A0A077ZED8_TRITR Loading...

DNA repair protein rad-5

AlphaFold DB , UniProt , Accession A0A077ZED8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 152 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	59.7	Low	77	Confident	130 Å²	130	89.5 Å²	89.5	64%	0.64	43%	0.429	S	S	*	.				0	121.3	0	-93	-168.4	-108.3	0	0	110.8	K6 R9 E138	M1-K6 HydrophobicContact CB-CG 4.2Å; M1-K6 HydrophobicContact SD-CG 4.38Å; M1-R9 VanDerWaalsContact SD-CZ 3.52Å; M1-R9 PolarHBondContact SD-NH1 2.93Å; M1-E138 WeakPolarHBondContact CE-OE1 3.35Å
2	D	76.7	Confident	77.4	Confident	92 Å²	92	88.8 Å²	88.8	49%	0.492	43%	0.425	S	S	.	.			trans	-61.6	149.9	173.1	-177.8	23	0	0	0	111.8	K4 S5 K6	D2-K4 PolarHBondContact O-N 3.4Å; D2-K4 VanDerWaalsContact OD2-CB 3.28Å; D2-K4 WeakPolarHBondContact OD2-CB 3.37Å; D2-K4 WeakPolarHBondContact OD2-CG 3.28Å; D2-S5 PolarHBondContact N-OG 3.38Å; D2-S5 PolarHBondContact O-N 3.49Å; D2-S5 VanDerWaalsContact O-N 3.15Å; D2-S5 PolarHBondContact O-OG 3.25Å; D2-K6 PolarHBondContact O-N 3.46Å; D2-K6 VanDerWaalsContact O-N 3.08Å
3	T	78.2	Confident	77.7	Confident	59 Å²	59	85.9 Å²	85.9	36%	0.362	42%	0.42	S	S	.	.	H	α-helix	trans	-56.9	-34.2	174.1	55	0	0	0	0	112.6	K6 K7	T3-K6 PolarHBondContact O-N 3.21Å; T3-K7 WeakPolarHBondContact O-CG 3.2Å; T3-K7 PolarHBondContact O-N 2.95Å
4	K	79.1	Confident	78.1	Confident	161 Å²	161	80.8 Å²	80.8	70%	0.7	40%	0.395	S	S	*	.	H	α-helix	trans	-63.3	-44.2	174.9	-63.5	-178.7	177.5	178.7	0	111.7	D2 K7 R8	D2-K4 PolarHBondContact O-N 3.4Å; D2-K4 VanDerWaalsContact OD2-CB 3.28Å; D2-K4 WeakPolarHBondContact OD2-CB 3.37Å; D2-K4 WeakPolarHBondContact OD2-CG 3.28Å; K4-K7 PolarHBondContact O-N 3.01Å; K4-R8 PolarHBondContact O-N 3.46Å
5	S	79.2	Confident	78.3	Confident	41 Å²	41	84.8 Å²	84.8	29%	0.287	41%	0.413	S	S	.	.	H	α-helix	trans	-68.7	-37.8	179.1	70.5	0	0	0	0	112.1	D2 R8 R9	D2-S5 PolarHBondContact N-OG 3.38Å; D2-S5 PolarHBondContact O-N 3.49Å; D2-S5 VanDerWaalsContact O-N 3.15Å; D2-S5 PolarHBondContact O-OG 3.25Å; S5-R8 PolarHBondContact O-N 3.08Å; S5-R9 WeakPolarHBondContact O-CG 3.39Å; S5-R9 PolarHBondContact O-N 2.93Å
6	K	76.3	Confident	78.5	Confident	66 Å²	66	89.9 Å²	89.9	29%	0.287	43%	0.426	S	S	.	.	H	α-helix	trans	-60.7	-44.9	172.7	-68.9	-173.8	-179.1	-173.2	0	112.1	M1 D2 T3 R9 L10 L79	M1-K6 HydrophobicContact CB-CG 4.2Å; M1-K6 HydrophobicContact SD-CG 4.38Å; D2-K6 PolarHBondContact O-N 3.46Å; D2-K6 VanDerWaalsContact O-N 3.08Å; T3-K6 PolarHBondContact O-N 3.21Å; K6-R9 PolarHBondContact O-N 3.15Å; K6-L10 WeakPolarHBondContact O-CB 3.45Å; K6-L10 PolarHBondContact O-N 2.88Å; K6-L79 HydrophobicContact CB-CD1 4.46Å
7	K	78.7	Confident	78.7	Confident	79 Å²	79	85.3 Å²	85.3	34%	0.343	41%	0.405	S	S	.	.	H	α-helix	trans	-62.7	-42.9	175.8	-75.5	-176	178.8	-171.1	0	112	T3 K4 L10 A11 L79	T3-K7 WeakPolarHBondContact O-CG 3.2Å; T3-K7 PolarHBondContact O-N 2.95Å; K4-K7 PolarHBondContact O-N 3.01Å; K7-L10 PolarHBondContact O-N 3.36Å; K7-A11 WeakPolarHBondContact O-CB 3.31Å; K7-A11 PolarHBondContact O-N 3.3Å; K7-L79 HydrophobicContact CG-CD1 4.41Å
8	R	79.8	Confident	79	Confident	181 Å²	181	86.7 Å²	86.7	68%	0.683	41%	0.406	S	S	*	.	H	α-helix	trans	-61.4	-48.4	176.7	-172.9	178	-179.8	-178	1	111.6	K4 S5 L10 A11 Q12	K4-R8 PolarHBondContact O-N 3.46Å; S5-R8 PolarHBondContact O-N 3.08Å; R8-L10 VanDerWaalsContact C-N 3.32Å; R8-L10 PolarHBondContact O-N 3.47Å; R8-A11 PolarHBondContact O-N 2.91Å; R8-Q12 WeakPolarHBondContact O-CG 3.33Å; R8-Q12 PolarHBondContact O-N 2.91Å
9	R	78.3	Confident	79.2	Confident	109 Å²	109	85.9 Å²	85.9	41%	0.411	41%	0.41	S	S	.	.	H	α-helix	trans	-58.3	-44.6	175.9	-74.3	-175.5	-178.6	-170.7	3.6	111.3	M1 S5 K6 Q12 S13 E138	M1-R9 VanDerWaalsContact SD-CZ 3.52Å; M1-R9 PolarHBondContact SD-NH1 2.93Å; S5-R9 WeakPolarHBondContact O-CG 3.39Å; S5-R9 PolarHBondContact O-N 2.93Å; K6-R9 PolarHBondContact O-N 3.15Å; R9-Q12 WeakPolarHBondContact O-CB 3.42Å; R9-Q12 PolarHBondContact O-N 2.9Å; R9-S13 PolarHBondContact O-N 3.22Å; R9-S13 PolarHBondContact O-OG 3.5Å; R9-E138 IonicContact CZ-OE1 3.35Å; R9-E138 IonicContact NH1-OE1 3.58Å; R9-E138 PolarHBondContact NH1-OE1 3.38Å; R9-E138 IonicContact NH2-OE1 3.54Å
10	L	81.3	Confident	79.3	Confident	11 Å²	11	85.7 Å²	85.7	6%	0.058	41%	0.409	C	S	.	.	H	α-helix	trans	-63.8	-43.1	178.7	-169	149.5	0	0	0	112.4	K6 K7 R8 Q12 S13 L14 M75 L79	K6-L10 WeakPolarHBondContact O-CB 3.45Å; K6-L10 PolarHBondContact O-N 2.88Å; K7-L10 PolarHBondContact O-N 3.36Å; R8-L10 VanDerWaalsContact C-N 3.32Å; R8-L10 PolarHBondContact O-N 3.47Å; L10-Q12 VanDerWaalsContact C-N 3.34Å; L10-Q12 PolarHBondContact O-N 2.82Å; L10-S13 PolarHBondContact O-N 3.27Å; L10-L14 HydrophobicContact CD2-CD1 3.57Å; L10-L14 HydrophobicContact CD2-CG 4.15Å; L10-L14 PolarHBondContact O-N 2.95Å; L10-M75 HydrophobicContact CD1-CB 3.56Å; L10-M75 HydrophobicContact CD1-CE 3.7Å; L10-L79 HydrophobicContact CD1-CD1 3.94Å
11	A	80.2	Confident	79.5	Confident	55 Å²	55	85.4 Å²	85.4	46%	0.455	40%	0.403	S	S	.	.	H	α-helix	trans	-61.9	-41.8	175.4	0	0	0	0	0	111.7	K7 R8 L14 Q15	K7-A11 WeakPolarHBondContact O-CB 3.31Å; K7-A11 PolarHBondContact O-N 3.3Å; R8-A11 PolarHBondContact O-N 2.91Å; A11-L14 PolarHBondContact O-N 3.3Å; A11-Q15 WeakPolarHBondContact O-CB 3.49Å; A11-Q15 PolarHBondContact O-N 3.21Å
12	Q	81.3	Confident	80.7	Confident	82 Å²	82	86.6 Å²	86.6	38%	0.383	41%	0.405	S	S	.	.	H	α-helix	trans	-62.5	-44	174.4	-72.7	171.7	-24.6	0	0	111.8	R8 R9 L10 Q15 R16	R8-Q12 WeakPolarHBondContact O-CG 3.33Å; R8-Q12 PolarHBondContact O-N 2.91Å; R9-Q12 WeakPolarHBondContact O-CB 3.42Å; R9-Q12 PolarHBondContact O-N 2.9Å; L10-Q12 VanDerWaalsContact C-N 3.34Å; L10-Q12 PolarHBondContact O-N 2.82Å; Q12-Q15 PolarHBondContact O-N 3.29Å; Q12-R16 WeakPolarHBondContact O-CG 3.43Å; Q12-R16 PolarHBondContact O-N 2.91Å
13	S	81.1	Confident	81.1	Confident	51 Å²	51	86.1 Å²	86.1	36%	0.357	41%	0.408	S	S	.	.	H	α-helix	trans	-61.7	-45.4	175.9	-62.6	0	0	0	0	111.8	R9 L10 Q15 R16 V17	R9-S13 PolarHBondContact O-N 3.22Å; R9-S13 PolarHBondContact O-OG 3.5Å; L10-S13 PolarHBondContact O-N 3.27Å; S13-Q15 VanDerWaalsContact C-N 3.32Å; S13-Q15 PolarHBondContact O-N 3.43Å; S13-R16 PolarHBondContact O-N 3.34Å; S13-V17 WeakPolarHBondContact O-CG2 3.37Å; S13-V17 PolarHBondContact O-N 3Å
14	L	82.8	Confident	81.3	Confident	14 Å²	14	84.6 Å²	84.6	7%	0.073	40%	0.397	C	S	.	.	H	α-helix	trans	-59.3	-43.5	175.3	-81.1	173.4	0	0	0	111.7	L10 A11 R16 V17 R18 E69 L72	L10-L14 HydrophobicContact CD2-CD1 3.57Å; L10-L14 HydrophobicContact CD2-CG 4.15Å; L10-L14 PolarHBondContact O-N 2.95Å; A11-L14 PolarHBondContact O-N 3.3Å; L14-R16 VanDerWaalsContact C-N 3.34Å; L14-R16 PolarHBondContact O-N 2.97Å; L14-V17 PolarHBondContact O-N 3.16Å; L14-R18 WeakPolarHBondContact O-CB 3.46Å; L14-R18 VanDerWaalsContact O-CG 3.27Å; L14-R18 WeakPolarHBondContact O-CG 3.44Å; L14-R18 PolarHBondContact O-N 3.16Å; L14-E69 HydrophobicContact CD2-CG 4.19Å; L14-L72 HydrophobicContact CD2-CB 3.37Å; L14-L72 HydrophobicContact CD2-CD1 4.04Å; L14-L72 HydrophobicContact CD2-CG 4.37Å; L14-L72 HydrophobicContact CG-CB 3.82Å; L14-L72 HydrophobicContact CG-CD1 4.28Å
15	Q	82.3	Confident	81.5	Confident	141 Å²	141	79.3 Å²	79.3	66%	0.659	38%	0.379	S	S	*	.	H	α-helix	trans	-63	-41	177.5	-173	177.6	0.7	0	0	111.8	A11 Q12 S13 R18 C19	A11-Q15 WeakPolarHBondContact O-CB 3.49Å; A11-Q15 PolarHBondContact O-N 3.21Å; Q12-Q15 PolarHBondContact O-N 3.29Å; S13-Q15 VanDerWaalsContact C-N 3.32Å; S13-Q15 PolarHBondContact O-N 3.43Å; Q15-R18 PolarHBondContact O-N 3.32Å; Q15-C19 WeakPolarHBondContact O-CB 3.16Å; Q15-C19 PolarHBondContact O-N 2.97Å
16	R	81.6	Confident	81.8	Confident	166 Å²	166	78.5 Å²	78.5	63%	0.626	38%	0.377	S	S	*	.	H	α-helix	trans	-63	-48	176.3	-73.9	178.8	-178.7	-161.5	0	111.9	Q12 S13 L14 R18 C19 Q20	Q12-R16 WeakPolarHBondContact O-CG 3.43Å; Q12-R16 PolarHBondContact O-N 2.91Å; S13-R16 PolarHBondContact O-N 3.34Å; L14-R16 VanDerWaalsContact C-N 3.34Å; L14-R16 PolarHBondContact O-N 2.97Å; R16-R18 VanDerWaalsContact C-N 3.32Å; R16-R18 PolarHBondContact O-N 3.28Å; R16-C19 WeakPolarHBondContact O-CB 3.43Å; R16-C19 PolarHBondContact O-N 3.22Å; R16-C19 VanDerWaalsContact O-N 3.16Å; R16-Q20 WeakPolarHBondContact O-CG 3.41Å; R16-Q20 PolarHBondContact O-N 3.47Å
17	V	81.7	Confident	82	Confident	12 Å²	12	79.4 Å²	79.4	7%	0.073	39%	0.385	C	S	.	.	H	α-helix	trans	-60.8	-42.7	178.4	173.4	0	0	0	0	110.9	S13 L14 C19 Q20 R21 I65 L68 E69 L72	S13-V17 WeakPolarHBondContact O-CG2 3.37Å; S13-V17 PolarHBondContact O-N 3Å; L14-V17 PolarHBondContact O-N 3.16Å; V17-C19 PolarHBondContact O-N 3.5Å; V17-Q20 PolarHBondContact O-N 2.99Å; V17-R21 PolarHBondContact O-N 3.49Å; V17-I65 HydrophobicContact CG1-CG2 3.69Å; V17-I65 WeakPolarHBondContact CG1-O 3.4Å; V17-L68 HydrophobicContact CG1-CB 4.4Å; V17-L68 HydrophobicContact CG2-CB 4.49Å; V17-E69 HydrophobicContact CG1-CB 3.97Å; V17-L72 HydrophobicContact CG2-CD1 3.84Å
18	R	83.9	Confident	82.1	Confident	110 Å²	110	77.4 Å²	77.4	42%	0.415	38%	0.377	S	S	.	.	H	α-helix	trans	-64.7	-37.7	175.3	-72.9	172.1	176.8	175.7	0.8	113.2	L14 Q15 R16 K22 E69	L14-R18 WeakPolarHBondContact O-CB 3.46Å; L14-R18 VanDerWaalsContact O-CG 3.27Å; L14-R18 WeakPolarHBondContact O-CG 3.44Å; L14-R18 PolarHBondContact O-N 3.16Å; Q15-R18 PolarHBondContact O-N 3.32Å; R16-R18 VanDerWaalsContact C-N 3.32Å; R16-R18 PolarHBondContact O-N 3.28Å; R18-K22 WeakPolarHBondContact O-CG 3.09Å; R18-K22 PolarHBondContact O-N 3.3Å; R18-K22 VanDerWaalsContact O-N 3.14Å; R18-E69 IonicContact CZ-OE1 3.6Å; R18-E69 IonicContact NE-OE1 3.59Å; R18-E69 PolarHBondContact NE-OE1 3.22Å; R18-E69 IonicContact NH2-OE1 3.9Å; R18-E69 PolarHBondContact NH2-OE1 2.93Å; R18-E69 VanDerWaalsContact NH2-OE1 3.11Å
19	C	82.7	Confident	82.4	Confident	72 Å²	72	73.8 Å²	73.8	49%	0.486	37%	0.368	S	S	.	.	H	α-helix	trans	-63.5	-49	174.3	-171.3	0	0	0	0	110.5	Q15 R16 V17 R21 K22 C23	Q15-C19 WeakPolarHBondContact O-CB 3.16Å; Q15-C19 PolarHBondContact O-N 2.97Å; R16-C19 WeakPolarHBondContact O-CB 3.43Å; R16-C19 PolarHBondContact O-N 3.22Å; R16-C19 VanDerWaalsContact O-N 3.16Å; V17-C19 PolarHBondContact O-N 3.5Å; C19-R21 VanDerWaalsContact C-N 3.3Å; C19-R21 PolarHBondContact O-N 2.96Å; C19-K22 PolarHBondContact O-N 2.96Å; C19-K22 VanDerWaalsContact O-N 3.1Å; C19-C23 PolarHBondContact O-N 3.16Å; C19-C23 PolarHBondContact O-SG 3.03Å; C19-C23 VanDerWaalsContact O-SG 3.33Å
20	Q	81.2	Confident	82.5	Confident	82 Å²	82	73.9 Å²	73.9	38%	0.383	38%	0.376	S	S	.	.	H	α-helix	trans	-56.8	-43.2	176.4	-73.2	174.3	-33.9	0	0	112.1	R16 V17 K22 C23 L24 I65	R16-Q20 WeakPolarHBondContact O-CG 3.41Å; R16-Q20 PolarHBondContact O-N 3.47Å; V17-Q20 PolarHBondContact O-N 2.99Å; Q20-K22 PolarHBondContact O-N 2.81Å; Q20-C23 PolarHBondContact O-N 3.41Å; Q20-L24 WeakPolarHBondContact O-CB 3.35Å; Q20-L24 PolarHBondContact O-N 2.85Å; Q20-I65 HydrophobicContact CB-CD1 4.06Å
21	R	84	Confident	82.4	Confident	79 Å²	79	77 Å²	77	30%	0.298	39%	0.387	S	S	.	.	H	α-helix	trans	-55.8	-53	174	-166	174.2	59.5	-157.1	-9.3	111.3	V17 C19 C23 L24 T25 L62 I65 D66 E69	V17-R21 PolarHBondContact O-N 3.49Å; C19-R21 VanDerWaalsContact C-N 3.3Å; C19-R21 PolarHBondContact O-N 2.96Å; R21-C23 VanDerWaalsContact C-N 3.34Å; R21-C23 PolarHBondContact O-N 3.12Å; R21-L24 PolarHBondContact O-N 2.83Å; R21-T25 HydrophobicContact CG-CG2 4.44Å; R21-T25 WeakPolarHBondContact O-CG2 3.19Å; R21-T25 PolarHBondContact O-N 3.4Å; R21-T25 PolarHBondContact O-OG1 3.28Å; R21-T25 VanDerWaalsContact O-OG1 3.08Å; R21-L62 HydrophobicContact CG-CD2 3.88Å; R21-I65 HydrophobicContact CB-CG2 3.75Å; R21-I65 HydrophobicContact CG-CG2 4.18Å; R21-D66 IonicContact NH1-OD1 2.86Å; R21-E69 IonicContact CZ-OE2 2.93Å; R21-E69 IonicContact NH1-OE2 3.28Å; R21-E69 PolarHBondContact NH1-OE2 2.93Å; R21-E69 IonicContact NH2-OE2 2.65Å
22	K	85.3	Confident	82.3	Confident	155 Å²	155	80.8 Å²	80.8	67%	0.674	39%	0.389	S	S	*	.	H	α-helix	trans	-60.2	-41.9	-179.7	-74	-176.2	177	-170.8	0	112.5	R18 C19 Q20 T25 G26	R18-K22 WeakPolarHBondContact O-CG 3.09Å; R18-K22 PolarHBondContact O-N 3.3Å; R18-K22 VanDerWaalsContact O-N 3.14Å; C19-K22 PolarHBondContact O-N 2.96Å; C19-K22 VanDerWaalsContact O-N 3.1Å; Q20-K22 PolarHBondContact O-N 2.81Å; K22-T25 WeakPolarHBondContact CA-OG1 3.42Å; K22-T25 PolarHBondContact O-OG1 2.91Å; K22-G26 PolarHBondContact O-N 3.1Å
23	C	83.3	Confident	82.3	Confident	82 Å²	82	83.9 Å²	83.9	55%	0.554	40%	0.397	S	S	*	.	H	α-helix	trans	-63.8	-45.6	177.5	-68.5	0	0	0	0	111.3	C19 Q20 R21 G26 L27	C19-C23 PolarHBondContact O-N 3.16Å; C19-C23 PolarHBondContact O-SG 3.03Å; C19-C23 VanDerWaalsContact O-SG 3.33Å; Q20-C23 PolarHBondContact O-N 3.41Å; R21-C23 VanDerWaalsContact C-N 3.34Å; R21-C23 PolarHBondContact O-N 3.12Å; C23-G26 PolarHBondContact O-N 3.5Å; C23-L27 WeakPolarHBondContact O-CB 3.39Å; C23-L27 PolarHBondContact O-N 2.92Å
24	L	83.6	Confident	82.1	Confident	27 Å²	27	86.6 Å²	86.6	14%	0.141	40%	0.4	C	S	.	.	H	α-helix	trans	-68	-43.1	-179.2	-174.4	59.9	0	0	0	111.9	Q20 R21 G26 L27 M28 C58 T61 L62 I65	Q20-L24 WeakPolarHBondContact O-CB 3.35Å; Q20-L24 PolarHBondContact O-N 2.85Å; R21-L24 PolarHBondContact O-N 2.83Å; L24-G26 VanDerWaalsContact C-N 3.35Å; L24-G26 PolarHBondContact O-N 3.29Å; L24-L27 PolarHBondContact O-N 3.14Å; L24-M28 WeakPolarHBondContact O-CG 3.25Å; L24-M28 PolarHBondContact O-N 3.13Å; L24-C58 HydrophobicContact CD1-CB 4.11Å; L24-C58 HydrophobicContact CG-CB 4.44Å; L24-T61 HydrophobicContact CD2-CG2 3.57Å; L24-L62 HydrophobicContact CB-CD2 4.18Å; L24-L62 HydrophobicContact CD2-CD2 3.77Å; L24-L62 HydrophobicContact CD2-CG 3.67Å; L24-L62 HydrophobicContact CG-CD2 4.11Å; L24-L62 HydrophobicContact CG-CG 4.17Å; L24-I65 HydrophobicContact CD2-CD1 4.16Å
25	T	83.8	Confident	81.6	Confident	50 Å²	50	89.1 Å²	89.1	31%	0.307	42%	0.423	S	S	.	.	H	α-helix	trans	-62.4	-43	174.2	54.8	0	0	0	0	111.4	R21 K22 L27 M28 E29 L62	R21-T25 HydrophobicContact CG-CG2 4.44Å; R21-T25 WeakPolarHBondContact O-CG2 3.19Å; R21-T25 PolarHBondContact O-N 3.4Å; R21-T25 PolarHBondContact O-OG1 3.28Å; R21-T25 VanDerWaalsContact O-OG1 3.08Å; K22-T25 WeakPolarHBondContact CA-OG1 3.42Å; K22-T25 PolarHBondContact O-OG1 2.91Å; T25-L27 VanDerWaalsContact C-N 3.33Å; T25-L27 PolarHBondContact O-N 3.29Å; T25-M28 PolarHBondContact O-N 2.79Å; T25-E29 WeakPolarHBondContact O-CG 3.37Å; T25-E29 PolarHBondContact O-N 3.27Å; T25-L62 HydrophobicContact CG2-CD1 4.17Å; T25-L62 HydrophobicContact CG2-CD2 3.83Å
26	G	83.5	Confident	81.3	Confident	24 Å²	24	89 Å²	89	25%	0.247	42%	0.422	C	S	.	.	H	α-helix	trans	-62.6	-37.8	176	0	0	0	0	0	112.8	K22 C23 L24 E29 L30	K22-G26 PolarHBondContact O-N 3.1Å; C23-G26 PolarHBondContact O-N 3.5Å; L24-G26 VanDerWaalsContact C-N 3.35Å; L24-G26 PolarHBondContact O-N 3.29Å; G26-E29 PolarHBondContact O-N 2.94Å; G26-L30 WeakPolarHBondContact O-CB 3.46Å; G26-L30 VanDerWaalsContact O-CG 3.25Å; G26-L30 WeakPolarHBondContact O-CG 3.44Å; G26-L30 PolarHBondContact O-N 3.39Å
27	L	82.2	Confident	80.6	Confident	86 Å²	86	86 Å²	86	45%	0.45	42%	0.415	S	S	.	.	H	α-helix	trans	-64.5	-43.2	174.8	-175.2	69	0	0	0	111.9	C23 L24 T25 L30 R31 F54	C23-L27 WeakPolarHBondContact O-CB 3.39Å; C23-L27 PolarHBondContact O-N 2.92Å; L24-L27 PolarHBondContact O-N 3.14Å; T25-L27 VanDerWaalsContact C-N 3.33Å; T25-L27 PolarHBondContact O-N 3.29Å; L27-L30 PolarHBondContact O-N 3.45Å; L27-R31 PolarHBondContact O-N 2.88Å; L27-F54 HydrophobicContact CD2-CE2 4.27Å; L27-F54 HydrophobicContact CD2-CZ 3.86Å; L27-F54 HydrophobicContact CG-CZ 4.01Å
28	M	80.8	Confident	79.6	Confident	36 Å²	36	94.6 Å²	94.6	18%	0.177	46%	0.455	C	S	.	.	H	α-helix	trans	-61.2	-44.9	174.9	-68.5	177.9	74.3	0	0	111.6	L24 T25 R31 R32 F54 C58 L62	L24-M28 WeakPolarHBondContact O-CG 3.25Å; L24-M28 PolarHBondContact O-N 3.13Å; T25-M28 PolarHBondContact O-N 2.79Å; M28-R31 PolarHBondContact O-N 2.87Å; M28-R32 PolarHBondContact O-N 2.9Å; M28-F54 HydrophobicContact CG-CE1 4.41Å; M28-C58 HydrophobicContact CE-CB 3.99Å; M28-C58 HydrophobicContact CG-CB 3.63Å; M28-C58 HydrophobicContact SD-CB 3.43Å; M28-C58 WeakPolarHBondContact SD-CB 3.42Å; M28-L62 HydrophobicContact SD-CD1 3.66Å
29	E	84.7	Confident	78.3	Confident	106 Å²	106	96.6 Å²	96.6	50%	0.495	47%	0.473	S	S	.	.	H	α-helix	trans	-62.6	-42.8	176.6	-73.5	175.3	-168.2	0	0	112.3	T25 G26 R31 R32 R33	T25-E29 WeakPolarHBondContact O-CG 3.37Å; T25-E29 PolarHBondContact O-N 3.27Å; G26-E29 PolarHBondContact O-N 2.94Å; E29-R31 VanDerWaalsContact C-N 3.34Å; E29-R31 PolarHBondContact O-N 2.86Å; E29-R32 PolarHBondContact O-N 2.96Å; E29-R33 WeakPolarHBondContact O-CG 3.31Å; E29-R33 PolarHBondContact O-N 3.45Å
30	L	80.9	Confident	76.9	Confident	111 Å²	111	98.1 Å²	98.1	58%	0.581	47%	0.471	S	S	*	.	H	α-helix	trans	-60.6	-44.1	176	-77.3	170	0	0	0	111.4	G26 L27 R33 R34	G26-L30 WeakPolarHBondContact O-CB 3.46Å; G26-L30 VanDerWaalsContact O-CG 3.25Å; G26-L30 WeakPolarHBondContact O-CG 3.44Å; G26-L30 PolarHBondContact O-N 3.39Å; L27-L30 PolarHBondContact O-N 3.45Å; L30-R33 PolarHBondContact O-N 3.11Å; L30-R34 WeakPolarHBondContact O-CB 3.35Å; L30-R34 PolarHBondContact O-N 3.14Å
31	R	78.7	Confident	75.7	Confident	77 Å²	77	100 Å²	100	29%	0.291	49%	0.489	S	S	.	.	H	α-helix	trans	-66.1	-41.3	178.3	-164.9	176.3	178.5	144.9	-4.9	111.6	L27 M28 E29 R34 A35 E49 D51 F54	L27-R31 PolarHBondContact O-N 2.88Å; M28-R31 PolarHBondContact O-N 2.87Å; E29-R31 VanDerWaalsContact C-N 3.34Å; E29-R31 PolarHBondContact O-N 2.86Å; R31-R34 WeakPolarHBondContact O-CB 3.48Å; R31-R34 PolarHBondContact O-N 3.13Å; R31-A35 PolarHBondContact O-N 3.2Å; R31-E49 PolarHBondContact NH2-O 3.23Å; R31-D51 IonicContact CZ-OD1 2.78Å; R31-D51 VanDerWaalsContact CZ-OD1 3.28Å; R31-D51 IonicContact NE-OD1 2.7Å; R31-D51 PolarHBondContact NE-OD1 3.39Å; R31-D51 IonicContact NH2-OD1 3.11Å; R31-D51 PolarHBondContact NH2-OD1 2.98Å; R31-F54 HydrophobicContact CB-CE1 4.23Å; R31-F54 HydrophobicContact CG-CE1 4.41Å
32	R	79.6	Confident	74.2	Confident	134 Å²	134	101.4 Å²	101.4	51%	0.506	51%	0.508	S	S	.	.	H	α-helix	trans	-60	-48	174.4	-175.3	178.8	-69	164.3	-2.2	112	M28 E29 R34 A35 E36 E55	M28-R32 PolarHBondContact O-N 2.9Å; E29-R32 PolarHBondContact O-N 2.96Å; R32-R34 VanDerWaalsContact C-N 3.26Å; R32-R34 PolarHBondContact O-N 2.97Å; R32-A35 WeakPolarHBondContact O-CB 3.43Å; R32-A35 PolarHBondContact O-N 2.77Å; R32-A35 VanDerWaalsContact O-N 3.12Å; R32-E36 WeakPolarHBondContact O-CG 3.48Å; R32-E36 PolarHBondContact O-N 3.2Å; R32-E55 IonicContact NH2-OE1 3.96Å
33	R	81	Confident	72.7	Confident	146 Å²	146	100.1 Å²	100.1	55%	0.551	51%	0.508	S	S	*	.	H	α-helix	trans	-60	-37.3	175.4	-72.4	179.1	-174.1	-177.2	4.8	112.1	E29 L30 A35 E36 Q37	E29-R33 WeakPolarHBondContact O-CG 3.31Å; E29-R33 PolarHBondContact O-N 3.45Å; L30-R33 PolarHBondContact O-N 3.11Å; R33-A35 VanDerWaalsContact C-N 3.35Å; R33-E36 PolarHBondContact O-N 2.88Å; R33-Q37 WeakPolarHBondContact O-CB 3.35Å; R33-Q37 WeakPolarHBondContact O-CG 3.46Å; R33-Q37 PolarHBondContact O-N 3.5Å
34	R	75.5	Confident	70.8	Confident	108 Å²	108	104.8 Å²	104.8	41%	0.408	52%	0.522	S	S	.	.	H	α-helix	trans	-68.5	-33.6	176.9	-156.4	-177.4	-166.7	179.6	1.7	112.4	L30 R31 R32 Q37 F40 L43	L30-R34 WeakPolarHBondContact O-CB 3.35Å; L30-R34 PolarHBondContact O-N 3.14Å; R31-R34 WeakPolarHBondContact O-CB 3.48Å; R31-R34 PolarHBondContact O-N 3.13Å; R32-R34 VanDerWaalsContact C-N 3.26Å; R32-R34 PolarHBondContact O-N 2.97Å; R34-Q37 CarbonylContact O-C 3.57Å; R34-F40 HydrophobicContact CG-CB 4.02Å; R34-F40 HydrophobicContact CG-CD2 3.56Å; R34-F40 HydrophobicContact CG-CE2 4.27Å; R34-F40 HydrophobicContact CG-CG 3.91Å; R34-L43 VanDerWaalsContact NH1-CD1 3.31Å
35	A	73.4	Confident	69.1	Low	67 Å²	67	107.1 Å²	107.1	55%	0.554	54%	0.544	S	S	*	.	H	α-helix	trans	-70.7	-34.2	174	0	0	0	0	0	112.4	R31 R32 R33	R31-A35 PolarHBondContact O-N 3.2Å; R32-A35 WeakPolarHBondContact O-CB 3.43Å; R32-A35 PolarHBondContact O-N 2.77Å; R32-A35 VanDerWaalsContact O-N 3.12Å; R33-A35 VanDerWaalsContact C-N 3.35Å
36	E	75.3	Confident	67.2	Low	138 Å²	138	109.1 Å²	109.1	65%	0.645	58%	0.575	S	S	*	*	H	α-helix	trans	-71.1	-36.1	173.9	-69.4	167.1	-172.5	0	0	112.1	R32 R33 Q38	R32-E36 WeakPolarHBondContact O-CG 3.48Å; R32-E36 PolarHBondContact O-N 3.2Å; R33-E36 PolarHBondContact O-N 2.88Å; E36-Q38 PolarHBondContact O-N 3.24Å; E36-Q38 VanDerWaalsContact O-N 3.16Å
37	Q	68.5	Low	65.8	Low	103 Å²	103	111.1 Å²	111.1	48%	0.481	60%	0.596	S	S	.	*			trans	-81	91.2	174.2	-67.8	177.6	-0.7	0	0	109.8	R33 R34 L39 F40	R33-Q37 WeakPolarHBondContact O-CB 3.35Å; R33-Q37 WeakPolarHBondContact O-CG 3.46Å; R33-Q37 PolarHBondContact O-N 3.5Å; R34-Q37 CarbonylContact O-C 3.57Å; Q37-L39 PolarHBondContact O-N 2.97Å; Q37-F40 PolarHBondContact O-N 3.46Å
38	Q	58.9	Low	64.5	Low	194 Å²	194	115.9 Å²	115.9	91%	0.907	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.9	2.1	173.1	-70.8	179.4	-10.5	0	0	115.4	E36	E36-Q38 PolarHBondContact O-N 3.24Å; E36-Q38 VanDerWaalsContact O-N 3.16Å
39	L	56.8	Low	64	Low	152 Å²	152	116.8 Å²	116.8	80%	0.796	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80	-13.8	-177.9	-68.2	168	0	0	0	114.1	Q37	Q37-L39 PolarHBondContact O-N 2.97Å
40	F	54.5	Low	63.5	Low	103 Å²	103	114.9 Å²	114.9	45%	0.452	61%	0.613	S	S	.	*	S	Bend	trans	-103.4	109.8	177	-65.9	-77.3	0	0	0	109.9	R34 Q37	R34-F40 HydrophobicContact CG-CB 4.02Å; R34-F40 HydrophobicContact CG-CD2 3.56Å; R34-F40 HydrophobicContact CG-CE2 4.27Å; R34-F40 HydrophobicContact CG-CG 3.91Å; Q37-F40 PolarHBondContact O-N 3.46Å
41	T	54.9	Low	63.2	Low	123 Å²	123	113.7 Å²	113.7	76%	0.755	61%	0.607	S	S	*	*			trans	-50.1	136.3	160.8	29.1	0	0	0	0	108.6	L43	T41-L43 PolarHBondContact O-N 2.93Å; T41-L43 VanDerWaalsContact O-N 3.11Å
42	P	53.6	Low	63.1	Low	107 Å²	107	113.4 Å²	113.4	70%	0.695	62%	0.621	S	S	*	*			trans	-50	126.1	172.7	-21.2	30.4	0	0	0	107.5	E44	P42-E44 VanDerWaalsContact C-N 3.29Å; P42-E44 PolarHBondContact O-N 3.41Å
43	L	52.6	Low	63.1	Low	128 Å²	128	111.6 Å²	111.6	67%	0.67	62%	0.618	S	S	*	*			trans	-57	100.6	173.4	-86.8	153.2	0	0	0	106.8	R34 T41 A45	R34-L43 VanDerWaalsContact NH1-CD1 3.31Å; T41-L43 PolarHBondContact O-N 2.93Å; T41-L43 VanDerWaalsContact O-N 3.11Å; L43-A45 PolarHBondContact O-N 3.36Å
44	E	44.1	Very low	63.1	Low	181 Å²	181	105.9 Å²	105.9	85%	0.846	60%	0.597	S	S	*	*			trans	-71.1	73.4	172.3	-67.8	-158.3	147.1	0	0	107.9	P42	P42-E44 VanDerWaalsContact C-N 3.29Å; P42-E44 PolarHBondContact O-N 3.41Å
45	A	47.6	Very low	63.4	Low	75 Å²	75	104.8 Å²	104.8	62%	0.62	60%	0.597	S	S	*	*			trans	-132.2	111.3	171.7	0	0	0	0	0	107.4	L43 G47	L43-A45 PolarHBondContact O-N 3.36Å; A45-G47 PolarHBondContact O-N 2.87Å
46	G	44.6	Very low	63.8	Low	92 Å²	92	109.1 Å²	109.1	95%	0.948	60%	0.6	S	S	*	*	S	Bend	trans	-18.7	117.8	-177.9	0	0	0	0	0	117.3
47	G	52.8	Low	64.3	Low	67 Å²	67	106.8 Å²	106.8	69%	0.691	59%	0.588	S	S	*	*			trans	116.4	71.8	175.5	0	0	0	0	0	111.4	A45 E49	A45-G47 PolarHBondContact O-N 2.87Å; G47-E49 PolarHBondContact O-N 3.5Å
48	K	56.8	Low	64.8	Low	185 Å²	185	102.2 Å²	102.2	80%	0.804	57%	0.567	S	S	*	*			trans	-70.7	77.1	177.8	-70.1	-174.4	179.4	-179.2	0	110.2	T50	K48-T50 PolarHBondContact O-N 2.96Å
49	E	69.3	Low	66	Low	55 Å²	55	95.4 Å²	95.4	26%	0.257	54%	0.544	S	S	.	.			trans	-60.8	118.8	158.6	-179.5	176.7	-136.6	0	0	107.3	R31 G47 E53 F54 K57	R31-E49 PolarHBondContact NH2-O 3.23Å; G47-E49 PolarHBondContact O-N 3.5Å; E49-E53 HydrophobicContact CG-CB 3.63Å; E49-F54 HydrophobicContact CG-CB 4.13Å; E49-K57 WeakPolarHBondContact OE1-CD 3.22Å; E49-K57 WeakPolarHBondContact OE1-CE 3.45Å; E49-K57 IonicContact OE1-NZ 3.4Å; E49-K57 PolarHBondContact OE1-NZ 3.16Å
50	T	73.7	Confident	67.4	Low	67 Å²	67	93.5 Å²	93.5	41%	0.411	53%	0.526	S	S	.	.			trans	-61.9	150.8	176.6	62.1	0	0	0	0	109.8	K48 A52 E53 F54	K48-T50 PolarHBondContact O-N 2.96Å; T50-A52 PolarHBondContact O-N 3.44Å; T50-A52 VanDerWaalsContact O-N 3.16Å; T50-E53 WeakPolarHBondContact O-CB 3.44Å; T50-E53 PolarHBondContact O-N 2.74Å; T50-E53 WeakPolarHBondContact OG1-CB 3.36Å; T50-E53 VanDerWaalsContact OG1-CG 3.24Å; T50-E53 WeakPolarHBondContact OG1-CG 3.34Å; T50-E53 PolarHBondContact OG1-N 2.72Å; T50-E53 VanDerWaalsContact OG1-N 3.14Å; T50-E53 PolarHBondContact OG1-OE1 3.28Å; T50-F54 PolarHBondContact O-N 2.56Å
51	D	74.9	Confident	68.7	Low	86 Å²	86	90.4 Å²	90.4	46%	0.46	52%	0.516	S	S	.	.	H	α-helix	trans	-57.5	-32.8	176.4	-72	-32.6	0	0	0	111.5	R31 F54 E55	R31-D51 IonicContact CZ-OD1 2.78Å; R31-D51 VanDerWaalsContact CZ-OD1 3.28Å; R31-D51 IonicContact NE-OD1 2.7Å; R31-D51 PolarHBondContact NE-OD1 3.39Å; R31-D51 IonicContact NH2-OD1 3.11Å; R31-D51 PolarHBondContact NH2-OD1 2.98Å; D51-F54 PolarHBondContact O-N 3.34Å; D51-E55 WeakPolarHBondContact O-CB 3.18Å; D51-E55 WeakPolarHBondContact O-CG 3.32Å; D51-E55 PolarHBondContact O-N 3.47Å
52	A	76.7	Confident	70.1	Confident	71 Å²	71	85.9 Å²	85.9	59%	0.587	49%	0.487	S	S	*	.	H	α-helix	trans	-63.5	-43.5	173	0	0	0	0	0	113.1	T50 Y56	T50-A52 PolarHBondContact O-N 3.44Å; T50-A52 VanDerWaalsContact O-N 3.16Å; A52-Y56 VanDerWaalsContact O-CB 3.28Å; A52-Y56 WeakPolarHBondContact O-CB 3.44Å; A52-Y56 PolarHBondContact O-N 3.48Å
53	E	80.5	Confident	71.6	Confident	95 Å²	95	82.9 Å²	82.9	44%	0.444	47%	0.471	S	S	.	.	H	α-helix	trans	-64.1	-43	175.3	-79.9	166	-142.4	0	0	111.9	E49 T50 Y56 K57	E49-E53 HydrophobicContact CG-CB 3.63Å; T50-E53 WeakPolarHBondContact O-CB 3.44Å; T50-E53 PolarHBondContact O-N 2.74Å; T50-E53 WeakPolarHBondContact OG1-CB 3.36Å; T50-E53 VanDerWaalsContact OG1-CG 3.24Å; T50-E53 WeakPolarHBondContact OG1-CG 3.34Å; T50-E53 PolarHBondContact OG1-N 2.72Å; T50-E53 VanDerWaalsContact OG1-N 3.14Å; T50-E53 PolarHBondContact OG1-OE1 3.28Å; E53-Y56 PolarHBondContact O-N 3.36Å; E53-K57 WeakPolarHBondContact O-CG 3.38Å; E53-K57 PolarHBondContact O-N 2.92Å
54	F	80.6	Confident	73	Confident	26 Å²	26	79.6 Å²	79.6	11%	0.114	46%	0.458	C	S	.	.	H	α-helix	trans	-62.5	-48.2	176.9	175.6	-95.5	0	0	0	111.5	L27 M28 R31 E49 T50 D51 Y56 K57 C58	L27-F54 HydrophobicContact CD2-CE2 4.27Å; L27-F54 HydrophobicContact CD2-CZ 3.86Å; L27-F54 HydrophobicContact CG-CZ 4.01Å; M28-F54 HydrophobicContact CG-CE1 4.41Å; R31-F54 HydrophobicContact CB-CE1 4.23Å; R31-F54 HydrophobicContact CG-CE1 4.41Å; E49-F54 HydrophobicContact CG-CB 4.13Å; T50-F54 PolarHBondContact O-N 2.56Å; D51-F54 PolarHBondContact O-N 3.34Å; F54-Y56 VanDerWaalsContact C-N 3.29Å; F54-Y56 PolarHBondContact O-N 3.19Å; F54-K57 PolarHBondContact O-N 2.92Å; F54-C58 WeakPolarHBondContact CE1-SG 3.33Å; F54-C58 WeakPolarHBondContact CZ-SG 3.43Å; F54-C58 WeakPolarHBondContact O-CB 3.21Å; F54-C58 PolarHBondContact O-N 3.23Å; F54-C58 PolarHBondContact O-SG 3.29Å
55	E	82.3	Confident	74.9	Confident	86 Å²	86	71.5 Å²	71.5	40%	0.402	42%	0.421	S	S	.	.	H	α-helix	trans	-60.1	-41	176.8	-77	-168.5	159.7	0	0	111.2	R32 D51 C58 A59	R32-E55 IonicContact NH2-OE1 3.96Å; D51-E55 WeakPolarHBondContact O-CB 3.18Å; D51-E55 WeakPolarHBondContact O-CG 3.32Å; D51-E55 PolarHBondContact O-N 3.47Å; E55-C58 PolarHBondContact O-N 2.94Å; E55-A59 VanDerWaalsContact O-CB 3.28Å; E55-A59 WeakPolarHBondContact O-CB 3.46Å; E55-A59 PolarHBondContact O-N 2.85Å
56	Y	81.5	Confident	76.6	Confident	157 Å²	157	71.5 Å²	71.5	62%	0.616	41%	0.41	S	S	*	.	H	α-helix	trans	-61.9	-46.7	175.4	179.2	-97.2	0	0	0	112.4	A52 E53 F54 C58 A59 R60	A52-Y56 VanDerWaalsContact O-CB 3.28Å; A52-Y56 WeakPolarHBondContact O-CB 3.44Å; A52-Y56 PolarHBondContact O-N 3.48Å; E53-Y56 PolarHBondContact O-N 3.36Å; F54-Y56 VanDerWaalsContact C-N 3.29Å; F54-Y56 PolarHBondContact O-N 3.19Å; Y56-C58 VanDerWaalsContact C-N 3.34Å; Y56-C58 PolarHBondContact O-N 3.48Å; Y56-A59 PolarHBondContact O-N 3.42Å; Y56-R60 WeakPolarHBondContact O-CB 3.25Å; Y56-R60 PolarHBondContact O-N 2.96Å
57	K	84.9	Confident	78.5	Confident	90 Å²	90	75 Å²	75	39%	0.391	40%	0.395	S	S	.	.	H	α-helix	trans	-63.8	-40.5	177.2	-72.6	-174.2	-160.1	157.3	0	111.7	E49 E53 F54 R60 T61	E49-K57 WeakPolarHBondContact OE1-CD 3.22Å; E49-K57 WeakPolarHBondContact OE1-CE 3.45Å; E49-K57 IonicContact OE1-NZ 3.4Å; E49-K57 PolarHBondContact OE1-NZ 3.16Å; E53-K57 WeakPolarHBondContact O-CG 3.38Å; E53-K57 PolarHBondContact O-N 2.92Å; F54-K57 PolarHBondContact O-N 2.92Å; K57-R60 PolarHBondContact O-N 3.47Å; K57-T61 WeakPolarHBondContact O-CB 3.29Å; K57-T61 PolarHBondContact O-N 2.88Å; K57-T61 PolarHBondContact O-OG1 3.38Å
58	C	80.1	Confident	80	Confident	6 Å²	6	75.7 Å²	75.7	4%	0.041	38%	0.382	C	S	.	.	H	α-helix	trans	-65.8	-45.7	176.8	-66.4	0	0	0	0	111.4	L24 M28 F54 E55 Y56 R60 T61 L62	L24-C58 HydrophobicContact CD1-CB 4.11Å; L24-C58 HydrophobicContact CG-CB 4.44Å; M28-C58 HydrophobicContact CE-CB 3.99Å; M28-C58 HydrophobicContact CG-CB 3.63Å; M28-C58 HydrophobicContact SD-CB 3.43Å; M28-C58 WeakPolarHBondContact SD-CB 3.42Å; F54-C58 WeakPolarHBondContact CE1-SG 3.33Å; F54-C58 WeakPolarHBondContact CZ-SG 3.43Å; F54-C58 WeakPolarHBondContact O-CB 3.21Å; F54-C58 PolarHBondContact O-N 3.23Å; F54-C58 PolarHBondContact O-SG 3.29Å; E55-C58 PolarHBondContact O-N 2.94Å; Y56-C58 VanDerWaalsContact C-N 3.34Å; Y56-C58 PolarHBondContact O-N 3.48Å; C58-R60 VanDerWaalsContact C-N 3.34Å; C58-R60 PolarHBondContact O-N 3.46Å; C58-T61 PolarHBondContact O-N 3.43Å; C58-T61 VanDerWaalsContact O-N 3.15Å; C58-L62 WeakPolarHBondContact O-CB 3.38Å; C58-L62 WeakPolarHBondContact O-CG 3.36Å; C58-L62 PolarHBondContact O-N 2.93Å
59	A	83.8	Confident	81.4	Confident	52 Å²	52	67.8 Å²	67.8	43%	0.43	35%	0.348	S	S	.	.	H	α-helix	trans	-59.9	-42.8	176.3	0	0	0	0	0	111.9	E55 Y56 T61 L62 A63	E55-A59 VanDerWaalsContact O-CB 3.28Å; E55-A59 WeakPolarHBondContact O-CB 3.46Å; E55-A59 PolarHBondContact O-N 2.85Å; Y56-A59 PolarHBondContact O-N 3.42Å; A59-T61 VanDerWaalsContact C-N 3.34Å; A59-T61 PolarHBondContact O-N 2.99Å; A59-L62 PolarHBondContact O-N 3.36Å; A59-A63 PolarHBondContact O-N 3.42Å
60	R	84.9	Confident	82	Confident	112 Å²	112	71 Å²	71	42%	0.423	36%	0.363	S	S	.	.	H	α-helix	trans	-61.6	-42.6	174.4	-175	176.7	173.8	-168.9	-4.4	111.6	Y56 K57 C58 A63 C64	Y56-R60 WeakPolarHBondContact O-CB 3.25Å; Y56-R60 PolarHBondContact O-N 2.96Å; K57-R60 PolarHBondContact O-N 3.47Å; C58-R60 VanDerWaalsContact C-N 3.34Å; C58-R60 PolarHBondContact O-N 3.46Å; R60-A63 PolarHBondContact O-N 3.39Å; R60-C64 PolarHBondContact O-N 3.44Å; R60-C64 VanDerWaalsContact O-N 3.09Å; R60-C64 PolarHBondContact O-SG 2.9Å; R60-C64 VanDerWaalsContact O-SG 3.41Å
61	T	83.4	Confident	82.5	Confident	38 Å²	38	72.1 Å²	72.1	23%	0.233	36%	0.362	C	S	.	.	H	α-helix	trans	-68	-41.1	179.2	-56	0	0	0	0	111.5	L24 K57 C58 A59 A63 C64 I65	L24-T61 HydrophobicContact CD2-CG2 3.57Å; K57-T61 WeakPolarHBondContact O-CB 3.29Å; K57-T61 PolarHBondContact O-N 2.88Å; K57-T61 PolarHBondContact O-OG1 3.38Å; C58-T61 PolarHBondContact O-N 3.43Å; C58-T61 VanDerWaalsContact O-N 3.15Å; A59-T61 VanDerWaalsContact C-N 3.34Å; A59-T61 PolarHBondContact O-N 2.99Å; T61-A63 PolarHBondContact O-N 2.86Å; T61-C64 WeakPolarHBondContact O-CB 3.37Å; T61-C64 PolarHBondContact O-N 3.19Å; T61-C64 VanDerWaalsContact O-N 3.17Å; T61-I65 HydrophobicContact CG2-CD1 4.17Å; T61-I65 WeakPolarHBondContact O-CG1 3.28Å; T61-I65 PolarHBondContact O-N 3.41Å
62	L	83	Confident	82.9	Confident	28 Å²	28	69.1 Å²	69.1	15%	0.147	35%	0.346	C	S	.	.	H	α-helix	trans	-59.5	-45.2	173.8	-75.2	173.7	0	0	0	111.4	R21 L24 T25 M28 C58 A59 C64 I65 D66	R21-L62 HydrophobicContact CG-CD2 3.88Å; L24-L62 HydrophobicContact CB-CD2 4.18Å; L24-L62 HydrophobicContact CD2-CD2 3.77Å; L24-L62 HydrophobicContact CD2-CG 3.67Å; L24-L62 HydrophobicContact CG-CD2 4.11Å; L24-L62 HydrophobicContact CG-CG 4.17Å; T25-L62 HydrophobicContact CG2-CD1 4.17Å; T25-L62 HydrophobicContact CG2-CD2 3.83Å; M28-L62 HydrophobicContact SD-CD1 3.66Å; C58-L62 WeakPolarHBondContact O-CB 3.38Å; C58-L62 WeakPolarHBondContact O-CG 3.36Å; C58-L62 PolarHBondContact O-N 2.93Å; A59-L62 PolarHBondContact O-N 3.36Å; L62-C64 VanDerWaalsContact C-N 3.28Å; L62-C64 PolarHBondContact O-N 3.45Å; L62-I65 WeakPolarHBondContact O-CB 3.36Å; L62-I65 PolarHBondContact O-N 3Å; L62-I65 VanDerWaalsContact O-N 3.1Å; L62-D66 PolarHBondContact O-N 3.4Å
63	A	84.6	Confident	83.3	Confident	44 Å²	44	68.1 Å²	68.1	36%	0.364	33%	0.331	S	S	.	.	H	α-helix	trans	-61.2	-36.5	176.1	0	0	0	0	0	112.5	A59 R60 T61 R67	A59-A63 PolarHBondContact O-N 3.42Å; R60-A63 PolarHBondContact O-N 3.39Å; T61-A63 PolarHBondContact O-N 2.86Å; A63-R67 VanDerWaalsContact O-CG 3.28Å; A63-R67 WeakPolarHBondContact O-CG 3.4Å; A63-R67 PolarHBondContact O-N 2.99Å; A63-R67 VanDerWaalsContact O-N 3.12Å
64	C	83.9	Confident	83.5	Confident	58 Å²	58	68.1 Å²	68.1	39%	0.392	33%	0.334	S	S	.	.	H	α-helix	trans	-65.7	-43.2	172.9	-72	0	0	0	0	112.1	R60 T61 L62 R67 L68	R60-C64 PolarHBondContact O-N 3.44Å; R60-C64 VanDerWaalsContact O-N 3.09Å; R60-C64 PolarHBondContact O-SG 2.9Å; R60-C64 VanDerWaalsContact O-SG 3.41Å; T61-C64 WeakPolarHBondContact O-CB 3.37Å; T61-C64 PolarHBondContact O-N 3.19Å; T61-C64 VanDerWaalsContact O-N 3.17Å; L62-C64 VanDerWaalsContact C-N 3.28Å; L62-C64 PolarHBondContact O-N 3.45Å; C64-R67 PolarHBondContact O-N 2.94Å; C64-L68 WeakPolarHBondContact O-CG 3.47Å; C64-L68 PolarHBondContact O-N 3.39Å
65	I	82.9	Confident	83.5	Confident	12 Å²	12	68.8 Å²	68.8	6%	0.062	34%	0.337	C	S	.	.	H	α-helix	trans	-61	-45	176.3	-73.5	171.1	0	0	0	110.8	V17 Q20 R21 L24 T61 L62 R67 L68 E69	V17-I65 HydrophobicContact CG1-CG2 3.69Å; V17-I65 WeakPolarHBondContact CG1-O 3.4Å; Q20-I65 HydrophobicContact CB-CD1 4.06Å; R21-I65 HydrophobicContact CB-CG2 3.75Å; R21-I65 HydrophobicContact CG-CG2 4.18Å; L24-I65 HydrophobicContact CD2-CD1 4.16Å; T61-I65 HydrophobicContact CG2-CD1 4.17Å; T61-I65 WeakPolarHBondContact O-CG1 3.28Å; T61-I65 PolarHBondContact O-N 3.41Å; L62-I65 WeakPolarHBondContact O-CB 3.36Å; L62-I65 PolarHBondContact O-N 3Å; L62-I65 VanDerWaalsContact O-N 3.1Å; I65-R67 PolarHBondContact O-N 3.36Å; I65-L68 WeakPolarHBondContact O-CB 3.39Å; I65-L68 PolarHBondContact O-N 3.45Å; I65-L68 VanDerWaalsContact O-N 3.16Å; I65-E69 PolarHBondContact O-N 3.25Å
66	D	83.7	Confident	83.4	Confident	74 Å²	74	66.8 Å²	66.8	40%	0.396	33%	0.333	S	S	.	.	H	α-helix	trans	-64.2	-42.2	179.4	-70.5	-29.3	0	0	0	111.6	R21 L62 L68 E69 E70	R21-D66 IonicContact NH1-OD1 2.86Å; L62-D66 PolarHBondContact O-N 3.4Å; D66-L68 VanDerWaalsContact C-N 3.31Å; D66-L68 PolarHBondContact O-N 2.93Å; D66-E69 PolarHBondContact O-N 2.81Å; D66-E70 PolarHBondContact O-N 2.65Å
67	R	83.7	Confident	83.4	Confident	167 Å²	167	64.6 Å²	64.6	63%	0.63	33%	0.328	S	S	*	.	H	α-helix	trans	-61.8	-38.1	172.8	-72.5	172.9	-178.4	-174.4	1.7	112.3	A63 C64 I65 K71	A63-R67 VanDerWaalsContact O-CG 3.28Å; A63-R67 WeakPolarHBondContact O-CG 3.4Å; A63-R67 PolarHBondContact O-N 2.99Å; A63-R67 VanDerWaalsContact O-N 3.12Å; C64-R67 PolarHBondContact O-N 2.94Å; I65-R67 PolarHBondContact O-N 3.36Å; R67-K71 VanDerWaalsContact O-CG 3.31Å; R67-K71 WeakPolarHBondContact O-CG 3.49Å; R67-K71 PolarHBondContact O-N 2.63Å
68	L	83.9	Confident	83.2	Confident	81 Å²	81	62.2 Å²	62.2	42%	0.424	32%	0.323	S	S	.	.	H	α-helix	trans	-67.8	-42.2	175.8	-75.6	170.7	0	0	0	111.4	V17 C64 I65 D66 K71 L72	V17-L68 HydrophobicContact CG1-CB 4.4Å; V17-L68 HydrophobicContact CG2-CB 4.49Å; C64-L68 WeakPolarHBondContact O-CG 3.47Å; C64-L68 PolarHBondContact O-N 3.39Å; I65-L68 WeakPolarHBondContact O-CB 3.39Å; I65-L68 PolarHBondContact O-N 3.45Å; I65-L68 VanDerWaalsContact O-N 3.16Å; D66-L68 VanDerWaalsContact C-N 3.31Å; D66-L68 PolarHBondContact O-N 2.93Å; L68-K71 PolarHBondContact O-N 3.08Å; L68-L72 WeakPolarHBondContact O-CB 3.28Å; L68-L72 VanDerWaalsContact O-CG 3.28Å; L68-L72 WeakPolarHBondContact O-CG 3.46Å; L68-L72 PolarHBondContact O-N 2.89Å
69	E	86.3	Confident	82.9	Confident	19 Å²	19	63.9 Å²	63.9	9%	0.089	33%	0.331	C	S	.	.	H	α-helix	trans	-61.6	-45	175.3	179	164.8	-159.4	0	0	111.1	L14 V17 R18 R21 I65 D66 K71 L72 N73	L14-E69 HydrophobicContact CD2-CG 4.19Å; V17-E69 HydrophobicContact CG1-CB 3.97Å; R18-E69 IonicContact CZ-OE1 3.6Å; R18-E69 IonicContact NE-OE1 3.59Å; R18-E69 PolarHBondContact NE-OE1 3.22Å; R18-E69 IonicContact NH2-OE1 3.9Å; R18-E69 PolarHBondContact NH2-OE1 2.93Å; R18-E69 VanDerWaalsContact NH2-OE1 3.11Å; R21-E69 IonicContact CZ-OE2 2.93Å; R21-E69 IonicContact NH1-OE2 3.28Å; R21-E69 PolarHBondContact NH1-OE2 2.93Å; R21-E69 IonicContact NH2-OE2 2.65Å; I65-E69 PolarHBondContact O-N 3.25Å; D66-E69 PolarHBondContact O-N 2.81Å; E69-K71 PolarHBondContact O-N 3.33Å; E69-L72 PolarHBondContact O-N 3.02Å; E69-N73 WeakPolarHBondContact CG-ND2 3.43Å; E69-N73 WeakPolarHBondContact O-CB 3.45Å; E69-N73 VanDerWaalsContact O-CG 3.29Å; E69-N73 PolarHBondContact O-N 3.36Å; E69-N73 PolarHBondContact O-ND2 3.14Å; E69-N73 VanDerWaalsContact O-ND2 3.15Å
70	E	83.6	Confident	82.5	Confident	123 Å²	123	64.5 Å²	64.5	58%	0.575	33%	0.33	S	S	*	.	H	α-helix	trans	-58	-49.5	175.7	-172.9	-177.8	-169.2	0	0	111.5	D66 L72 N73 L74	D66-E70 PolarHBondContact O-N 2.65Å; E70-L72 PolarHBondContact O-N 2.89Å; E70-N73 PolarHBondContact O-N 3.1Å; E70-L74 HydrophobicContact CG-CD1 4.46Å; E70-L74 WeakPolarHBondContact O-CG 3.33Å; E70-L74 PolarHBondContact O-N 3.34Å
71	K	83.8	Confident	81.8	Confident	89 Å²	89	65.8 Å²	65.8	39%	0.387	34%	0.339	S	S	.	.	H	α-helix	trans	-59.8	-44	177.9	-74.7	179.4	-178.8	-172.7	0	112.2	R67 L68 E69 N73 L74 M75 L103	R67-K71 VanDerWaalsContact O-CG 3.31Å; R67-K71 WeakPolarHBondContact O-CG 3.49Å; R67-K71 PolarHBondContact O-N 2.63Å; L68-K71 PolarHBondContact O-N 3.08Å; E69-K71 PolarHBondContact O-N 3.33Å; K71-N73 VanDerWaalsContact C-N 3.35Å; K71-L74 PolarHBondContact O-N 3.11Å; K71-M75 WeakPolarHBondContact O-CG 3.32Å; K71-M75 PolarHBondContact O-N 3.33Å; K71-L103 HydrophobicContact CD-CD2 4.2Å
72	L	82.9	Confident	80.7	Confident	24 Å²	24	68.9 Å²	68.9	13%	0.126	35%	0.346	C	S	.	.	H	α-helix	trans	-66	-37.1	177.3	-72.6	173.4	0	0	0	111.9	L14 V17 L68 E69 E70 M75 S76	L14-L72 HydrophobicContact CD2-CB 3.37Å; L14-L72 HydrophobicContact CD2-CD1 4.04Å; L14-L72 HydrophobicContact CD2-CG 4.37Å; L14-L72 HydrophobicContact CG-CB 3.82Å; L14-L72 HydrophobicContact CG-CD1 4.28Å; V17-L72 HydrophobicContact CG2-CD1 3.84Å; L68-L72 WeakPolarHBondContact O-CB 3.28Å; L68-L72 VanDerWaalsContact O-CG 3.28Å; L68-L72 WeakPolarHBondContact O-CG 3.46Å; L68-L72 PolarHBondContact O-N 2.89Å; E69-L72 PolarHBondContact O-N 3.02Å; E70-L72 PolarHBondContact O-N 2.89Å; L72-M75 HydrophobicContact CD2-CE 4.25Å; L72-M75 HydrophobicContact CD2-SD 4.41Å; L72-M75 WeakPolarHBondContact O-CB 3.42Å; L72-M75 PolarHBondContact O-N 3.43Å; L72-S76 PolarHBondContact O-N 2.78Å
73	N	84.7	Confident	79.5	Confident	50 Å²	50	73.2 Å²	73.2	27%	0.267	37%	0.365	S	S	.	.	H	α-helix	trans	-65.9	-43.3	174.7	-77	-35.7	0	0	0	111.8	E69 E70 K71 M75 S76 Q77	E69-N73 WeakPolarHBondContact CG-ND2 3.43Å; E69-N73 WeakPolarHBondContact O-CB 3.45Å; E69-N73 VanDerWaalsContact O-CG 3.29Å; E69-N73 PolarHBondContact O-N 3.36Å; E69-N73 PolarHBondContact O-ND2 3.14Å; E69-N73 VanDerWaalsContact O-ND2 3.15Å; E70-N73 PolarHBondContact O-N 3.1Å; K71-N73 VanDerWaalsContact C-N 3.35Å; N73-M75 VanDerWaalsContact C-N 3.3Å; N73-M75 PolarHBondContact O-N 3.49Å; N73-S76 VanDerWaalsContact O-CB 3.28Å; N73-S76 WeakPolarHBondContact O-CB 3.36Å; N73-S76 PolarHBondContact O-N 2.94Å; N73-S76 VanDerWaalsContact O-N 3.14Å; N73-Q77 WeakPolarHBondContact O-CG 3.25Å; N73-Q77 PolarHBondContact O-N 2.7Å
74	L	85.6	Confident	78.2	Confident	95 Å²	95	79.5 Å²	79.5	50%	0.497	38%	0.384	S	S	.	.	H	α-helix	trans	-59.2	-42.8	173.8	-72.1	173.1	0	0	0	111.4	E70 K71 Q77 S78	E70-L74 HydrophobicContact CG-CD1 4.46Å; E70-L74 WeakPolarHBondContact O-CG 3.33Å; E70-L74 PolarHBondContact O-N 3.34Å; K71-L74 PolarHBondContact O-N 3.11Å; L74-Q77 PolarHBondContact O-N 3.15Å; L74-S78 WeakPolarHBondContact O-CB 3.33Å; L74-S78 PolarHBondContact O-N 3.33Å
75	M	79.5	Confident	76.9	Confident	39 Å²	39	81.1 Å²	81.1	19%	0.192	39%	0.393	C	S	.	.	H	α-helix	trans	-62.8	-42.9	174.1	-74.3	170.9	41.5	0	0	112.2	L10 K71 L72 N73 Q77 S78 L79 F99	L10-M75 HydrophobicContact CD1-CB 3.56Å; L10-M75 HydrophobicContact CD1-CE 3.7Å; K71-M75 WeakPolarHBondContact O-CG 3.32Å; K71-M75 PolarHBondContact O-N 3.33Å; L72-M75 HydrophobicContact CD2-CE 4.25Å; L72-M75 HydrophobicContact CD2-SD 4.41Å; L72-M75 WeakPolarHBondContact O-CB 3.42Å; L72-M75 PolarHBondContact O-N 3.43Å; N73-M75 VanDerWaalsContact C-N 3.3Å; N73-M75 PolarHBondContact O-N 3.49Å; M75-Q77 VanDerWaalsContact C-N 3.33Å; M75-Q77 PolarHBondContact O-N 3.49Å; M75-S78 PolarHBondContact O-N 2.86Å; M75-S78 PolarHBondContact O-OG 2.85Å; M75-L79 WeakPolarHBondContact O-CG 3.42Å; M75-L79 PolarHBondContact O-N 3.16Å; M75-F99 HydrophobicContact CE-CD1 4.47Å; M75-F99 HydrophobicContact CE-CE1 3.18Å; M75-F99 HydrophobicContact CE-CZ 3.21Å; M75-F99 HydrophobicContact SD-CD1 4.2Å; M75-F99 HydrophobicContact SD-CE1 3.31Å; M75-F99 WeakPolarHBondContact SD-CE1 3.31Å; M75-F99 HydrophobicContact SD-CZ 3.91Å
76	S	80.4	Confident	75.4	Confident	45 Å²	45	87.6 Å²	87.6	32%	0.315	42%	0.421	S	S	.	.	H	α-helix	trans	-55.6	-49.4	174.7	-165.1	0	0	0	0	111.1	L72 N73 S78 L79 V80	L72-S76 PolarHBondContact O-N 2.78Å; N73-S76 VanDerWaalsContact O-CB 3.28Å; N73-S76 WeakPolarHBondContact O-CB 3.36Å; N73-S76 PolarHBondContact O-N 2.94Å; N73-S76 VanDerWaalsContact O-N 3.14Å; S76-S78 PolarHBondContact O-N 2.92Å; S76-L79 PolarHBondContact O-N 3.49Å; S76-V80 WeakPolarHBondContact O-CG2 3.47Å; S76-V80 PolarHBondContact O-N 3.33Å; S76-V80 VanDerWaalsContact O-N 3.11Å
77	Q	82	Confident	73.9	Confident	110 Å²	110	93.3 Å²	93.3	51%	0.514	45%	0.445	S	S	.	.	H	α-helix	trans	-62.4	-41.3	177.4	-68.2	177.5	14.9	0	0	111.9	N73 L74 M75 L79 V80 K81	N73-Q77 WeakPolarHBondContact O-CG 3.25Å; N73-Q77 PolarHBondContact O-N 2.7Å; L74-Q77 PolarHBondContact O-N 3.15Å; M75-Q77 VanDerWaalsContact C-N 3.33Å; M75-Q77 PolarHBondContact O-N 3.49Å; Q77-L79 VanDerWaalsContact C-N 3.34Å; Q77-L79 PolarHBondContact O-N 3.1Å; Q77-V80 PolarHBondContact O-N 2.91Å; Q77-K81 WeakPolarHBondContact O-CG 3.24Å; Q77-K81 PolarHBondContact O-N 2.96Å
78	S	80.7	Confident	71.8	Confident	41 Å²	41	93.2 Å²	93.2	29%	0.287	45%	0.451	S	S	.	.	H	α-helix	trans	-64.4	-36.5	177.9	79.4	0	0	0	0	112.7	L74 M75 S76 V80 K81 R82	L74-S78 WeakPolarHBondContact O-CB 3.33Å; L74-S78 PolarHBondContact O-N 3.33Å; M75-S78 PolarHBondContact O-N 2.86Å; M75-S78 PolarHBondContact O-OG 2.85Å; S76-S78 PolarHBondContact O-N 2.92Å; S78-V80 VanDerWaalsContact C-N 3.35Å; S78-K81 PolarHBondContact O-N 3.42Å; S78-R82 WeakPolarHBondContact O-CB 3.27Å; S78-R82 WeakPolarHBondContact O-CG 3.49Å; S78-R82 PolarHBondContact O-N 3.27Å
79	L	74.5	Confident	69.7	Low	40 Å²	40	95.1 Å²	95.1	21%	0.209	47%	0.469	C	S	.	.	H	α-helix	trans	-68.1	-35.9	175.3	-73.1	177	0	0	0	111.5	K6 K7 L10 M75 S76 Q77 Q83	K6-L79 HydrophobicContact CB-CD1 4.46Å; K7-L79 HydrophobicContact CG-CD1 4.41Å; L10-L79 HydrophobicContact CD1-CD1 3.94Å; M75-L79 WeakPolarHBondContact O-CG 3.42Å; M75-L79 PolarHBondContact O-N 3.16Å; S76-L79 PolarHBondContact O-N 3.49Å; Q77-L79 VanDerWaalsContact C-N 3.34Å; Q77-L79 PolarHBondContact O-N 3.1Å; L79-Q83 PolarHBondContact O-N 3.07Å; L79-Q83 VanDerWaalsContact O-N 3.16Å
80	V	73.8	Confident	67.6	Low	66 Å²	66	103.7 Å²	103.7	40%	0.4	51%	0.506	S	S	.	.	H	α-helix	trans	-67.7	-45	172.9	175.4	0	0	0	0	110.9	S76 Q77 S78 Q83 K84	S76-V80 WeakPolarHBondContact O-CG2 3.47Å; S76-V80 PolarHBondContact O-N 3.33Å; S76-V80 VanDerWaalsContact O-N 3.11Å; Q77-V80 PolarHBondContact O-N 2.91Å; S78-V80 VanDerWaalsContact C-N 3.35Å; V80-Q83 WeakPolarHBondContact O-CB 3.42Å; V80-Q83 PolarHBondContact O-N 3.12Å; V80-Q83 VanDerWaalsContact O-N 3.16Å; V80-K84 PolarHBondContact O-N 2.97Å
81	K	70.6	Confident	66.1	Low	139 Å²	139	109 Å²	109	60%	0.604	52%	0.52	S	S	*	.	H	α-helix	trans	-61.2	-45.2	176.4	-73.1	-178.8	-179	-179	0	111.7	Q77 S78 Q83 K84 T85	Q77-K81 WeakPolarHBondContact O-CG 3.24Å; Q77-K81 PolarHBondContact O-N 2.96Å; S78-K81 PolarHBondContact O-N 3.42Å; K81-Q83 PolarHBondContact O-N 2.86Å; K81-K84 CarbonylContact O-C 3.59Å; K81-K84 WeakPolarHBondContact O-CA 3.37Å; K81-K84 WeakPolarHBondContact O-CB 3.36Å; K81-K84 PolarHBondContact O-N 3.09Å; K81-T85 PolarHBondContact O-N 3.25Å; K81-T85 PolarHBondContact O-OG1 2.91Å
82	R	60.2	Low	64.3	Low	102 Å²	102	114.3 Å²	114.3	39%	0.385	55%	0.547	S	S	.	.	H	α-helix	trans	-63.5	-25.5	175.6	-74.7	-177	-174.6	-169.8	5.7	113.4	S78 T85 K86	S78-R82 WeakPolarHBondContact O-CB 3.27Å; S78-R82 WeakPolarHBondContact O-CG 3.49Å; S78-R82 PolarHBondContact O-N 3.27Å; R82-T85 WeakPolarHBondContact CA-OG1 3.43Å; R82-K86 VanDerWaalsContact O-CB 3.31Å; R82-K86 WeakPolarHBondContact O-CB 3.42Å; R82-K86 WeakPolarHBondContact O-CG 3.37Å; R82-K86 PolarHBondContact O-N 3.42Å
83	Q	58.3	Low	63	Low	119 Å²	119	116.9 Å²	116.9	56%	0.556	56%	0.563	S	S	*	*	H	α-helix	trans	-72.9	-32.8	171.8	-165.8	176.8	1.1	0	0	111.4	L79 V80 K81	L79-Q83 PolarHBondContact O-N 3.07Å; L79-Q83 VanDerWaalsContact O-N 3.16Å; V80-Q83 WeakPolarHBondContact O-CB 3.42Å; V80-Q83 PolarHBondContact O-N 3.12Å; V80-Q83 VanDerWaalsContact O-N 3.16Å; K81-Q83 PolarHBondContact O-N 2.86Å
84	K	57.1	Low	61.8	Low	176 Å²	176	119.2 Å²	119.2	77%	0.765	58%	0.576	S	S	*	*	H	α-helix	trans	-75	-33.9	173.9	-65.5	-173.3	177.3	-172.5	0	112.9	V80 K81	V80-K84 PolarHBondContact O-N 2.97Å; K81-K84 CarbonylContact O-C 3.59Å; K81-K84 WeakPolarHBondContact O-CA 3.37Å; K81-K84 WeakPolarHBondContact O-CB 3.36Å; K81-K84 PolarHBondContact O-N 3.09Å
85	T	56.1	Low	60.4	Low	92 Å²	92	117 Å²	117	56%	0.564	57%	0.566	S	S	*	*	S	Bend	trans	-92.5	2.6	-179	43.3	0	0	0	0	115.3	K81 R82 Q87 E88	K81-T85 PolarHBondContact O-N 3.25Å; K81-T85 PolarHBondContact O-OG1 2.91Å; R82-T85 WeakPolarHBondContact CA-OG1 3.43Å; T85-Q87 PolarHBondContact O-N 3.41Å; T85-E88 PolarHBondContact O-N 3.35Å
86	K	53.2	Low	59.3	Low	149 Å²	149	123.3 Å²	123.3	65%	0.648	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.3	21.5	178.3	-100.1	177.8	179.1	-162.9	0	115.2	R82	R82-K86 VanDerWaalsContact O-CB 3.31Å; R82-K86 WeakPolarHBondContact O-CB 3.42Å; R82-K86 WeakPolarHBondContact O-CG 3.37Å; R82-K86 PolarHBondContact O-N 3.42Å
87	Q	50.3	Low	58.2	Low	194 Å²	194	124.2 Å²	124.2	91%	0.907	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.3	-3.1	159	-84.5	-171.8	-10.2	0	0	113.5	T85	T85-Q87 PolarHBondContact O-N 3.41Å
88	E	41.2	Very low	57.1	Low	164 Å²	164	122.2 Å²	122.2	77%	0.766	58%	0.579	S	S	*	*	S	Bend	trans	-117.4	141.7	176.6	-76.4	-175.3	151	0	0	113.8	T85	T85-E88 PolarHBondContact O-N 3.35Å
89	P	39.8	Very low	56.1	Low	121 Å²	121	124.2 Å²	124.2	79%	0.786	58%	0.583	S	S	*	*			trans	-82.3	137.4	-165.6	32.3	-33.3	0	0	0	113.9
90	K	41.9	Very low	55.3	Low	200 Å²	200	123 Å²	123	87%	0.87	58%	0.577	S	S	*	*			trans	42.7	90.8	142	-63.3	-179.8	179.6	178.3	0	118.3
91	R	51	Low	54.5	Low	233 Å²	233	127 Å²	127	88%	0.879	58%	0.584	S	S	*	*			trans	-120.9	109.8	130.3	-77	-174.2	177.7	178.9	-0	108.1	V93	R91-V93 HydrophobicContact CB-CG2 4.36Å; R91-V93 PolarHBondContact O-N 2.9Å
92	E	47.8	Very low	53.9	Low	201 Å²	201	125 Å²	125	94%	0.939	58%	0.58	S	S	*	*			trans	-66.1	82.3	164.2	-82.3	-177.3	151.1	0	0	108	D94	E92-D94 PolarHBondContact O-N 3.43Å
93	V	54.7	Low	53.7	Low	78 Å²	78	123.9 Å²	123.9	47%	0.473	58%	0.581	S	S	.	*			trans	-74	110.3	161.4	-177.5	0	0	0	0	105	R91 T95 H98	R91-V93 HydrophobicContact CB-CG2 4.36Å; R91-V93 PolarHBondContact O-N 2.9Å; V93-T95 PolarHBondContact O-N 3.41Å; V93-H98 HydrophobicContact CG1-CB 4.1Å
94	D	59.1	Low	53.6	Low	99 Å²	99	120.7 Å²	120.7	53%	0.529	57%	0.566	S	S	.	*			trans	-46.9	109.1	174.9	-175.4	-2.2	0	0	0	108.2	E92 R96 D97 H98	E92-D94 PolarHBondContact O-N 3.43Å; D94-R96 PolarHBondContact O-N 2.94Å; D94-R96 VanDerWaalsContact O-N 3.12Å; D94-R96 WeakPolarHBondContact OD1-CB 3.31Å; D94-R96 PolarHBondContact OD1-N 3.28Å; D94-D97 HydrophobicContact CB-CB 4.06Å; D94-D97 PolarHBondContact O-N 2.91Å; D94-H98 PolarHBondContact O-N 3.27Å
95	T	56.9	Low	53.5	Low	48 Å²	48	114.1 Å²	114.1	29%	0.294	55%	0.548	S	S	.	.	H	α-helix	trans	-54.6	-37.2	-174.3	8.3	0	0	0	0	109.7	V93 D97 H98 F99	V93-T95 PolarHBondContact O-N 3.41Å; T95-D97 PolarHBondContact O-N 2.9Å; T95-H98 PolarHBondContact O-N 3.4Å; T95-F99 HydrophobicContact CG2-CE2 4.45Å; T95-F99 WeakPolarHBondContact O-CB 3.4Å; T95-F99 WeakPolarHBondContact O-CD2 3.39Å; T95-F99 PolarHBondContact O-N 3.5Å
96	R	55.3	Low	53.3	Low	173 Å²	173	121.7 Å²	121.7	65%	0.653	57%	0.566	S	S	*	*	H	α-helix	trans	-58.3	-49.3	176.9	-176.1	-178.8	176.6	170.3	0.8	111	D94 H98 F99 M100	D94-R96 PolarHBondContact O-N 2.94Å; D94-R96 VanDerWaalsContact O-N 3.12Å; D94-R96 WeakPolarHBondContact OD1-CB 3.31Å; D94-R96 PolarHBondContact OD1-N 3.28Å; R96-H98 VanDerWaalsContact C-N 3.31Å; R96-H98 PolarHBondContact O-N 3Å; R96-F99 WeakPolarHBondContact O-CB 3.41Å; R96-F99 PolarHBondContact O-N 3.08Å; R96-F99 VanDerWaalsContact O-N 3.16Å; R96-M100 HydrophobicContact CG-CG 4.4Å; R96-M100 VanDerWaalsContact O-CG 3.25Å; R96-M100 WeakPolarHBondContact O-CG 3.49Å; R96-M100 PolarHBondContact O-N 3.02Å
97	D	57.1	Low	53.1	Low	63 Å²	63	118.6 Å²	118.6	34%	0.337	55%	0.554	S	S	.	*	H	α-helix	trans	-66.6	-35.3	-178.7	-148.4	49.7	0	0	0	112	D94 T95 M100 R101	D94-D97 HydrophobicContact CB-CB 4.06Å; D94-D97 PolarHBondContact O-N 2.91Å; T95-D97 PolarHBondContact O-N 2.9Å; D97-M100 PolarHBondContact O-N 3.48Å; D97-R101 WeakPolarHBondContact O-CB 3.15Å; D97-R101 WeakPolarHBondContact O-CG 3.25Å; D97-R101 PolarHBondContact O-N 2.9Å; D97-R101 IonicContact OD2-CZ 2.67Å; D97-R101 IonicContact OD2-NE 2.81Å; D97-R101 IonicContact OD2-NH2 3.75Å; D97-R101 PolarHBondContact OD2-NH2 3.17Å
98	H	60.4	Low	53.1	Low	68 Å²	68	118 Å²	118	32%	0.315	55%	0.548	S	S	.	.	H	α-helix	trans	-65	-42.7	171.4	-173.6	62.4	0	0	0	112.4	V93 D94 T95 R96 R101 L102	V93-H98 HydrophobicContact CG1-CB 4.1Å; D94-H98 PolarHBondContact O-N 3.27Å; T95-H98 PolarHBondContact O-N 3.4Å; R96-H98 VanDerWaalsContact C-N 3.31Å; R96-H98 PolarHBondContact O-N 3Å; H98-R101 PolarHBondContact O-N 3.48Å; H98-L102 WeakPolarHBondContact NE2-CD1 3.4Å; H98-L102 WeakPolarHBondContact O-CB 3.41Å; H98-L102 PolarHBondContact O-N 3.47Å
99	F	58.1	Low	53.2	Low	83 Å²	83	111.1 Å²	111.1	36%	0.364	52%	0.522	S	S	.	.	H	α-helix	trans	-62.2	-46.3	174.7	-93.5	-76.9	0	0	0	111.8	M75 T95 R96 R101 L102 L103	M75-F99 HydrophobicContact CE-CD1 4.47Å; M75-F99 HydrophobicContact CE-CE1 3.18Å; M75-F99 HydrophobicContact CE-CZ 3.21Å; M75-F99 HydrophobicContact SD-CD1 4.2Å; M75-F99 HydrophobicContact SD-CE1 3.31Å; M75-F99 WeakPolarHBondContact SD-CE1 3.31Å; M75-F99 HydrophobicContact SD-CZ 3.91Å; T95-F99 HydrophobicContact CG2-CE2 4.45Å; T95-F99 WeakPolarHBondContact O-CB 3.4Å; T95-F99 WeakPolarHBondContact O-CD2 3.39Å; T95-F99 PolarHBondContact O-N 3.5Å; R96-F99 WeakPolarHBondContact O-CB 3.41Å; R96-F99 PolarHBondContact O-N 3.08Å; R96-F99 VanDerWaalsContact O-N 3.16Å; F99-R101 VanDerWaalsContact C-N 3.32Å; F99-R101 PolarHBondContact O-N 2.81Å; F99-L102 PolarHBondContact O-N 3.42Å; F99-L103 WeakPolarHBondContact O-CB 3.4Å; F99-L103 WeakPolarHBondContact O-CG 3.39Å; F99-L103 PolarHBondContact O-N 2.81Å
100	M	57.8	Low	53.4	Low	15 Å²	15	115.6 Å²	115.6	7%	0.074	52%	0.523	C	S	.	.	H	α-helix	trans	-63.7	-40.1	178	-65.3	-53.9	-84	0	0	110.8	R96 D97 L102 L103 F104 G109 A112 W113	R96-M100 HydrophobicContact CG-CG 4.4Å; R96-M100 VanDerWaalsContact O-CG 3.25Å; R96-M100 WeakPolarHBondContact O-CG 3.49Å; R96-M100 PolarHBondContact O-N 3.02Å; D97-M100 PolarHBondContact O-N 3.48Å; M100-L102 PolarHBondContact O-N 3.15Å; M100-L103 PolarHBondContact O-N 3.2Å; M100-F104 HydrophobicContact CE-CD2 3.93Å; M100-F104 HydrophobicContact CE-CE2 3.82Å; M100-F104 WeakPolarHBondContact O-CB 3.39Å; M100-F104 WeakPolarHBondContact O-CD2 3.28Å; M100-F104 PolarHBondContact O-N 3.38Å; M100-F104 HydrophobicContact SD-CD2 4.13Å; M100-F104 HydrophobicContact SD-CE2 3.91Å; M100-G109 WeakPolarHBondContact CE-O 3.12Å; M100-A112 HydrophobicContact CE-CB 4.27Å; M100-W113 HydrophobicContact CE-CB 3.86Å; M100-W113 HydrophobicContact CE-CE3 4.13Å
101	R	58.4	Low	53.4	Low	149 Å²	149	111.3 Å²	111.3	56%	0.562	51%	0.509	S	S	*	.	H	α-helix	trans	-64.5	-39.1	174	-77.5	-177	-152.7	176.2	9.3	113.8	D97 H98 F99 L103 G105	D97-R101 WeakPolarHBondContact O-CB 3.15Å; D97-R101 WeakPolarHBondContact O-CG 3.25Å; D97-R101 PolarHBondContact O-N 2.9Å; D97-R101 IonicContact OD2-CZ 2.67Å; D97-R101 IonicContact OD2-NE 2.81Å; D97-R101 IonicContact OD2-NH2 3.75Å; D97-R101 PolarHBondContact OD2-NH2 3.17Å; H98-R101 PolarHBondContact O-N 3.48Å; F99-R101 VanDerWaalsContact C-N 3.32Å; F99-R101 PolarHBondContact O-N 2.81Å; R101-L103 VanDerWaalsContact C-N 3.34Å; R101-G105 WeakPolarHBondContact CA-O 3.39Å; R101-G105 VanDerWaalsContact O-CA 3.24Å; R101-G105 WeakPolarHBondContact O-CA 3.49Å; R101-G105 PolarHBondContact O-N 3.4Å
102	L	57.4	Low	53.1	Low	98 Å²	98	100.2 Å²	100.2	51%	0.513	47%	0.467	S	S	.	.	H	α-helix	trans	-67.5	-34.9	177.3	-92.8	157.6	0	0	0	112.5	H98 F99 M100	H98-L102 WeakPolarHBondContact NE2-CD1 3.4Å; H98-L102 WeakPolarHBondContact O-CB 3.41Å; H98-L102 PolarHBondContact O-N 3.47Å; F99-L102 PolarHBondContact O-N 3.42Å; M100-L102 PolarHBondContact O-N 3.15Å
103	L	55.6	Low	52.9	Low	79 Å²	79	97 Å²	97	41%	0.414	45%	0.447	S	S	.	.	H	α-helix	trans	-84.7	-35.3	-178.2	-69.7	173.3	0	0	0	112.8	K71 F99 M100 R101	K71-L103 HydrophobicContact CD-CD2 4.2Å; F99-L103 WeakPolarHBondContact O-CB 3.4Å; F99-L103 WeakPolarHBondContact O-CG 3.39Å; F99-L103 PolarHBondContact O-N 2.81Å; M100-L103 PolarHBondContact O-N 3.2Å; R101-L103 VanDerWaalsContact C-N 3.34Å
104	F	56.8	Low	52.4	Low	51 Å²	51	97.6 Å²	97.6	22%	0.224	45%	0.447	C	S	.	.	H	α-helix	trans	-130.3	8.2	-166.3	-53.2	-73	0	0	0	114.5	M100 A112 F116	M100-F104 HydrophobicContact CE-CD2 3.93Å; M100-F104 HydrophobicContact CE-CE2 3.82Å; M100-F104 WeakPolarHBondContact O-CB 3.39Å; M100-F104 WeakPolarHBondContact O-CD2 3.28Å; M100-F104 PolarHBondContact O-N 3.38Å; M100-F104 HydrophobicContact SD-CD2 4.13Å; M100-F104 HydrophobicContact SD-CE2 3.91Å; F104-A112 HydrophobicContact CB-CB 3.49Å; F104-A112 VanDerWaalsContact CB-CB 3.49Å; F104-A112 HydrophobicContact CD1-CB 4.2Å; F104-A112 HydrophobicContact CD2-CB 3.75Å; F104-A112 HydrophobicContact CG-CB 3.56Å; F104-F116 HydrophobicContact CE1-CB 3.78Å; F104-F116 AromaticContact CE1-CD2 3.67Å; F104-F116 HydrophobicContact CE1-CD2 3.67Å; F104-F116 HydrophobicContact CE1-CG 4.03Å; F104-F116 HydrophobicContact CZ-CB 3.64Å; F104-F116 AromaticContact CZ-CD2 3.55Å; F104-F116 HydrophobicContact CZ-CD2 3.55Å; F104-F116 HydrophobicContact CZ-CE2 4.35Å; F104-F116 AromaticContact CZ-CG 3.67Å; F104-F116 HydrophobicContact CZ-CG 3.67Å
105	G	55.4	Low	51.6	Low	39 Å²	39	99.3 Å²	99.3	40%	0.402	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.9	-157.2	-176.7	0	0	0	0	0	112.8	R101 E107	R101-G105 WeakPolarHBondContact CA-O 3.39Å; R101-G105 VanDerWaalsContact O-CA 3.24Å; R101-G105 WeakPolarHBondContact O-CA 3.49Å; R101-G105 PolarHBondContact O-N 3.4Å; G105-E107 PolarHBondContact O-N 2.99Å
106	R	52.1	Low	50.9	Low	251 Å²	251	102 Å²	102	95%	0.947	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	5.3	-177.5	-86.8	-174.4	178	-177.6	0.3	114.6	K108	R106-K108 PolarHBondContact O-N 3.4Å
107	E	48.9	Very low	50.3	Low	83 Å²	83	95.6 Å²	95.6	39%	0.388	44%	0.438	S	S	.	.	S	Bend	trans	-69.1	125	178.6	-74.4	-163	145.5	0	0	111.2	G105 G109 A112 R115	G105-E107 PolarHBondContact O-N 2.99Å; E107-G109 PolarHBondContact O-N 3.32Å; E107-A112 HydrophobicContact CB-CB 4.3Å; E107-R115 IonicContact OE1-CZ 2.88Å; E107-R115 IonicContact OE1-NH1 3.63Å; E107-R115 PolarHBondContact OE1-NH1 3.44Å; E107-R115 IonicContact OE2-CZ 3.64Å; E107-R115 IonicContact OE2-NH1 2.91Å; E107-R115 PolarHBondContact OE2-NH1 3.39Å
108	K	48.6	Very low	49.7	Very low	181 Å²	181	96.9 Å²	96.9	79%	0.787	45%	0.448	S	S	*	.			trans	-52.4	126.4	179.7	-66.8	180	178.1	178.3	0	109.7	R106 R110 L111	R106-K108 PolarHBondContact O-N 3.4Å; K108-R110 PolarHBondContact O-N 2.79Å; K108-L111 PolarHBondContact O-N 3.09Å; K108-L111 VanDerWaalsContact O-N 3.1Å
109	G	43.4	Very low	48.7	Very low	20 Å²	20	99.3 Å²	99.3	21%	0.206	46%	0.458	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	2.2	-163.7	0	0	0	0	0	119.3	M100 E107	M100-G109 WeakPolarHBondContact CE-O 3.12Å; E107-G109 PolarHBondContact O-N 3.32Å
110	R	44.7	Very low	47.9	Very low	216 Å²	216	104.6 Å²	104.6	82%	0.815	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-47.2	167	-74.2	-172.3	-151.6	-134.5	3.3	112.3	K108 A112 W113 D114	K108-R110 PolarHBondContact O-N 2.79Å; R110-A112 VanDerWaalsContact C-N 3.32Å; R110-A112 PolarHBondContact O-N 2.67Å; R110-W113 PolarHBondContact O-N 2.77Å; R110-W113 VanDerWaalsContact O-N 3.13Å; R110-D114 PolarHBondContact O-N 2.94Å
111	L	42.6	Very low	47.1	Very low	109 Å²	109	111 Å²	111	57%	0.571	51%	0.51	S	S	*	.	H	α-helix	trans	-65.1	-36	178.7	-88.9	148.7	0	0	0	112.5	K108 W113 D114 R115	K108-L111 PolarHBondContact O-N 3.09Å; K108-L111 VanDerWaalsContact O-N 3.1Å; L111-W113 VanDerWaalsContact C-N 3.34Å; L111-D114 PolarHBondContact O-N 3.46Å; L111-R115 WeakPolarHBondContact O-CB 3.42Å; L111-R115 WeakPolarHBondContact O-CG 3.15Å; L111-R115 PolarHBondContact O-N 3.33Å
112	A	44.6	Very low	46.3	Very low	1 Å²	1	111 Å²	111	1%	0.008	52%	0.52	C	S	.	.	H	α-helix	trans	-66.4	-36.7	174.4	0	0	0	0	0	112.4	M100 F104 E107 R110 F116	M100-A112 HydrophobicContact CE-CB 4.27Å; F104-A112 HydrophobicContact CB-CB 3.49Å; F104-A112 VanDerWaalsContact CB-CB 3.49Å; F104-A112 HydrophobicContact CD1-CB 4.2Å; F104-A112 HydrophobicContact CD2-CB 3.75Å; F104-A112 HydrophobicContact CG-CB 3.56Å; E107-A112 HydrophobicContact CB-CB 4.3Å; R110-A112 VanDerWaalsContact C-N 3.32Å; R110-A112 PolarHBondContact O-N 2.67Å; A112-F116 WeakPolarHBondContact O-CB 3.43Å; A112-F116 PolarHBondContact O-N 2.92Å
113	W	43.2	Very low	45.7	Very low	133 Å²	133	108.4 Å²	108.4	50%	0.504	51%	0.507	S	S	.	.	H	α-helix	trans	-73.3	-41.4	175	-172.6	-99.6	0	0	0	111.6	M100 R110 L111 R115 F116 A117	M100-W113 HydrophobicContact CE-CB 3.86Å; M100-W113 HydrophobicContact CE-CE3 4.13Å; R110-W113 PolarHBondContact O-N 2.77Å; R110-W113 VanDerWaalsContact O-N 3.13Å; L111-W113 VanDerWaalsContact C-N 3.34Å; W113-R115 VanDerWaalsContact C-N 3.31Å; W113-R115 PolarHBondContact O-N 3.49Å; W113-F116 HydrophobicContact CE3-CD1 4.38Å; W113-F116 HydrophobicContact CZ3-CD1 4.17Å; W113-F116 CarbonylContact O-C 3.54Å; W113-F116 PolarHBondContact O-N 3.35Å; W113-A117 WeakPolarHBondContact O-CB 3.45Å; W113-A117 PolarHBondContact O-N 2.98Å
114	D	43.9	Very low	45.2	Very low	91 Å²	91	106.5 Å²	106.5	49%	0.487	50%	0.499	S	S	.	.	H	α-helix	trans	-63.6	-39	174.8	-71.3	-26.3	0	0	0	110.6	R110 L111 A117 T118	R110-D114 PolarHBondContact O-N 2.94Å; L111-D114 PolarHBondContact O-N 3.46Å; D114-A117 CarbonylContact O-C 3.54Å; D114-A117 PolarHBondContact O-N 3.26Å; D114-T118 VanDerWaalsContact O-CB 3.25Å; D114-T118 WeakPolarHBondContact O-CB 3.42Å; D114-T118 WeakPolarHBondContact O-CG2 3.4Å; D114-T118 PolarHBondContact O-N 3.11Å; D114-T118 PolarHBondContact O-OG1 2.99Å
115	R	43.5	Very low	44.6	Very low	135 Å²	135	105.9 Å²	105.9	51%	0.509	50%	0.501	S	S	.	.	H	α-helix	trans	-63.4	-44.4	170.4	-80.2	-178.8	173	175.5	0.8	112.3	E107 L111 W113 A117 T118 F119	E107-R115 IonicContact OE1-CZ 2.88Å; E107-R115 IonicContact OE1-NH1 3.63Å; E107-R115 PolarHBondContact OE1-NH1 3.44Å; E107-R115 IonicContact OE2-CZ 3.64Å; E107-R115 IonicContact OE2-NH1 2.91Å; E107-R115 PolarHBondContact OE2-NH1 3.39Å; L111-R115 WeakPolarHBondContact O-CB 3.42Å; L111-R115 WeakPolarHBondContact O-CG 3.15Å; L111-R115 PolarHBondContact O-N 3.33Å; W113-R115 VanDerWaalsContact C-N 3.31Å; W113-R115 PolarHBondContact O-N 3.49Å; R115-A117 VanDerWaalsContact C-N 3.31Å; R115-A117 PolarHBondContact O-N 2.76Å; R115-T118 VanDerWaalsContact CA-OG1 3.29Å; R115-T118 WeakPolarHBondContact CA-OG1 3.48Å; R115-T118 CarbonylContact O-C 3.51Å; R115-T118 PolarHBondContact O-N 2.95Å; R115-T118 PolarHBondContact O-OG1 2.96Å; R115-F119 VanDerWaalsContact O-CD2 3.25Å; R115-F119 WeakPolarHBondContact O-CD2 3.45Å; R115-F119 PolarHBondContact O-N 3.49Å
116	F	41.1	Very low	44	Very low	105 Å²	105	107.8 Å²	107.8	46%	0.461	51%	0.505	S	S	.	.	H	α-helix	trans	-64.4	-34	174.7	-170.7	-101	0	0	0	112.9	F104 A112 W113	F104-F116 HydrophobicContact CE1-CB 3.78Å; F104-F116 AromaticContact CE1-CD2 3.67Å; F104-F116 HydrophobicContact CE1-CD2 3.67Å; F104-F116 HydrophobicContact CE1-CG 4.03Å; F104-F116 HydrophobicContact CZ-CB 3.64Å; F104-F116 AromaticContact CZ-CD2 3.55Å; F104-F116 HydrophobicContact CZ-CD2 3.55Å; F104-F116 HydrophobicContact CZ-CE2 4.35Å; F104-F116 AromaticContact CZ-CG 3.67Å; F104-F116 HydrophobicContact CZ-CG 3.67Å; A112-F116 WeakPolarHBondContact O-CB 3.43Å; A112-F116 PolarHBondContact O-N 2.92Å; W113-F116 HydrophobicContact CE3-CD1 4.38Å; W113-F116 HydrophobicContact CZ3-CD1 4.17Å; W113-F116 CarbonylContact O-C 3.54Å; W113-F116 PolarHBondContact O-N 3.35Å
117	A	42.5	Very low	43.5	Very low	37 Å²	37	100.8 Å²	100.8	31%	0.306	49%	0.494	S	S	.	.	H	α-helix	trans	-80.1	-24.5	176.1	0	0	0	0	0	112.8	W113 D114 R115 R120	W113-A117 WeakPolarHBondContact O-CB 3.45Å; W113-A117 PolarHBondContact O-N 2.98Å; D114-A117 CarbonylContact O-C 3.54Å; D114-A117 PolarHBondContact O-N 3.26Å; R115-A117 VanDerWaalsContact C-N 3.31Å; R115-A117 PolarHBondContact O-N 2.76Å; A117-R120 WeakPolarHBondContact O-CD 3.24Å; A117-R120 WeakPolarHBondContact O-CG 3.28Å
118	T	44.5	Very low	43.2	Very low	90 Å²	90	99.2 Å²	99.2	55%	0.552	49%	0.49	S	S	*	.	H	α-helix	trans	-95.4	-5.8	175.2	50.2	0	0	0	0	113.7	D114 R115 R120	D114-T118 VanDerWaalsContact O-CB 3.25Å; D114-T118 WeakPolarHBondContact O-CB 3.42Å; D114-T118 WeakPolarHBondContact O-CG2 3.4Å; D114-T118 PolarHBondContact O-N 3.11Å; D114-T118 PolarHBondContact O-OG1 2.99Å; R115-T118 VanDerWaalsContact CA-OG1 3.29Å; R115-T118 WeakPolarHBondContact CA-OG1 3.48Å; R115-T118 CarbonylContact O-C 3.51Å; R115-T118 PolarHBondContact O-N 2.95Å; R115-T118 PolarHBondContact O-OG1 2.96Å; T118-R120 PolarHBondContact O-N 2.81Å
119	F	39.8	Very low	42.8	Very low	120 Å²	120	94 Å²	94	53%	0.526	48%	0.475	S	S	.	.	G	3₁₀ helix	trans	-54.7	-9.9	162.6	-109.6	-83.2	0	0	0	112.5	R115 L121 D123	R115-F119 VanDerWaalsContact O-CD2 3.25Å; R115-F119 WeakPolarHBondContact O-CD2 3.45Å; R115-F119 PolarHBondContact O-N 3.49Å; F119-L121 PolarHBondContact O-N 2.86Å; F119-L121 VanDerWaalsContact O-N 3.08Å; F119-D123 HydrophobicContact CD1-CB 4.33Å; F119-D123 WeakPolarHBondContact O-CB 3.5Å; F119-D123 PolarHBondContact O-N 2.83Å
120	R	41.6	Very low	42.8	Very low	193 Å²	193	98.1 Å²	98.1	73%	0.728	50%	0.498	S	S	*	.	G	3₁₀ helix	trans	-58.8	-4.9	175.3	-77.5	-174.9	172.5	177	-3.4	117.4	A117 T118 T126	A117-R120 WeakPolarHBondContact O-CD 3.24Å; A117-R120 WeakPolarHBondContact O-CG 3.28Å; T118-R120 PolarHBondContact O-N 2.81Å; R120-T126 HydrophobicContact CB-CG2 4.35Å; R120-T126 VanDerWaalsContact O-CG2 3.31Å; R120-T126 WeakPolarHBondContact O-CG2 3.32Å
121	L	40.2	Very low	42.6	Very low	151 Å²	151	91.9 Å²	91.9	79%	0.791	49%	0.487	S	S	*	.	G	3₁₀ helix	trans	-102.2	-22.5	-178.9	-87.8	131.2	0	0	0	114.8	F119	F119-L121 PolarHBondContact O-N 2.86Å; F119-L121 VanDerWaalsContact O-N 3.08Å
122	D	41.5	Very low	42.5	Very low	147 Å²	147	93.1 Å²	93.1	79%	0.786	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-133.8	8.1	-176.3	-68.9	-55.5	0	0	0	114.1
123	D	45.4	Very low	42.4	Very low	45 Å²	45	100.7 Å²	100.7	24%	0.241	52%	0.517	C	S	.	.			trans	-95.4	120.7	-176.9	-164.5	-20.3	0	0	0	111.6	F119 C125 T126	F119-D123 HydrophobicContact CD1-CB 4.33Å; F119-D123 WeakPolarHBondContact O-CB 3.5Å; F119-D123 PolarHBondContact O-N 2.83Å; D123-C125 PolarHBondContact O-N 2.88Å; D123-C125 WeakPolarHBondContact OD1-CB 3.43Å; D123-C125 PolarHBondContact OD1-N 3.27Å; D123-C125 VanDerWaalsContact OD1-N 3.09Å; D123-C125 PolarHBondContact OD1-SG 3.41Å; D123-T126 HydrophobicContact CB-CG2 4.42Å; D123-T126 WeakPolarHBondContact O-CB 3.28Å; D123-T126 VanDerWaalsContact O-CG2 3.32Å; D123-T126 WeakPolarHBondContact O-CG2 3.45Å; D123-T126 PolarHBondContact O-N 3.48Å; D123-T126 PolarHBondContact O-OG1 2.99Å
124	P	43.9	Very low	42.3	Very low	38 Å²	38	99.8 Å²	99.8	25%	0.247	52%	0.521	C	S	.	.	G	3₁₀ helix	trans	-58.3	-13.6	175.8	22.7	-33.3	0	0	0	114.2	T126 S127	P124-T126 PolarHBondContact O-N 3.39Å; P124-S127 PolarHBondContact O-OG 2.9Å
125	C	45.1	Very low	42.1	Very low	38 Å²	38	102.5 Å²	102.5	26%	0.257	54%	0.535	S	S	.	.	G	3₁₀ helix	trans	-74.8	-6.8	173.4	-55.6	0	0	0	0	114.4	D123 S127 V128 W133	D123-C125 PolarHBondContact O-N 2.88Å; D123-C125 WeakPolarHBondContact OD1-CB 3.43Å; D123-C125 PolarHBondContact OD1-N 3.27Å; D123-C125 VanDerWaalsContact OD1-N 3.09Å; D123-C125 PolarHBondContact OD1-SG 3.41Å; C125-S127 PolarHBondContact O-N 3.01Å; C125-V128 WeakPolarHBondContact O-CB 3.37Å; C125-V128 WeakPolarHBondContact O-CG2 3.49Å; C125-V128 PolarHBondContact O-N 3.33Å; C125-W133 HydrophobicContact CB-CZ2 4.41Å
126	T	42.7	Very low	41.9	Very low	80 Å²	80	99.8 Å²	99.8	49%	0.491	53%	0.534	S	S	.	.	G	3₁₀ helix	trans	-69.9	-14.8	175.4	49.7	0	0	0	0	114	R120 D123 P124 V128	R120-T126 HydrophobicContact CB-CG2 4.35Å; R120-T126 VanDerWaalsContact O-CG2 3.31Å; R120-T126 WeakPolarHBondContact O-CG2 3.32Å; D123-T126 HydrophobicContact CB-CG2 4.42Å; D123-T126 WeakPolarHBondContact O-CB 3.28Å; D123-T126 VanDerWaalsContact O-CG2 3.32Å; D123-T126 WeakPolarHBondContact O-CG2 3.45Å; D123-T126 PolarHBondContact O-N 3.48Å; D123-T126 PolarHBondContact O-OG1 2.99Å; P124-T126 PolarHBondContact O-N 3.39Å; T126-V128 PolarHBondContact O-N 3.26Å
127	S	41.2	Very low	41.9	Very low	103 Å²	103	99.8 Å²	99.8	72%	0.72	55%	0.545	S	S	*	.	G	3₁₀ helix	trans	-76.9	-5.9	172.3	60.4	0	0	0	0	113.8	P124 C125	P124-S127 PolarHBondContact O-OG 2.9Å; C125-S127 PolarHBondContact O-N 3.01Å
128	V	42.3	Very low	41.8	Very low	50 Å²	50	104.4 Å²	104.4	30%	0.303	56%	0.56	S	S	.	*	S	Bend	trans	-86.1	121.7	177.6	-177.8	0	0	0	0	109.1	C125 T126 F132	C125-V128 WeakPolarHBondContact O-CB 3.37Å; C125-V128 WeakPolarHBondContact O-CG2 3.49Å; C125-V128 PolarHBondContact O-N 3.33Å; T126-V128 PolarHBondContact O-N 3.26Å; V128-F132 HydrophobicContact CG1-CB 3.49Å; V128-F132 VanDerWaalsContact CG1-CB 3.49Å; V128-F132 HydrophobicContact CG1-CD1 4.4Å; V128-F132 HydrophobicContact CG1-CD2 4.49Å; V128-F132 HydrophobicContact CG1-CG 3.9Å
129	P	41.2	Very low	41.4	Very low	73 Å²	73	107.4 Å²	107.4	47%	0.474	57%	0.568	S	S	.	*			trans	-55.9	143.1	-175.7	16.9	-28.3	0	0	0	112	S131 F132	P129-S131 PolarHBondContact O-N 2.92Å; P129-F132 WeakPolarHBondContact O-CB 3.48Å; P129-F132 PolarHBondContact O-N 3.45Å
130	P	43.1	Very low	41.2	Very low	106 Å²	106	108.6 Å²	108.6	69%	0.688	58%	0.58	S	S	*	*	G	3₁₀ helix	trans	-53.3	-27.9	-173	-26.9	32.8	0	0	0	114.8	F132 W133	P130-F132 PolarHBondContact O-N 2.72Å; P130-W133 PolarHBondContact O-N 2.97Å; P130-W133 VanDerWaalsContact O-N 3.13Å
131	S	41.6	Very low	40.8	Very low	84 Å²	84	104.1 Å²	104.1	59%	0.587	58%	0.578	S	S	*	*	G	3₁₀ helix	trans	-61	-22.6	177.8	50.4	0	0	0	0	114.1	P129 W133	P129-S131 PolarHBondContact O-N 2.92Å; S131-W133 VanDerWaalsContact C-N 3.31Å; S131-W133 PolarHBondContact O-N 2.92Å
132	F	40.6	Very low	40.4	Very low	136 Å²	136	101.4 Å²	101.4	60%	0.596	57%	0.572	S	S	*	*	G	3₁₀ helix	trans	-76.4	-18.4	177.8	-113.6	-94.1	0	0	0	113.8	V128 P129 P130	V128-F132 HydrophobicContact CG1-CB 3.49Å; V128-F132 VanDerWaalsContact CG1-CB 3.49Å; V128-F132 HydrophobicContact CG1-CD1 4.4Å; V128-F132 HydrophobicContact CG1-CD2 4.49Å; V128-F132 HydrophobicContact CG1-CG 3.9Å; P129-F132 WeakPolarHBondContact O-CB 3.48Å; P129-F132 PolarHBondContact O-N 3.45Å; P130-F132 PolarHBondContact O-N 2.72Å
133	W	41.4	Very low	40.1	Very low	159 Å²	159	105.7 Å²	105.7	60%	0.602	58%	0.577	S	S	*	*	G	3₁₀ helix	trans	-102.7	-0.1	-177.9	-61	102.9	0	0	0	113.5	C125 P130 S131 L135	C125-W133 HydrophobicContact CB-CZ2 4.41Å; P130-W133 PolarHBondContact O-N 2.97Å; P130-W133 VanDerWaalsContact O-N 3.13Å; S131-W133 VanDerWaalsContact C-N 3.31Å; S131-W133 PolarHBondContact O-N 2.92Å; W133-L135 PolarHBondContact O-N 2.95Å
134	I	40.6	Very low	39.7	Very low	115 Å²	115	108.2 Å²	108.2	59%	0.59	60%	0.598	S	S	*	*			trans	-73	98.8	176	-55.7	178.3	0	0	0	107.6
135	L	39.3	Very low	39.3	Very low	147 Å²	147	115.1 Å²	115.1	77%	0.77	63%	0.627	S	S	*	*	P	Polyproline II helix	trans	-55.4	132.1	154.9	-77.5	159.8	0	0	0	106.9	W133	W133-L135 PolarHBondContact O-N 2.95Å
136	P	41.2	Very low	38.9	Very low	78 Å²	78	121.9 Å²	121.9	51%	0.506	66%	0.655	S	S	.	*	P	Polyproline II helix	trans	-54.3	135.4	176.4	23.2	-31.9	0	0	0	108.4	E138	P136-E138 PolarHBondContact O-N 3.12Å
137	P	40.6	Very low	38.7	Very low	105 Å²	105	123.9 Å²	123.9	68%	0.682	67%	0.667	S	S	*	*	P	Polyproline II helix	trans	-51.7	130.2	-176	18.7	-30.3	0	0	0	109.9	Q139	P137-Q139 PolarHBondContact O-N 3.04Å
138	E	40.1	Very low	38.6	Very low	134 Å²	134	124.6 Å²	124.6	63%	0.626	67%	0.667	S	S	*	*	S	Bend	trans	-77.6	60.8	171.9	-68.3	-150.9	142.7	0	0	109.3	M1 R9 P136	M1-E138 WeakPolarHBondContact CE-OE1 3.35Å; R9-E138 IonicContact CZ-OE1 3.35Å; R9-E138 IonicContact NH1-OE1 3.58Å; R9-E138 PolarHBondContact NH1-OE1 3.38Å; R9-E138 IonicContact NH2-OE1 3.54Å; P136-E138 PolarHBondContact O-N 3.12Å
139	Q	36	Very low	38.6	Very low	153 Å²	153	127.1 Å²	127.1	72%	0.715	68%	0.684	S	S	*	*	S	Bend	trans	-169.6	119.6	166.1	-107.4	156.8	39.8	0	0	109.3	P137	P137-Q139 PolarHBondContact O-N 3.04Å
140	D	34.8	Very low	38.6	Very low	145 Å²	145	130.6 Å²	130.6	78%	0.775	70%	0.703	S	S	*	*			trans	72.1	128.3	147.6	-52.7	-30.8	0	0	0	121.3
141	S	34	Very low	38.7	Very low	100 Å²	100	131.7 Å²	131.7	70%	0.699	71%	0.709	S	S	*	*			trans	76.1	118.8	139.5	-163.5	0	0	0	0	119.2
142	S	31.1	Very low	38.7	Very low	93 Å²	93	139.6 Å²	139.6	65%	0.65	74%	0.743	S	S	*	*			trans	52.2	82.6	150.7	62.9	0	0	0	0	117.9	S144	S142-S144 PolarHBondContact O-N 3.33Å
143	W	35.4	Very low	38.6	Very low	238 Å²	238	139.8 Å²	139.8	90%	0.902	75%	0.75	S	S	*	*			trans	-86.3	92.3	148.4	-71.7	84.3	0	0	0	107.4	E145	W143-E145 PolarHBondContact O-N 3.2Å
144	S	38.3	Very low	38.5	Very low	97 Å²	97	138.7 Å²	138.7	68%	0.678	76%	0.758	S	S	*	*			trans	-57.2	126.2	163.3	-35.6	0	0	0	0	108.1	S142 E146	S142-S144 PolarHBondContact O-N 3.33Å; S144-E146 PolarHBondContact O-N 3.16Å
145	E	34	Very low	38.3	Very low	183 Å²	183	140.1 Å²	140.1	86%	0.855	77%	0.767	S	S	*	*			trans	-64.6	96.5	165.2	-76.9	175.4	142.1	0	0	108.6	W143 V147	W143-E145 PolarHBondContact O-N 3.2Å; E145-V147 PolarHBondContact O-N 3.42Å
146	E	38	Very low	38.3	Very low	180 Å²	180	139.6 Å²	139.6	84%	0.841	77%	0.767	S	S	*	*			trans	-85.2	94.8	153	-85.7	-168.7	158.9	0	0	108.2	S144 V148	S144-E146 PolarHBondContact O-N 3.16Å; E146-V148 PolarHBondContact O-N 3.14Å
147	V	39.1	Very low	38.1	Very low	122 Å²	122	143.5 Å²	143.5	74%	0.739	78%	0.783	S	S	*	*			trans	-65.4	103.7	160.3	179.2	0	0	0	0	106.9	E145 P149	E145-V147 PolarHBondContact O-N 3.42Å; V147-P149 WeakPolarHBondContact O-CD 3.4Å
148	V	38.4	Very low	37.9	Very low	119 Å²	119	146.1 Å²	146.1	72%	0.721	79%	0.79	S	S	*	*			trans	-84.1	115.9	166.5	-176.5	0	0	0	0	107.6	E146 V150	E146-V148 PolarHBondContact O-N 3.14Å; V148-V150 PolarHBondContact O-N 3.16Å
149	P	42.4	Very low	37.8	Very low	103 Å²	103	146.9 Å²	146.9	67%	0.669	80%	0.802	S	S	*	*			trans	-74.1	127.2	177	28.9	-30.6	0	0	0	110	V147 T151	V147-P149 WeakPolarHBondContact O-CD 3.4Å; P149-T151 PolarHBondContact O-N 3.3Å
150	V	40.8	Very low	37.9	Very low	145 Å²	145	146.5 Å²	146.5	88%	0.879	81%	0.809	S	S	*	*			trans	-84.1	105.7	164.3	-179.8	0	0	0	0	106.8	V148	V148-V150 PolarHBondContact O-N 3.16Å
151	T	45.3	Very low	38.2	Very low	130 Å²	130	146.6 Å²	146.6	80%	0.798	81%	0.811	S	S	*	*			trans	-72	141.7	166.9	3.1	0	0	0	0	110.3	P149	P149-T151 PolarHBondContact O-N 3.3Å
152	L	41.5	Very low	38.6	Very low	249 Å²	249	150.8 Å²	150.8	100%	1.304	82%	0.821	S	S	*	*			trans	-36.8	0	-176.1	-74.7	152.1	0	0	0	116.9

Retrieved 152 of 152 residues in 27.1 ms (Link to these results)

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