2 2.96Å
59	N	74.2	Confident	69.4	Low	84 Å²	84	75.5 Å²	75.5	45%	0.449	38%	0.377	S	S	.	.	H	α-helix	trans	-66.8	-41.2	176	-69	-32.2	0	0	0	111.9	T55 E56 L57 R62 T63	T55-N59 PolarHBondContact O-N 2.94Å; T55-N59 VanDerWaalsContact O-N 3.1Å; T55-N59 PolarHBondContact O-ND2 3.47Å; E56-N59 WeakPolarHBondContact O-CB 3.3Å; E56-N59 PolarHBondContact O-N 3.46Å; E56-N59 VanDerWaalsContact O-N 3.15Å; L57-N59 VanDerWaalsContact C-N 3.34Å; N59-R62 PolarHBondContact O-N 3Å; N59-T63 PolarHBondContact O-N 3.34Å; N59-T63 PolarHBondContact O-OG1 3.24Å
60	D	68.2	Low	68.1	Low	92 Å²	92	77.7 Å²	77.7	49%	0.492	39%	0.394	S	S	.	.	H	α-helix	trans	-62.4	-44.9	175.7	-72.6	-14.9	0	0	0	111.2	E56 L57 R62 T63	E56-D60 PolarHBondContact O-N 3.13Å; L57-D60 PolarHBondContact O-N 3.38Å; D60-R62 PolarHBondContact O-N 2.66Å; D60-T63 PolarHBondContact O-N 2.97Å
61	C	64.8	Low	66.2	Low	30 Å²	30	82.9 Å²	82.9	20%	0.203	42%	0.421	C	S	.	.	H	α-helix	trans	-60.6	-45.3	175.1	-67.3	0	0	0	0	112.1	L57 E58 T63 N64	L57-C61 PolarHBondContact O-N 3.04Å; L57-C61 PolarHBondContact O-SG 3.01Å; E58-C61 PolarHBondContact O-N 3.37Å; C61-T63 VanDerWaalsContact C-N 3.29Å; C61-T63 PolarHBondContact O-N 3.03Å; C61-N64 WeakPolarHBondContact O-CB 3.49Å; C61-N64 PolarHBondContact O-N 3.31Å
62	R	64.4	Low	64.7	Low	110 Å²	110	87.2 Å²	87.2	42%	0.415	43%	0.429	S	S	.	.	H	α-helix	trans	-68.1	-28.6	-177.4	-166.4	-177	-60.9	169.1	1.7	112.9	E58 N59 D60 N64 E65 Y66	E58-R62 VanDerWaalsContact O-CB 3.31Å; E58-R62 WeakPolarHBondContact O-CB 3.49Å; E58-R62 PolarHBondContact O-N 3.32Å; E58-R62 IonicContact OE1-CZ 3.82Å; E58-R62 IonicContact OE1-NH2 2.67Å; E58-R62 PolarHBondContact OE1-NH2 2.96Å; N59-R62 PolarHBondContact O-N 3Å; D60-R62 PolarHBondContact O-N 2.66Å; R62-N64 PolarHBondContact O-N 3.39Å; R62-E65 PolarHBondContact O-N 3.41Å; R62-Y66 HydrophobicContact CG-CD2 4.3Å; R62-Y66 HydrophobicContact CG-CE2 4.12Å
63	T	57.5	Low	63	Low	103 Å²	103	87.8 Å²	87.8	63%	0.632	43%	0.433	S	S	*	.	H	α-helix	trans	-64.1	-26.4	177.3	-59.1	0	0	0	0	111.9	N59 D60 C61	N59-T63 PolarHBondContact O-N 3.34Å; N59-T63 PolarHBondContact O-OG1 3.24Å; D60-T63 PolarHBondContact O-N 2.97Å; C61-T63 VanDerWaalsContact C-N 3.29Å; C61-T63 PolarHBondContact O-N 3.03Å
64	N	52.6	Low	61.6	Low	79 Å²	79	90 Å²	90	42%	0.422	45%	0.451	S	S	.	.	H	α-helix	trans	-75.6	-38.6	173.7	-162.1	45.4	0	0	0	112.8	E16 C61 R62 Y66 A67 E68	E16-N64 PolarHBondContact OE1-ND2 3.02Å; C61-N64 WeakPolarHBondContact O-CB 3.49Å; C61-N64 PolarHBondContact O-N 3.31Å; R62-N64 PolarHBondContact O-N 3.39Å; N64-Y66 PolarHBondContact O-N 2.95Å; N64-A67 WeakPolarHBondContact O-CB 3.37Å; N64-A67 PolarHBondContact O-N 2.87Å; N64-A67 VanDerWaalsContact O-N 3.12Å; N64-E68 PolarHBondContact O-N 2.82Å
65	E	52.6	Low	60.2	Low	81 Å²	81	89.2 Å²	89.2	38%	0.379	46%	0.457	S	S	.	.	H	α-helix	trans	-67.9	-35.6	-173.4	-67	179.9	163	0	0	112.9	R20 R62 A67 E68 E69	R20-E65 IonicContact CZ-OE1 3.7Å; R20-E65 VanDerWaalsContact CZ-OE1 3.24Å; R20-E65 IonicContact NH1-OE1 3.75Å; R20-E65 PolarHBondContact NH1-OE1 3.17Å; R20-E65 IonicContact NH2-OE1 2.66Å; R20-E65 PolarHBondContact NH2-OE1 3.46Å; R62-E65 PolarHBondContact O-N 3.41Å; E65-A67 PolarHBondContact O-N 3.49Å; E65-E68 PolarHBondContact O-N 3.34Å; E65-E69 PolarHBondContact O-N 3.13Å
66	Y	49.5	Very low	58.9	Low	166 Å²	166	90.7 Å²	90.7	65%	0.651	46%	0.457	S	S	*	.	H	α-helix	trans	-65.5	-23.5	173.6	-85	-83.9	0	0	0	113.8	R62 N64	R62-Y66 HydrophobicContact CG-CD2 4.3Å; R62-Y66 HydrophobicContact CG-CE2 4.12Å; N64-Y66 PolarHBondContact O-N 2.95Å
67	A	49.9	Very low	57.9	Low	47 Å²	47	91.7 Å²	91.7	39%	0.388	47%	0.47	S	S	.	.	H	α-helix	trans	-75.3	-43.6	175.2	0	0	0	0	0	111.2	N64 E65 S70 L71	N64-A67 WeakPolarHBondContact O-CB 3.37Å; N64-A67 PolarHBondContact O-N 2.87Å; N64-A67 VanDerWaalsContact O-N 3.12Å; E65-A67 PolarHBondContact O-N 3.49Å; A67-S70 PolarHBondContact O-N 2.88Å; A67-S70 PolarHBondContact O-OG 3.4Å; A67-L71 PolarHBondContact O-N 3.38Å
68	E	52.1	Low	57	Low	83 Å²	83	92.9 Å²	92.9	39%	0.388	48%	0.481	S	S	.	.	H	α-helix	trans	-63.2	-40.9	178.1	-73.6	-150.2	132.9	0	0	112.9	N64 E65 S70 L71 Y72	N64-E68 PolarHBondContact O-N 2.82Å; E65-E68 PolarHBondContact O-N 3.34Å; E68-S70 VanDerWaalsContact C-N 3.27Å; E68-S70 PolarHBondContact O-N 3.33Å; E68-L71 PolarHBondContact O-N 2.83Å; E68-L71 VanDerWaalsContact O-N 3.13Å; E68-Y72 PolarHBondContact O-N 3.33Å
69	E	50.7	Low	55.8	Low	136 Å²	136	91.7 Å²	91.7	64%	0.636	48%	0.478	S	S	*	.	H	α-helix	trans	-58.9	-39.5	177.5	-71.7	-169.9	161.4	0	0	112.1	E65 L71 E73	E65-E69 PolarHBondContact O-N 3.13Å; E69-L71 VanDerWaalsContact C-N 3.34Å; E69-L71 PolarHBondContact O-N 2.97Å; E69-E73 PolarHBondContact O-N 3.28Å
70	S	52.8	Low	54.7	Low	68 Å²	68	93.6 Å²	93.6	48%	0.476	49%	0.488	S	S	.	.	H	α-helix	trans	-66.5	-34.8	177.5	80	0	0	0	0	113	A67 E68 S74	A67-S70 PolarHBondContact O-N 2.88Å; A67-S70 PolarHBondContact O-OG 3.4Å; E68-S70 VanDerWaalsContact C-N 3.27Å; E68-S70 PolarHBondContact O-N 3.33Å; S70-S74 VanDerWaalsContact O-CB 3.31Å; S70-S74 WeakPolarHBondContact O-CB 3.32Å; S70-S74 PolarHBondContact O-N 2.89Å; S70-S74 PolarHBondContact O-OG 2.98Å
71	L	47.4	Very low	53.9	Low	112 Å²	112	93.3 Å²	93.3	59%	0.586	49%	0.493	S	S	*	.	H	α-helix	trans	-78.3	-40.9	-179.6	-67.7	175.4	0	0	0	111.7	A67 E68 E69 E73 S74 V75	A67-L71 PolarHBondContact O-N 3.38Å; E68-L71 PolarHBondContact O-N 2.83Å; E68-L71 VanDerWaalsContact O-N 3.13Å; E69-L71 VanDerWaalsContact C-N 3.34Å; E69-L71 PolarHBondContact O-N 2.97Å; L71-E73 PolarHBondContact O-N 2.68Å; L71-S74 PolarHBondContact O-N 2.86Å; L71-V75 WeakPolarHBondContact O-CG2 3.18Å; L71-V75 PolarHBondContact O-N 2.91Å
72	Y	53.3	Low	53.1	Low	152 Å²	152	98.7 Å²	98.7	60%	0.596	52%	0.515	S	S	*	.	H	α-helix	trans	-59.5	-47	177.7	-177.3	-100.4	0	0	0	111.7	E68 V75 K76	E68-Y72 PolarHBondContact O-N 3.33Å; Y72-V75 PolarHBondContact O-N 2.84Å; Y72-K76 WeakPolarHBondContact O-CB 3.31Å; Y72-K76 PolarHBondContact O-N 3.24Å
73	E	50.1	Low	52.3	Low	110 Å²	110	98.8 Å²	98.8	51%	0.514	53%	0.528	S	S	.	.	H	α-helix	trans	-75.3	-28.6	-179.7	-160.5	71.3	145.5	0	0	112.4	E69 L71 K76 S77	E69-E73 PolarHBondContact O-N 3.28Å; L71-E73 PolarHBondContact O-N 2.68Å; E73-K76 PolarHBondContact O-N 3.39Å; E73-K76 WeakPolarHBondContact OE2-CD 3.31Å; E73-K76 IonicContact OE2-NZ 3.69Å; E73-S77 WeakPolarHBondContact O-CB 3.34Å; E73-S77 PolarHBondContact O-N 2.82Å
74	S	53.9	Low	51.7	Low	67 Å²	67	100.6 Å²	100.6	47%	0.469	53%	0.533	S	S	.	.	H	α-helix	trans	-60.9	-49.9	169.5	-65.1	0	0	0	0	111.8	S70 L71 K76 S77 S78	S70-S74 VanDerWaalsContact O-CB 3.31Å; S70-S74 WeakPolarHBondContact O-CB 3.32Å; S70-S74 PolarHBondContact O-N 2.89Å; S70-S74 PolarHBondContact O-OG 2.98Å; L71-S74 PolarHBondContact O-N 2.86Å; S74-K76 VanDerWaalsContact C-N 3.31Å; S74-K76 PolarHBondContact O-N 3.44Å; S74-S77 PolarHBondContact O-N 3.22Å; S74-S77 VanDerWaalsContact O-N 3.16Å; S74-S77 PolarHBondContact O-OG 3.41Å; S74-S78 PolarHBondContact O-N 3.02Å
75	V	56.4	Low	51.7	Low	83 Å²	83	100.8 Å²	100.8	50%	0.503	55%	0.545	S	S	.	.	H	α-helix	trans	-63.7	-36.1	178.7	171.2	0	0	0	0	111.9	L71 Y72 S77 S78 N79	L71-V75 WeakPolarHBondContact O-CG2 3.18Å; L71-V75 PolarHBondContact O-N 2.91Å; Y72-V75 PolarHBondContact O-N 2.84Å; V75-S77 VanDerWaalsContact C-N 3.35Å; V75-S78 PolarHBondContact O-OG 3.48Å; V75-N79 VanDerWaalsContact O-CG 3.22Å; V75-N79 PolarHBondContact O-N 2.75Å; V75-N79 PolarHBondContact O-ND2 3.27Å; V75-N79 VanDerWaalsContact O-ND2 3.16Å
76	K	54.9	Low	51.7	Low	106 Å²	106	103 Å²	103	46%	0.461	56%	0.564	S	S	.	*	H	α-helix	trans	-67.8	-36.4	175.6	-158.7	-174.4	-170.2	178.4	0	112.1	Y72 E73 S74	Y72-K76 WeakPolarHBondContact O-CB 3.31Å; Y72-K76 PolarHBondContact O-N 3.24Å; E73-K76 PolarHBondContact O-N 3.39Å; E73-K76 WeakPolarHBondContact OE2-CD 3.31Å; E73-K76 IonicContact OE2-NZ 3.69Å; S74-K76 VanDerWaalsContact C-N 3.31Å; S74-K76 PolarHBondContact O-N 3.44Å
77	S	56.1	Low	51.5	Low	78 Å²	78	99.6 Å²	99.6	55%	0.545	56%	0.561	S	S	.	*	H	α-helix	trans	-68.7	-38.8	176.4	79.4	0	0	0	0	113	E73 S74 V75	E73-S77 WeakPolarHBondContact O-CB 3.34Å; E73-S77 PolarHBondContact O-N 2.82Å; S74-S77 PolarHBondContact O-N 3.22Å; S74-S77 VanDerWaalsContact O-N 3.16Å; S74-S77 PolarHBondContact O-OG 3.41Å; V75-S77 VanDerWaalsContact C-N 3.35Å
78	S	56.8	Low	51.1	Low	55 Å²	55	107.8 Å²	107.8	39%	0.385	58%	0.583	S	S	.	*	H	α-helix	trans	-67.4	-43.6	179.5	59.2	0	0	0	0	112.2	S74 V75 L80 S81 E82	S74-S78 PolarHBondContact O-N 3.02Å; V75-S78 PolarHBondContact O-OG 3.48Å; S78-L80 VanDerWaalsContact C-N 3.25Å; S78-L80 PolarHBondContact O-N 3.41Å; S78-S81 WeakPolarHBondContact O-CB 3.2Å; S78-S81 PolarHBondContact O-N 3.11Å; S78-S81 PolarHBondContact O-OG 3.48Å; S78-E82 PolarHBondContact O-N 2.63Å
79	N	54.4	Low	50.7	Low	84 Å²	84	111.7 Å²	111.7	45%	0.449	61%	0.607	S	S	.	*	H	α-helix	trans	-62.5	-29.8	-177.6	-68.6	-19.8	0	0	0	113.4	V75 T83	V75-N79 VanDerWaalsContact O-CG 3.22Å; V75-N79 PolarHBondContact O-N 2.75Å; V75-N79 PolarHBondContact O-ND2 3.27Å; V75-N79 VanDerWaalsContact O-ND2 3.16Å; N79-T83 PolarHBondContact O-N 3.37Å; N79-T83 PolarHBondContact O-OG1 2.98Å
80	L	49.6	Very low	50.2	Low	124 Å²	124	114 Å²	114	65%	0.649	62%	0.617	S	S	*	*	H	α-helix	trans	-72.4	-29.3	174.4	-67.4	177.4	0	0	0	112.7	S78	S78-L80 VanDerWaalsContact C-N 3.25Å; S78-L80 PolarHBondContact O-N 3.41Å
81	S	51.3	Low	49.9	Very low	86 Å²	86	116.7 Å²	116.7	60%	0.601	63%	0.633	S	S	*	*	H	α-helix	trans	-75.1	-37	177.2	73.3	0	0	0	0	112.7	S78	S78-S81 WeakPolarHBondContact O-CB 3.2Å; S78-S81 PolarHBondContact O-N 3.11Å; S78-S81 PolarHBondContact O-OG 3.48Å
82	E	49.7	Very low	49.6	Very low	143 Å²	143	116.9 Å²	116.9	67%	0.668	64%	0.644	S	S	*	*	H	α-helix	trans	-75	-34.1	-178.7	-165.6	166.8	-163.8	0	0	112.2	S78 L84 A85	S78-E82 PolarHBondContact O-N 2.63Å; E82-L84 VanDerWaalsContact C-N 3.28Å; E82-L84 PolarHBondContact O-N 3.46Å; E82-A85 PolarHBondContact O-N 2.78Å
83	T	47.4	Very low	48.9	Very low	111 Å²	111	114.7 Å²	114.7	68%	0.681	65%	0.651	S	S	*	*	H	α-helix	trans	-68.5	-24.1	179.4	-51.6	0	0	0	0	113.1	N79	N79-T83 PolarHBondContact O-N 3.37Å; N79-T83 PolarHBondContact O-OG1 2.98Å
84	L	45.1	Very low	48.7	Very low	141 Å²	141	115.1 Å²	115.1	74%	0.738	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.9	-9.9	178.8	-85.1	166	0	0	0	114.3	E82	E82-L84 VanDerWaalsContact C-N 3.28Å; E82-L84 PolarHBondContact O-N 3.46Å
85	A	51.2	Low	48.1	Very low	83 Å²	83	118.2 Å²	118.2	69%	0.686	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.5	-1.4	-178.5	0	0	0	0	0	114.6	E82	E82-A85 PolarHBondContact O-N 2.78Å
86	V	54	Low	47.5	Very low	127 Å²	127	122.1 Å²	122.1	77%	0.77	70%	0.696	S	S	*	*	S	Bend	trans	-96.2	7.7	-172.3	-175.8	0	0	0	0	113
87	T	44	Very low	46.7	Very low	95 Å²	95	121.5 Å²	121.5	58%	0.583	71%	0.705	S	S	*	*	S	Bend	trans	-122.3	130.9	172.1	55.3	0	0	0	0	110.9
88	Y	42.5	Very low	45.8	Very low	219 Å²	219	124.4 Å²	124.4	86%	0.859	72%	0.719	S	S	*	*			trans	74.6	78.5	-177.4	-53.5	-83.1	0	0	0	116.2
89	D	42.4	Very low	45.5	Very low	166 Å²	166	126.3 Å²	126.3	89%	0.888	73%	0.732	S	S	*	*				-156.5	127.1	117.2	-111.5	-23.8	0	0	0	112.1
90	Q	40.8	Very low	45	Very low	184 Å²	184	131 Å²	131	86%	0.86	75%	0.752	S	S	*	*			trans	-112.1	99.1	178.1	-179.6	-178.2	-24.5	0	0	108.1	S92	Q90-S92 PolarHBondContact O-N 2.94Å; Q90-S92 VanDerWaalsContact O-N 3.08Å
91	P	45.8	Very low	44.6	Very low	124 Å²	124	129 Å²	129	81%	0.805	75%	0.753	S	S	*	*			trans	-73.5	107.3	-175.4	27.5	-32.3	0	0	0	110.7
92	S	42.1	Very low	44.6	Very low	117 Å²	117	130.7 Å²	130.7	82%	0.818	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-71.6	124.7	174.8	-170.7	0	0	0	0	110.7	Q90	Q90-S92 PolarHBondContact O-N 2.94Å; Q90-S92 VanDerWaalsContact O-N 3.08Å
93	S	38.1	Very low	44.4	Very low	105 Å²	105	129.2 Å²	129.2	73%	0.734	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-85.5	131.1	-175.8	-179.8	0	0	0	0	113.1
94	P	46.9	Very low	44.4	Very low	119 Å²	119	131.2 Å²	131.2	77%	0.773	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-97.5	136.3	169.2	34	-27.8	0	0	0	113.2
95	V	39.8	Very low	44.6	Very low	132 Å²	132	136.2 Å²	136.2	80%	0.8	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-86.1	130.7	-175.3	172.4	0	0	0	0	113.2
96	L	44.2	Very low	44.1	Very low	166 Å²	166	135.4 Å²	135.4	87%	0.869	78%	0.78	S	S	*	*			trans	-165.4	144.5	151.9	-74.7	-175.5	0	0	0	108.1
97	S	39	Very low	43.8	Very low	93 Å²	93	135 Å²	135	65%	0.65	78%	0.783	S	S	*	*			cis	174.1	121.7	-22.8	-95.6	0	0	0	0	106.1
98	V	37.6	Very low	43.8	Very low	139 Å²	139	138.4 Å²	138.4	84%	0.842	80%	0.798	S	S	*	*			trans	29.4	143.8	155.2	-76.4	0	0	0	0	122.1
99	S	48.9	Very low	44.2	Very low	94 Å²	94	133.6 Å²	133.6	66%	0.657	79%	0.794	S	S	*	*			cis	-139.2	-157.4	33.6	-59.6	0	0	0	0	112.4
100	E	44.2	Very low	44.2	Very low	182 Å²	182	131.1 Å²	131.1	85%	0.85	78%	0.784	S	S	*	*			cis	-150.6	-105.8	4.8	-158.9	126.5	102	0	0	116
101	A	41.7	Very low	44.6	Very low	83 Å²	83	130 Å²	130	69%	0.686	78%	0.782	S	S	*	*			trans	-129.1	161.1	-160.5	0	0	0	0	0	112.2
102	C	50.9	Low	44.7	Very low	122 Å²	122	129.3 Å²	129.3	82%	0.824	78%	0.778	S	S	*	*			cis	-141.4	166.5	26.7	-81.4	0	0	0	0	113.3
103	P	46.2	Very low	44.6	Very low	111 Å²	111	131.2 Å²	131.2	72%	0.721	77%	0.774	S	S	*	*			trans	-107.5	171.7	-171.5	39.8	-32.5	0	0	0	115
104	I	46.5	Very low	44.9	Very low	154 Å²	154	133.4 Å²	133.4	79%	0.79	78%	0.783	S	S	*	*				169.3	119.3	129.5	-87	156.2	0	0	0	112.6
105	R	50.7	Low	44.6	Very low	246 Å²	246	135.3 Å²	135.3	93%	0.928	78%	0.779	S	S	*	*			trans	48.3	123.5	140.9	-162.2	179	-174.6	175.1	0.7	120.4
106	G	39.9	Very low	44.6	Very low	66 Å²	66	140.3 Å²	140.3	68%	0.68	78%	0.784	S	S	*	*			cis	168.4	178	-4.5	0	0	0	0	0	115.5
107	S	48.3	Very low	44.4	Very low	119 Å²	119	136.4 Å²	136.4	83%	0.832	78%	0.775	S	S	*	*			trans	65	97.7	159.9	-54.7	0	0	0	0	120
108	N	43.3	Very low	44.4	Very low	165 Å²	165	138.2 Å²	138.2	88%	0.882	78%	0.778	S	S	*	*			trans	-88.6	154.9	144.9	-73.2	-33.2	0	0	0	110.1
109	P	50.7	Low	44.9	Very low	119 Å²	119	139.2 Å²	139.2	77%	0.773	78%	0.779	S	S	*	*				-143	168.3	126.9	37.3	-23.8	0	0	0	113.4
110	T	42.8	Very low	44.5	Very low	113 Å²	113	143.7 Å²	143.7	69%	0.693	79%	0.789	S	S	*	*			cis	-177.6	127.5	-23.4	-87.3	0	0	0	0	108.2
111	I	48.8	Very low	44.3	Very low	160 Å²	160	140.3 Å²	140.3	82%	0.821	79%	0.786	S	S	*	*			trans	75.3	152.4	154.3	-74.7	169.4	0	0	0	120.3
112	P	48.3	Very low	44.5	Very low	111 Å²	111	141.2 Å²	141.2	72%	0.721	79%	0.787	S	S	*	*			trans	-130.1	-152.5	-154.6	41.8	-20.9	0	0	0	114.8
113	E	40.2	Very low	44.2	Very low	156 Å²	156	141.2 Å²	141.2	73%	0.729	79%	0.788	S	S	*	*			trans	75.7	121.9	171.1	-63.4	-156	147.9	0	0	119.8
114	T	44	Very low	44.3	Very low	151 Å²	151	140.8 Å²	140.8	93%	0.926	79%	0.788	S	S	*	*			trans	-146.8	148	140.2	-49.9	0	0	0	0	109.7
115	K	40	Very low	43.7	Very low	159 Å²	159	141.1 Å²	141.1	69%	0.691	79%	0.786	S	S	*	*			trans	-105.4	157.3	-163	-65.5	169.9	176	167.3	0	113.9
116	R	40.3	Very low	43.1	Very low	238 Å²	238	139 Å²	139	90%	0.898	78%	0.784	S	S	*	*			trans	62.5	147.7	154.4	-72.6	179.6	174.8	-158.8	-1.7	116
117	A	41	Very low	43.1	Very low	83 Å²	83	140.9 Å²	140.9	69%	0.686	78%	0.778	S	S	*	*			cis	-156.1	154.2	35.1	0	0	0	0	0	113.7
118	N	38.8	Very low	42.7	Very low	132 Å²	132	143.4 Å²	143.4	71%	0.706	78%	0.782	S	S	*	*			trans	9.5	135.1	144.2	-30	-12.7	0	0	0	118.7
119	N	48.1	Very low	42.6	Very low	160 Å²	160	142.3 Å²	142.3	86%	0.856	78%	0.775	S	S	*	*				-169.6	159.5	114.2	-91.4	-14.7	0	0	0	112.2
120	E	40.1	Very low	41.7	Very low	187 Å²	187	144 Å²	144	87%	0.874	78%	0.776	S	S	*	*			trans	-87.4	148.4	-166.3	-59.7	159.4	130.5	0	0	113.6
121	S	39.6	Very low	41.3	Very low	112 Å²	112	146.1 Å²	146.1	78%	0.783	78%	0.783	S	S	*	*			trans	175.4	149.5	149.3	35.7	0	0	0	0	108.3
122	S	46	Very low	40.7	Very low	101 Å²	101	142.7 Å²	142.7	71%	0.706	77%	0.773	S	S	*	*			cis	-177.6	129.8	-16.1	-92.6	0	0	0	0	105.3
123	S	45.8	Very low	39.9	Very low	122 Å²	122	142 Å²	142	85%	0.853	78%	0.777	S	S	*	*			trans	64.2	157.1	149.2	72.2	0	0	0	0	118.9
124	S	47.2	Very low	39.6	Very low	103 Å²	103	143.8 Å²	143.8	72%	0.72	79%	0.785	S	S	*	*			cis	-141.6	138	8.1	52.3	0	0	0	0	112.9
125	Q	34.3	Very low	39.4	Very low	160 Å²	160	145.5 Å²	145.5	75%	0.748	78%	0.779	S	S	*	*			trans	60.4	97.5	132.2	-158.9	163.2	-4	0	0	119.8	D127	Q125-D127 PolarHBondContact NE2-OD2 2.99Å
126	K	37.3	Very low	39.1	Very low	202 Å²	202	145.9 Å²	145.9	88%	0.878	79%	0.787	S	S	*	*			trans	-66	129.4	141.4	-75.6	172.7	171.8	174.3	0	108.6
127	D	40.2	Very low	39.1	Very low	105 Å²	105	138.7 Å²	138.7	56%	0.561	78%	0.779	S	S	*	*			trans	-160.5	122.3	147.7	-84.1	-46.5	0	0	0	107.1	Q125	Q125-D127 PolarHBondContact NE2-OD2 2.99Å
128	N	41	Very low	38.8	Very low	173 Å²	173	139.5 Å²	139.5	93%	0.925	79%	0.786	S	S	*	*			trans	-178.5	75.5	160	-92.9	-24.3	0	0	0	107.8
129	I	39.9	Very low	38.8	Very low	141 Å²	141	139.9 Å²	139.9	72%	0.723	79%	0.792	S	S	*	*			trans	-90.4	114.2	-178.2	-65.5	170.1	0	0	0	109.2
130	L	33	Very low	38.2	Very low	154 Å²	154	137.8 Å²	137.8	81%	0.806	79%	0.787	S	S	*	*				32.5	91.3	130	-137.2	176.7	0	0	0	117.8
131	L	32.9	Very low	38	Very low	159 Å²	159	133.7 Å²	133.7	83%	0.832	79%	0.785	S	S	*	*			trans	-164.6	143.2	151.5	-89.4	124	0	0	0	107.4
132	S	36.9	Very low	38	Very low	87 Å²	87	136 Å²	136	61%	0.608	78%	0.783	S	S	*	*			cis	172.8	141.2	-18.5	50.5	0	0	0	0	104.8	H134	S132-H134 PolarHBondContact O-N 3.49Å
133	A	31	Very low	38.1	Very low	97 Å²	97	139.8 Å²	139.8	80%	0.802	79%	0.79	S	S	*	*			trans	-38.3	130.1	-180	0	0	0	0	0	116.9
134	H	34.1	Very low	38.2	Very low	194 Å²	194	141.8 Å²	141.8	90%	0.898	79%	0.786	S	S	*	*			trans	-90	100.3	155.8	-94.3	-82	0	0	0	110	S132	S132-H134 PolarHBondContact O-N 3.49Å
135	K	40.6	Very low	38	Very low	187 Å²	187	143.3 Å²	143.3	81%	0.813	79%	0.791	S	S	*	*			trans	-77.3	132.5	176.7	175.1	179.1	175.3	-179	0	110.5	A137	K135-A137 PolarHBondContact O-N 2.67Å
136	I	32.3	Very low	38.2	Very low	167 Å²	167	138.5 Å²	138.5	86%	0.856	78%	0.784	S	S	*	*			trans	-62.7	130.2	171.4	-60.7	167.5	0	0	0	109.4
137	A	40.3	Very low	38.4	Very low	87 Å²	87	136.7 Å²	136.7	72%	0.719	78%	0.784	S	S	*	*			trans	-139	124.6	171.1	0	0	0	0	0	109.6	K135	K135-A137 PolarHBondContact O-N 2.67Å
138	A	34.8	Very low	38.2	Very low	100 Å²	100	140 Å²	140	83%	0.826	79%	0.794	S	S	*	*			trans	-77.7	150.1	177.4	0	0	0	0	0	111.6
139	V	38.9	Very low	38.2	Very low	140 Å²	140	137.6 Å²	137.6	85%	0.848	79%	0.787	S	S	*	*			trans	-124.8	118.6	171.1	177.6	0	0	0	0	108.5
140	P	36	Very low	37.8	Very low	115 Å²	115	136.7 Å²	136.7	75%	0.747	78%	0.784	S	S	*	*			trans	-106.3	167.8	166	37.1	-29.6	0	0	0	112.4
141	A	36.9	Very low	37.9	Very low	101 Å²	101	134.3 Å²	134.3	84%	0.835	78%	0.781	S	S	*	*			trans	79.7	108.8	170.8	0	0	0	0	0	118.4
142	H	39.2	Very low	38.1	Very low	161 Å²	161	133.8 Å²	133.8	75%	0.745	78%	0.777	S	S	*	*				-139.2	124.3	123.8	-168.2	-95.2	0	0	0	108.6	E144	H142-E144 IonicContact CE1-OE2 2.79Å
143	E	47	Very low	38	Very low	181 Å²	181	135.3 Å²	135.3	85%	0.846	78%	0.782	S	S	*	*			trans	-90.2	131.3	171.1	-64	-174.9	153.4	0	0	108.9
144	E	48	Very low	38.3	Very low	164 Å²	164	138.1 Å²	138.1	77%	0.766	78%	0.784	S	S	*	*			trans	-146.1	91.5	161.9	-151.3	167.6	-177.3	0	0	113.1	H142	H142-E144 IonicContact CE1-OE2 2.79Å
145	T	42.5	Very low	38	Very low	135 Å²	135	134.9 Å²	134.9	83%	0.828	78%	0.778	S	S	*	*			trans	32.9	120.1	131.3	-50.6	0	0	0	0	120.8
146	G	39.8	Very low	37.9	Very low	59 Å²	59	132.8 Å²	132.8	61%	0.608	78%	0.78	S	S	*	*			trans	90.9	139.9	155	0	0	0	0	0	114.8
147	N	41.6	Very low	38.1	Very low	164 Å²	164	128.8 Å²	128.8	88%	0.877	77%	0.772	S	S	*	*			cis	-149.1	149.4	18.9	-58.3	-65.4	0	0	0	110.7
148	K	36.4	Very low	37.9	Very low	174 Å²	174	129.9 Å²	129.9	76%	0.757	77%	0.772	S	S	*	*			trans	-93.1	149.2	171.7	-150.8	174.4	-166.4	176.6	0	109.6	N150	K148-N150 WeakPolarHBondContact CE-OD1 3.47Å
149	P	39.6	Very low	38	Very low	122 Å²	122	132 Å²	132	79%	0.792	77%	0.77	S	S	*	*				-136.4	147	122.6	35.3	-24.6	0	0	0	113.5
150	N	32.6	Very low	37.5	Very low	122 Å²	122	134.2 Å²	134.2	65%	0.652	77%	0.771	S	S	*	*			trans	-84.4	167.1	164.1	-60.9	-13.9	0	0	0	109.6	K148	K148-N150 WeakPolarHBondContact CE-OD1 3.47Å
151	S	34.4	Very low	37.3	Very low	105 Å²	105	135 Å²	135	73%	0.734	77%	0.773	S	S	*	*				118.5	142.5	124.7	-145	0	0	0	0	118.5
152	I	36.7	Very low	36.9	Very low	148 Å²	148	134.3 Å²	134.3	76%	0.759	76%	0.763	S	S	*	*			trans	83	102.5	158.8	-64.9	143	0	0	0	118.3
153	V	35.4	Very low	36.5	Very low	119 Å²	119	134.3 Å²	134.3	72%	0.721	76%	0.763	S	S	*	*			trans	-58.5	143.4	154.4	169.1	0	0	0	0	111
154	N	36.4	Very low	35.8	Very low	155 Å²	155	132.7 Å²	132.7	83%	0.829	76%	0.76	S	S	*	*			trans	-161.3	128.3	138.3	-95.7	-31.3	0	0	0	112.6
155	T	29.6	Very low	34.8	Very low	126 Å²	126	129.5 Å²	129.5	77%	0.773	76%	0.762	S	S	*	*			trans	-74.9	137.8	176.8	36.7	0	0	0	0	113.6
156	V	37.2	Very low	34.3	Very low	143 Å²	143	132.1 Å²	132.1	87%	0.867	76%	0.762	S	S	*	*			trans	-144.7	133.1	144.8	174.4	0	0	0	0	108.5
157	A	36.2	Very low	33.8	Very low	83 Å²	83	135.8 Å²	135.8	69%	0.686	77%	0.766	S	S	*	*			trans	-115	158.8	167.2	0	0	0	0	0	109.7
158	P	37.9	Very low	33	Very low	111 Å²	111	135.9 Å²	135.9	72%	0.721	76%	0.759	S	S	*	*			trans	-136	113.5	145.7	32.7	-17	0	0	0	114.1
159	N	35.8	Very low	32.6	Very low	145 Å²	145	132.2 Å²	132.2	78%	0.775	76%	0.755	S	S	*	*				51.6	100.1	115.2	-45.6	-10.4	0	0	0	119.2
160	Q	28.1	Very low	32.1	Very low	185 Å²	185	133.5 Å²	133.5	86%	0.864	76%	0.755	S	S	*	*				49.3	117.6	115.6	-173.4	178.6	87.9	0	0	119.7
161	T	31.5	Very low	31.9	Very low	131 Å²	131	136.1 Å²	136.1	80%	0.804	76%	0.763	S	S	*	*				-157.1	124.7	126.6	-73.6	0	0	0	0	108.6
162	S	28.9	Very low	31.7	Very low	88 Å²	88	135.7 Å²	135.7	62%	0.615	76%	0.76	S	S	*	*			trans	-73	157.1	169.4	53.1	0	0	0	0	110.8
163	H	31.7	Very low	31.5	Very low	160 Å²	160	135.3 Å²	135.3	74%	0.741	76%	0.76	S	S	*	*				-170.2	139.9	127.7	-92.2	-59	0	0	0	111.4
164	D	32	Very low	31.3	Very low	148 Å²	148	135.7 Å²	135.7	79%	0.791	76%	0.758	S	S	*	*			trans	70	106.4	154.9	-51.3	-16.9	0	0	0	120.6
165	A	27	Very low	31.3	Very low	97 Å²	97	134 Å²	134	80%	0.802	75%	0.745	S	S	*	*			trans	-73.5	139.4	163.9	0	0	0	0	0	111.3
166	K	30.7	Very low	31.5	Very low	190 Å²	190	133.5 Å²	133.5	83%	0.826	74%	0.737	S	S	*	*			trans	-122.9	103.4	158.4	-168.5	176.6	-179.7	-174	0	110.1
167	I	29.2	Very low	31.7	Very low	135 Å²	135	133.8 Å²	133.8	69%	0.692	72%	0.724	S	S	*	*			trans	-87	147.1	168.9	-77.8	176.2	0	0	0	108.9
168	F	25.8	Very low	32.1	Very low	167 Å²	167	133.7 Å²	133.7	73%	0.732	71%	0.712	S	S	*	*			trans	57.2	115.1	174.8	-70.3	-59.3	0	0	0	119
169	S	28.2	Very low	32.5	Very low	96 Å²	96	130.2 Å²	130.2	67%	0.671	69%	0.687	S	S	*	*				-158.6	127.3	110.5	49.2	0	0	0	0	109.6	E171	S169-E171 PolarHBondContact O-N 3.27Å
170	N	28.8	Very low	33.1	Very low	149 Å²	149	127.2 Å²	127.2	80%	0.797	67%	0.673	S	S	*	*			trans	-82.6	109	-174.9	-51.3	-13.5	0	0	0	108.7
171	E	27.9	Very low	34.1	Very low	177 Å²	177	119.4 Å²	119.4	83%	0.827	64%	0.638	S	S	*	*			trans	-131	121.7	175.4	-162	161.8	-161.4	0	0	108.7	S169 N173	S169-E171 PolarHBondContact O-N 3.27Å; E171-N173 PolarHBondContact O-N 2.82Å; E171-N173 VanDerWaalsContact O-N 3.12Å
172	S	30.3	Very low	34.9	Very low	96 Å²	96	114.1 Å²	114.1	67%	0.671	61%	0.605	S	S	*	*			trans	-72.2	101	-171.7	47.7	0	0	0	0	111.1	D174	S172-D174 VanDerWaalsContact C-N 3.28Å; S172-D174 PolarHBondContact O-N 3.37Å; S172-D174 VanDerWaalsContact O-N 3.12Å
173	N	32	Very low	35.5	Very low	141 Å²	141	112.6 Å²	112.6	75%	0.754	59%	0.59	S	S	*	*			trans	-80.5	84.1	160.6	-98	-9	0	0	0	109.1	E171 Q175	E171-N173 PolarHBondContact O-N 2.82Å; E171-N173 VanDerWaalsContact O-N 3.12Å; N173-Q175 HydrophobicContact CB-CG 4.25Å; N173-Q175 PolarHBondContact O-N 3.48Å
174	D	32.5	Very low	36.3	Very low	126 Å²	126	107.1 Å²	107.1	67%	0.674	57%	0.569	S	S	*	*			trans	-64.7	77.4	160.4	-65.7	-41.6	0	0	0	108.6	S172 D176	S172-D174 VanDerWaalsContact C-N 3.28Å; S172-D174 PolarHBondContact O-N 3.37Å; S172-D174 VanDerWaalsContact O-N 3.12Å; D174-D176 PolarHBondContact O-N 3.05Å
175	Q	35.1	Very low	36.7	Very low	120 Å²	120	103.3 Å²	103.3	56%	0.561	55%	0.549	S	S	*	.			trans	-86.2	98.1	170.1	-72.2	-96.5	-30.8	0	0	107.5	N173 Y177	N173-Q175 HydrophobicContact CB-CG 4.25Å; N173-Q175 PolarHBondContact O-N 3.48Å; Q175-Y177 HydrophobicContact CB-CE2 4.18Å; Q175-Y177 VanDerWaalsContact O-CD2 3.24Å; Q175-Y177 WeakPolarHBondContact O-CD2 3.3Å; Q175-Y177 PolarHBondContact O-N 3.4Å
176	D	34.4	Very low	37.7	Very low	115 Å²	115	104.7 Å²	104.7	62%	0.615	53%	0.534	S	S	*	.			trans	-59.6	99	167.2	-77.9	-21.6	0	0	0	108.8	D174 L178	D174-D176 PolarHBondContact O-N 3.05Å; D176-L178 PolarHBondContact O-N 3.16Å
177	Y	41.4	Very low	37.9	Very low	149 Å²	149	104.4 Å²	104.4	58%	0.584	53%	0.533	S	S	*	.			trans	-71.9	90.9	176.2	-72.9	-78.5	0	0	0	110.1	Q175 I179	Q175-Y177 HydrophobicContact CB-CE2 4.18Å; Q175-Y177 VanDerWaalsContact O-CD2 3.24Å; Q175-Y177 WeakPolarHBondContact O-CD2 3.3Å; Q175-Y177 PolarHBondContact O-N 3.4Å; Y177-I179 PolarHBondContact O-N 3.41Å
178	L	44	Very low	38	Very low	81 Å²	81	102.3 Å²	102.3	42%	0.424	54%	0.536	S	S	.	.			trans	-78.6	98.7	177.1	177.5	54.3	0	0	0	111.3	D176 V180 Q195 I196	D176-L178 PolarHBondContact O-N 3.16Å; L178-V180 HydrophobicContact CD1-CG2 4.33Å; L178-V180 HydrophobicContact CD2-CG2 4.02Å; L178-V180 HydrophobicContact CG-CG2 3.8Å; L178-V180 PolarHBondContact O-N 3.23Å; L178-Q195 HydrophobicContact CD1-CB 4.47Å; L178-Q195 HydrophobicContact CD1-CG 3.44Å; L178-Q195 VanDerWaalsContact CD1-CG 3.44Å; L178-Q195 HydrophobicContact CD2-CG 4.23Å; L178-Q195 HydrophobicContact CG-CG 4.49Å; L178-I196 WeakPolarHBondContact CD1-O 3.26Å
179	I	46.1	Very low	38.4	Very low	38 Å²	38	102.5 Å²	102.5	20%	0.195	54%	0.544	C	S	.	.			trans	-81.2	99.3	166.8	-59.2	174.2	0	0	0	108.3	Y177 L181 I196 V282	Y177-I179 PolarHBondContact O-N 3.41Å; I179-L181 HydrophobicContact CG2-CD2 4.29Å; I179-L181 HydrophobicContact CG2-CG 4.38Å; I179-L181 PolarHBondContact O-N 3.06Å; I179-L181 VanDerWaalsContact O-N 3.16Å; I179-I196 HydrophobicContact CB-CD1 4.04Å; I179-I196 HydrophobicContact CB-CG1 4.44Å; I179-I196 HydrophobicContact CG2-CD1 4.49Å; I179-I196 WeakPolarHBondContact O-CG1 3.4Å; I179-V282 HydrophobicContact CD1-CG1 4.1Å
180	V	49.2	Very low	38.6	Very low	82 Å²	82	100.9 Å²	100.9	50%	0.497	53%	0.533	S	S	.	.	B	Isolated β-bridge	trans	-76	99.8	171.1	-175	0	0	0	0	108.8	K33 L178	K33-V180 WeakPolarHBondContact CD-O 3.49Å; K33-V180 PolarHBondContact NZ-O 3.23Å; L178-V180 HydrophobicContact CD1-CG2 4.33Å; L178-V180 HydrophobicContact CD2-CG2 4.02Å; L178-V180 HydrophobicContact CG-CG2 3.8Å; L178-V180 PolarHBondContact O-N 3.23Å
181	L	49.3	Very low	39	Very low	22 Å²	22	104.4 Å²	104.4	12%	0.115	54%	0.537	C	S	.	.	P	Polyproline II helix	trans	-67.1	157.6	171.9	-73	173.2	0	0	0	111.1	L30 K33 I179 I196 V278	L30-L181 HydrophobicContact CD1-CD2 3.64Å; K33-L181 PolarHBondContact NZ-O 3.01Å; I179-L181 HydrophobicContact CG2-CD2 4.29Å; I179-L181 HydrophobicContact CG2-CG 4.38Å; I179-L181 PolarHBondContact O-N 3.06Å; I179-L181 VanDerWaalsContact O-N 3.16Å; L181-I196 HydrophobicContact CD1-CD1 4.5Å; L181-V278 HydrophobicContact CD1-CG1 4.4Å
182	P	47.6	Very low	39.3	Very low	20 Å²	20	100.5 Å²	100.5	13%	0.13	53%	0.525	C	S	.	.	P	Polyproline II helix	trans	-71.6	129.1	167	1.7	15.6	0	0	0	107.9	F26 K29 K33	F26-P182 HydrophobicContact CD2-CG 4.39Å; F26-P182 HydrophobicContact CE2-CG 4.26Å; K29-P182 HydrophobicContact CB-CG 3.9Å; K29-P182 HydrophobicContact CD-CB 4.5Å; K33-P182 HydrophobicContact CD-CG 4.05Å
183	D	43.4	Very low	39.5	Very low	56 Å²	56	100.3 Å²	100.3	30%	0.299	52%	0.521	S	S	.	.	P	Polyproline II helix	trans	-60.8	136.4	173.7	-106.6	-45.6	0	0	0	111	D185 P193	D183-D185 HydrophobicContact CB-CB 4.16Å; D183-D185 WeakPolarHBondContact CB-OD2 3.2Å; D183-D185 PolarHBondContact O-N 3.16Å; D183-D185 VanDerWaalsContact O-N 3.11Å; D183-P193 VanDerWaalsContact OD2-CA 3.23Å; D183-P193 WeakPolarHBondContact OD2-CA 3.37Å
184	P	46.7	Very low	39.9	Very low	44 Å²	44	96.9 Å²	96.9	29%	0.286	51%	0.505	S	S	.	.			trans	-78.3	35.9	165.8	35.4	-35	0	0	0	111.9	Y186	P184-Y186 PolarHBondContact O-N 3.18Å
185	D	40.6	Very low	40.2	Very low	69 Å²	69	97.4 Å²	97.4	37%	0.369	50%	0.504	S	S	.	.			trans	-68.5	77.2	177.1	-79.8	-38.1	0	0	0	111	D183 F187 S190	D183-D185 HydrophobicContact CB-CB 4.16Å; D183-D185 WeakPolarHBondContact CB-OD2 3.2Å; D183-D185 PolarHBondContact O-N 3.16Å; D183-D185 VanDerWaalsContact O-N 3.11Å; D185-F187 PolarHBondContact O-N 2.73Å; D185-S190 VanDerWaalsContact CG-O 3.25Å; D185-S190 VanDerWaalsContact OD2-O 3.04Å
186	Y	48.1	Very low	40.5	Very low	126 Å²	126	94 Å²	94	49%	0.494	49%	0.489	S	S	.	.			trans	-86.1	8.6	-177.9	-123.2	-101.8	0	0	0	114	S22 P184	S22-Y186 VanDerWaalsContact CB-CZ 3.46Å; S22-Y186 VanDerWaalsContact OG-CD2 3.29Å; S22-Y186 WeakPolarHBondContact OG-CD2 3.32Å; S22-Y186 WeakPolarHBondContact OG-CE2 3.35Å; P184-Y186 PolarHBondContact O-N 3.18Å
187	F	35	Very low	40.5	Very low	184 Å²	184	92.8 Å²	92.8	81%	0.807	49%	0.49	S	S	*	.	S	Bend	trans	-130.2	119	166.9	-63.7	-80.3	0	0	0	108.5	D185 D189	D185-F187 PolarHBondContact O-N 2.73Å; F187-D189 PolarHBondContact O-N 2.82Å
188	A	31.9	Very low	40.4	Very low	91 Å²	91	90.8 Å²	90.8	75%	0.752	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	137.4	177.5	0	0	0	0	0	110.9
189	D	33	Very low	39.9	Very low	170 Å²	170	96 Å²	96	91%	0.909	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	126	-6.3	162.3	-63.6	-12.4	0	0	0	115.3	F187	F187-D189 PolarHBondContact O-N 2.82Å
190	S	34.4	Very low	39.5	Very low	62 Å²	62	98.8 Å²	98.8	43%	0.434	52%	0.516	S	S	.	.			trans	-114	118.6	172.2	173.2	0	0	0	0	110.9	D185	D185-S190 VanDerWaalsContact CG-O 3.25Å; D185-S190 VanDerWaalsContact OD2-O 3.04Å
191	Y	36.5	Very low	38.8	Very low	224 Å²	224	98.1 Å²	98.1	88%	0.878	53%	0.526	S	S	*	.			trans	-103.1	107.7	166.2	-85.9	-100.6	0	0	0	108.6
192	V	33	Very low	38.2	Very low	94 Å²	94	107.6 Å²	107.6	57%	0.57	56%	0.56	S	S	*	*			trans	-133.8	79.9	175	-172.6	0	0	0	0	110.6	V194	V192-V194 PolarHBondContact O-N 2.86Å; V192-V194 VanDerWaalsContact O-N 3.08Å
193	P	35.4	Very low	37.7	Very low	93 Å²	93	116.2 Å²	116.2	60%	0.604	60%	0.596	S	S	*	*			trans	-56.6	116.3	-175.7	23.3	-34.4	0	0	0	112.3	D183 Q195	D183-P193 VanDerWaalsContact OD2-CA 3.23Å; D183-P193 WeakPolarHBondContact OD2-CA 3.37Å; P193-Q195 PolarHBondContact O-N 3.43Å
194	V	39.9	Very low	37.1	Very low	69 Å²	69	119.8 Å²	119.8	42%	0.418	61%	0.613	S	S	.	*			trans	-66.8	95.8	174.1	-179.3	0	0	0	0	110.2	V192 I196	V192-V194 PolarHBondContact O-N 2.86Å; V192-V194 VanDerWaalsContact O-N 3.08Å; V194-I196 PolarHBondContact O-N 3.08Å
195	Q	38.5	Very low	36.6	Very low	136 Å²	136	123.6 Å²	123.6	64%	0.636	64%	0.641	S	S	*	*	B	Isolated β-bridge	trans	-89.2	95.5	177.8	-165.6	-172.3	-4.4	0	0	110.8	L178 P193 S197	L178-Q195 HydrophobicContact CD1-CB 4.47Å; L178-Q195 HydrophobicContact CD1-CG 3.44Å; L178-Q195 VanDerWaalsContact CD1-CG 3.44Å; L178-Q195 HydrophobicContact CD2-CG 4.23Å; L178-Q195 HydrophobicContact CG-CG 4.49Å; P193-Q195 PolarHBondContact O-N 3.43Å; Q195-S197 PolarHBondContact O-N 3.39Å
196	I	41.4	Very low	36.3	Very low	50 Å²	50	127 Å²	127	26%	0.256	66%	0.659	S	S	.	*			trans	-77.1	116.7	166.5	48.1	171.1	0	0	0	110	L178 I179 L181 V194 V282	L178-I196 WeakPolarHBondContact CD1-O 3.26Å; I179-I196 HydrophobicContact CB-CD1 4.04Å; I179-I196 HydrophobicContact CB-CG1 4.44Å; I179-I196 HydrophobicContact CG2-CD1 4.49Å; I179-I196 WeakPolarHBondContact O-CG1 3.4Å; L181-I196 HydrophobicContact CD1-CD1 4.5Å; V194-I196 PolarHBondContact O-N 3.08Å; I196-V282 HydrophobicContact CD1-CG1 4.2Å
197	S	36	Very low	35.4	Very low	89 Å²	89	125.5 Å²	125.5	62%	0.622	67%	0.672	S	S	*	*			trans	-114.6	126.7	171.9	52.4	0	0	0	0	109.3	Q195	Q195-S197 PolarHBondContact O-N 3.39Å
198	Y	38.2	Very low	35.4	Very low	106 Å²	106	125.2 Å²	125.2	42%	0.416	68%	0.678	S	S	.	*			trans	-103.9	118.1	178.2	174.8	-103.7	0	0	0	110.2	N200 H286	Y198-N200 HydrophobicContact CD1-CB 4.4Å; Y198-N200 HydrophobicContact CE1-CB 3.79Å; Y198-H286 AromaticContact CD1-NE2 3.95Å
199	K	33.8	Very low	35.5	Very low	192 Å²	192	126.9 Å²	126.9	84%	0.835	68%	0.675	S	S	*	*			trans	-97.1	98.6	179.3	-162.9	173.2	-169.6	171.3	0	110.1	G201	K199-G201 PolarHBondContact O-N 3.17Å
200	N	38.4	Very low	35.9	Very low	96 Å²	96	124.8 Å²	124.8	51%	0.513	66%	0.664	S	S	.	*			trans	-62.3	104	-179.2	-175.8	26.7	0	0	0	112	Y198 R202	Y198-N200 HydrophobicContact CD1-CB 4.4Å; Y198-N200 HydrophobicContact CE1-CB 3.79Å; N200-R202 PolarHBondContact O-N 3.04Å
201	G	34.6	Very low	35.9	Very low	68 Å²	68	129.9 Å²	129.9	70%	0.701	69%	0.686	S	S	*	*			trans	-76.6	26	-172.4	0	0	0	0	0	116.5	K199 K203	K199-G201 PolarHBondContact O-N 3.17Å; G201-K203 VanDerWaalsContact C-N 3.34Å; G201-K203 PolarHBondContact O-N 3.44Å
202	R	36.1	Very low	36	Very low	221 Å²	221	127.8 Å²	127.8	83%	0.834	68%	0.684	S	S	*	*			trans	-79.2	73	-170.2	-157.7	177.4	-152.4	-120.7	2.9	113.7	N200 I204	N200-R202 PolarHBondContact O-N 3.04Å; R202-I204 PolarHBondContact O-N 3.13Å
203	K	36.9	Very low	35.9	Very low	201 Å²	201	131.3 Å²	131.3	87%	0.874	69%	0.694	S	S	*	*			trans	-78.8	105.3	168.1	-80.4	-171	174.5	-176.7	0	112	G201	G201-K203 VanDerWaalsContact C-N 3.34Å; G201-K203 PolarHBondContact O-N 3.44Å
204	I	30.9	Very low	36.2	Very low	130 Å²	130	132.1 Å²	132.1	67%	0.667	70%	0.703	S	S	*	*			trans	-0.3	131.4	153.3	-57.2	163.7	0	0	0	116.8	R202 D206	R202-I204 PolarHBondContact O-N 3.13Å; I204-D206 VanDerWaalsContact CG2-CG 3.49Å; I204-D206 WeakPolarHBondContact CG2-OD2 3.3Å
205	S	36	Very low	35.7	Very low	125 Å²	125	135 Å²	135	87%	0.874	72%	0.716	S	S	*	*			trans	-136.3	112.7	144.1	-54.7	0	0	0	0	107.3
206	D	34	Very low	35.7	Very low	141 Å²	141	134.5 Å²	134.5	75%	0.754	72%	0.722	S	S	*	*			trans	-78	163.8	-175.2	-64.1	-62.5	0	0	0	112.9	I204	I204-D206 VanDerWaalsContact CG2-CG 3.49Å; I204-D206 WeakPolarHBondContact CG2-OD2 3.3Å
207	A	29.7	Very low	35.4	Very low	93 Å²	93	139 Å²	139	77%	0.769	75%	0.747	S	S	*	*			trans	56.4	94.1	155.7	0	0	0	0	0	118.2
208	L	34.5	Very low	35.2	Very low	178 Å²	178	144.4 Å²	144.4	93%	0.932	76%	0.759	S	S	*	*				-134.9	105.9	126.3	-145.4	97	0	0	0	110.4
209	N	35.2	Very low	35.2	Very low	126 Å²	126	147.2 Å²	147.2	67%	0.674	78%	0.78	S	S	*	*			trans	-85.6	164.5	163.8	-172.3	41.6	0	0	0	109.6
210	D	40	Very low	35	Very low	126 Å²	126	144.4 Å²	144.4	67%	0.674	77%	0.774	S	S	*	*			trans	70.7	113	167.3	-60.8	-39.1	0	0	0	118.4	Q212	D210-Q212 PolarHBondContact O-N 3.28Å; D210-Q212 VanDerWaalsContact O-N 3.12Å
211	N	35.7	Very low	35.2	Very low	170 Å²	170	146.1 Å²	146.1	91%	0.909	79%	0.788	S	S	*	*			trans	-66.6	97.5	164.3	-49	-65	0	0	0	110
212	Q	37	Very low	35.5	Very low	179 Å²	179	150 Å²	150	84%	0.836	79%	0.792	S	S	*	*			trans	-151	112.3	151.8	-132.9	176.5	-5.4	0	0	115.7	D210 S214	D210-Q212 PolarHBondContact O-N 3.28Å; D210-Q212 VanDerWaalsContact O-N 3.12Å; Q212-S214 PolarHBondContact O-N 3.28Å
213	E	32.3	Very low	35.5	Very low	168 Å²	168	149.1 Å²	149.1	79%	0.785	79%	0.791	S	S	*	*			trans	-20.3	113.9	149.9	-176.6	179.5	-157.7	0	0	116.1
214	S	41.1	Very low	35.9	Very low	111 Å²	111	143.6 Å²	143.6	78%	0.776	78%	0.775	S	S	*	*			trans	-155	89	150.5	64.7	0	0	0	0	112.3	Q212	Q212-S214 PolarHBondContact O-N 3.28Å
215	N	29.7	Very low	36.3	Very low	130 Å²	130	143.4 Å²	143.4	70%	0.695	78%	0.775	S	S	*	*			trans	-58.8	124.9	168.7	13.4	-74.9	0	0	0	112.7
216	T	37.2	Very low	36.2	Very low	125 Å²	125	143.9 Å²	143.9	77%	0.767	77%	0.768	S	S	*	*			trans	-165.2	109.1	145.8	21.1	0	0	0	0	113.4
217	N	35.5	Very low	36.7	Very low	144 Å²	144	143.3 Å²	143.3	77%	0.77	78%	0.776	S	S	*	*			trans	49.1	115.7	134.1	-54.5	-5.7	0	0	0	122.1
218	F	33.3	Very low	37	Very low	202 Å²	202	146.8 Å²	146.8	89%	0.886	78%	0.78	S	S	*	*			trans	-16.5	144	146.7	-51.8	-95.2	0	0	0	117.9
219	I	36.6	Very low	37.3	Very low	166 Å²	166	143.4 Å²	143.4	85%	0.851	77%	0.771	S	S	*	*				-151.1	147.9	111.3	-77.8	-144.7	0	0	0	109.7
220	D	31.1	Very low	37.4	Very low	133 Å²	133	142.3 Å²	142.3	71%	0.711	77%	0.769	S	S	*	*			trans	-86.7	143.2	-179.7	169.6	33.7	0	0	0	112.9
221	T	41.7	Very low	37.5	Very low	131 Å²	131	143 Å²	143	80%	0.804	77%	0.773	S	S	*	*			trans	-153.2	127.5	164.3	53.3	0	0	0	0	112.5
222	D	40.1	Very low	37.7	Very low	149 Å²	149	143.3 Å²	143.3	80%	0.797	77%	0.769	S	S	*	*			trans	-66.9	153.4	-178.3	-67.8	-71.7	0	0	0	117.3
223	Y	37.9	Very low	37.8	Very low	204 Å²	204	140.8 Å²	140.8	80%	0.8	77%	0.766	S	S	*	*				130.5	134.6	126.1	-155.9	-94.4	0	0	0	115.3
224	P	44.6	Very low	38	Very low	85 Å²	85	138 Å²	138	55%	0.552	76%	0.762	S	S	*	*			trans	-105.4	175.4	-169	41.2	-36.9	0	0	0	115.6
225	N	40	Very low	37.9	Very low	125 Å²	125	137.9 Å²	137.9	67%	0.668	76%	0.761	S	S	*	*			trans	124.8	145.3	148.5	-68.3	-16.7	0	0	0	117.3
226	D	33.3	Very low	38.5	Very low	135 Å²	135	140.8 Å²	140.8	72%	0.722	77%	0.768	S	S	*	*			trans	64.2	102.4	152.8	-59.4	-21.6	0	0	0	121
227	S	44.7	Very low	38.5	Very low	130 Å²	130	145.4 Å²	145.4	91%	0.909	78%	0.778	S	S	*	*			trans	-147.2	91	134.2	-79.4	0	0	0	0	110.8
228	L	36.5	Very low	38.6	Very low	166 Å²	166	147.1 Å²	147.1	87%	0.869	78%	0.778	S	S	*	*			trans	-62.2	140.7	167.4	-85.3	157.4	0	0	0	111.6
229	S	39.2	Very low	38.6	Very low	106 Å²	106	145.9 Å²	145.9	74%	0.741	78%	0.775	S	S	*	*			trans	-150.2	101.1	149.3	-169.4	0	0	0	0	111.1
230	T	37.4	Very low	38.7	Very low	103 Å²	103	143.7 Å²	143.7	63%	0.632	77%	0.77	S	S	*	*			trans	24	140.8	135.1	57.1	0	0	0	0	118.8
231	N	41.7	Very low	38.7	Very low	140 Å²	140	143.5 Å²	143.5	75%	0.749	77%	0.773	S	S	*	*			cis	-161.1	125.6	38.1	18.9	39.7	0	0	0	110
232	E	40.9	Very low	38.8	Very low	177 Å²	177	142.6 Å²	142.6	83%	0.827	77%	0.772	S	S	*	*				82.1	128	76.3	-179.2	165.2	-150.5	0	0	113
233	V	38.7	Very low	38.7	Very low	127 Å²	127	143.4 Å²	143.4	77%	0.77	77%	0.768	S	S	*	*			cis	-137.9	149.9	20.2	-166.1	0	0	0	0	112.3
234	P	37.5	Very low	38.3	Very low	109 Å²	109	141.2 Å²	141.2	71%	0.708	77%	0.765	S	S	*	*			trans	-102.1	148.2	170.5	37.1	-32.1	0	0	0	115.4
235	S	37.9	Very low	38.1	Very low	109 Å²	109	143.1 Å²	143.1	76%	0.762	78%	0.781	S	S	*	*			trans	-123.2	77.3	178.7	71.2	0	0	0	0	116.5
236	K	42.4	Very low	38	Very low	190 Å²	190	144.4 Å²	144.4	83%	0.826	79%	0.788	S	S	*	*			trans	36.3	98.4	135.2	8.5	-174.6	172.8	-173.8	0	118
237	F	37.3	Very low	38.1	Very low	222 Å²	222	142.4 Å²	142.4	97%	0.974	79%	0.79	S	S	*	*			trans	-72.8	137.9	143.4	-76.7	-88.5	0	0	0	109
238	K	38.4	Very low	37.7	Very low	181 Å²	181	139.9 Å²	139.9	79%	0.787	79%	0.785	S	S	*	*			trans	-133.4	105.1	174.7	-167.9	177.8	-176.9	-176.7	0	109.7
239	E	32.3	Very low	37.6	Very low	176 Å²	176	139.1 Å²	139.1	82%	0.822	78%	0.782	S	S	*	*			trans	-64.8	132.1	170.1	-176.4	-177.4	172.4	0	0	110.4
240	T	39.5	Very low	37.6	Very low	119 Å²	119	142.3 Å²	142.3	73%	0.73	79%	0.789	S	S	*	*			trans	-143.9	114.9	166.7	50.1	0	0	0	0	110.8
241	V	30.9	Very low	37.4	Very low	130 Å²	130	146.7 Å²	146.7	79%	0.788	80%	0.8	S	S	*	*			trans	-73.5	136.1	172.1	-178.4	0	0	0	0	110.6
242	S	43.2	Very low	37.1	Very low	112 Å²	112	145.4 Å²	145.4	78%	0.783	80%	0.802	S	S	*	*			trans	-159.8	99.3	161.6	-173.6	0	0	0	0	108
243	K	38.4	Very low	36.6	Very low	165 Å²	165	144.8 Å²	144.8	72%	0.717	80%	0.804	S	S	*	*				88.7	101.3	79.3	-174.6	171.9	-176.4	177.8	0	113
244	E	30.3	Very low	36.2	Very low	158 Å²	158	145.4 Å²	145.4	74%	0.738	81%	0.808	S	S	*	*			trans	59.3	109.4	134.9	-160.5	175.2	-165.3	0	0	119.5
245	S	40.2	Very low	36.1	Very low	126 Å²	126	146.4 Å²	146.4	88%	0.881	81%	0.812	S	S	*	*			trans	-143	108.4	148.4	62.7	0	0	0	0	108.9
246	D	36.5	Very low	35.8	Very low	151 Å²	151	145.3 Å²	145.3	81%	0.807	80%	0.797	S	S	*	*			trans	-104.4	157.3	179.3	-167.2	11.2	0	0	0	110.8
247	A	36.6	Very low	35.6	Very low	93 Å²	93	141.3 Å²	141.3	77%	0.769	79%	0.791	S	S	*	*			trans	54.3	127.6	166.9	0	0	0	0	0	120.3
248	G	35.4	Very low	35.5	Very low	78 Å²	78	138.4 Å²	138.4	80%	0.804	78%	0.78	S	S	*	*			trans	152	112.1	152.1	0	0	0	0	0	115.7
249	D	34	Very low	35.1	Very low	149 Å²	149	136 Å²	136	80%	0.797	78%	0.776	S	S	*	*			trans	-21.6	140.1	167.9	-75.8	-59.4	0	0	0	117.9
250	L	39.8	Very low	35.1	Very low	173 Å²	173	134.8 Å²	134.8	91%	0.906	77%	0.773	S	S	*	*				-173.3	137.5	101.4	-94.6	171.8	0	0	0	113.3
251	K	33.6	Very low	34.6	Very low	196 Å²	196	136.5 Å²	136.5	85%	0.852	78%	0.776	S	S	*	*			trans	-71.5	137.2	171.7	-65.9	158.8	175.1	164.6	0	111.1
252	S	35.1	Very low	34.4	Very low	113 Å²	113	135 Å²	135	79%	0.79	77%	0.771	S	S	*	*				-171.6	139.4	116.4	61.8	0	0	0	0	112.8
253	N	31.2	Very low	33.7	Very low	164 Å²	164	134.7 Å²	134.7	88%	0.877	77%	0.769	S	S	*	*			trans	-78.9	123.2	172.8	-65.3	-20.3	0	0	0	110.8
254	V	30	Very low	33.2	Very low	140 Å²	140	131.5 Å²	131.5	85%	0.848	77%	0.768	S	S	*	*			trans	-148.6	107.9	136.5	-177.4	0	0	0	0	106.8
255	V	33.9	Very low	33.1	Very low	129 Å²	129	127 Å²	127	78%	0.782	76%	0.764	S	S	*	*			trans	-117.8	126.6	168.8	173.7	0	0	0	0	107.8
256	D	31.6	Very low	32.5	Very low	87 Å²	87	130.3 Å²	130.3	47%	0.465	76%	0.763	S	S	.	*			trans	-65.1	134.3	-178.2	-170.1	-31.7	0	0	0	110.6	H258 D259	D256-H258 PolarHBondContact O-N 3.41Å; D256-H258 WeakPolarHBondContact OD1-CB 3.45Å; D256-H258 IonicContact OD1-CD2 2.84Å; D256-H258 PolarHBondContact OD1-CD2 3Å; D256-H258 IonicContact OD1-CG 3.77Å; D256-H258 PolarHBondContact OD1-N 2.92Å; D256-D259 PolarHBondContact O-N 3.41Å
257	P	39.4	Very low	32.2	Very low	105 Å²	105	127.6 Å²	127.6	68%	0.682	76%	0.756	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.7	-10	173.2	-26	35.5	0	0	0	116
258	H	34.3	Very low	32	Very low	162 Å²	162	128.3 Å²	128.3	75%	0.75	75%	0.75	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.8	-8.9	-176.1	-69.5	-63.7	0	0	0	116.2	D256 I260	D256-H258 PolarHBondContact O-N 3.41Å; D256-H258 WeakPolarHBondContact OD1-CB 3.45Å; D256-H258 IonicContact OD1-CD2 2.84Å; D256-H258 PolarHBondContact OD1-CD2 3Å; D256-H258 IonicContact OD1-CG 3.77Å; D256-H258 PolarHBondContact OD1-N 2.92Å; H258-I260 PolarHBondContact O-N 3.25Å
259	D	31.7	Very low	31.9	Very low	131 Å²	131	132 Å²	132	70%	0.701	74%	0.744	S	S	*	*			trans	-91.9	14.5	-176.3	-96.4	-19.9	0	0	0	115.7	D256 I261	D256-D259 PolarHBondContact O-N 3.41Å; D259-I261 PolarHBondContact O-N 2.85Å
260	I	31.5	Very low	32.3	Very low	149 Å²	149	132.9 Å²	132.9	76%	0.764	74%	0.737	S	S	*	*			trans	-76.2	8.8	-173	-61.1	176.5	0	0	0	113.4	H258	H258-I260 PolarHBondContact O-N 3.25Å
261	I	28.1	Very low	32.6	Very low	156 Å²	156	128.4 Å²	128.4	80%	0.8	71%	0.714	S	S	*	*			trans	-124.8	50	-178.9	-39.3	-177.8	0	0	0	112.2	D259 S263	D259-I261 PolarHBondContact O-N 2.85Å; I261-S263 VanDerWaalsContact C-N 3.35Å; I261-S263 PolarHBondContact O-N 3.12Å
262	S	27.4	Very low	33.2	Very low	98 Å²	98	125.4 Å²	125.4	69%	0.685	70%	0.703	S	S	*	*			trans	-79.4	88.2	156.6	-172.1	0	0	0	0	109.5	S264	S262-S264 VanDerWaalsContact C-N 3.26Å; S262-S264 PolarHBondContact O-N 3.44Å; S262-S264 PolarHBondContact O-OG 3.47Å; S262-S264 PolarHBondContact OG-OG 2.89Å
263	S	29.4	Very low	33.8	Very low	105 Å²	105	127.6 Å²	127.6	73%	0.734	70%	0.696	S	S	*	*			trans	-65.7	81.7	173.6	175.5	0	0	0	0	110.9	I261	I261-S263 VanDerWaalsContact C-N 3.35Å; I261-S263 PolarHBondContact O-N 3.12Å
264	S	26.2	Very low	34.6	Very low	98 Å²	98	121.8 Å²	121.8	69%	0.685	67%	0.666	S	S	*	*			trans	-131.4	105.1	179.7	50	0	0	0	0	110.4	S262	S262-S264 VanDerWaalsContact C-N 3.26Å; S262-S264 PolarHBondContact O-N 3.44Å; S262-S264 PolarHBondContact O-OG 3.47Å; S262-S264 PolarHBondContact OG-OG 2.89Å
265	G	29.2	Very low	35.8	Very low	64 Å²	64	118 Å²	118	66%	0.66	64%	0.64	S	S	*	*	S	Bend	trans	161.2	-36.5	170.1	0	0	0	0	0	118.3
266	F	27.7	Very low	36.8	Very low	195 Å²	195	115.4 Å²	115.4	86%	0.855	62%	0.622	S	S	*	*	S	Bend	trans	-127.9	2.5	-155.7	-67.1	-74.5	0	0	0	118
267	S	30.4	Very low	37.8	Very low	95 Å²	95	113.4 Å²	113.4	66%	0.664	61%	0.611	S	S	*	*	S	Bend	trans	-118.4	24.5	-156.9	64.3	0	0	0	0	118
268	V	32.4	Very low	38.6	Very low	107 Å²	107	108.9 Å²	108.9	65%	0.648	58%	0.582	S	S	*	*	S	Bend	trans	-126.3	-34.6	-174.4	-177.6	0	0	0	0	115.2
269	K	34.1	Very low	39.6	Very low	156 Å²	156	104 Å²	104	68%	0.678	56%	0.563	S	S	*	*	H	α-helix	trans	-74.2	-35.5	-170.7	-64.7	-170.3	178	-174.9	0	114.7	Y273	K269-Y273 WeakPolarHBondContact O-CD2 3.36Å; K269-Y273 PolarHBondContact O-N 3.43Å
270	Y	40.9	Very low	40.7	Very low	168 Å²	168	101.6 Å²	101.6	66%	0.659	55%	0.55	S	S	*	.	H	α-helix	trans	-75.7	-31.5	-171.2	-59.3	-70.3	0	0	0	113.4	Y273 V274	Y270-Y273 PolarHBondContact O-N 2.82Å; Y270-V274 WeakPolarHBondContact O-CG2 3.22Å; Y270-V274 PolarHBondContact O-N 2.99Å; Y270-V274 VanDerWaalsContact O-N 3.13Å
271	D	46.9	Very low	41.7	Very low	79 Å²	79	95.5 Å²	95.5	42%	0.422	52%	0.518	S	S	.	.	H	α-helix	trans	-67	-42.7	175.9	-122.8	0.3	0	0	0	111	Y273 V274 L275	D271-Y273 VanDerWaalsContact C-N 3.32Å; D271-Y273 PolarHBondContact O-N 3.36Å; D271-V274 PolarHBondContact O-N 3.42Å; D271-L275 VanDerWaalsContact O-CB 3.3Å; D271-L275 WeakPolarHBondContact O-CB 3.27Å; D271-L275 WeakPolarHBondContact O-CG 3.5Å; D271-L275 PolarHBondContact O-N 3.16Å
272	E	46	Very low	42.9	Very low	132 Å²	132	89.9 Å²	89.9	62%	0.617	49%	0.491	S	S	*	.	H	α-helix	trans	-58.8	-41.3	174.5	-170.7	177.7	-166.8	0	0	111.5	N276	E272-N276 WeakPolarHBondContact O-CB 3.49Å; E272-N276 PolarHBondContact O-N 3.24Å
273	Y	47.2	Very low	43.7	Very low	160 Å²	160	88.1 Å²	88.1	63%	0.627	48%	0.476	S	S	*	.	H	α-helix	trans	-65.9	-45.4	176.5	-94.3	-95	0	0	0	113.3	K269 Y270 D271 N276 N277	K269-Y273 WeakPolarHBondContact O-CD2 3.36Å; K269-Y273 PolarHBondContact O-N 3.43Å; Y270-Y273 PolarHBondContact O-N 2.82Å; D271-Y273 VanDerWaalsContact C-N 3.32Å; D271-Y273 PolarHBondContact O-N 3.36Å; Y273-N276 PolarHBondContact O-N 2.94Å; Y273-N277 PolarHBondContact O-N 3.27Å; Y273-N277 PolarHBondContact O-OD1 3.32Å
274	V	47.7	Very low	44.4	Very low	42 Å²	42	89.5 Å²	89.5	26%	0.255	47%	0.465	S	S	.	.	H	α-helix	trans	-67.5	-43.8	179.9	176.4	0	0	0	0	110.7	Y270 D271 N276 N277 V278	Y270-V274 WeakPolarHBondContact O-CG2 3.22Å; Y270-V274 PolarHBondContact O-N 2.99Å; Y270-V274 VanDerWaalsContact O-N 3.13Å; D271-V274 PolarHBondContact O-N 3.42Å; V274-N276 VanDerWaalsContact C-N 3.33Å; V274-N276 PolarHBondContact O-N 3.08Å; V274-N277 PolarHBondContact O-N 2.92Å; V274-V278 WeakPolarHBondContact O-CG2 3.24Å; V274-V278 PolarHBondContact O-N 3.3Å
275	L	55.5	Low	45.4	Very low	59 Å²	59	86.3 Å²	86.3	31%	0.309	44%	0.442	S	S	.	.	H	α-helix	trans	-62.6	-39.4	173.9	-72.9	169.3	0	0	0	111.6	D271 T279	D271-L275 VanDerWaalsContact O-CB 3.3Å; D271-L275 WeakPolarHBondContact O-CB 3.27Å; D271-L275 WeakPolarHBondContact O-CG 3.5Å; D271-L275 PolarHBondContact O-N 3.16Å; L275-T279 WeakPolarHBondContact O-CB 3.47Å; L275-T279 PolarHBondContact O-N 3.23Å; L275-T279 PolarHBondContact O-OG1 2.58Å
276	N	55.2	Low	46.3	Very low	76 Å²	76	88 Å²	88	41%	0.406	43%	0.432	S	S	.	.	H	α-helix	trans	-65.3	-44.1	175.9	-176.8	57	0	0	0	111.7	E272 Y273 V274 V278 T279 I280	E272-N276 WeakPolarHBondContact O-CB 3.49Å; E272-N276 PolarHBondContact O-N 3.24Å; Y273-N276 PolarHBondContact O-N 2.94Å; V274-N276 VanDerWaalsContact C-N 3.33Å; V274-N276 PolarHBondContact O-N 3.08Å; N276-V278 PolarHBondContact O-N 2.75Å; N276-T279 PolarHBondContact O-N 3.39Å; N276-I280 VanDerWaalsContact ND2-CD1 3.34Å; N276-I280 WeakPolarHBondContact ND2-CD1 3.23Å; N276-I280 VanDerWaalsContact O-CB 3.31Å; N276-I280 WeakPolarHBondContact O-CB 3.45Å; N276-I280 WeakPolarHBondContact O-CG1 3.47Å; N276-I280 PolarHBondContact O-N 3.27Å
277	N	52	Low	46.9	Very low	44 Å²	44	85.3 Å²	85.3	24%	0.235	42%	0.423	C	S	.	.	H	α-helix	trans	-65.8	-39.8	177.4	-71.6	11.9	0	0	0	112	E56 Y273 V274 M281	E56-N277 PolarHBondContact OE1-ND2 3.37Å; Y273-N277 PolarHBondContact O-N 3.27Å; Y273-N277 PolarHBondContact O-OD1 3.32Å; V274-N277 PolarHBondContact O-N 2.92Å; N277-M281 WeakPolarHBondContact O-CG 3.31Å; N277-M281 PolarHBondContact O-N 2.92Å
278	V	56.5	Low	47.3	Very low	10 Å²	10	83.9 Å²	83.9	6%	0.061	41%	0.407	C	S	.	.	H	α-helix	trans	-64.7	-43.6	172.9	173.3	0	0	0	0	111	F26 L53 L181 V274 N276 M281 V282	F26-V278 HydrophobicContact CE1-CG2 4.15Å; L53-V278 HydrophobicContact CD2-CG2 4.36Å; L181-V278 HydrophobicContact CD1-CG1 4.4Å; V274-V278 WeakPolarHBondContact O-CG2 3.24Å; V274-V278 PolarHBondContact O-N 3.3Å; N276-V278 PolarHBondContact O-N 2.75Å; V278-M281 PolarHBondContact O-N 3.09Å; V278-V282 HydrophobicContact CG1-CG2 4.48Å; V278-V282 WeakPolarHBondContact O-CB 3.47Å; V278-V282 VanDerWaalsContact O-CG2 3.3Å; V278-V282 WeakPolarHBondContact O-CG2 3.43Å; V278-V282 PolarHBondContact O-N 2.73Å
279	T	56.1	Low	47.9	Very low	59 Å²	59	82.9 Å²	82.9	36%	0.362	40%	0.403	S	S	.	.	H	α-helix	trans	-63.9	-46.6	178.5	-59.4	0	0	0	0	111.3	L275 N276 M281 V282 T283	L275-T279 WeakPolarHBondContact O-CB 3.47Å; L275-T279 PolarHBondContact O-N 3.23Å; L275-T279 PolarHBondContact O-OG1 2.58Å; N276-T279 PolarHBondContact O-N 3.39Å; T279-M281 PolarHBondContact O-N 2.89Å; T279-V282 PolarHBondContact O-N 3.06Å; T279-T283 PolarHBondContact O-N 3.43Å; T279-T283 PolarHBondContact O-OG1 3.34Å
280	I	55	Low	48.5	Very low	82 Å²	82	80.2 Å²	80.2	42%	0.421	40%	0.4	S	S	.	.	H	α-helix	trans	-59.8	-43.9	176	-72.2	167	0	0	0	110.6	N276 T283 W284	N276-I280 VanDerWaalsContact ND2-CD1 3.34Å; N276-I280 WeakPolarHBondContact ND2-CD1 3.23Å; N276-I280 VanDerWaalsContact O-CB 3.31Å; N276-I280 WeakPolarHBondContact O-CB 3.45Å; N276-I280 WeakPolarHBondContact O-CG1 3.47Å; N276-I280 PolarHBondContact O-N 3.27Å; I280-T283 PolarHBondContact O-N 3.44Å; I280-T283 PolarHBondContact O-OG1 2.97Å; I280-W284 VanDerWaalsContact O-CB 3.24Å; I280-W284 WeakPolarHBondContact O-CB 3.45Å; I280-W284 PolarHBondContact O-N 3.48Å
281	M	51.4	Low	48.8	Very low	21 Å²	21	76 Å²	76	10%	0.103	39%	0.388	C	S	.	.	H	α-helix	trans	-70.2	-33.4	178.1	-71.9	-134.3	-76.3	0	0	112.9	L49 K52 L53 N277 V278 T279 V285	L49-M281 HydrophobicContact CD1-CE 3.86Å; L49-M281 HydrophobicContact CD1-SD 4.01Å; K52-M281 HydrophobicContact CD-CE 4.38Å; K52-M281 HydrophobicContact CD-SD 4.06Å; K52-M281 PolarHBondContact NZ-SD 2.83Å; L53-M281 HydrophobicContact CD1-CE 4.4Å; L53-M281 HydrophobicContact CD2-CE 3.36Å; L53-M281 HydrophobicContact CG-CE 3.51Å; N277-M281 WeakPolarHBondContact O-CG 3.31Å; N277-M281 PolarHBondContact O-N 2.92Å; V278-M281 PolarHBondContact O-N 3.09Å; T279-M281 PolarHBondContact O-N 2.89Å; M281-V285 WeakPolarHBondContact O-CB 3.41Å; M281-V285 VanDerWaalsContact O-CG2 3.22Å; M281-V285 WeakPolarHBondContact O-CG2 3.47Å; M281-V285 PolarHBondContact O-N 3.19Å; M281-V285 VanDerWaalsContact O-N 3.12Å
282	V	53.2	Low	48.6	Very low	37 Å²	37	76.7 Å²	76.7	22%	0.224	39%	0.387	C	S	.	.	H	α-helix	trans	-67.7	-41.1	173.7	170.1	0	0	0	0	111.7	I179 I196 V278 T279 H286	I179-V282 HydrophobicContact CD1-CG1 4.1Å; I196-V282 HydrophobicContact CD1-CG1 4.2Å; V278-V282 HydrophobicContact CG1-CG2 4.48Å; V278-V282 WeakPolarHBondContact O-CB 3.47Å; V278-V282 VanDerWaalsContact O-CG2 3.3Å; V278-V282 WeakPolarHBondContact O-CG2 3.43Å; V278-V282 PolarHBondContact O-N 2.73Å; T279-V282 PolarHBondContact O-N 3.06Å; V282-H286 PolarHBondContact O-N 3.05Å
283	T	45	Very low	48.7	Very low	61 Å²	61	80.3 Å²	80.3	37%	0.374	40%	0.395	S	S	.	.	H	α-helix	trans	-68.2	-42.2	175.2	55.1	0	0	0	0	111.7	T279 I280 V285 H286 E287	T279-T283 PolarHBondContact O-N 3.43Å; T279-T283 PolarHBondContact O-OG1 3.34Å; I280-T283 PolarHBondContact O-N 3.44Å; I280-T283 PolarHBondContact O-OG1 2.97Å; T283-V285 PolarHBondContact O-N 2.93Å; T283-H286 PolarHBondContact O-N 2.92Å; T283-E287 PolarHBondContact O-N 2.89Å
284	W	44.2	Very low	48.2	Very low	134 Å²	134	76 Å²	76	51%	0.508	40%	0.4	S	S	.	.	H	α-helix	trans	-66.5	-37	-177.1	-148.3	52.1	0	0	0	113.2	I280 H286 D288 I291	I280-W284 VanDerWaalsContact O-CB 3.24Å; I280-W284 WeakPolarHBondContact O-CB 3.45Å; I280-W284 PolarHBondContact O-N 3.48Å; W284-H286 VanDerWaalsContact C-N 3.26Å; W284-H286 PolarHBondContact O-N 3.27Å; W284-D288 PolarHBondContact O-N 2.99Å; W284-I291 HydrophobicContact CH2-CD1 4.39Å; W284-I291 HydrophobicContact CZ2-CD1 4.2Å
285	V	47.7	Very low	47.4	Very low	31 Å²	31	78.1 Å²	78.1	19%	0.188	43%	0.431	C	S	.	.	H	α-helix	trans	-65.2	-29	172.5	170.2	0	0	0	0	112	F40 M281 T283 F292	F40-V285 HydrophobicContact CE1-CG1 4.02Å; F40-V285 HydrophobicContact CZ-CG1 4.29Å; M281-V285 WeakPolarHBondContact O-CB 3.41Å; M281-V285 VanDerWaalsContact O-CG2 3.22Å; M281-V285 WeakPolarHBondContact O-CG2 3.47Å; M281-V285 PolarHBondContact O-N 3.19Å; M281-V285 VanDerWaalsContact O-N 3.12Å; T283-V285 PolarHBondContact O-N 2.93Å; V285-F292 HydrophobicContact CG2-CD2 4.39Å; V285-F292 HydrophobicContact CG2-CE2 3.75Å; V285-F292 HydrophobicContact CG2-CZ 4.33Å
286	H	46.2	Very low	46.3	Very low	99 Å²	99	82.5 Å²	82.5	46%	0.458	49%	0.49	S	S	.	.	H	α-helix	trans	-85.7	-38.3	179.8	-166.9	-15.6	0	0	0	113	Y198 V282 T283 W284	Y198-H286 AromaticContact CD1-NE2 3.95Å; V282-H286 PolarHBondContact O-N 3.05Å; T283-H286 PolarHBondContact O-N 2.92Å; W284-H286 VanDerWaalsContact C-N 3.26Å; W284-H286 PolarHBondContact O-N 3.27Å
287	E	41.8	Very low	45.8	Very low	140 Å²	140	82.9 Å²	82.9	65%	0.654	49%	0.494	S	S	*	.	H	α-helix	trans	-69.6	-38	-177.8	-75.4	-175	172.1	0	0	113	T283	T283-E287 PolarHBondContact O-N 2.89Å
288	D	38.8	Very low	45.5	Very low	64 Å²	64	84.9 Å²	84.9	34%	0.342	51%	0.508	S	S	.	.			trans	-134.8	83.2	174.5	-167.6	-6.8	0	0	0	112.8	W284 T290 I291	W284-D288 PolarHBondContact O-N 2.99Å; D288-T290 PolarHBondContact O-N 2.99Å; D288-T290 VanDerWaalsContact O-N 3.09Å; D288-T290 WeakPolarHBondContact OD1-CA 3.24Å; D288-T290 VanDerWaalsContact OD1-CB 3.31Å; D288-T290 WeakPolarHBondContact OD1-CB 3.14Å; D288-T290 PolarHBondContact OD1-N 3.44Å; D288-T290 PolarHBondContact OD1-OG1 3.3Å; D288-I291 HydrophobicContact CB-CD1 3.81Å; D288-I291 HydrophobicContact CB-CG1 4Å; D288-I291 PolarHBondContact O-N 3.12Å
289	P	44.1	Very low	44.9	Very low	87 Å²	87	89.1 Å²	89.1	57%	0.565	53%	0.533	S	S	*	.	G	3₁₀ helix	trans	-66.5	-7.2	174.9	28.7	-35.7	0	0	0	113.2	I291	P289-I291 VanDerWaalsContact C-N 3.32Å
290	T	46.6	Very low	44.2	Very low	99 Å²	99	90.8 Å²	90.8	61%	0.607	54%	0.543	S	S	*	.	G	3₁₀ helix	trans	-77.8	-18.3	177.1	74.8	0	0	0	0	112.9	D288 F292 R293	D288-T290 PolarHBondContact O-N 2.99Å; D288-T290 VanDerWaalsContact O-N 3.09Å; D288-T290 WeakPolarHBondContact OD1-CA 3.24Å; D288-T290 VanDerWaalsContact OD1-CB 3.31Å; D288-T290 WeakPolarHBondContact OD1-CB 3.14Å; D288-T290 PolarHBondContact OD1-N 3.44Å; D288-T290 PolarHBondContact OD1-OG1 3.3Å; T290-F292 PolarHBondContact O-N 3.12Å; T290-R293 PolarHBondContact O-N 2.84Å
291	I	47.2	Very low	43.5	Very low	81 Å²	81	91.4 Å²	91.4	42%	0.415	55%	0.55	S	S	.	*	G	3₁₀ helix	trans	-62.4	-29.7	176	-63.4	176.4	0	0	0	112.2	W284 D288 P289	W284-I291 HydrophobicContact CH2-CD1 4.39Å; W284-I291 HydrophobicContact CZ2-CD1 4.2Å; D288-I291 HydrophobicContact CB-CD1 3.81Å; D288-I291 HydrophobicContact CB-CG1 4Å; D288-I291 PolarHBondContact O-N 3.12Å; P289-I291 VanDerWaalsContact C-N 3.32Å
292	F	44	Very low	43	Very low	92 Å²	92	96.1 Å²	96.1	40%	0.404	58%	0.58	S	S	.	*	T	Hydrogen-bonded Turn	trans	-101.7	-8.4	179.2	-65.2	-79.2	0	0	0	114.2	V285 T290 G294	V285-F292 HydrophobicContact CG2-CD2 4.39Å; V285-F292 HydrophobicContact CG2-CE2 3.75Å; V285-F292 HydrophobicContact CG2-CZ 4.33Å; T290-F292 PolarHBondContact O-N 3.12Å; F292-G294 PolarHBondContact O-N 3.43Å
293	R	46.4	Very low	42.3	Very low	208 Å²	208	100.3 Å²	100.3	79%	0.785	61%	0.605	S	S	*	*	S	Bend	trans	-75.2	80.9	172	-174.5	175.9	-100.6	-131.9	-2.6	109.2	T290 G295	T290-R293 PolarHBondContact O-N 2.84Å; R293-G295 PolarHBondContact O-N 3.12Å; R293-G295 VanDerWaalsContact O-N 3.13Å
294	G	38.2	Very low	42.1	Very low	70 Å²	70	103.3 Å²	103.3	72%	0.722	62%	0.623	S	S	*	*			trans	-48.5	119.3	173.9	0	0	0	0	0	110.5	F292 G296	F292-G294 PolarHBondContact O-N 3.43Å; G294-G296 PolarHBondContact O-N 3.38Å
295	G	31.2	Very low	41.9	Very low	87 Å²	87	100.8 Å²	100.8	90%	0.897	63%	0.633	S	S	*	*			trans	-61.5	129.3	-172.2	0	0	0	0	0	112.5	R293	R293-G295 PolarHBondContact O-N 3.12Å; R293-G295 VanDerWaalsContact O-N 3.13Å
296	G	30.8	Very low	41.4	Very low	151 Å²	151	107.1 Å²	107.1	100%	1.557	67%	0.673	S	S	*	*			trans	-142.1	0	169.4	0	0	0	0	0	109.7	G294	G294-G296 PolarHBondContact O-N 3.38Å

Retrieved 296 of 296 residues in 143.8 ms (Link to these results)

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