G4VF85_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession G4VF85, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 164 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	54.6	Low	59.2	Low	198 Å²	198	123.3 Å²	123.3	98%	0.975	65%	0.652	S	S	*	*				0	-38.8	0	-142.9	170.3	100	0	0	113.3	L3 C4	M1-L3 PolarHBondContact O-N 2.84Å; M1-C4 PolarHBondContact O-N 3.49Å
2	F	50.4	Low	60.1	Low	183 Å²	183	115.8 Å²	115.8	80%	0.803	63%	0.626	S	S	*	*	H	α-helix	trans	-62.8	-35.2	178	-80.5	-82	0	0	0	115.2	C4 I5 L6	F2-C4 VanDerWaalsContact C-N 3.34Å; F2-C4 PolarHBondContact O-N 3.17Å; F2-I5 PolarHBondContact O-N 3.38Å; F2-L6 PolarHBondContact O-N 2.92Å
3	L	55.3	Low	61.3	Low	141 Å²	141	116.1 Å²	116.1	74%	0.738	62%	0.619	S	S	*	*	H	α-helix	trans	-62.4	-36.7	-179.9	-72.6	166.8	0	0	0	113	M1 I5 L6 V7	M1-L3 PolarHBondContact O-N 2.84Å; L3-I5 PolarHBondContact O-N 3.47Å; L3-L6 PolarHBondContact O-N 2.92Å; L3-V7 WeakPolarHBondContact O-CG2 3.4Å; L3-V7 PolarHBondContact O-N 3.32Å; L3-V7 VanDerWaalsContact O-N 3.16Å
4	C	54.3	Low	62.3	Low	91 Å²	91	113.5 Å²	113.5	62%	0.615	61%	0.613	S	S	*	*	H	α-helix	trans	-68.4	-34.5	179.4	-59.3	0	0	0	0	112.6	M1 F2 T8	M1-C4 PolarHBondContact O-N 3.49Å; F2-C4 VanDerWaalsContact C-N 3.34Å; F2-C4 PolarHBondContact O-N 3.17Å; C4-T8 WeakPolarHBondContact O-CG2 3.38Å; C4-T8 PolarHBondContact O-N 2.91Å; C4-T8 PolarHBondContact O-OG1 3Å
5	I	56.8	Low	63.1	Low	95 Å²	95	112.6 Å²	112.6	49%	0.487	61%	0.607	S	S	.	*	H	α-helix	trans	-70.5	-37.5	177.2	-58.2	172	0	0	0	110.1	F2 L3 V7 T8 F9	F2-I5 PolarHBondContact O-N 3.38Å; L3-I5 PolarHBondContact O-N 3.47Å; I5-V7 VanDerWaalsContact C-N 3.35Å; I5-V7 PolarHBondContact O-N 3.12Å; I5-T8 PolarHBondContact O-N 3.15Å; I5-T8 PolarHBondContact O-OG1 3.27Å; I5-F9 WeakPolarHBondContact O-CB 3.27Å; I5-F9 PolarHBondContact O-N 3.19Å
6	L	57.5	Low	64	Low	132 Å²	132	113.4 Å²	113.4	69%	0.691	61%	0.61	S	S	*	*	H	α-helix	trans	-64.7	-40.6	177.7	-138.2	97.9	0	0	0	111.7	F2 L3 G10	F2-L6 PolarHBondContact O-N 2.92Å; L3-L6 PolarHBondContact O-N 2.92Å; L6-G10 PolarHBondContact O-N 3.18Å
7	V	59.1	Low	64.8	Low	106 Å²	106	112.6 Å²	112.6	64%	0.642	60%	0.6	S	S	*	*	H	α-helix	trans	-67.9	-41	179.2	175	0	0	0	0	111.5	L3 I5 H11	L3-V7 WeakPolarHBondContact O-CG2 3.4Å; L3-V7 PolarHBondContact O-N 3.32Å; L3-V7 VanDerWaalsContact O-N 3.16Å; I5-V7 VanDerWaalsContact C-N 3.35Å; I5-V7 PolarHBondContact O-N 3.12Å; V7-H11 WeakPolarHBondContact O-CB 3.33Å; V7-H11 PolarHBondContact O-N 3.47Å
8	T	60.1	Low	65.6	Low	94 Å²	94	111.7 Å²	111.7	58%	0.577	60%	0.595	S	S	*	*	H	α-helix	trans	-69.9	-38	177.2	55.3	0	0	0	0	112.3	C4 I5 H11 G12	C4-T8 WeakPolarHBondContact O-CG2 3.38Å; C4-T8 PolarHBondContact O-N 2.91Å; C4-T8 PolarHBondContact O-OG1 3Å; I5-T8 PolarHBondContact O-N 3.15Å; I5-T8 PolarHBondContact O-OG1 3.27Å; T8-H11 PolarHBondContact O-N 3.1Å; T8-G12 PolarHBondContact O-N 2.95Å
9	F	60.3	Low	66.3	Low	158 Å²	158	114.6 Å²	114.6	69%	0.693	60%	0.602	S	S	*	*	H	α-helix	trans	-67	-41.4	175.9	-146.9	-91.6	0	0	0	111.5	I5 H11 G12 F13	I5-F9 WeakPolarHBondContact O-CB 3.27Å; I5-F9 PolarHBondContact O-N 3.19Å; F9-H11 VanDerWaalsContact C-N 3.34Å; F9-H11 PolarHBondContact O-N 3.24Å; F9-G12 PolarHBondContact O-N 2.95Å; F9-F13 WeakPolarHBondContact O-CB 3.37Å; F9-F13 PolarHBondContact O-N 2.88Å
10	G	69	Low	66.9	Low	39 Å²	39	113.6 Å²	113.6	40%	0.402	60%	0.597	S	S	.	*	H	α-helix	trans	-60.1	-42.3	173.2	0	0	0	0	0	112.5	L6 F13 C14	L6-G10 PolarHBondContact O-N 3.18Å; G10-F13 PolarHBondContact O-N 2.93Å; G10-C14 WeakPolarHBondContact O-CB 3.36Å; G10-C14 PolarHBondContact O-N 3.45Å
11	H	73.2	Confident	67.3	Low	119 Å²	119	112.9 Å²	112.9	55%	0.551	59%	0.593	S	S	*	*	H	α-helix	trans	-68.1	-40	178.5	-160.3	-55.7	0	0	0	112.6	V7 T8 F9 L15	V7-H11 WeakPolarHBondContact O-CB 3.33Å; V7-H11 PolarHBondContact O-N 3.47Å; T8-H11 PolarHBondContact O-N 3.1Å; F9-H11 VanDerWaalsContact C-N 3.34Å; F9-H11 PolarHBondContact O-N 3.24Å; H11-L15 WeakPolarHBondContact O-CG 3.36Å; H11-L15 PolarHBondContact O-N 3.38Å
12	G	70.6	Confident	68.4	Low	33 Å²	33	110.8 Å²	110.8	34%	0.34	58%	0.578	S	S	.	*	H	α-helix	trans	-63.5	-42.1	174.7	0	0	0	0	0	112.3	T8 F9 L15 L16	T8-G12 PolarHBondContact O-N 2.95Å; F9-G12 PolarHBondContact O-N 2.95Å; G12-L15 PolarHBondContact O-N 3.19Å; G12-L16 PolarHBondContact O-N 3.49Å
13	F	75.9	Confident	69.7	Low	120 Å²	120	108.6 Å²	108.6	53%	0.526	57%	0.569	S	S	.	*	H	α-helix	trans	-67.2	-42.3	178.6	-167.3	-101.6	0	0	0	112.5	F9 G10 L15 L16 F17	F9-F13 WeakPolarHBondContact O-CB 3.37Å; F9-F13 PolarHBondContact O-N 2.88Å; G10-F13 PolarHBondContact O-N 2.93Å; F13-L15 VanDerWaalsContact C-N 3.31Å; F13-L15 PolarHBondContact O-N 2.9Å; F13-L16 PolarHBondContact O-N 3.36Å; F13-F17 AromaticContact CD1-CD2 3.85Å; F13-F17 HydrophobicContact CD1-CD2 3.85Å; F13-F17 HydrophobicContact CD1-CE2 4.24Å; F13-F17 AromaticContact CE1-CD2 3.39Å; F13-F17 HydrophobicContact CE1-CD2 3.39Å; F13-F17 AromaticContact CE1-CE2 3.34Å; F13-F17 HydrophobicContact CE1-CE2 3.34Å; F13-F17 HydrophobicContact CE1-CG 4.46Å; F13-F17 HydrophobicContact CE1-CZ 4.34Å; F13-F17 HydrophobicContact CE2-CD2 4.2Å; F13-F17 AromaticContact CE2-CE2 3.96Å; F13-F17 HydrophobicContact CE2-CE2 3.96Å; F13-F17 HydrophobicContact CG-CD2 4.44Å; F13-F17 AromaticContact CZ-CD2 3.63Å; F13-F17 HydrophobicContact CZ-CD2 3.63Å; F13-F17 AromaticContact CZ-CE2 3.19Å; F13-F17 HydrophobicContact CZ-CE2 3.19Å; F13-F17 HydrophobicContact CZ-CZ 4.25Å; F13-F17 PolarHBondContact O-N 3.47Å
14	C	74.9	Confident	70.6	Confident	80 Å²	80	106 Å²	106	54%	0.541	55%	0.554	S	S	.	*	H	α-helix	trans	-59.2	-39.3	173.7	-90.3	0	0	0	0	112.7	G10 F17 N18	G10-C14 WeakPolarHBondContact O-CB 3.36Å; G10-C14 PolarHBondContact O-N 3.45Å; C14-F17 PolarHBondContact O-N 3.34Å; C14-N18 WeakPolarHBondContact O-CB 3.45Å; C14-N18 PolarHBondContact O-N 3.29Å
15	L	74.4	Confident	71.3	Confident	100 Å²	100	107.1 Å²	107.1	52%	0.524	55%	0.551	S	S	.	*	H	α-helix	trans	-67.2	-38.7	177.3	-73.5	171.7	0	0	0	112.4	H11 G12 F13 K19	H11-L15 WeakPolarHBondContact O-CG 3.36Å; H11-L15 PolarHBondContact O-N 3.38Å; G12-L15 PolarHBondContact O-N 3.19Å; F13-L15 VanDerWaalsContact C-N 3.31Å; F13-L15 PolarHBondContact O-N 2.9Å; L15-K19 PolarHBondContact O-N 3.46Å; L15-K19 VanDerWaalsContact O-N 3.12Å
16	L	76.9	Confident	72	Confident	125 Å²	125	105.6 Å²	105.6	65%	0.654	55%	0.548	S	S	*	.	H	α-helix	trans	-66.2	-44.5	174.8	-101.8	134.3	0	0	0	111.6	G12 F13 K19 L20	G12-L16 PolarHBondContact O-N 3.49Å; F13-L16 PolarHBondContact O-N 3.36Å; L16-K19 PolarHBondContact O-N 3.16Å; L16-L20 PolarHBondContact O-N 3.48Å
17	F	78.1	Confident	72.4	Confident	101 Å²	101	102.2 Å²	102.2	44%	0.443	53%	0.533	S	S	.	.	H	α-helix	trans	-62.6	-43.3	176.8	-107.8	-92.1	0	0	0	112.2	F13 C14 K19 L20 L21	F13-F17 AromaticContact CD1-CD2 3.85Å; F13-F17 HydrophobicContact CD1-CD2 3.85Å; F13-F17 HydrophobicContact CD1-CE2 4.24Å; F13-F17 AromaticContact CE1-CD2 3.39Å; F13-F17 HydrophobicContact CE1-CD2 3.39Å; F13-F17 AromaticContact CE1-CE2 3.34Å; F13-F17 HydrophobicContact CE1-CE2 3.34Å; F13-F17 HydrophobicContact CE1-CG 4.46Å; F13-F17 HydrophobicContact CE1-CZ 4.34Å; F13-F17 HydrophobicContact CE2-CD2 4.2Å; F13-F17 AromaticContact CE2-CE2 3.96Å; F13-F17 HydrophobicContact CE2-CE2 3.96Å; F13-F17 HydrophobicContact CG-CD2 4.44Å; F13-F17 AromaticContact CZ-CD2 3.63Å; F13-F17 HydrophobicContact CZ-CD2 3.63Å; F13-F17 AromaticContact CZ-CE2 3.19Å; F13-F17 HydrophobicContact CZ-CE2 3.19Å; F13-F17 HydrophobicContact CZ-CZ 4.25Å; F13-F17 PolarHBondContact O-N 3.47Å; C14-F17 PolarHBondContact O-N 3.34Å; F17-K19 VanDerWaalsContact C-N 3.32Å; F17-K19 PolarHBondContact O-N 3.17Å; F17-L20 PolarHBondContact O-N 3.4Å; F17-L21 WeakPolarHBondContact O-CB 3.41Å; F17-L21 PolarHBondContact O-N 2.86Å
18	N	79.7	Confident	72.6	Confident	96 Å²	96	103.2 Å²	103.2	51%	0.513	53%	0.531	S	S	.	.	H	α-helix	trans	-62.8	-36.8	175.8	-84.1	-18.1	0	0	0	112.7	C14 K22	C14-N18 WeakPolarHBondContact O-CB 3.45Å; C14-N18 PolarHBondContact O-N 3.29Å; N18-K22 WeakPolarHBondContact O-CB 3.46Å; N18-K22 WeakPolarHBondContact O-CG 3.39Å; N18-K22 PolarHBondContact O-N 2.91Å; N18-K22 VanDerWaalsContact O-N 3.1Å
19	K	77.8	Confident	72.4	Confident	166 Å²	166	102.8 Å²	102.8	72%	0.722	53%	0.525	S	S	*	.	H	α-helix	trans	-67.2	-39.8	173.7	-82.6	-173.6	176.3	-178.9	0	112	L15 L16 F17 F23	L15-K19 PolarHBondContact O-N 3.46Å; L15-K19 VanDerWaalsContact O-N 3.12Å; L16-K19 PolarHBondContact O-N 3.16Å; F17-K19 VanDerWaalsContact C-N 3.32Å; F17-K19 PolarHBondContact O-N 3.17Å; K19-F23 WeakPolarHBondContact O-CB 3.47Å; K19-F23 PolarHBondContact O-N 3.26Å
20	L	78.2	Confident	72.2	Confident	95 Å²	95	100.2 Å²	100.2	50%	0.497	52%	0.518	S	S	.	.	H	α-helix	trans	-67.4	-44.2	179	-166.9	72.7	0	0	0	111.4	L16 F17 F23 I24	L16-L20 PolarHBondContact O-N 3.48Å; F17-L20 PolarHBondContact O-N 3.4Å; L20-F23 WeakPolarHBondContact O-CB 3.33Å; L20-F23 PolarHBondContact O-N 3.38Å; L20-F23 VanDerWaalsContact O-N 3.16Å; L20-I24 HydrophobicContact CG-CD1 4.19Å; L20-I24 WeakPolarHBondContact O-CG1 3.46Å; L20-I24 PolarHBondContact O-N 2.94Å
21	L	76.8	Confident	71.4	Confident	98 Å²	98	103 Å²	103	51%	0.513	52%	0.524	S	S	.	.	H	α-helix	trans	-58.5	-48.4	174.7	-91.5	150.8	0	0	0	111.5	F17 F23 I24 E25	F17-L21 WeakPolarHBondContact O-CB 3.41Å; F17-L21 PolarHBondContact O-N 2.86Å; L21-F23 VanDerWaalsContact C-N 3.26Å; L21-F23 PolarHBondContact O-N 3.37Å; L21-I24 PolarHBondContact O-N 2.94Å; L21-E25 WeakPolarHBondContact O-CB 3.48Å; L21-E25 PolarHBondContact O-N 3.37Å
22	K	78.1	Confident	70.1	Confident	155 Å²	155	103.6 Å²	103.6	67%	0.674	53%	0.527	S	S	*	.	H	α-helix	trans	-60.7	-34.4	175.5	-76.2	-177	177.9	-172.6	0	113.1	N18 S26	N18-K22 WeakPolarHBondContact O-CB 3.46Å; N18-K22 WeakPolarHBondContact O-CG 3.39Å; N18-K22 PolarHBondContact O-N 2.91Å; N18-K22 VanDerWaalsContact O-N 3.1Å; K22-S26 WeakPolarHBondContact O-CB 3.33Å; K22-S26 PolarHBondContact O-N 2.96Å
23	F	77.3	Confident	69	Low	137 Å²	137	111.7 Å²	111.7	60%	0.601	55%	0.548	S	S	*	.	H	α-helix	trans	-69.4	-44.4	176.4	-176.8	-97.8	0	0	0	111.6	K19 L20 L21 S26 V27	K19-F23 WeakPolarHBondContact O-CB 3.47Å; K19-F23 PolarHBondContact O-N 3.26Å; L20-F23 WeakPolarHBondContact O-CB 3.33Å; L20-F23 PolarHBondContact O-N 3.38Å; L20-F23 VanDerWaalsContact O-N 3.16Å; L21-F23 VanDerWaalsContact C-N 3.26Å; L21-F23 PolarHBondContact O-N 3.37Å; F23-S26 PolarHBondContact O-N 3.19Å; F23-V27 HydrophobicContact CD1-CG2 4.38Å; F23-V27 HydrophobicContact CE1-CG2 4.01Å; F23-V27 HydrophobicContact CZ-CG2 4.11Å; F23-V27 WeakPolarHBondContact O-CG2 3.36Å; F23-V27 PolarHBondContact O-N 2.99Å
24	I	73.9	Confident	67.7	Low	85 Å²	85	113 Å²	113	44%	0.436	55%	0.553	S	S	.	*	H	α-helix	trans	-63.9	-43.6	177.8	-65.6	166	0	0	0	110.6	L20 L21 S26 V27 Q28	L20-I24 HydrophobicContact CG-CD1 4.19Å; L20-I24 WeakPolarHBondContact O-CG1 3.46Å; L20-I24 PolarHBondContact O-N 2.94Å; L21-I24 PolarHBondContact O-N 2.94Å; I24-S26 PolarHBondContact O-N 3.23Å; I24-V27 PolarHBondContact O-N 3.41Å; I24-Q28 PolarHBondContact O-N 3.24Å
25	E	69.2	Low	66.3	Low	116 Å²	116	116.3 Å²	116.3	54%	0.542	56%	0.561	S	S	.	*	H	α-helix	trans	-64.8	-37.8	177.4	-168.5	176.5	-163.8	0	0	111.9	L21 Q28 N29	L21-E25 WeakPolarHBondContact O-CB 3.48Å; L21-E25 PolarHBondContact O-N 3.37Å; E25-Q28 PolarHBondContact O-N 3.04Å; E25-N29 WeakPolarHBondContact O-CB 3.47Å; E25-N29 VanDerWaalsContact O-CG 3.31Å; E25-N29 PolarHBondContact O-N 3.34Å; E25-N29 PolarHBondContact O-ND2 3.21Å; E25-N29 VanDerWaalsContact O-ND2 3.1Å
26	S	70.8	Confident	64.7	Low	62 Å²	62	118 Å²	118	43%	0.434	57%	0.57	S	S	.	*	H	α-helix	trans	-62.4	-42.7	172.8	179.3	0	0	0	0	112.2	K22 F23 I24 D30	K22-S26 WeakPolarHBondContact O-CB 3.33Å; K22-S26 PolarHBondContact O-N 2.96Å; F23-S26 PolarHBondContact O-N 3.19Å; I24-S26 PolarHBondContact O-N 3.23Å; S26-D30 WeakPolarHBondContact O-CB 3.49Å; S26-D30 PolarHBondContact O-N 2.95Å
27	V	66.5	Low	63.3	Low	62 Å²	62	115.8 Å²	115.8	38%	0.376	57%	0.565	S	S	.	*	H	α-helix	trans	-68.9	-42.1	179.9	173	0	0	0	0	110.7	F23 I24 D30 D31	F23-V27 HydrophobicContact CD1-CG2 4.38Å; F23-V27 HydrophobicContact CE1-CG2 4.01Å; F23-V27 HydrophobicContact CZ-CG2 4.11Å; F23-V27 WeakPolarHBondContact O-CG2 3.36Å; F23-V27 PolarHBondContact O-N 2.99Å; I24-V27 PolarHBondContact O-N 3.41Å; V27-D30 PolarHBondContact O-N 3.39Å; V27-D31 PolarHBondContact O-N 3.1Å; V27-D31 VanDerWaalsContact O-N 3.1Å
28	Q	62.8	Low	61.8	Low	126 Å²	126	116.4 Å²	116.4	59%	0.589	57%	0.573	S	S	*	*	H	α-helix	trans	-64.7	-42.6	176.2	-82.7	-175.8	-33.9	0	0	112.6	I24 E25 D30 D31 E32	I24-Q28 PolarHBondContact O-N 3.24Å; E25-Q28 PolarHBondContact O-N 3.04Å; Q28-D30 VanDerWaalsContact C-N 3.33Å; Q28-D30 PolarHBondContact O-N 3.49Å; Q28-D31 PolarHBondContact O-N 3.31Å; Q28-E32 PolarHBondContact O-N 3.16Å
29	N	55.2	Low	59.8	Low	86 Å²	86	118.5 Å²	118.5	46%	0.46	58%	0.584	S	S	.	*	H	α-helix	trans	-65.2	-36.2	177.2	-78.1	-37.3	0	0	0	112.3	E25 D31 R33	E25-N29 WeakPolarHBondContact O-CB 3.47Å; E25-N29 VanDerWaalsContact O-CG 3.31Å; E25-N29 PolarHBondContact O-N 3.34Å; E25-N29 PolarHBondContact O-ND2 3.21Å; E25-N29 VanDerWaalsContact O-ND2 3.1Å; N29-D31 VanDerWaalsContact C-N 3.3Å; N29-R33 VanDerWaalsContact O-CB 3.27Å; N29-R33 WeakPolarHBondContact O-CB 3.5Å; N29-R33 PolarHBondContact O-N 3.03Å
30	D	56.9	Low	57.9	Low	103 Å²	103	118.2 Å²	118.2	55%	0.551	59%	0.585	S	S	*	*	H	α-helix	trans	-65.2	-35.9	174	-83.9	-22.7	0	0	0	111.7	S26 V27 Q28 K34	S26-D30 WeakPolarHBondContact O-CB 3.49Å; S26-D30 PolarHBondContact O-N 2.95Å; V27-D30 PolarHBondContact O-N 3.39Å; Q28-D30 VanDerWaalsContact C-N 3.33Å; Q28-D30 PolarHBondContact O-N 3.49Å; D30-K34 WeakPolarHBondContact O-CB 3.47Å; D30-K34 PolarHBondContact O-N 3Å
31	D	52.1	Low	56.2	Low	97 Å²	97	119.2 Å²	119.2	52%	0.519	59%	0.591	S	S	.	*	H	α-helix	trans	-72.8	-42.8	176.5	-76.5	-26.6	0	0	0	112.4	V27 Q28 N29 K34 Q35	V27-D31 PolarHBondContact O-N 3.1Å; V27-D31 VanDerWaalsContact O-N 3.1Å; Q28-D31 PolarHBondContact O-N 3.31Å; N29-D31 VanDerWaalsContact C-N 3.3Å; D31-K34 WeakPolarHBondContact O-CB 3.35Å; D31-K34 PolarHBondContact O-N 3.1Å; D31-Q35 PolarHBondContact O-N 2.71Å
32	E	46	Very low	54.5	Low	133 Å²	133	122.6 Å²	122.6	62%	0.621	61%	0.608	S	S	*	*	H	α-helix	trans	-64.4	-40.9	175.2	-82.9	-164.5	156.3	0	0	111.8	Q28 K34 Q35 N36	Q28-E32 PolarHBondContact O-N 3.16Å; E32-K34 PolarHBondContact O-N 3.12Å; E32-Q35 PolarHBondContact O-N 2.99Å; E32-Q35 VanDerWaalsContact O-N 3.12Å; E32-N36 PolarHBondContact O-N 3.47Å
33	R	47.8	Very low	52.4	Low	203 Å²	203	120.4 Å²	120.4	77%	0.766	61%	0.608	S	S	*	*	H	α-helix	trans	-64	-29	176.6	-158.3	176.5	-171.9	-168.2	2.9	111.8	N29 S37	N29-R33 VanDerWaalsContact O-CB 3.27Å; N29-R33 WeakPolarHBondContact O-CB 3.5Å; N29-R33 PolarHBondContact O-N 3.03Å; R33-S37 PolarHBondContact O-N 3.04Å
34	K	48.1	Very low	50.5	Low	147 Å²	147	121.6 Å²	121.6	64%	0.639	62%	0.62	S	S	*	*	H	α-helix	trans	-76.5	-31.8	173.9	-124.1	177.1	-177.6	177.1	0	113.5	D30 D31 E32 S37 N38	D30-K34 WeakPolarHBondContact O-CB 3.47Å; D30-K34 PolarHBondContact O-N 3Å; D31-K34 WeakPolarHBondContact O-CB 3.35Å; D31-K34 PolarHBondContact O-N 3.1Å; E32-K34 PolarHBondContact O-N 3.12Å; K34-S37 PolarHBondContact O-OG 3.06Å; K34-N38 VanDerWaalsContact O-CG 3.29Å; K34-N38 PolarHBondContact O-ND2 3.31Å; K34-N38 VanDerWaalsContact O-ND2 3.15Å
35	Q	45.5	Very low	48.7	Very low	150 Å²	150	125.3 Å²	125.3	70%	0.701	64%	0.636	S	S	*	*	H	α-helix	trans	-74.4	-39.8	174.2	-79.2	-172.3	-14.2	0	0	111.5	D31 E32 S37 N38	D31-Q35 PolarHBondContact O-N 2.71Å; E32-Q35 PolarHBondContact O-N 2.99Å; E32-Q35 VanDerWaalsContact O-N 3.12Å; Q35-S37 VanDerWaalsContact C-N 3.31Å; Q35-S37 PolarHBondContact O-N 2.97Å; Q35-N38 PolarHBondContact O-N 3.37Å; Q35-N38 VanDerWaalsContact O-N 3.17Å
36	N	41.5	Very low	47.1	Very low	135 Å²	135	125.2 Å²	125.2	72%	0.722	65%	0.648	S	S	*	*	H	α-helix	trans	-73.4	-21.6	-177.7	-131.3	13	0	0	0	113.4	E32 N38	E32-N36 PolarHBondContact O-N 3.47Å; N36-N38 VanDerWaalsContact C-N 3.26Å; N36-N38 PolarHBondContact O-N 2.99Å
37	S	47.4	Very low	45.2	Very low	79 Å²	79	132.5 Å²	132.5	55%	0.552	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.6	-13.6	172.3	74.2	0	0	0	0	113.9	R33 K34 Q35	R33-S37 PolarHBondContact O-N 3.04Å; K34-S37 PolarHBondContact O-OG 3.06Å; Q35-S37 VanDerWaalsContact C-N 3.31Å; Q35-S37 PolarHBondContact O-N 2.97Å
38	N	46	Very low	43.7	Very low	113 Å²	113	136.3 Å²	136.3	60%	0.604	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.1	-1	-173.1	-68.6	-11.5	0	0	0	113.8	K34 Q35 N36	K34-N38 VanDerWaalsContact O-CG 3.29Å; K34-N38 PolarHBondContact O-ND2 3.31Å; K34-N38 VanDerWaalsContact O-ND2 3.15Å; Q35-N38 PolarHBondContact O-N 3.37Å; Q35-N38 VanDerWaalsContact O-N 3.17Å; N36-N38 VanDerWaalsContact C-N 3.26Å; N36-N38 PolarHBondContact O-N 2.99Å
39	N	38	Very low	42.3	Very low	141 Å²	141	139.4 Å²	139.4	75%	0.754	70%	0.697	S	S	*	*	S	Bend	trans	-97	3.5	179.5	-87.4	0.6	0	0	0	114.7
40	H	39	Very low	41.4	Very low	159 Å²	159	138.6 Å²	138.6	74%	0.736	70%	0.695	S	S	*	*	S	Bend	trans	-94.2	111.3	170	-122.2	-52	0	0	0	110.4
41	D	42	Very low	40.7	Very low	117 Å²	117	136.5 Å²	136.5	63%	0.626	69%	0.689	S	S	*	*			trans	63.5	80.5	159.7	-61.5	-43.7	0	0	0	116.3	T43	D41-T43 PolarHBondContact O-N 3.48Å
42	I	40.8	Very low	40.1	Very low	169 Å²	169	136.3 Å²	136.3	87%	0.867	70%	0.695	S	S	*	*			trans	-65.5	74.7	152.3	-51	172.3	0	0	0	107.6
43	T	34.7	Very low	40	Very low	108 Å²	108	133.8 Å²	133.8	66%	0.663	69%	0.692	S	S	*	*			trans	-124.1	70.7	173	-23.7	0	0	0	0	109.4	D41 E45	D41-T43 PolarHBondContact O-N 3.48Å; T43-E45 PolarHBondContact O-N 3.19Å
44	N	36.9	Very low	39.9	Very low	163 Å²	163	126.1 Å²	126.1	87%	0.872	67%	0.669	S	S	*	*			trans	49.7	33.2	131.2	-122.1	16.3	0	0	0	120.9
45	E	34.8	Very low	39.3	Very low	162 Å²	162	122.9 Å²	122.9	76%	0.757	66%	0.659	S	S	*	*			trans	-119.7	105.4	151.1	-95.8	-171	161.9	0	0	109.4	T43 R47	T43-E45 PolarHBondContact O-N 3.19Å; E45-R47 PolarHBondContact O-N 3Å
46	S	37.3	Very low	39	Very low	115 Å²	115	120.3 Å²	120.3	80%	0.804	65%	0.65	S	S	*	*			trans	-63.3	60.4	165.8	58.8	0	0	0	0	110.4	I48	S46-I48 PolarHBondContact O-N 3.17Å
47	R	30.3	Very low	39.1	Very low	215 Å²	215	118.2 Å²	118.2	81%	0.811	64%	0.636	S	S	*	*			trans	-79.2	87.5	168.2	-153	174.8	-165.4	166.7	4.4	105.5	E45 Q49	E45-R47 PolarHBondContact O-N 3Å; R47-Q49 VanDerWaalsContact C-N 3.31Å; R47-Q49 PolarHBondContact O-N 2.75Å
48	I	35.3	Very low	38.8	Very low	142 Å²	142	120.1 Å²	120.1	73%	0.728	64%	0.637	S	S	*	*			trans	-40	96.7	173.2	-53.1	171.5	0	0	0	107.5	S46 V50	S46-I48 PolarHBondContact O-N 3.17Å; I48-V50 HydrophobicContact CB-CG2 4.31Å; I48-V50 HydrophobicContact CG2-CG2 3.46Å; I48-V50 VanDerWaalsContact CG2-CG2 3.46Å; I48-V50 PolarHBondContact O-N 2.86Å
49	Q	33.1	Very low	38.4	Very low	190 Å²	190	119.6 Å²	119.6	89%	0.888	63%	0.632	S	S	*	*			trans	-69.8	79.9	165.7	-86.7	-173.6	-4.3	0	0	105.5	R47 S51	R47-Q49 VanDerWaalsContact C-N 3.31Å; R47-Q49 PolarHBondContact O-N 2.75Å; Q49-S51 VanDerWaalsContact C-N 3.25Å; Q49-S51 PolarHBondContact O-N 2.79Å
50	V	36.2	Very low	38.9	Very low	69 Å²	69	117 Å²	117	42%	0.418	62%	0.619	S	S	.	*			trans	-62.5	99.5	165.3	-173.7	0	0	0	0	104.4	I48 S52 S54 L55	I48-V50 HydrophobicContact CB-CG2 4.31Å; I48-V50 HydrophobicContact CG2-CG2 3.46Å; I48-V50 VanDerWaalsContact CG2-CG2 3.46Å; I48-V50 PolarHBondContact O-N 2.86Å; V50-S52 PolarHBondContact O-N 3.13Å; V50-S54 WeakPolarHBondContact CG1-OG 3.15Å; V50-L55 HydrophobicContact CB-CD1 4.43Å; V50-L55 HydrophobicContact CG1-CB 3.84Å; V50-L55 HydrophobicContact CG1-CD1 4.1Å
51	S	41.9	Very low	39.3	Very low	59 Å²	59	113.2 Å²	113.2	41%	0.413	60%	0.601	S	S	.	*			trans	-45.1	129.8	176.5	61	0	0	0	0	108.5	Q49 S53 S54 L55	Q49-S51 VanDerWaalsContact C-N 3.25Å; Q49-S51 PolarHBondContact O-N 2.79Å; S51-S53 CarbonylContact O-C 3.32Å; S51-S53 PolarHBondContact O-N 3.22Å; S51-S53 PolarHBondContact OG-OG 3.31Å; S51-S54 PolarHBondContact N-OG 2.98Å; S51-S54 WeakPolarHBondContact O-CA 3.36Å; S51-S54 PolarHBondContact O-N 3.2Å; S51-S54 PolarHBondContact O-OG 2.82Å; S51-S54 VanDerWaalsContact OG-CB 3.31Å; S51-S54 WeakPolarHBondContact OG-CB 3.43Å; S51-S54 PolarHBondContact OG-N 3.05Å; S51-S54 PolarHBondContact OG-OG 3.06Å; S51-L55 PolarHBondContact O-N 3.03Å
52	S	38.6	Very low	39.5	Very low	94 Å²	94	111.8 Å²	111.8	66%	0.657	59%	0.594	S	S	*	*	H	α-helix	trans	-53.5	-27.3	-177.1	52.5	0	0	0	0	112.2	V50 N56	V50-S52 PolarHBondContact O-N 3.13Å; S52-N56 VanDerWaalsContact O-CB 3.26Å; S52-N56 WeakPolarHBondContact O-CB 3.2Å; S52-N56 PolarHBondContact O-N 3.05Å; S52-N56 PolarHBondContact O-ND2 2.86Å
53	S	45.4	Very low	39.8	Very low	79 Å²	79	108.2 Å²	108.2	55%	0.552	58%	0.576	S	S	*	*	H	α-helix	trans	-61.9	-48.9	169.2	53.1	0	0	0	0	113.1	S51 Q57	S51-S53 CarbonylContact O-C 3.32Å; S51-S53 PolarHBondContact O-N 3.22Å; S51-S53 PolarHBondContact OG-OG 3.31Å; S53-Q57 WeakPolarHBondContact O-CB 3.31Å; S53-Q57 PolarHBondContact O-N 2.67Å
54	S	44.5	Very low	40.3	Very low	42 Å²	42	104.4 Å²	104.4	29%	0.294	55%	0.55	S	S	.	*	H	α-helix	trans	-65.8	-37.4	177.5	62	0	0	0	0	112.3	V50 S51 Q57 M58	V50-S54 WeakPolarHBondContact CG1-OG 3.15Å; S51-S54 PolarHBondContact N-OG 2.98Å; S51-S54 WeakPolarHBondContact O-CA 3.36Å; S51-S54 PolarHBondContact O-N 3.2Å; S51-S54 PolarHBondContact O-OG 2.82Å; S51-S54 VanDerWaalsContact OG-CB 3.31Å; S51-S54 WeakPolarHBondContact OG-CB 3.43Å; S51-S54 PolarHBondContact OG-N 3.05Å; S51-S54 PolarHBondContact OG-OG 3.06Å; S54-Q57 PolarHBondContact O-N 3.42Å; S54-M58 WeakPolarHBondContact O-CB 3.3Å; S54-M58 PolarHBondContact O-N 3.19Å
55	L	35.1	Very low	40.8	Very low	80 Å²	80	101 Å²	101	42%	0.419	53%	0.53	S	S	.	.	H	α-helix	trans	-70.1	-46.2	177.8	-166.2	131.4	0	0	0	111.7	V50 S51 Q57 M58 M59	V50-L55 HydrophobicContact CB-CD1 4.43Å; V50-L55 HydrophobicContact CG1-CB 3.84Å; V50-L55 HydrophobicContact CG1-CD1 4.1Å; S51-L55 PolarHBondContact O-N 3.03Å; L55-Q57 PolarHBondContact O-N 2.85Å; L55-M58 PolarHBondContact O-N 2.78Å; L55-M59 HydrophobicContact CD2-CG 4.21Å; L55-M59 HydrophobicContact CD2-SD 3.65Å; L55-M59 WeakPolarHBondContact O-CB 3.35Å; L55-M59 WeakPolarHBondContact O-CG 3.44Å; L55-M59 PolarHBondContact O-N 3.39Å
56	N	40.7	Very low	41.3	Very low	95 Å²	95	102.1 Å²	102.1	51%	0.508	53%	0.528	S	S	.	.	H	α-helix	trans	-60	-37.7	173	-80.4	-22.5	0	0	0	111.5	S52 N60	S52-N56 VanDerWaalsContact O-CB 3.26Å; S52-N56 WeakPolarHBondContact O-CB 3.2Å; S52-N56 PolarHBondContact O-N 3.05Å; S52-N56 PolarHBondContact O-ND2 2.86Å; N56-N60 VanDerWaalsContact O-CB 3.28Å; N56-N60 WeakPolarHBondContact O-CB 3.26Å; N56-N60 PolarHBondContact O-N 3.29Å; N56-N60 PolarHBondContact O-ND2 3.1Å
57	Q	43.8	Very low	41.8	Very low	92 Å²	92	99.3 Å²	99.3	43%	0.43	50%	0.503	S	S	.	.	H	α-helix	trans	-65.5	-44.2	175.8	-173.1	174.9	2.8	0	0	111.6	S53 S54 L55 N60 Q61	S53-Q57 WeakPolarHBondContact O-CB 3.31Å; S53-Q57 PolarHBondContact O-N 2.67Å; S54-Q57 PolarHBondContact O-N 3.42Å; L55-Q57 PolarHBondContact O-N 2.85Å; Q57-N60 PolarHBondContact O-N 2.79Å; Q57-Q61 WeakPolarHBondContact O-CB 3.33Å; Q57-Q61 WeakPolarHBondContact O-CG 3.47Å; Q57-Q61 PolarHBondContact O-N 3.38Å
58	M	41.2	Very low	42.4	Very low	118 Å²	118	90.1 Å²	90.1	58%	0.581	47%	0.47	S	S	*	.	H	α-helix	trans	-67.9	-38.4	177.8	-154.7	176.1	-165.7	0	0	111.6	S54 L55 Q61 N62	S54-M58 WeakPolarHBondContact O-CB 3.3Å; S54-M58 PolarHBondContact O-N 3.19Å; L55-M58 PolarHBondContact O-N 2.78Å; M58-Q61 PolarHBondContact O-N 2.9Å; M58-N62 WeakPolarHBondContact O-CB 3.28Å; M58-N62 VanDerWaalsContact O-CG 3.29Å; M58-N62 PolarHBondContact O-N 2.92Å; M58-N62 PolarHBondContact O-ND2 3.47Å
59	M	37.3	Very low	43.1	Very low	102 Å²	102	86.3 Å²	86.3	50%	0.502	46%	0.456	S	S	.	.	H	α-helix	trans	-65.5	-42.5	173.4	-73.1	-172.8	80.1	0	0	111.9	L55 Q61 N62 L63	L55-M59 HydrophobicContact CD2-CG 4.21Å; L55-M59 HydrophobicContact CD2-SD 3.65Å; L55-M59 WeakPolarHBondContact O-CB 3.35Å; L55-M59 WeakPolarHBondContact O-CG 3.44Å; L55-M59 PolarHBondContact O-N 3.39Å; M59-Q61 VanDerWaalsContact C-N 3.32Å; M59-Q61 PolarHBondContact O-N 3.44Å; M59-N62 PolarHBondContact O-N 3.49Å; M59-L63 WeakPolarHBondContact O-CB 3.38Å; M59-L63 PolarHBondContact O-N 2.99Å
60	N	47.4	Very low	43.9	Very low	88 Å²	88	80.8 Å²	80.8	47%	0.471	43%	0.432	S	S	.	.	H	α-helix	trans	-66.2	-35.3	175.5	-76.4	-27	0	0	0	111.9	N56 Q57 F64	N56-N60 VanDerWaalsContact O-CB 3.28Å; N56-N60 WeakPolarHBondContact O-CB 3.26Å; N56-N60 PolarHBondContact O-N 3.29Å; N56-N60 PolarHBondContact O-ND2 3.1Å; Q57-N60 PolarHBondContact O-N 2.79Å; N60-F64 WeakPolarHBondContact O-CB 3.43Å; N60-F64 PolarHBondContact O-N 3.38Å
61	Q	48	Very low	44.3	Very low	78 Å²	78	77.6 Å²	77.6	36%	0.364	41%	0.413	S	S	.	.	H	α-helix	trans	-64	-47	170.2	-77.1	176.3	-16.9	0	0	111.1	Q57 M58 M59 L63 F64 M65	Q57-Q61 WeakPolarHBondContact O-CB 3.33Å; Q57-Q61 WeakPolarHBondContact O-CG 3.47Å; Q57-Q61 PolarHBondContact O-N 3.38Å; M58-Q61 PolarHBondContact O-N 2.9Å; M59-Q61 VanDerWaalsContact C-N 3.32Å; M59-Q61 PolarHBondContact O-N 3.44Å; Q61-L63 PolarHBondContact O-N 3.41Å; Q61-F64 CarbonylContact O-C 3.57Å; Q61-F64 WeakPolarHBondContact O-CB 3.28Å; Q61-F64 PolarHBondContact O-N 2.88Å; Q61-M65 WeakPolarHBondContact O-CG 3.49Å; Q61-M65 PolarHBondContact O-N 2.85Å
62	N	46.4	Very low	44.5	Very low	88 Å²	88	77.7 Å²	77.7	47%	0.471	41%	0.409	S	S	.	.	H	α-helix	trans	-64.1	-41	178.7	-75.7	-22.7	0	0	0	113	M58 M59 F64 M65 R66	M58-N62 WeakPolarHBondContact O-CB 3.28Å; M58-N62 VanDerWaalsContact O-CG 3.29Å; M58-N62 PolarHBondContact O-N 2.92Å; M58-N62 PolarHBondContact O-ND2 3.47Å; M59-N62 PolarHBondContact O-N 3.49Å; N62-F64 VanDerWaalsContact C-N 3.34Å; N62-M65 PolarHBondContact O-N 3.37Å; N62-R66 PolarHBondContact O-N 3.41Å
63	L	46.9	Very low	45	Very low	94 Å²	94	80.1 Å²	80.1	49%	0.492	41%	0.41	S	S	.	.	H	α-helix	trans	-61.4	-45.2	172.7	-87.7	159.6	0	0	0	110.7	M59 Q61 M65 R66 N67	M59-L63 WeakPolarHBondContact O-CB 3.38Å; M59-L63 PolarHBondContact O-N 2.99Å; Q61-L63 PolarHBondContact O-N 3.41Å; L63-M65 VanDerWaalsContact C-N 3.34Å; L63-M65 PolarHBondContact O-N 3.19Å; L63-R66 PolarHBondContact O-N 3.35Å; L63-N67 VanDerWaalsContact O-CB 3.25Å; L63-N67 WeakPolarHBondContact O-CB 3.41Å; L63-N67 PolarHBondContact O-N 3.36Å; L63-N67 PolarHBondContact O-ND2 3.2Å
64	F	44.5	Very low	45.1	Very low	27 Å²	27	79.4 Å²	79.4	12%	0.118	40%	0.395	C	S	.	.	H	α-helix	trans	-62.3	-41.2	174.5	-174	-103.9	0	0	0	112.1	N60 Q61 N62 N67 M68 I121 Q125 Y150	N60-F64 WeakPolarHBondContact O-CB 3.43Å; N60-F64 PolarHBondContact O-N 3.38Å; Q61-F64 CarbonylContact O-C 3.57Å; Q61-F64 WeakPolarHBondContact O-CB 3.28Å; Q61-F64 PolarHBondContact O-N 2.88Å; N62-F64 VanDerWaalsContact C-N 3.34Å; F64-N67 PolarHBondContact O-N 2.8Å; F64-M68 HydrophobicContact CE1-SD 3.89Å; F64-M68 HydrophobicContact CE2-SD 4.02Å; F64-M68 HydrophobicContact CZ-CE 4.36Å; F64-M68 HydrophobicContact CZ-SD 3.43Å; F64-M68 WeakPolarHBondContact CZ-SD 3.45Å; F64-M68 WeakPolarHBondContact O-CB 3.39Å; F64-M68 PolarHBondContact O-N 3.14Å; F64-I121 HydrophobicContact CE2-CG1 4.08Å; F64-I121 HydrophobicContact CZ-CG1 4.43Å; F64-Q125 VanDerWaalsContact CB-NE2 3.33Å; F64-Y150 HydrophobicContact CE1-CD1 4.25Å; F64-Y150 AromaticContact CE1-CE1 3.6Å; F64-Y150 HydrophobicContact CE1-CE1 3.6Å; F64-Y150 HydrophobicContact CE1-CE2 4.39Å; F64-Y150 AromaticContact CE1-CZ 3.68Å; F64-Y150 HydrophobicContact CZ-CE1 4.02Å; F64-Y150 HydrophobicContact CZ-CE2 4.25Å; F64-Y150 AromaticContact CZ-CZ 3.62Å; F64-Y150 VanDerWaalsContact CZ-OH 3.23Å; F64-Y150 WeakPolarHBondContact CZ-OH 3.36Å
65	M	47.8	Very low	44.9	Very low	92 Å²	92	79.7 Å²	79.7	45%	0.453	39%	0.393	S	S	.	.	H	α-helix	trans	-63.4	-47.6	177.7	-67.9	-141	75.5	0	0	112.1	Q61 N62 L63 N67 M68 S69 Q154	Q61-M65 WeakPolarHBondContact O-CG 3.49Å; Q61-M65 PolarHBondContact O-N 2.85Å; N62-M65 PolarHBondContact O-N 3.37Å; L63-M65 VanDerWaalsContact C-N 3.34Å; L63-M65 PolarHBondContact O-N 3.19Å; M65-N67 PolarHBondContact O-N 2.89Å; M65-M68 PolarHBondContact O-N 3.41Å; M65-S69 PolarHBondContact O-N 2.7Å; M65-S69 PolarHBondContact O-OG 3.21Å; M65-Q154 HydrophobicContact CE-CG 4.38Å
66	R	46.1	Very low	45.3	Very low	186 Å²	186	80.4 Å²	80.4	70%	0.702	41%	0.405	S	S	*	.	H	α-helix	trans	-60.6	-38	174.7	-77.1	-176.1	177.8	179.4	-0.1	111.6	N62 L63 S69 N70	N62-R66 PolarHBondContact O-N 3.41Å; L63-R66 PolarHBondContact O-N 3.35Å; R66-S69 PolarHBondContact O-OG 2.87Å; R66-N70 PolarHBondContact O-N 2.71Å; R66-N70 PolarHBondContact O-ND2 3.03Å
67	N	46.6	Very low	45.4	Very low	56 Å²	56	77.9 Å²	77.9	30%	0.299	40%	0.395	S	S	.	.	H	α-helix	trans	-68.8	-39.9	177.7	-76.2	-4.6	0	0	0	111.6	L63 F64 M65 N70 L71 L118	L63-N67 VanDerWaalsContact O-CB 3.25Å; L63-N67 WeakPolarHBondContact O-CB 3.41Å; L63-N67 PolarHBondContact O-N 3.36Å; L63-N67 PolarHBondContact O-ND2 3.2Å; F64-N67 PolarHBondContact O-N 2.8Å; M65-N67 PolarHBondContact O-N 2.89Å; N67-N70 PolarHBondContact O-N 3.35Å; N67-L71 WeakPolarHBondContact O-CB 3.44Å; N67-L71 PolarHBondContact O-N 3.49Å; N67-L118 VanDerWaalsContact CA-CD2 3.43Å; N67-L118 HydrophobicContact CB-CD2 3.29Å; N67-L118 WeakPolarHBondContact OD1-CD2 3.42Å
68	M	44.1	Very low	45.5	Very low	22 Å²	22	79.3 Å²	79.3	11%	0.108	41%	0.412	C	S	.	.	H	α-helix	trans	-70.8	-39.4	179.1	-142.9	82.2	-177.4	0	0	112.2	F64 M65 N70 L71 D72 V146 Y150	F64-M68 HydrophobicContact CE1-SD 3.89Å; F64-M68 HydrophobicContact CE2-SD 4.02Å; F64-M68 HydrophobicContact CZ-CE 4.36Å; F64-M68 HydrophobicContact CZ-SD 3.43Å; F64-M68 WeakPolarHBondContact CZ-SD 3.45Å; F64-M68 WeakPolarHBondContact O-CB 3.39Å; F64-M68 PolarHBondContact O-N 3.14Å; M65-M68 PolarHBondContact O-N 3.41Å; M68-N70 VanDerWaalsContact C-N 3.29Å; M68-N70 PolarHBondContact O-N 2.84Å; M68-L71 HydrophobicContact CE-CD2 4.23Å; M68-L71 CarbonylContact O-C 3.46Å; M68-L71 WeakPolarHBondContact O-CA 3.48Å; M68-L71 WeakPolarHBondContact O-CB 3.32Å; M68-L71 PolarHBondContact O-N 2.88Å; M68-L71 HydrophobicContact SD-CD2 4.23Å; M68-D72 PolarHBondContact O-N 2.72Å; M68-V146 HydrophobicContact CE-CG1 4.1Å; M68-Y150 HydrophobicContact CE-CD2 3.95Å; M68-Y150 HydrophobicContact CE-CE2 3.57Å; M68-Y150 HydrophobicContact SD-CE2 4.44Å
69	S	50.2	Low	45.2	Very low	62 Å²	62	77.8 Å²	77.8	43%	0.434	41%	0.406	S	S	.	.	H	α-helix	trans	-64.1	-36.9	175.3	61.1	0	0	0	0	112	M65 R66 L71 D72	M65-S69 PolarHBondContact O-N 2.7Å; M65-S69 PolarHBondContact O-OG 3.21Å; R66-S69 PolarHBondContact O-OG 2.87Å; S69-L71 VanDerWaalsContact C-N 3.31Å; S69-D72 PolarHBondContact O-N 3.44Å
70	N	49	Very low	45.1	Very low	73 Å²	73	73.8 Å²	73.8	39%	0.39	39%	0.387	S	S	.	.	H	α-helix	trans	-66.7	-39.1	171.2	-69.7	-16.4	0	0	0	110.4	R66 N67 M68 D72 Q73 Y74 L118	R66-N70 PolarHBondContact O-N 2.71Å; R66-N70 PolarHBondContact O-ND2 3.03Å; N67-N70 PolarHBondContact O-N 3.35Å; M68-N70 VanDerWaalsContact C-N 3.29Å; M68-N70 PolarHBondContact O-N 2.84Å; N70-D72 VanDerWaalsContact C-N 3.33Å; N70-D72 PolarHBondContact O-N 3.17Å; N70-Q73 WeakPolarHBondContact O-CB 3.42Å; N70-Q73 PolarHBondContact O-N 2.87Å; N70-Y74 WeakPolarHBondContact O-CD2 3.09Å; N70-Y74 PolarHBondContact O-N 3.03Å; N70-L118 HydrophobicContact CB-CD1 4.1Å
71	L	44.7	Very low	44.6	Very low	3 Å²	3	76.3 Å²	76.3	2%	0.016	39%	0.394	C	S	.	.	H	α-helix	trans	-65.3	-33.8	177.4	-166.2	68.2	0	0	0	112.1	N67 M68 S69 Q73 Y74 I75 I115 L118 T119	N67-L71 WeakPolarHBondContact O-CB 3.44Å; N67-L71 PolarHBondContact O-N 3.49Å; M68-L71 HydrophobicContact CE-CD2 4.23Å; M68-L71 CarbonylContact O-C 3.46Å; M68-L71 WeakPolarHBondContact O-CA 3.48Å; M68-L71 WeakPolarHBondContact O-CB 3.32Å; M68-L71 PolarHBondContact O-N 2.88Å; M68-L71 HydrophobicContact SD-CD2 4.23Å; S69-L71 VanDerWaalsContact C-N 3.31Å; L71-Q73 VanDerWaalsContact C-N 3.28Å; L71-Q73 PolarHBondContact O-N 3.09Å; L71-Y74 CarbonylContact O-C 3.47Å; L71-Y74 WeakPolarHBondContact O-CA 3.23Å; L71-Y74 WeakPolarHBondContact O-CB 3.49Å; L71-Y74 PolarHBondContact O-N 3.35Å; L71-I75 HydrophobicContact CD1-CD1 4.44Å; L71-I75 HydrophobicContact CD1-CG1 4.39Å; L71-I75 HydrophobicContact CD2-CD1 3.61Å; L71-I75 HydrophobicContact CD2-CG1 4.43Å; L71-I75 HydrophobicContact CG-CD1 3.52Å; L71-I75 HydrophobicContact CG-CG1 3.87Å; L71-I75 WeakPolarHBondContact O-CG1 3.3Å; L71-I75 PolarHBondContact O-N 2.98Å; L71-I115 HydrophobicContact CD1-CG2 4.02Å; L71-L118 HydrophobicContact CB-CB 4.49Å; L71-L118 HydrophobicContact CB-CD1 4.44Å; L71-L118 HydrophobicContact CD1-CB 4.03Å; L71-L118 HydrophobicContact CD1-CD1 4.35Å; L71-T119 HydrophobicContact CD1-CG2 3.61Å; L71-T119 HydrophobicContact CD2-CG2 3.63Å; L71-T119 HydrophobicContact CG-CG2 4.28Å
72	D	45.9	Very low	44.2	Very low	61 Å²	61	74.9 Å²	74.9	33%	0.326	39%	0.391	S	S	.	.	H	α-helix	trans	-58	-40.6	174.6	-81.9	-22.9	0	0	0	111.7	M68 S69 N70 Y74 I75 S76 M147	M68-D72 PolarHBondContact O-N 2.72Å; S69-D72 PolarHBondContact O-N 3.44Å; N70-D72 VanDerWaalsContact C-N 3.33Å; N70-D72 PolarHBondContact O-N 3.17Å; D72-Y74 PolarHBondContact O-N 3.32Å; D72-I75 PolarHBondContact O-N 3.41Å; D72-S76 WeakPolarHBondContact O-CB 3.39Å; D72-S76 PolarHBondContact O-N 3.01Å; D72-S76 PolarHBondContact O-OG 3.22Å; D72-M147 VanDerWaalsContact OD1-CE 3.29Å; D72-M147 WeakPolarHBondContact OD1-CE 3.4Å; D72-M147 VanDerWaalsContact OD2-CE 3.23Å; D72-M147 WeakPolarHBondContact OD2-CE 2.9Å
73	Q	49.9	Very low	43.6	Very low	145 Å²	145	78 Å²	78	68%	0.678	40%	0.396	S	S	*	.	H	α-helix	trans	-62.1	-30.8	174	-65	-176.6	-16.7	0	0	112.3	N70 L71 S76	N70-Q73 WeakPolarHBondContact O-CB 3.42Å; N70-Q73 PolarHBondContact O-N 2.87Å; L71-Q73 VanDerWaalsContact C-N 3.28Å; L71-Q73 PolarHBondContact O-N 3.09Å; Q73-S76 PolarHBondContact O-OG 3.35Å; Q73-S76 VanDerWaalsContact O-OG 3.09Å
74	Y	46.1	Very low	43.3	Very low	63 Å²	63	75.7 Å²	75.7	25%	0.247	38%	0.384	C	S	.	.	H	α-helix	trans	-85.2	-36.9	177	-68.2	-72.5	0	0	0	113	N70 L71 D72 S77 V80 N111 I115 L118	N70-Y74 WeakPolarHBondContact O-CD2 3.09Å; N70-Y74 PolarHBondContact O-N 3.03Å; L71-Y74 CarbonylContact O-C 3.47Å; L71-Y74 WeakPolarHBondContact O-CA 3.23Å; L71-Y74 WeakPolarHBondContact O-CB 3.49Å; L71-Y74 PolarHBondContact O-N 3.35Å; D72-Y74 PolarHBondContact O-N 3.32Å; Y74-S77 WeakPolarHBondContact O-CB 3.4Å; Y74-S77 PolarHBondContact O-N 2.79Å; Y74-V80 WeakPolarHBondContact O-CG2 3.15Å; Y74-N111 HydrophobicContact CE1-CB 4.4Å; Y74-I115 HydrophobicContact CD1-CD1 3.67Å; Y74-I115 HydrophobicContact CD1-CG1 3.89Å; Y74-I115 HydrophobicContact CD2-CG1 4.07Å; Y74-I115 HydrophobicContact CE1-CD1 4.26Å; Y74-I115 HydrophobicContact CE1-CG1 4.35Å; Y74-I115 HydrophobicContact CG-CD1 3.94Å; Y74-I115 HydrophobicContact CG-CG1 3.74Å; Y74-L118 HydrophobicContact CD2-CD1 4.26Å; Y74-L118 HydrophobicContact CE2-CD1 4.28Å
75	I	41.4	Very low	42.8	Very low	49 Å²	49	81.4 Å²	81.4	25%	0.251	41%	0.411	S	S	.	.	H	α-helix	trans	-74.2	-30.9	-179.9	-68.6	171.3	0	0	0	111.1	L71 D72 S77 V80	L71-I75 HydrophobicContact CD1-CD1 4.44Å; L71-I75 HydrophobicContact CD1-CG1 4.39Å; L71-I75 HydrophobicContact CD2-CD1 3.61Å; L71-I75 HydrophobicContact CD2-CG1 4.43Å; L71-I75 HydrophobicContact CG-CD1 3.52Å; L71-I75 HydrophobicContact CG-CG1 3.87Å; L71-I75 WeakPolarHBondContact O-CG1 3.3Å; L71-I75 PolarHBondContact O-N 2.98Å; D72-I75 PolarHBondContact O-N 3.41Å; I75-S77 PolarHBondContact O-N 3.44Å; I75-S77 VanDerWaalsContact O-O 3.06Å; I75-V80 HydrophobicContact CB-CG1 4.45Å; I75-V80 HydrophobicContact CG1-CG1 3.94Å
76	S	43.6	Very low	42.2	Very low	94 Å²	94	81.1 Å²	81.1	66%	0.657	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-9	170.7	55.7	0	0	0	0	113	D72 Q73	D72-S76 WeakPolarHBondContact O-CB 3.39Å; D72-S76 PolarHBondContact O-N 3.01Å; D72-S76 PolarHBondContact O-OG 3.22Å; Q73-S76 PolarHBondContact O-OG 3.35Å; Q73-S76 VanDerWaalsContact O-OG 3.09Å
77	S	42.9	Very low	41.5	Very low	43 Å²	43	77.5 Å²	77.5	30%	0.301	40%	0.402	S	S	.	.	S	Bend	trans	-67.6	126.6	166.8	-169.3	0	0	0	0	110	Y74 I75 N79 V80	Y74-S77 WeakPolarHBondContact O-CB 3.4Å; Y74-S77 PolarHBondContact O-N 2.79Å; I75-S77 PolarHBondContact O-N 3.44Å; I75-S77 VanDerWaalsContact O-O 3.06Å; S77-N79 PolarHBondContact O-N 3.35Å; S77-V80 PolarHBondContact O-N 3.28Å; S77-V80 VanDerWaalsContact O-N 3.1Å
78	P	44.7	Very low	40.8	Very low	122 Å²	122	83.3 Å²	83.3	79%	0.792	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-10.2	-175	21.7	-32.9	0	0	0	114.5
79	N	36.3	Very low	40.2	Very low	86 Å²	86	89.4 Å²	89.4	46%	0.46	46%	0.458	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	2.2	-177.4	-69.9	-24.3	0	0	0	115.1	S77 K102	S77-N79 PolarHBondContact O-N 3.35Å; N79-K102 PolarHBondContact O-N 2.9Å
80	V	34.7	Very low	39.2	Very low	17 Å²	17	93.6 Å²	93.6	10%	0.103	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	105.3	-179.9	-177.6	0	0	0	0	110.9	Y74 I75 S77 V101	Y74-V80 WeakPolarHBondContact O-CG2 3.15Å; I75-V80 HydrophobicContact CB-CG1 4.45Å; I75-V80 HydrophobicContact CG1-CG1 3.94Å; S77-V80 PolarHBondContact O-N 3.28Å; S77-V80 VanDerWaalsContact O-N 3.1Å; V80-V101 HydrophobicContact CB-CG2 4.33Å; V80-V101 HydrophobicContact CG1-CG2 3.85Å; V80-V101 HydrophobicContact CG2-CB 4.39Å; V80-V101 HydrophobicContact CG2-CG1 4.47Å; V80-V101 HydrophobicContact CG2-CG2 3.69Å
81	K	37	Very low	38.3	Very low	141 Å²	141	95 Å²	95	61%	0.613	48%	0.482	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.5	106	169	-72.4	-179.1	-177.7	178.1	0	109.8	H100	K81-H100 HydrophobicContact CB-CB 4.3Å; K81-H100 PolarHBondContact N-O 2.91Å; K81-H100 PolarHBondContact O-N 3.38Å; K81-H100 VanDerWaalsContact O-N 3.09Å
82	T	38.5	Very low	37.6	Very low	48 Å²	48	103.2 Å²	103.2	29%	0.294	52%	0.517	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	118.1	172	-56.6	0	0	0	0	110.1	I97 D99 V146	T82-I97 HydrophobicContact CG2-CG2 3.88Å; T82-D99 PolarHBondContact OG1-OD1 2.76Å; T82-V146 HydrophobicContact CG2-CG2 4Å
83	R	34	Very low	37	Very low	155 Å²	155	106.3 Å²	106.3	59%	0.585	53%	0.526	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.4	124	173.7	-72.3	-177.3	175.1	-177.5	-3.2	110.5
84	L	41.1	Very low	36	Very low	45 Å²	45	106 Å²	106	24%	0.236	52%	0.522	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	109	175.6	-165	72.5	0	0	0	108.9	F86 C95 I97 I129	L84-F86 HydrophobicContact CD2-CD2 4.46Å; L84-F86 HydrophobicContact CD2-CE1 4.27Å; L84-F86 HydrophobicContact CD2-CE2 3.38Å; L84-F86 HydrophobicContact CD2-CZ 3.26Å; L84-F86 HydrophobicContact CG-CD2 4.47Å; L84-F86 HydrophobicContact CG-CE2 3.8Å; L84-F86 HydrophobicContact CG-CZ 3.86Å; L84-C95 VanDerWaalsContact CD1-SG 3.52Å; L84-I97 HydrophobicContact CD1-CG1 4.46Å; L84-I129 HydrophobicContact CD2-CG2 3.95Å
85	H	34.6	Very low	35.5	Very low	146 Å²	146	104.7 Å²	104.7	68%	0.676	52%	0.521	S	S	*	.			trans	-102.6	113.6	-178.9	-150.5	-88.3	0	0	0	111
86	F	34.8	Very low	35.1	Very low	86 Å²	86	107.3 Å²	107.3	38%	0.377	53%	0.531	S	S	.	.			trans	-94.1	110	175.3	-66.1	-78.8	0	0	0	109.9	L84 H130 V133	L84-F86 HydrophobicContact CD2-CD2 4.46Å; L84-F86 HydrophobicContact CD2-CE1 4.27Å; L84-F86 HydrophobicContact CD2-CE2 3.38Å; L84-F86 HydrophobicContact CD2-CZ 3.26Å; L84-F86 HydrophobicContact CG-CD2 4.47Å; L84-F86 HydrophobicContact CG-CE2 3.8Å; L84-F86 HydrophobicContact CG-CZ 3.86Å; F86-H130 HydrophobicContact CE1-CB 4.27Å; F86-H130 AromaticContact CE1-CD2 3.79Å; F86-V133 HydrophobicContact CE2-CG1 4.3Å; F86-V133 HydrophobicContact CZ-CG1 4.44Å
87	N	31.9	Very low	34.9	Very low	110 Å²	110	103.9 Å²	103.9	59%	0.588	51%	0.505	S	S	*	.			trans	-90.2	104.5	173.6	-161.8	-1.1	0	0	0	109.9	I89	N87-I89 VanDerWaalsContact C-N 3.28Å; N87-I89 PolarHBondContact O-N 2.92Å
88	Q	31.4	Very low	34.3	Very low	179 Å²	179	110 Å²	110	84%	0.836	52%	0.522	S	S	*	.			trans	-72.3	-17.7	-178.9	-72.1	-179.3	-2.2	0	0	113.6
89	I	31	Very low	33.9	Very low	149 Å²	149	105.7 Å²	105.7	76%	0.764	49%	0.492	S	S	*	.	S	Bend	trans	-84.2	-21.6	-165.2	-58.5	175.2	0	0	0	113.1	N87	N87-I89 VanDerWaalsContact C-N 3.28Å; N87-I89 PolarHBondContact O-N 2.92Å
90	K	30.4	Very low	33.7	Very low	151 Å²	151	105.7 Å²	105.7	66%	0.657	49%	0.489	S	S	*	.	S	Bend	trans	-135.6	116.7	172.4	-74.3	-176.4	178.4	178	0	108.4	K92	K90-K92 PolarHBondContact O-N 3.13Å
91	P	30.5	Very low	33.6	Very low	102 Å²	102	105.7 Å²	105.7	66%	0.662	49%	0.489	S	S	*	.			trans	-71.9	27.5	-179	30.7	-34.6	0	0	0	113.4	Y93	P91-Y93 HydrophobicContact CB-CE2 4.01Å; P91-Y93 WeakPolarHBondContact O-CD2 3.43Å; P91-Y93 WeakPolarHBondContact O-CE2 3.21Å; P91-Y93 PolarHBondContact O-N 2.96Å; P91-Y93 VanDerWaalsContact O-N 3.08Å
92	K	28.6	Very low	33.4	Very low	175 Å²	175	106.9 Å²	106.9	76%	0.761	49%	0.494	S	S	*	.			trans	-77.7	84.2	157.8	-70.3	-170.1	178.9	-176	0	106.3	K90 K94	K90-K92 PolarHBondContact O-N 3.13Å; K92-K94 PolarHBondContact O-N 2.88Å
93	Y	33.1	Very low	33.1	Very low	127 Å²	127	106.6 Å²	106.6	50%	0.498	49%	0.49	S	S	.	.			trans	-59.1	80	178.1	-59.5	-88.3	0	0	0	110.7	P91 C95	P91-Y93 HydrophobicContact CB-CE2 4.01Å; P91-Y93 WeakPolarHBondContact O-CD2 3.43Å; P91-Y93 WeakPolarHBondContact O-CE2 3.21Å; P91-Y93 PolarHBondContact O-N 2.96Å; P91-Y93 VanDerWaalsContact O-N 3.08Å; Y93-C95 PolarHBondContact O-N 3.38Å
94	K	30.2	Very low	33.1	Very low	139 Å²	139	103 Å²	103	60%	0.604	49%	0.487	S	S	*	.			trans	-90	97.2	168.2	-67	-165.3	-179.3	-175.6	0	107.1	K92 F96	K92-K94 PolarHBondContact O-N 2.88Å; K94-F96 VanDerWaalsContact C-N 3.26Å; K94-F96 HydrophobicContact CB-CD2 3.65Å; K94-F96 HydrophobicContact CB-CE2 3.22Å; K94-F96 HydrophobicContact CB-CZ 3.76Å; K94-F96 HydrophobicContact CD-CE1 4.35Å; K94-F96 HydrophobicContact CD-CE2 3.53Å; K94-F96 HydrophobicContact CD-CZ 3.33Å; K94-F96 HydrophobicContact CG-CE2 4.01Å; K94-F96 HydrophobicContact CG-CZ 4.17Å; K94-F96 WeakPolarHBondContact O-CD2 3.2Å; K94-F96 PolarHBondContact O-N 3.38Å
95	C	34.1	Very low	33	Very low	34 Å²	34	107.1 Å²	107.1	23%	0.23	51%	0.509	C	S	.	.			trans	-66.5	92	166	-157	0	0	0	0	107.6	L84 Y93 I97 C126	L84-C95 VanDerWaalsContact CD1-SG 3.52Å; Y93-C95 PolarHBondContact O-N 3.38Å; C95-I97 PolarHBondContact O-N 3.27Å; C95-C126 HydrophobicContact CB-CB 3.67Å; C95-C126 WeakPolarHBondContact CB-SG 3.43Å
96	F	34.8	Very low	33.4	Very low	105 Å²	105	107.7 Å²	107.7	46%	0.461	52%	0.517	S	S	.	.			trans	-89.7	101.6	166.9	-64.5	-76.6	0	0	0	106.7	K94 R98	K94-F96 VanDerWaalsContact C-N 3.26Å; K94-F96 HydrophobicContact CB-CD2 3.65Å; K94-F96 HydrophobicContact CB-CE2 3.22Å; K94-F96 HydrophobicContact CB-CZ 3.76Å; K94-F96 HydrophobicContact CD-CE1 4.35Å; K94-F96 HydrophobicContact CD-CE2 3.53Å; K94-F96 HydrophobicContact CD-CZ 3.33Å; K94-F96 HydrophobicContact CG-CE2 4.01Å; K94-F96 HydrophobicContact CG-CZ 4.17Å; K94-F96 WeakPolarHBondContact O-CD2 3.2Å; K94-F96 PolarHBondContact O-N 3.38Å; F96-R98 HydrophobicContact CB-CG 4.14Å; F96-R98 PolarHBondContact O-N 3.28Å
97	I	37.6	Very low	33.7	Very low	22 Å²	22	110.6 Å²	110.6	11%	0.113	53%	0.532	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	88.9	148.1	-66.2	-173.5	0	0	0	104.1	T82 L84 C95 D99 T119 I121	T82-I97 HydrophobicContact CG2-CG2 3.88Å; L84-I97 HydrophobicContact CD1-CG1 4.46Å; C95-I97 PolarHBondContact O-N 3.27Å; I97-D99 HydrophobicContact CG2-CB 4.4Å; I97-D99 WeakPolarHBondContact CG2-OD1 3.33Å; I97-D99 PolarHBondContact O-N 3.49Å; I97-T119 HydrophobicContact CG2-CG2 4.33Å; I97-I121 HydrophobicContact CD1-CD1 3.17Å; I97-I121 HydrophobicContact CD1-CG1 3.77Å; I97-I121 HydrophobicContact CG1-CD1 4.12Å
98	R	31.9	Very low	34.3	Very low	171 Å²	171	107.2 Å²	107.2	65%	0.645	52%	0.522	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.9	86.2	162	-77.2	-169.3	-176.6	-177.9	-0.2	104.8	F96 H100	F96-R98 HydrophobicContact CB-CG 4.14Å; F96-R98 PolarHBondContact O-N 3.28Å; R98-H100 VanDerWaalsContact C-N 3.31Å; R98-H100 PolarHBondContact O-N 3.29Å
99	D	36.3	Very low	35.3	Very low	31 Å²	31	105 Å²	105	17%	0.166	52%	0.517	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	106.2	158.3	-87.3	-7.9	0	0	0	106.1	T82 I97 V101 T119	T82-D99 PolarHBondContact OG1-OD1 2.76Å; I97-D99 HydrophobicContact CG2-CB 4.4Å; I97-D99 WeakPolarHBondContact CG2-OD1 3.33Å; I97-D99 PolarHBondContact O-N 3.49Å; D99-V101 HydrophobicContact CB-CB 4.45Å; D99-V101 HydrophobicContact CB-CG2 3.59Å; D99-V101 PolarHBondContact O-N 2.96Å; D99-T119 WeakPolarHBondContact OD2-CG2 3.37Å
100	H	31.4	Very low	36.4	Very low	86 Å²	86	105.2 Å²	105.2	40%	0.398	51%	0.514	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	65.3	156.6	-66.9	-79.8	0	0	0	106.4	K81 R98 K102	K81-H100 HydrophobicContact CB-CB 4.3Å; K81-H100 PolarHBondContact N-O 2.91Å; K81-H100 PolarHBondContact O-N 3.38Å; K81-H100 VanDerWaalsContact O-N 3.09Å; R98-H100 VanDerWaalsContact C-N 3.31Å; R98-H100 PolarHBondContact O-N 3.29Å; H100-K102 PolarHBondContact O-N 3.21Å
101	V	33	Very low	37.4	Very low	17 Å²	17	101.4 Å²	101.4	10%	0.103	50%	0.501	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	87.4	160.4	172.7	0	0	0	0	103.4	V80 D99 I103 I115	V80-V101 HydrophobicContact CB-CG2 4.33Å; V80-V101 HydrophobicContact CG1-CG2 3.85Å; V80-V101 HydrophobicContact CG2-CB 4.39Å; V80-V101 HydrophobicContact CG2-CG1 4.47Å; V80-V101 HydrophobicContact CG2-CG2 3.69Å; D99-V101 HydrophobicContact CB-CB 4.45Å; D99-V101 HydrophobicContact CB-CG2 3.59Å; D99-V101 PolarHBondContact O-N 2.96Å; V101-I103 HydrophobicContact CG1-CB 3.58Å; V101-I103 HydrophobicContact CG1-CD1 3.24Å; V101-I103 HydrophobicContact CG1-CG1 3.26Å; V101-I103 PolarHBondContact O-N 3.5Å; V101-I115 HydrophobicContact CG1-CD1 4.36Å; V101-I115 HydrophobicContact CG2-CG2 3.87Å
102	K	32.7	Very low	38.2	Very low	166 Å²	166	99.4 Å²	99.4	72%	0.722	48%	0.483	S	S	*	.			trans	-72.5	54.3	163.8	-77	-169.8	176.7	-172.1	0	108.2	N79 H100	N79-K102 PolarHBondContact O-N 2.9Å; H100-K102 PolarHBondContact O-N 3.21Å
103	I	32.5	Very low	39.4	Very low	42 Å²	42	99.7 Å²	99.7	22%	0.215	48%	0.479	C	S	.	.			trans	-84.3	118.8	163.3	-67.7	171.8	0	0	0	104.4	V101 L105 I115	V101-I103 HydrophobicContact CG1-CB 3.58Å; V101-I103 HydrophobicContact CG1-CD1 3.24Å; V101-I103 HydrophobicContact CG1-CG1 3.26Å; V101-I103 PolarHBondContact O-N 3.5Å; I103-L105 PolarHBondContact O-N 2.83Å; I103-I115 HydrophobicContact CD1-CD1 3.88Å
104	P	32.3	Very low	40.3	Very low	79 Å²	79	99 Å²	99	51%	0.513	48%	0.478	S	S	.	.			trans	-54.7	130.1	176.4	21.1	-29.8	0	0	0	108.7	N106 Q107	P104-N106 PolarHBondContact O-N 3.24Å; P104-Q107 PolarHBondContact O-N 3.49Å
105	L	39.9	Very low	41.2	Very low	132 Å²	132	92.6 Å²	92.6	69%	0.691	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	-16.8	-177.7	-70	163.7	0	0	0	113.4	I103 Q107	I103-L105 PolarHBondContact O-N 2.83Å; L105-Q107 VanDerWaalsContact C-N 3.35Å
106	N	43.7	Very low	41.9	Very low	159 Å²	159	94.4 Å²	94.4	85%	0.85	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-11.3	179	-66.4	0.4	0	0	0	114.4	P104	P104-N106 PolarHBondContact O-N 3.24Å
107	Q	41.4	Very low	42.7	Very low	147 Å²	147	92.9 Å²	92.9	69%	0.687	45%	0.454	S	S	*	.	S	Bend	trans	-109.4	86.5	175.8	-83.2	-176.1	-12	0	0	111.1	P104 L105	P104-Q107 PolarHBondContact O-N 3.49Å; L105-Q107 VanDerWaalsContact C-N 3.35Å
108	G	44.1	Very low	43.2	Very low	38 Å²	38	92.8 Å²	92.8	39%	0.392	45%	0.454	S	S	.	.			trans	81.2	81.5	158.7	0	0	0	0	0	114.8	Q110 N111 H112	G108-Q110 PolarHBondContact O-N 3.46Å; G108-N111 PolarHBondContact O-N 3Å; G108-H112 PolarHBondContact O-N 2.97Å
109	D	51.9	Low	43.9	Very low	134 Å²	134	85.4 Å²	85.4	72%	0.717	43%	0.428	S	S	*	.	H	α-helix	trans	-45.1	-34.9	170	-117.7	-12.6	0	0	0	113.2	R113	D109-R113 PolarHBondContact O-N 3.26Å
110	Q	54.4	Low	44.3	Very low	153 Å²	153	92.7 Å²	92.7	72%	0.715	45%	0.453	S	S	*	.	H	α-helix	trans	-68.8	-37.6	178.8	-66.6	-168.2	-7	0	0	113.6	G108 K114	G108-Q110 PolarHBondContact O-N 3.46Å; Q110-K114 WeakPolarHBondContact O-CG 3.41Å; Q110-K114 PolarHBondContact O-N 3.11Å
111	N	50.9	Low	45.4	Very low	71 Å²	71	89.6 Å²	89.6	38%	0.38	44%	0.439	S	S	.	.	H	α-helix	trans	-73.8	-36.7	-179.5	-73.3	-21.1	0	0	0	110.6	Y74 G108 K114 I115	Y74-N111 HydrophobicContact CE1-CB 4.4Å; G108-N111 PolarHBondContact O-N 3Å; N111-K114 PolarHBondContact O-N 3.46Å; N111-I115 VanDerWaalsContact O-CG1 3.26Å; N111-I115 WeakPolarHBondContact O-CG1 3.25Å; N111-I115 PolarHBondContact O-N 3.27Å
112	H	47.6	Very low	46.1	Very low	59 Å²	59	92 Å²	92	27%	0.273	45%	0.451	S	S	.	.	H	α-helix	trans	-62.8	-46.4	177.8	-159.7	91.7	0	0	0	111.5	G108 K114 I115 I116	G108-H112 PolarHBondContact O-N 2.97Å; H112-K114 PolarHBondContact O-N 3.05Å; H112-I115 PolarHBondContact O-N 3Å; H112-I116 VanDerWaalsContact CD2-CD1 3.41Å; H112-I116 WeakPolarHBondContact CD2-CD1 3.14Å; H112-I116 WeakPolarHBondContact O-CG1 3.44Å; H112-I116 PolarHBondContact O-N 2.91Å
113	R	53.6	Low	46.7	Very low	181 Å²	181	93 Å²	93	68%	0.683	45%	0.451	S	S	*	.	H	α-helix	trans	-62.6	-42.6	177.3	-168.2	173.1	-178.2	178.5	2.3	112	D109 I115 I116 D117	D109-R113 PolarHBondContact O-N 3.26Å; R113-I115 PolarHBondContact O-N 3.44Å; R113-I116 PolarHBondContact O-N 3.21Å; R113-D117 WeakPolarHBondContact O-CB 3.29Å; R113-D117 PolarHBondContact O-N 3.39Å
114	K	52.8	Low	47.6	Very low	113 Å²	113	96.5 Å²	96.5	49%	0.491	47%	0.47	S	S	.	.	H	α-helix	trans	-57.3	-50.5	173.6	-76.9	177.8	-178.2	177.3	0	111	Q110 N111 H112 I116 D117 L118	Q110-K114 WeakPolarHBondContact O-CG 3.41Å; Q110-K114 PolarHBondContact O-N 3.11Å; N111-K114 PolarHBondContact O-N 3.46Å; H112-K114 PolarHBondContact O-N 3.05Å; K114-I116 VanDerWaalsContact C-N 3.32Å; K114-I116 PolarHBondContact O-N 2.81Å; K114-D117 PolarHBondContact O-N 3.17Å; K114-D117 VanDerWaalsContact O-N 3.12Å; K114-L118 WeakPolarHBondContact O-CB 3.23Å; K114-L118 WeakPolarHBondContact O-CG 3.23Å; K114-L118 PolarHBondContact O-N 3.33Å
115	I	47.6	Very low	48.6	Very low	5 Å²	5	94.1 Å²	94.1	3%	0.026	45%	0.452	C	S	.	.	H	α-helix	trans	-59.3	-42.7	179.5	-65.2	163.4	0	0	0	111.5	L71 Y74 V101 I103 N111 H112 R113 D117 L118 T119	L71-I115 HydrophobicContact CD1-CG2 4.02Å; Y74-I115 HydrophobicContact CD1-CD1 3.67Å; Y74-I115 HydrophobicContact CD1-CG1 3.89Å; Y74-I115 HydrophobicContact CD2-CG1 4.07Å; Y74-I115 HydrophobicContact CE1-CD1 4.26Å; Y74-I115 HydrophobicContact CE1-CG1 4.35Å; Y74-I115 HydrophobicContact CG-CD1 3.94Å; Y74-I115 HydrophobicContact CG-CG1 3.74Å; V101-I115 HydrophobicContact CG1-CD1 4.36Å; V101-I115 HydrophobicContact CG2-CG2 3.87Å; I103-I115 HydrophobicContact CD1-CD1 3.88Å; N111-I115 VanDerWaalsContact O-CG1 3.26Å; N111-I115 WeakPolarHBondContact O-CG1 3.25Å; N111-I115 PolarHBondContact O-N 3.27Å; H112-I115 PolarHBondContact O-N 3Å; R113-I115 PolarHBondContact O-N 3.44Å; I115-D117 PolarHBondContact O-N 3.08Å; I115-L118 PolarHBondContact O-N 3.26Å; I115-T119 HydrophobicContact CG2-CG2 4.26Å; I115-T119 WeakPolarHBondContact O-CB 3.03Å; I115-T119 WeakPolarHBondContact O-CG2 3.42Å; I115-T119 PolarHBondContact O-N 2.96Å; I115-T119 PolarHBondContact O-OG1 3.26Å
116	I	49	Very low	49.1	Very low	71 Å²	71	88.3 Å²	88.3	36%	0.364	42%	0.422	S	S	.	.	H	α-helix	trans	-61.1	-45	175.4	-68.7	175	0	0	0	111.3	H112 R113 K114 L118 T119 R120	H112-I116 VanDerWaalsContact CD2-CD1 3.41Å; H112-I116 WeakPolarHBondContact CD2-CD1 3.14Å; H112-I116 WeakPolarHBondContact O-CG1 3.44Å; H112-I116 PolarHBondContact O-N 2.91Å; R113-I116 PolarHBondContact O-N 3.21Å; K114-I116 VanDerWaalsContact C-N 3.32Å; K114-I116 PolarHBondContact O-N 2.81Å; I116-L118 VanDerWaalsContact C-N 3.33Å; I116-T119 WeakPolarHBondContact CA-OG1 3.07Å; I116-T119 PolarHBondContact O-N 2.95Å; I116-T119 PolarHBondContact O-OG1 3.2Å; I116-T119 VanDerWaalsContact O-OG1 3.05Å; I116-R120 WeakPolarHBondContact O-CG 3.35Å; I116-R120 PolarHBondContact O-N 3.49Å
117	D	51.4	Low	49.5	Very low	74 Å²	74	84.4 Å²	84.4	40%	0.396	40%	0.401	S	S	.	.	H	α-helix	trans	-68.8	-34.2	-179.6	-72.7	-28.8	0	0	0	111.7	R113 K114 I115 T119 R120	R113-D117 WeakPolarHBondContact O-CB 3.29Å; R113-D117 PolarHBondContact O-N 3.39Å; K114-D117 PolarHBondContact O-N 3.17Å; K114-D117 VanDerWaalsContact O-N 3.12Å; I115-D117 PolarHBondContact O-N 3.08Å; D117-T119 VanDerWaalsContact C-N 3.34Å; D117-R120 IonicContact OD1-NH1 3.6Å
118	L	47.8	Very low	50.2	Low	19 Å²	19	79.7 Å²	79.7	10%	0.099	38%	0.38	C	S	.	.	H	α-helix	trans	-68.6	-32.2	173.6	-65.9	176.2	0	0	0	112.3	N67 N70 L71 Y74 K114 I115 I116	N67-L118 VanDerWaalsContact CA-CD2 3.43Å; N67-L118 HydrophobicContact CB-CD2 3.29Å; N67-L118 WeakPolarHBondContact OD1-CD2 3.42Å; N70-L118 HydrophobicContact CB-CD1 4.1Å; L71-L118 HydrophobicContact CB-CB 4.49Å; L71-L118 HydrophobicContact CB-CD1 4.44Å; L71-L118 HydrophobicContact CD1-CB 4.03Å; L71-L118 HydrophobicContact CD1-CD1 4.35Å; Y74-L118 HydrophobicContact CD2-CD1 4.26Å; Y74-L118 HydrophobicContact CE2-CD1 4.28Å; K114-L118 WeakPolarHBondContact O-CB 3.23Å; K114-L118 WeakPolarHBondContact O-CG 3.23Å; K114-L118 PolarHBondContact O-N 3.33Å; I115-L118 PolarHBondContact O-N 3.26Å; I116-L118 VanDerWaalsContact C-N 3.33Å
119	T	47.7	Very low	50.7	Low	17 Å²	17	78 Å²	78	10%	0.104	36%	0.362	C	S	.	.	H	α-helix	trans	-91.6	-6	-177.7	55.4	0	0	0	0	113.7	L71 I97 D99 I115 I116 D117 I121	L71-T119 HydrophobicContact CD1-CG2 3.61Å; L71-T119 HydrophobicContact CD2-CG2 3.63Å; L71-T119 HydrophobicContact CG-CG2 4.28Å; I97-T119 HydrophobicContact CG2-CG2 4.33Å; D99-T119 WeakPolarHBondContact OD2-CG2 3.37Å; I115-T119 HydrophobicContact CG2-CG2 4.26Å; I115-T119 WeakPolarHBondContact O-CB 3.03Å; I115-T119 WeakPolarHBondContact O-CG2 3.42Å; I115-T119 PolarHBondContact O-N 2.96Å; I115-T119 PolarHBondContact O-OG1 3.26Å; I116-T119 WeakPolarHBondContact CA-OG1 3.07Å; I116-T119 PolarHBondContact O-N 2.95Å; I116-T119 PolarHBondContact O-OG1 3.2Å; I116-T119 VanDerWaalsContact O-OG1 3.05Å; D117-T119 VanDerWaalsContact C-N 3.34Å; T119-I121 PolarHBondContact O-N 3.5Å
120	R	45.7	Very low	50.7	Low	183 Å²	183	73.3 Å²	73.3	69%	0.691	34%	0.336	S	S	*	.			trans	-70.2	83	168.9	-87.4	174.8	163.7	-177.1	-5.3	110.3	I116 D117	I116-R120 WeakPolarHBondContact O-CG 3.35Å; I116-R120 PolarHBondContact O-N 3.49Å; D117-R120 IonicContact OD1-NH1 3.6Å
121	I	52.5	Low	50.6	Low	22 Å²	22	69.9 Å²	69.9	11%	0.113	32%	0.322	C	S	.	.			trans	-68.4	132.4	168.5	-63.6	-172.4	0	0	0	109.2	F64 I97 T119 Q125 C126 I129 Y150	F64-I121 HydrophobicContact CE2-CG1 4.08Å; F64-I121 HydrophobicContact CZ-CG1 4.43Å; I97-I121 HydrophobicContact CD1-CD1 3.17Å; I97-I121 HydrophobicContact CD1-CG1 3.77Å; I97-I121 HydrophobicContact CG1-CD1 4.12Å; T119-I121 PolarHBondContact O-N 3.5Å; I121-Q125 HydrophobicContact CG2-CB 3.3Å; I121-Q125 HydrophobicContact CG2-CG 4.42Å; I121-C126 HydrophobicContact CG2-CB 4.47Å; I121-I129 HydrophobicContact CD1-CD1 3.8Å; I121-I129 HydrophobicContact CG2-CD1 4.41Å; I121-Y150 WeakPolarHBondContact CD1-OH 3.26Å
122	N	48.9	Very low	50.6	Low	67 Å²	67	67.5 Å²	67.5	36%	0.358	31%	0.309	S	S	.	.			trans	-74.8	168.3	176	71.9	27.9	0	0	0	111.7	D124 Q125 C126	N122-D124 VanDerWaalsContact C-N 3.29Å; N122-D124 PolarHBondContact O-N 2.55Å; N122-D124 PolarHBondContact OD1-N 3.11Å; N122-Q125 VanDerWaalsContact N-OE1 3.14Å; N122-Q125 PolarHBondContact O-N 3.43Å; N122-Q125 WeakPolarHBondContact OD1-CB 3.43Å; N122-Q125 WeakPolarHBondContact OD1-CG 3.25Å; N122-Q125 PolarHBondContact OD1-N 3.16Å; N122-C126 PolarHBondContact O-N 2.93Å
123	R	45.8	Very low	50.7	Low	188 Å²	188	66.2 Å²	66.2	71%	0.709	31%	0.305	S	S	*	.	H	α-helix	trans	-59.4	-38.4	-175.4	-174	179.2	178.1	-177.4	-2.6	112.9	C126 L127	R123-C126 WeakPolarHBondContact O-CB 3.41Å; R123-C126 PolarHBondContact O-N 2.89Å; R123-L127 PolarHBondContact O-N 2.73Å
124	D	50.2	Low	50.2	Low	114 Å²	114	64.5 Å²	64.5	61%	0.61	30%	0.299	S	S	*	.	H	α-helix	trans	-71.7	-40.2	-176.2	-59.8	-32.8	0	0	0	111.7	N122 L127 L128	N122-D124 VanDerWaalsContact C-N 3.29Å; N122-D124 PolarHBondContact O-N 2.55Å; N122-D124 PolarHBondContact OD1-N 3.11Å; D124-L127 WeakPolarHBondContact O-CB 3.33Å; D124-L127 PolarHBondContact O-N 3.45Å; D124-L127 VanDerWaalsContact O-N 3.13Å; D124-L128 PolarHBondContact O-N 2.81Å
125	Q	53	Low	50.1	Low	29 Å²	29	63.6 Å²	63.6	14%	0.136	31%	0.307	C	S	.	.	H	α-helix	trans	-64.3	-40.7	172.4	-71.3	166.4	-15.6	0	0	111.4	F64 I121 N122 L127 L128 I129	F64-Q125 VanDerWaalsContact CB-NE2 3.33Å; I121-Q125 HydrophobicContact CG2-CB 3.3Å; I121-Q125 HydrophobicContact CG2-CG 4.42Å; N122-Q125 VanDerWaalsContact N-OE1 3.14Å; N122-Q125 PolarHBondContact O-N 3.43Å; N122-Q125 WeakPolarHBondContact OD1-CB 3.43Å; N122-Q125 WeakPolarHBondContact OD1-CG 3.25Å; N122-Q125 PolarHBondContact OD1-N 3.16Å; Q125-L127 VanDerWaalsContact C-N 3.26Å; Q125-L127 PolarHBondContact O-N 2.77Å; Q125-L128 PolarHBondContact O-N 3.47Å; Q125-I129 VanDerWaalsContact O-CG1 3.3Å; Q125-I129 WeakPolarHBondContact O-CG1 3.33Å; Q125-I129 PolarHBondContact O-N 2.89Å
126	C	51.9	Low	50.1	Low	10 Å²	10	65.4 Å²	65.4	7%	0.068	31%	0.314	C	S	.	.	H	α-helix	trans	-57.9	-42	170.9	171.4	0	0	0	0	111.2	C95 I121 N122 R123 H130	C95-C126 HydrophobicContact CB-CB 3.67Å; C95-C126 WeakPolarHBondContact CB-SG 3.43Å; I121-C126 HydrophobicContact CG2-CB 4.47Å; N122-C126 PolarHBondContact O-N 2.93Å; R123-C126 WeakPolarHBondContact O-CB 3.41Å; R123-C126 PolarHBondContact O-N 2.89Å; C126-H130 VanDerWaalsContact O-CB 3.23Å; C126-H130 WeakPolarHBondContact O-CB 3.33Å; C126-H130 PolarHBondContact O-N 3.43Å
127	L	52.3	Low	49.8	Very low	78 Å²	78	70 Å²	70	41%	0.408	33%	0.332	S	S	.	.	H	α-helix	trans	-66.4	-39.9	-179.7	-155.4	86.8	0	0	0	111.4	R123 D124 Q125 H130 N131	R123-L127 PolarHBondContact O-N 2.73Å; D124-L127 WeakPolarHBondContact O-CB 3.33Å; D124-L127 PolarHBondContact O-N 3.45Å; D124-L127 VanDerWaalsContact O-N 3.13Å; Q125-L127 VanDerWaalsContact C-N 3.26Å; Q125-L127 PolarHBondContact O-N 2.77Å; L127-H130 PolarHBondContact O-N 2.92Å; L127-N131 WeakPolarHBondContact O-CB 3.39Å; L127-N131 PolarHBondContact O-N 3.28Å; L127-N131 PolarHBondContact O-ND2 2.85Å
128	L	55.9	Low	49.3	Very low	47 Å²	47	75 Å²	75	25%	0.246	35%	0.353	C	S	.	.	H	α-helix	trans	-60.3	-52.4	174.6	-87	157.4	0	0	0	111.8	D124 Q125 H130 N131 E132 F160	D124-L128 PolarHBondContact O-N 2.81Å; Q125-L128 PolarHBondContact O-N 3.47Å; L128-H130 VanDerWaalsContact C-N 3.27Å; L128-H130 PolarHBondContact O-N 3.47Å; L128-N131 PolarHBondContact O-N 3.03Å; L128-E132 PolarHBondContact O-N 3.03Å; L128-F160 HydrophobicContact CD2-CZ 4.19Å
129	I	54.9	Low	48.6	Very low	4 Å²	4	81.4 Å²	81.4	2%	0.021	38%	0.38	C	S	.	.	H	α-helix	trans	-57.6	-44.7	176.1	-61.6	163.4	0	0	0	109.9	L84 I121 Q125 E132 V133 Y150	L84-I129 HydrophobicContact CD2-CG2 3.95Å; I121-I129 HydrophobicContact CD1-CD1 3.8Å; I121-I129 HydrophobicContact CG2-CD1 4.41Å; Q125-I129 VanDerWaalsContact O-CG1 3.3Å; Q125-I129 WeakPolarHBondContact O-CG1 3.33Å; Q125-I129 PolarHBondContact O-N 2.89Å; I129-E132 PolarHBondContact O-N 3.45Å; I129-V133 HydrophobicContact CG2-CG2 4.23Å; I129-V133 WeakPolarHBondContact O-CB 3.07Å; I129-V133 VanDerWaalsContact O-CG2 3.25Å; I129-V133 WeakPolarHBondContact O-CG2 3.12Å; I129-V133 PolarHBondContact O-N 2.92Å; I129-Y150 HydrophobicContact CD1-CE2 4.42Å; I129-Y150 WeakPolarHBondContact CD1-OH 3.42Å; I129-Y150 HydrophobicContact CG1-CE1 4.34Å
130	H	51	Low	48.1	Very low	35 Å²	35	87.3 Å²	87.3	16%	0.162	41%	0.411	C	S	.	.	H	α-helix	trans	-63.2	-44.3	179.1	174.1	-91.1	0	0	0	112.2	F86 C126 L127 L128 E132 V133 R134	F86-H130 HydrophobicContact CE1-CB 4.27Å; F86-H130 AromaticContact CE1-CD2 3.79Å; C126-H130 VanDerWaalsContact O-CB 3.23Å; C126-H130 WeakPolarHBondContact O-CB 3.33Å; C126-H130 PolarHBondContact O-N 3.43Å; L127-H130 PolarHBondContact O-N 2.92Å; L128-H130 VanDerWaalsContact C-N 3.27Å; L128-H130 PolarHBondContact O-N 3.47Å; H130-E132 VanDerWaalsContact C-N 3.28Å; H130-E132 PolarHBondContact O-N 3.34Å; H130-V133 PolarHBondContact O-N 3Å; H130-R134 WeakPolarHBondContact O-CA 3.4Å; H130-R134 WeakPolarHBondContact O-CB 3.4Å; H130-R134 PolarHBondContact O-N 2.98Å
131	N	52.1	Low	47.9	Very low	80 Å²	80	89.2 Å²	89.2	43%	0.428	42%	0.424	S	S	.	.	H	α-helix	trans	-63.6	-39.1	178.7	-74.5	-15.6	0	0	0	110.8	L127 L128 S135	L127-N131 WeakPolarHBondContact O-CB 3.39Å; L127-N131 PolarHBondContact O-N 3.28Å; L127-N131 PolarHBondContact O-ND2 2.85Å; L128-N131 PolarHBondContact O-N 3.03Å; N131-S135 VanDerWaalsContact O-CB 3.3Å; N131-S135 WeakPolarHBondContact O-CB 3.47Å; N131-S135 PolarHBondContact O-N 2.98Å; N131-S135 PolarHBondContact O-OG 3.01Å
132	E	51.9	Low	47.1	Very low	22 Å²	22	95.6 Å²	95.6	10%	0.103	45%	0.454	C	S	.	.	H	α-helix	trans	-68.8	-43.3	176.2	-166.8	167.7	168.4	0	0	112.1	L128 I129 H130 S135 K136 V149 L153	L128-E132 PolarHBondContact O-N 3.03Å; I129-E132 PolarHBondContact O-N 3.45Å; H130-E132 VanDerWaalsContact C-N 3.28Å; H130-E132 PolarHBondContact O-N 3.34Å; E132-S135 PolarHBondContact O-N 2.82Å; E132-S135 PolarHBondContact O-OG 2.99Å; E132-K136 WeakPolarHBondContact O-CG 3.41Å; E132-K136 PolarHBondContact O-N 3.09Å; E132-K136 IonicContact OE1-NZ 2.84Å; E132-K136 PolarHBondContact OE1-NZ 3.35Å; E132-V149 HydrophobicContact CB-CG1 4.07Å; E132-V149 HydrophobicContact CG-CG1 4.12Å; E132-V149 WeakPolarHBondContact OE2-CG1 3.14Å; E132-L153 VanDerWaalsContact OE2-CD2 3.28Å; E132-L153 WeakPolarHBondContact OE2-CD2 3.41Å; E132-L153 WeakPolarHBondContact OE2-CG 3.08Å
133	V	48	Very low	46.8	Very low	32 Å²	32	98.3 Å²	98.3	19%	0.194	48%	0.477	C	S	.	.	H	α-helix	trans	-66.1	-41.8	175.6	173.6	0	0	0	0	111.5	F86 I129 H130 K136 K137	F86-V133 HydrophobicContact CE2-CG1 4.3Å; F86-V133 HydrophobicContact CZ-CG1 4.44Å; I129-V133 HydrophobicContact CG2-CG2 4.23Å; I129-V133 WeakPolarHBondContact O-CB 3.07Å; I129-V133 VanDerWaalsContact O-CG2 3.25Å; I129-V133 WeakPolarHBondContact O-CG2 3.12Å; I129-V133 PolarHBondContact O-N 2.92Å; H130-V133 PolarHBondContact O-N 3Å; V133-K136 CarbonylContact O-C 3.54Å; V133-K136 VanDerWaalsContact O-C 3.32Å; V133-K136 WeakPolarHBondContact O-CA 3.39Å; V133-K136 PolarHBondContact O-N 3Å; V133-K137 PolarHBondContact O-N 3.37Å
134	R	44.4	Very low	46.6	Very low	145 Å²	145	93.4 Å²	93.4	55%	0.547	46%	0.461	S	S	.	.	H	α-helix	trans	-66.1	-39.3	178.5	-178.3	177.5	179	178.5	4.8	111.6	H130 K136 K137	H130-R134 WeakPolarHBondContact O-CA 3.4Å; H130-R134 WeakPolarHBondContact O-CB 3.4Å; H130-R134 PolarHBondContact O-N 2.98Å; R134-K136 PolarHBondContact O-N 3.29Å; R134-K137 WeakPolarHBondContact O-CB 3.18Å; R134-K137 WeakPolarHBondContact O-CG 3.46Å; R134-K137 PolarHBondContact O-N 3.3Å; R134-K137 VanDerWaalsContact O-N 3.14Å
135	S	50.1	Low	46.3	Very low	94 Å²	94	91 Å²	91	66%	0.657	45%	0.453	S	S	*	.	H	α-helix	trans	-59.3	-25.7	172.6	76	0	0	0	0	111.9	N131 E132	N131-S135 VanDerWaalsContact O-CB 3.3Å; N131-S135 WeakPolarHBondContact O-CB 3.47Å; N131-S135 PolarHBondContact O-N 2.98Å; N131-S135 PolarHBondContact O-OG 3.01Å; E132-S135 PolarHBondContact O-N 2.82Å; E132-S135 PolarHBondContact O-OG 2.99Å
136	K	48.2	Very low	46	Very low	43 Å²	43	90.5 Å²	90.5	19%	0.187	45%	0.453	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.8	26	178.7	-63.5	177	-167.7	161.6	0	113.4	E132 V133 R134 Q138 F139 F144	E132-K136 WeakPolarHBondContact O-CG 3.41Å; E132-K136 PolarHBondContact O-N 3.09Å; E132-K136 IonicContact OE1-NZ 2.84Å; E132-K136 PolarHBondContact OE1-NZ 3.35Å; V133-K136 CarbonylContact O-C 3.54Å; V133-K136 VanDerWaalsContact O-C 3.32Å; V133-K136 WeakPolarHBondContact O-CA 3.39Å; V133-K136 PolarHBondContact O-N 3Å; R134-K136 PolarHBondContact O-N 3.29Å; K136-Q138 PolarHBondContact O-N 2.72Å; K136-F139 PolarHBondContact O-N 2.93Å; K136-F144 HydrophobicContact CD-CE1 4.33Å; K136-F144 HydrophobicContact CD-CZ 4.42Å
137	K	42.7	Very low	45.6	Very low	167 Å²	167	93.2 Å²	93.2	73%	0.726	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50	-3.6	174.7	-100.9	-170.6	177.6	-166.9	0	115.7	V133 R134	V133-K137 PolarHBondContact O-N 3.37Å; R134-K137 WeakPolarHBondContact O-CB 3.18Å; R134-K137 WeakPolarHBondContact O-CG 3.46Å; R134-K137 PolarHBondContact O-N 3.3Å; R134-K137 VanDerWaalsContact O-N 3.14Å
138	Q	40.3	Very low	45.4	Very low	179 Å²	179	96 Å²	96	84%	0.836	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.7	-8.9	175.9	-124.5	171.5	2.1	0	0	115.9	K136 N140	K136-Q138 PolarHBondContact O-N 2.72Å; Q138-N140 PolarHBondContact O-N 3.49Å
139	F	33.7	Very low	45.1	Very low	153 Å²	153	93.9 Å²	93.9	67%	0.671	46%	0.463	S	S	*	.	S	Bend	trans	-100.5	98.4	178.2	-85.2	-87.1	0	0	0	111.8	K136 F144	K136-F139 PolarHBondContact O-N 2.93Å; F139-F144 HydrophobicContact CB-CZ 4.47Å
140	N	36.6	Very low	44.7	Very low	141 Å²	141	95 Å²	95	75%	0.754	47%	0.467	S	S	*	.			trans	-5.3	125.3	155.4	-77.8	-27.2	0	0	0	114.2	Q138 Q142	Q138-N140 PolarHBondContact O-N 3.49Å; N140-Q142 PolarHBondContact O-N 3.05Å
141	K	41.1	Very low	44.5	Very low	223 Å²	223	98.8 Å²	98.8	97%	0.97	49%	0.485	S	S	*	.	S	Bend	trans	-6.8	26.8	161.6	-72.9	-178.6	176.6	175.5	0	120.4
142	Q	36.9	Very low	44.2	Very low	157 Å²	157	101 Å²	101	73%	0.734	49%	0.487	S	S	*	.			trans	-85.3	121.8	172	-74.9	-174.2	-7.3	0	0	106.1	N140 F144	N140-Q142 PolarHBondContact O-N 3.05Å; Q142-F144 PolarHBondContact O-N 2.78Å
143	S	41.5	Very low	43.7	Very low	123 Å²	123	101.9 Å²	101.9	86%	0.86	49%	0.492	S	S	*	.			trans	-36.9	102.3	168.4	-34.3	0	0	0	0	109.5	S145	S143-S145 PolarHBondContact O-N 3.34Å; S143-S145 VanDerWaalsContact O-N 3.11Å
144	F	42.6	Very low	43.4	Very low	85 Å²	85	106.7 Å²	106.7	37%	0.373	51%	0.513	S	S	.	.			trans	-68.5	114.5	172.4	-88.9	-87.2	0	0	0	107	K136 F139 Q142 V146 V149	K136-F144 HydrophobicContact CD-CE1 4.33Å; K136-F144 HydrophobicContact CD-CZ 4.42Å; F139-F144 HydrophobicContact CB-CZ 4.47Å; Q142-F144 PolarHBondContact O-N 2.78Å; F144-V146 PolarHBondContact O-N 2.99Å; F144-V146 VanDerWaalsContact O-N 3.16Å; F144-V149 HydrophobicContact CD1-CG2 4.16Å
145	S	44.1	Very low	43.1	Very low	63 Å²	63	105 Å²	105	44%	0.441	52%	0.518	S	S	.	.			trans	-61.8	117.9	163.1	176.6	0	0	0	0	106.8	S143 M147 K148	S143-S145 PolarHBondContact O-N 3.34Å; S143-S145 VanDerWaalsContact O-N 3.11Å; S145-M147 PolarHBondContact O-N 3.3Å; S145-M147 VanDerWaalsContact O-N 3.11Å; S145-K148 PolarHBondContact O-N 2.94Å
146	V	45.9	Very low	42.3	Very low	20 Å²	20	107.2 Å²	107.2	12%	0.121	52%	0.516	C	S	.	.	H	α-helix	trans	-50.8	-34.3	177.4	170.2	0	0	0	0	110.4	M68 T82 F144 K148 V149 Y150	M68-V146 HydrophobicContact CE-CG1 4.1Å; T82-V146 HydrophobicContact CG2-CG2 4Å; F144-V146 PolarHBondContact O-N 2.99Å; F144-V146 VanDerWaalsContact O-N 3.16Å; V146-K148 PolarHBondContact O-N 3.5Å; V146-V149 PolarHBondContact O-N 3.12Å; V146-Y150 HydrophobicContact CG1-CD2 3.54Å; V146-Y150 HydrophobicContact CG1-CE2 3.19Å; V146-Y150 WeakPolarHBondContact O-CD2 3.49Å; V146-Y150 PolarHBondContact O-N 2.9Å
147	M	44.3	Very low	41.6	Very low	66 Å²	66	110.5 Å²	110.5	33%	0.325	54%	0.542	S	S	.	.	H	α-helix	trans	-59.7	-42.4	174.7	-77.4	-63.5	-94.8	0	0	114.3	D72 S145 V149 Y150 E151	D72-M147 VanDerWaalsContact OD1-CE 3.29Å; D72-M147 WeakPolarHBondContact OD1-CE 3.4Å; D72-M147 VanDerWaalsContact OD2-CE 3.23Å; D72-M147 WeakPolarHBondContact OD2-CE 2.9Å; S145-M147 PolarHBondContact O-N 3.3Å; S145-M147 VanDerWaalsContact O-N 3.11Å; M147-V149 PolarHBondContact O-N 3.48Å; M147-Y150 PolarHBondContact O-N 3.27Å; M147-E151 PolarHBondContact O-N 3.18Å
148	K	47.9	Very low	41.3	Very low	136 Å²	136	105.9 Å²	105.9	59%	0.591	52%	0.524	S	S	*	.	H	α-helix	trans	-66.3	-26.4	-179.9	-78.5	-171	177.1	-178.5	0	113.1	S145 V146 R152	S145-K148 PolarHBondContact O-N 2.94Å; V146-K148 PolarHBondContact O-N 3.5Å; K148-R152 WeakPolarHBondContact O-CG 3.43Å
149	V	48.3	Very low	40.7	Very low	3 Å²	3	105 Å²	105	2%	0.018	53%	0.525	C	S	.	.	H	α-helix	trans	-74.3	-42.4	173.1	-178.1	0	0	0	0	108.9	E132 F144 V146 M147 R152 L153	E132-V149 HydrophobicContact CB-CG1 4.07Å; E132-V149 HydrophobicContact CG-CG1 4.12Å; E132-V149 WeakPolarHBondContact OE2-CG1 3.14Å; F144-V149 HydrophobicContact CD1-CG2 4.16Å; V146-V149 PolarHBondContact O-N 3.12Å; M147-V149 PolarHBondContact O-N 3.48Å; V149-R152 PolarHBondContact O-N 3.1Å; V149-L153 PolarHBondContact O-N 3.34Å; V149-L153 VanDerWaalsContact O-N 3.09Å
150	Y	46.8	Very low	40.7	Very low	28 Å²	28	104 Å²	104	11%	0.11	52%	0.521	C	S	.	.	H	α-helix	trans	-69.9	-43.2	-179.7	-75.8	-59.7	0	0	0	115.3	F64 M68 I121 I129 V146 M147 R152 L153 Q154	F64-Y150 HydrophobicContact CE1-CD1 4.25Å; F64-Y150 AromaticContact CE1-CE1 3.6Å; F64-Y150 HydrophobicContact CE1-CE1 3.6Å; F64-Y150 HydrophobicContact CE1-CE2 4.39Å; F64-Y150 AromaticContact CE1-CZ 3.68Å; F64-Y150 HydrophobicContact CZ-CE1 4.02Å; F64-Y150 HydrophobicContact CZ-CE2 4.25Å; F64-Y150 AromaticContact CZ-CZ 3.62Å; F64-Y150 VanDerWaalsContact CZ-OH 3.23Å; F64-Y150 WeakPolarHBondContact CZ-OH 3.36Å; M68-Y150 HydrophobicContact CE-CD2 3.95Å; M68-Y150 HydrophobicContact CE-CE2 3.57Å; M68-Y150 HydrophobicContact SD-CE2 4.44Å; I121-Y150 WeakPolarHBondContact CD1-OH 3.26Å; I129-Y150 HydrophobicContact CD1-CE2 4.42Å; I129-Y150 WeakPolarHBondContact CD1-OH 3.42Å; I129-Y150 HydrophobicContact CG1-CE1 4.34Å; V146-Y150 HydrophobicContact CG1-CD2 3.54Å; V146-Y150 HydrophobicContact CG1-CE2 3.19Å; V146-Y150 WeakPolarHBondContact O-CD2 3.49Å; V146-Y150 PolarHBondContact O-N 2.9Å; M147-Y150 PolarHBondContact O-N 3.27Å; Y150-R152 PolarHBondContact O-N 2.79Å; Y150-R152 VanDerWaalsContact O-N 3.17Å; Y150-L153 HydrophobicContact CD1-CD1 3.94Å; Y150-L153 HydrophobicContact CE1-CD1 4.2Å; Y150-L153 WeakPolarHBondContact O-CB 3.37Å; Y150-L153 PolarHBondContact O-N 2.95Å; Y150-Q154 PolarHBondContact O-N 3.09Å
151	E	46.2	Very low	40.1	Very low	115 Å²	115	102.7 Å²	102.7	54%	0.537	52%	0.522	S	S	.	.	H	α-helix	trans	-54.7	-35.2	173.2	-77.1	-178.7	152.8	0	0	111.2	M147 Q154 T155	M147-E151 PolarHBondContact O-N 3.18Å; E151-Q154 WeakPolarHBondContact O-CB 3.39Å; E151-Q154 PolarHBondContact O-N 3.21Å; E151-T155 PolarHBondContact O-N 3.33Å
152	R	46.3	Very low	39.5	Very low	127 Å²	127	103.6 Å²	103.6	48%	0.479	52%	0.519	S	S	.	.	H	α-helix	trans	-74	-37.1	176.3	-71	-176	-163.7	-162	4.9	113.1	K148 V149 Y150 Q154 T155 K156	K148-R152 WeakPolarHBondContact O-CG 3.43Å; V149-R152 PolarHBondContact O-N 3.1Å; Y150-R152 PolarHBondContact O-N 2.79Å; Y150-R152 VanDerWaalsContact O-N 3.17Å; R152-Q154 PolarHBondContact O-N 2.82Å; R152-T155 PolarHBondContact O-N 3.47Å; R152-T155 VanDerWaalsContact O-N 3.1Å; R152-T155 PolarHBondContact O-OG1 3.36Å; R152-K156 PolarHBondContact O-N 3.25Å
153	L	43.1	Very low	39.1	Very low	39 Å²	39	105.8 Å²	105.8	20%	0.204	53%	0.527	C	S	.	.	H	α-helix	trans	-62.5	-31.2	172.7	-71.5	175.5	0	0	0	111.9	E132 V149 Y150 T155	E132-L153 VanDerWaalsContact OE2-CD2 3.28Å; E132-L153 WeakPolarHBondContact OE2-CD2 3.41Å; E132-L153 WeakPolarHBondContact OE2-CG 3.08Å; V149-L153 PolarHBondContact O-N 3.34Å; V149-L153 VanDerWaalsContact O-N 3.09Å; Y150-L153 HydrophobicContact CD1-CD1 3.94Å; Y150-L153 HydrophobicContact CE1-CD1 4.2Å; Y150-L153 WeakPolarHBondContact O-CB 3.37Å; Y150-L153 PolarHBondContact O-N 2.95Å; L153-T155 VanDerWaalsContact C-N 3.32Å; L153-T155 PolarHBondContact O-N 3.31Å
154	Q	40.8	Very low	38.6	Very low	134 Å²	134	108.2 Å²	108.2	63%	0.626	55%	0.554	S	S	*	*	H	α-helix	trans	-62.5	-38.3	171.4	-67.1	-179.5	4.9	0	0	112.1	M65 Y150 E151 R152	M65-Q154 HydrophobicContact CE-CG 4.38Å; Y150-Q154 PolarHBondContact O-N 3.09Å; E151-Q154 WeakPolarHBondContact O-CB 3.39Å; E151-Q154 PolarHBondContact O-N 3.21Å; R152-Q154 PolarHBondContact O-N 2.82Å
155	T	37.6	Very low	38.4	Very low	108 Å²	108	109.4 Å²	109.4	66%	0.663	56%	0.563	S	S	*	*	H	α-helix	trans	-83	-10.5	-175.5	59.3	0	0	0	0	115.2	E151 R152 L153	E151-T155 PolarHBondContact O-N 3.33Å; R152-T155 PolarHBondContact O-N 3.47Å; R152-T155 VanDerWaalsContact O-N 3.1Å; R152-T155 PolarHBondContact O-OG1 3.36Å; L153-T155 VanDerWaalsContact C-N 3.32Å; L153-T155 PolarHBondContact O-N 3.31Å
156	K	34.5	Very low	38.1	Very low	141 Å²	141	111.8 Å²	111.8	61%	0.613	57%	0.569	S	S	*	*	S	Bend	trans	-108.7	113.4	-178.1	-71.9	-170.3	177.1	-169.7	0	110.5	R152 I158	R152-K156 PolarHBondContact O-N 3.25Å; K156-I158 PolarHBondContact O-N 3.02Å
157	P	32.8	Very low	37.6	Very low	112 Å²	112	116.9 Å²	116.9	73%	0.727	59%	0.594	S	S	*	*			trans	-60.1	117.5	167.7	24.2	-30.1	0	0	0	107.7	L159	P157-L159 VanDerWaalsContact C-N 3.28Å; P157-L159 PolarHBondContact O-N 2.93Å
158	I	36.7	Very low	37.3	Very low	70 Å²	70	119.9 Å²	119.9	36%	0.359	61%	0.61	S	S	.	*			trans	-72.7	85	-171.8	-53.8	172.6	0	0	0	108.6	K156 F160	K156-I158 PolarHBondContact O-N 3.02Å; I158-F160 VanDerWaalsContact C-N 3.34Å; I158-F160 HydrophobicContact CG2-CD2 3.35Å; I158-F160 HydrophobicContact CG2-CE2 3.25Å; I158-F160 HydrophobicContact CG2-CG 4.26Å; I158-F160 HydrophobicContact CG2-CZ 4.09Å; I158-F160 PolarHBondContact O-N 3.25Å
159	L	27.9	Very low	36.6	Very low	162 Å²	162	118.9 Å²	118.9	85%	0.848	61%	0.611	S	S	*	*			trans	-71.2	87.8	168.2	-94.1	136.5	0	0	0	108.8	P157 S161	P157-L159 VanDerWaalsContact C-N 3.28Å; P157-L159 PolarHBondContact O-N 2.93Å; L159-S161 PolarHBondContact O-N 2.86Å
160	F	32.1	Very low	35.8	Very low	132 Å²	132	126.6 Å²	126.6	58%	0.579	65%	0.651	S	S	*	*			trans	-73.8	91.4	166.1	-87.3	-74.5	0	0	0	109.2	L128 I158 R162	L128-F160 HydrophobicContact CD2-CZ 4.19Å; I158-F160 VanDerWaalsContact C-N 3.34Å; I158-F160 HydrophobicContact CG2-CD2 3.35Å; I158-F160 HydrophobicContact CG2-CE2 3.25Å; I158-F160 HydrophobicContact CG2-CG 4.26Å; I158-F160 HydrophobicContact CG2-CZ 4.09Å; I158-F160 PolarHBondContact O-N 3.25Å; F160-R162 PolarHBondContact O-N 2.84Å; F160-R162 VanDerWaalsContact O-N 3.13Å
161	S	25.6	Very low	35	Very low	112 Å²	112	133.6 Å²	133.6	78%	0.783	69%	0.689	S	S	*	*			trans	-67.7	106.1	160.7	-169.3	0	0	0	0	107.8	L159 K163	L159-S161 PolarHBondContact O-N 2.86Å; S161-K163 PolarHBondContact O-N 2.98Å
162	R	27.3	Very low	34.2	Very low	242 Å²	242	135.1 Å²	135.1	91%	0.913	70%	0.701	S	S	*	*			trans	-54.6	121.5	164.6	-78.8	180	174.5	176.5	-2	107.7	F160	F160-R162 PolarHBondContact O-N 2.84Å; F160-R162 VanDerWaalsContact O-N 3.13Å
163	K	28.9	Very low	33.2	Very low	204 Å²	204	135.8 Å²	135.8	89%	0.887	72%	0.719	S	S	*	*			trans	-93	121.3	157.6	-103.8	-177.9	174.3	-178	0	106.6	S161	S161-K163 PolarHBondContact O-N 2.98Å
164	A	30.8	Very low	32.3	Very low	173 Å²	173	144.5 Å²	144.5	100%	1.43	77%	0.766	S	S	*	*			trans	-56.3	0	174.1	0	0	0	0	0	111.9

Retrieved 164 of 164 residues in 50.8 ms (Link to these results)

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