A0A3Q0KBN1_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A3Q0KBN1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 208 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	49.4	Very low	58.3	Low	244 Å²	244	152.6 Å²	152.6	100%	1.202	81%	0.81	S	S	*	*				0	126.1	0	-68.1	-174.2	87.5	0	0	108.6
2	A	57.5	Low	58.1	Low	90 Å²	90	151.6 Å²	151.6	74%	0.744	80%	0.797	S	S	*	*			trans	-77	143	177.8	0	0	0	0	0	110.6	V4	A2-V4 PolarHBondContact O-N 3.02Å
3	P	60.7	Low	58.2	Low	123 Å²	123	146.8 Å²	146.8	80%	0.799	78%	0.78	S	S	*	*			trans	-61.7	122.9	178.2	-19.1	30	0	0	0	111.2	R5	P3-R5 PolarHBondContact O-N 3.46Å
4	V	61.9	Low	58	Low	139 Å²	139	141.5 Å²	141.5	84%	0.842	76%	0.761	S	S	*	*			trans	-65.8	105.6	169.8	179.8	0	0	0	0	107.6	A2 K6	A2-V4 PolarHBondContact O-N 3.02Å; V4-K6 PolarHBondContact O-N 3.33Å
5	R	62.2	Low	58	Low	227 Å²	227	136.5 Å²	136.5	86%	0.857	73%	0.734	S	S	*	*			trans	-61	122.3	174.3	-68.5	179.9	-176.6	155.3	0.8	108	P3 I7	P3-R5 PolarHBondContact O-N 3.46Å; R5-I7 PolarHBondContact O-N 3.12Å
6	K	65.2	Low	58.1	Low	197 Å²	197	141.8 Å²	141.8	86%	0.857	74%	0.74	S	S	*	*			trans	-63.2	107.7	170.2	-67	-166.4	-179.8	-175.5	0	107.1	V4 T8	V4-K6 PolarHBondContact O-N 3.33Å; K6-T8 VanDerWaalsContact C-N 3.34Å; K6-T8 PolarHBondContact O-N 3Å
7	I	57.9	Low	58.5	Low	160 Å²	160	141.4 Å²	141.4	82%	0.821	73%	0.731	S	S	*	*			trans	-63.6	103.1	172	-46	170.3	0	0	0	104.8	R5 S9	R5-I7 PolarHBondContact O-N 3.12Å; I7-S9 PolarHBondContact O-N 3.42Å
8	T	58.3	Low	59.3	Low	122 Å²	122	136.7 Å²	136.7	75%	0.748	71%	0.713	S	S	*	*			trans	-62.6	106.9	168.2	49.1	0	0	0	0	105.4	K6 S10	K6-T8 VanDerWaalsContact C-N 3.34Å; K6-T8 PolarHBondContact O-N 3Å; T8-S10 PolarHBondContact O-N 3.41Å
9	S	55.5	Low	60.4	Low	78 Å²	78	135.5 Å²	135.5	55%	0.545	70%	0.701	S	S	.	*			trans	-47.4	110.3	172.9	145.9	0	0	0	0	107.8	I7 R11	I7-S9 PolarHBondContact O-N 3.42Å; S9-R11 PolarHBondContact O-N 2.83Å; S9-R11 VanDerWaalsContact OG-CG 3.26Å; S9-R11 WeakPolarHBondContact OG-CG 3.46Å
10	S	57.3	Low	61.5	Low	115 Å²	115	132.6 Å²	132.6	80%	0.804	68%	0.683	S	S	*	*			trans	-70.5	16.3	-176.4	64.1	0	0	0	0	113.3	T8 H12	T8-S10 PolarHBondContact O-N 3.41Å; S10-H12 PolarHBondContact O-N 3.02Å
11	R	55	Low	62.6	Low	184 Å²	184	131.3 Å²	131.3	69%	0.694	67%	0.674	S	S	*	*			trans	-51.8	113	178.1	-75.8	-177.9	-161.8	-165.8	3.8	108.5	S9 D15	S9-R11 PolarHBondContact O-N 2.83Å; S9-R11 VanDerWaalsContact OG-CG 3.26Å; S9-R11 WeakPolarHBondContact OG-CG 3.46Å; R11-D15 HydrophobicContact CB-CB 4.46Å
12	H	56.5	Low	64	Low	140 Å²	140	119.9 Å²	119.9	65%	0.648	62%	0.618	S	S	*	*			trans	-52.3	144.2	179.9	-124.9	-82.6	0	0	0	109.2	S10 S14 D15	S10-H12 PolarHBondContact O-N 3.02Å; H12-S14 PolarHBondContact O-N 3.17Å; H12-D15 VanDerWaalsContact O-CB 3.23Å; H12-D15 WeakPolarHBondContact O-CB 3.26Å; H12-D15 PolarHBondContact O-N 2.76Å
13	P	58.6	Low	65.1	Low	89 Å²	89	115.9 Å²	115.9	58%	0.578	58%	0.584	S	S	*	*	G	3₁₀ helix	trans	-53.3	-29.1	178.6	-25.5	32.3	0	0	0	113.4	D15 R16	P13-D15 PolarHBondContact O-N 2.77Å; P13-R16 WeakPolarHBondContact O-CB 3.33Å; P13-R16 PolarHBondContact O-N 3.26Å; P13-R16 VanDerWaalsContact O-N 3.14Å
14	S	56.2	Low	65.9	Low	73 Å²	73	115.3 Å²	115.3	51%	0.51	57%	0.566	S	S	.	*	G	3₁₀ helix	trans	-62.7	-28.5	175.9	54.3	0	0	0	0	113.4	H12 R16 F17	H12-S14 PolarHBondContact O-N 3.17Å; S14-R16 PolarHBondContact O-N 3.46Å; S14-F17 PolarHBondContact O-N 3.26Å
15	D	57.5	Low	66.6	Low	67 Å²	67	117.2 Å²	117.2	36%	0.358	57%	0.566	S	S	.	*	G	3₁₀ helix	trans	-71.8	-14.9	177.8	-149.2	37	0	0	0	112.4	R11 H12 P13 F17 K19	R11-D15 HydrophobicContact CB-CB 4.46Å; H12-D15 VanDerWaalsContact O-CB 3.23Å; H12-D15 WeakPolarHBondContact O-CB 3.26Å; H12-D15 PolarHBondContact O-N 2.76Å; P13-D15 PolarHBondContact O-N 2.77Å; D15-F17 VanDerWaalsContact C-N 3.31Å; D15-K19 WeakPolarHBondContact OD1-CE 3.23Å; D15-K19 IonicContact OD1-NZ 3.49Å; D15-K19 PolarHBondContact OD1-NZ 2.87Å
16	R	59.9	Low	67.5	Low	221 Å²	221	112.1 Å²	112.1	83%	0.834	56%	0.556	S	S	*	*	G	3₁₀ helix	trans	-74.6	-21.7	172.8	-63.1	-175.3	178.7	-173	0.2	112.8	P13 S14	P13-R16 WeakPolarHBondContact O-CB 3.33Å; P13-R16 PolarHBondContact O-N 3.26Å; P13-R16 VanDerWaalsContact O-N 3.14Å; S14-R16 PolarHBondContact O-N 3.46Å
17	F	65.2	Low	68.1	Low	135 Å²	135	105.5 Å²	105.5	59%	0.592	54%	0.543	S	S	*	.	S	Bend	trans	-81.2	138.8	178.1	-61	-69.4	0	0	0	109.8	S14 D15 K19	S14-F17 PolarHBondContact O-N 3.26Å; D15-F17 VanDerWaalsContact C-N 3.31Å; F17-K19 PolarHBondContact O-N 2.99Å
18	S	72.1	Confident	69.3	Low	57 Å²	57	99.9 Å²	99.9	40%	0.399	52%	0.518	S	S	.	.			trans	-60.9	106.6	173	67.2	0	0	0	0	108.6	K34	S18-K34 PolarHBondContact O-N 3.44Å; S18-K34 WeakPolarHBondContact OG-CB 3.49Å
19	K	80.1	Confident	70.5	Confident	113 Å²	113	97.7 Å²	97.7	49%	0.491	50%	0.504	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	135.2	171.4	-65.3	179.4	-170.5	168.6	0	108.4	D15 F17 V31	D15-K19 WeakPolarHBondContact OD1-CE 3.23Å; D15-K19 IonicContact OD1-NZ 3.49Å; D15-K19 PolarHBondContact OD1-NZ 2.87Å; F17-K19 PolarHBondContact O-N 2.99Å; K19-V31 HydrophobicContact CB-CG1 3.88Å; K19-V31 HydrophobicContact CD-CG1 4.16Å; K19-V31 HydrophobicContact CG-CG1 4.15Å
20	K	83.3	Confident	71.8	Confident	77 Å²	77	96.8 Å²	96.8	34%	0.335	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	138	178.2	-63.2	-60.3	178	-173	0	108.4	V31 V32 K34 K37	K20-V31 WeakPolarHBondContact O-CA 3.46Å; K20-V32 HydrophobicContact CB-CG2 4.31Å; K20-V32 PolarHBondContact N-O 2.63Å; K20-V32 PolarHBondContact O-N 2.8Å; K20-K34 HydrophobicContact CG-CB 4.24Å; K20-K37 HydrophobicContact CB-CB 4.26Å; K20-K37 HydrophobicContact CB-CD 3.71Å; K20-K37 HydrophobicContact CG-CD 4.13Å
21	H	83.9	Confident	73.1	Confident	106 Å²	106	95 Å²	95	49%	0.491	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	140.7	177	-57	94	0	0	0	109	V29 K37	H21-V29 HydrophobicContact CB-CG1 3.78Å; H21-K37 PolarHBondContact O-NZ 3.31Å
22	I	79.5	Confident	74.4	Confident	5 Å²	5	87.1 Å²	87.1	3%	0.026	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	104	-178.6	-71.4	-174.7	0	0	0	105	L30 V32 K37 I40 Y77	I22-L30 HydrophobicContact CB-CB 4.35Å; I22-L30 PolarHBondContact N-O 3.13Å; I22-L30 PolarHBondContact O-N 3.3Å; I22-V32 HydrophobicContact CD1-CG1 4.39Å; I22-V32 HydrophobicContact CD1-CG2 3.41Å; I22-V32 VanDerWaalsContact CD1-CG2 3.41Å; I22-V32 HydrophobicContact CG1-CG2 4.05Å; I22-K37 HydrophobicContact CD1-CB 3.94Å; I22-K37 HydrophobicContact CD1-CD 4.21Å; I22-K37 HydrophobicContact CD1-CG 3.82Å; I22-K37 HydrophobicContact CG1-CD 4.02Å; I22-K37 HydrophobicContact CG1-CG 4.19Å; I22-I40 HydrophobicContact CD1-CD1 3.88Å; I22-Y77 HydrophobicContact CB-CD1 4.09Å; I22-Y77 HydrophobicContact CB-CE1 4.24Å; I22-Y77 HydrophobicContact CG2-CD1 3.15Å; I22-Y77 HydrophobicContact CG2-CD2 4.09Å; I22-Y77 HydrophobicContact CG2-CE1 3.01Å; I22-Y77 HydrophobicContact CG2-CE2 3.94Å; I22-Y77 HydrophobicContact CG2-CG 3.73Å; I22-Y77 VanDerWaalsContact CG2-CZ 3.43Å
23	C	80.6	Confident	75.6	Confident	5 Å²	5	82.7 Å²	82.7	3%	0.034	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	105.6	-177.5	-48.2	0	0	0	0	113.2	S28 Y77 P78 C80	C23-S28 CarbonylContact C-O 3.56Å; C23-Y77 VanDerWaalsContact N-CD1 3.28Å; C23-Y77 WeakPolarHBondContact O-CD1 3.17Å; C23-Y77 VanDerWaalsContact O-CE1 3.26Å; C23-Y77 WeakPolarHBondContact O-CE1 3.47Å; C23-P78 HydrophobicContact CB-CG 4.34Å; C23-P78 WeakPolarHBondContact CB-O 3.38Å; C23-P78 PolarHBondContact SG-O 2.92Å; C23-P78 VanDerWaalsContact SG-O 3.38Å; C23-C80 WeakPolarHBondContact CB-SG 3.43Å; C23-C80 WeakPolarHBondContact SG-CB 3.13Å; C23-C80 CovalentContact SG-SG 2.04Å; C23-C80 PolarHBondContact SG-SG 3.45Å
24	R	78.1	Confident	76.7	Confident	111 Å²	111	84.5 Å²	84.5	42%	0.419	43%	0.433	S	S	.	.			trans	-68.8	166.2	-177.9	-69.8	-176.1	-179.3	173.2	-2.5	111.9	D26 G27 S28 Y77	R24-D26 VanDerWaalsContact C-N 3.25Å; R24-D26 WeakPolarHBondContact CB-OD1 3.48Å; R24-D26 PolarHBondContact O-N 3.16Å; R24-G27 WeakPolarHBondContact O-CA 3.45Å; R24-G27 PolarHBondContact O-N 3.46Å; R24-S28 WeakPolarHBondContact CD-OG 3.35Å; R24-S28 PolarHBondContact N-O 3.5Å; R24-Y77 VanDerWaalsContact CA-CE1 3.49Å; R24-Y77 HydrophobicContact CB-CE1 4.22Å; R24-Y77 HydrophobicContact CG-CE1 3.79Å
25	E	76.1	Confident	77.9	Confident	180 Å²	180	88.8 Å²	88.8	84%	0.841	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-31.8	179.1	-65.7	176.9	-177.4	0	0	112.9	G27	E25-G27 PolarHBondContact O-N 3.31Å
26	D	80.2	Confident	79.1	Confident	120 Å²	120	89.9 Å²	89.9	64%	0.642	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-0.6	173.5	68.4	-13.9	0	0	0	113.5	R24 S28	R24-D26 VanDerWaalsContact C-N 3.25Å; R24-D26 WeakPolarHBondContact CB-OD1 3.48Å; R24-D26 PolarHBondContact O-N 3.16Å; D26-S28 VanDerWaalsContact C-N 3.28Å; D26-S28 VanDerWaalsContact CG-OG 3.27Å; D26-S28 PolarHBondContact O-N 3.43Å; D26-S28 WeakPolarHBondContact OD1-CB 3.46Å; D26-S28 PolarHBondContact OD1-N 2.99Å; D26-S28 PolarHBondContact OD1-OG 3.19Å; D26-S28 PolarHBondContact OD2-OG 3.49Å; D26-S28 VanDerWaalsContact OD2-OG 3.12Å
27	G	78	Confident	80.2	Confident	58 Å²	58	82.1 Å²	82.1	60%	0.598	42%	0.419	S	S	*	.	S	Bend	trans	83.4	-4	-177.1	0	0	0	0	0	114.4	R24 E25	R24-G27 WeakPolarHBondContact O-CA 3.45Å; R24-G27 PolarHBondContact O-N 3.46Å; E25-G27 PolarHBondContact O-N 3.31Å
28	S	83.5	Confident	81	Confident	42 Å²	42	79.8 Å²	79.8	29%	0.294	41%	0.413	S	S	.	.			trans	-72.4	149.6	177	71.1	0	0	0	0	111.5	C23 R24 D26	C23-S28 CarbonylContact C-O 3.56Å; R24-S28 WeakPolarHBondContact CD-OG 3.35Å; R24-S28 PolarHBondContact N-O 3.5Å; D26-S28 VanDerWaalsContact C-N 3.28Å; D26-S28 VanDerWaalsContact CG-OG 3.27Å; D26-S28 PolarHBondContact O-N 3.43Å; D26-S28 WeakPolarHBondContact OD1-CB 3.46Å; D26-S28 PolarHBondContact OD1-N 2.99Å; D26-S28 PolarHBondContact OD1-OG 3.19Å; D26-S28 PolarHBondContact OD2-OG 3.49Å; D26-S28 VanDerWaalsContact OD2-OG 3.12Å
29	V	83.8	Confident	81.4	Confident	75 Å²	75	80.1 Å²	80.1	46%	0.455	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	116.9	-177.9	-177.9	0	0	0	0	110.5	H21	H21-V29 HydrophobicContact CB-CG1 3.78Å
30	L	83.2	Confident	81.4	Confident	60 Å²	60	76.6 Å²	76.6	31%	0.314	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	125.6	172.6	-172.2	70	0	0	0	110.3	I22 V32 I40	I22-L30 HydrophobicContact CB-CB 4.35Å; I22-L30 PolarHBondContact N-O 3.13Å; I22-L30 PolarHBondContact O-N 3.3Å; L30-V32 HydrophobicContact CD2-CG1 3.57Å; L30-V32 HydrophobicContact CG-CG1 3.63Å; L30-I40 HydrophobicContact CD2-CD1 4.42Å
31	V	83.6	Confident	81.2	Confident	78 Å²	78	77.1 Å²	77.1	47%	0.473	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	117	174.1	-174.1	0	0	0	0	109.3	K19 K20	K19-V31 HydrophobicContact CB-CG1 3.88Å; K19-V31 HydrophobicContact CD-CG1 4.16Å; K19-V31 HydrophobicContact CG-CG1 4.15Å; K20-V31 WeakPolarHBondContact O-CA 3.46Å
32	V	83.5	Confident	80.9	Confident	18 Å²	18	78.3 Å²	78.3	11%	0.109	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	163.9	-178.5	-56.5	0	0	0	0	112.3	K20 I22 L30 M36 K37 I40	K20-V32 HydrophobicContact CB-CG2 4.31Å; K20-V32 PolarHBondContact N-O 2.63Å; K20-V32 PolarHBondContact O-N 2.8Å; I22-V32 HydrophobicContact CD1-CG1 4.39Å; I22-V32 HydrophobicContact CD1-CG2 3.41Å; I22-V32 VanDerWaalsContact CD1-CG2 3.41Å; I22-V32 HydrophobicContact CG1-CG2 4.05Å; L30-V32 HydrophobicContact CD2-CG1 3.57Å; L30-V32 HydrophobicContact CG-CG1 3.63Å; V32-M36 HydrophobicContact CB-CB 4.03Å; V32-M36 HydrophobicContact CB-CG 4.06Å; V32-M36 HydrophobicContact CG1-CG 4.2Å; V32-M36 HydrophobicContact CG2-CB 4.46Å; V32-K37 HydrophobicContact CG2-CB 3.79Å; V32-I40 HydrophobicContact CG1-CD1 4.2Å
33	S	81.5	Confident	80.7	Confident	47 Å²	47	82.5 Å²	82.5	33%	0.329	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	156.2	167.8	74.6	0	0	0	0	110.9	K35 M36 K37	S33-K35 PolarHBondContact O-N 3.33Å; S33-M36 PolarHBondContact O-N 3.37Å; S33-M36 VanDerWaalsContact O-N 3.09Å; S33-M36 WeakPolarHBondContact OG-CB 3.41Å; S33-M36 PolarHBondContact OG-N 3.18Å; S33-K37 PolarHBondContact O-N 2.97Å
34	K	81.2	Confident	80	Confident	126 Å²	126	85 Å²	85	55%	0.548	44%	0.438	S	S	.	.	H	α-helix	trans	-54.8	-37.5	173.6	-175.7	178.1	-179.6	-176	0	113.2	S18 K20 K37 N38	S18-K34 PolarHBondContact O-N 3.44Å; S18-K34 WeakPolarHBondContact OG-CB 3.49Å; K20-K34 HydrophobicContact CG-CB 4.24Å; K34-K37 PolarHBondContact O-N 3.01Å; K34-N38 PolarHBondContact O-N 3.01Å
35	K	82	Confident	79.3	Confident	164 Å²	164	84.1 Å²	84.1	71%	0.713	44%	0.439	S	S	*	.	H	α-helix	trans	-62.6	-46.9	176.5	-175.1	-179.8	178.4	-176.2	0	110.5	S33 N38 I39	S33-K35 PolarHBondContact O-N 3.33Å; K35-N38 PolarHBondContact O-N 2.9Å; K35-I39 HydrophobicContact CG-CD1 4.28Å; K35-I39 WeakPolarHBondContact O-CG1 3.44Å; K35-I39 PolarHBondContact O-N 2.73Å
36	M	82.9	Confident	78.4	Confident	90 Å²	90	78 Å²	78	44%	0.443	42%	0.419	S	S	.	.	H	α-helix	trans	-67.3	-38.4	179.4	-173.7	61.1	75.5	0	0	112.4	V32 S33 N38 I39 I40	V32-M36 HydrophobicContact CB-CB 4.03Å; V32-M36 HydrophobicContact CB-CG 4.06Å; V32-M36 HydrophobicContact CG1-CG 4.2Å; V32-M36 HydrophobicContact CG2-CB 4.46Å; S33-M36 PolarHBondContact O-N 3.37Å; S33-M36 VanDerWaalsContact O-N 3.09Å; S33-M36 WeakPolarHBondContact OG-CB 3.41Å; S33-M36 PolarHBondContact OG-N 3.18Å; M36-N38 VanDerWaalsContact C-N 3.27Å; M36-N38 PolarHBondContact O-N 2.99Å; M36-I39 PolarHBondContact O-N 2.84Å; M36-I39 VanDerWaalsContact O-N 3.16Å; M36-I40 HydrophobicContact CG-CD1 3.9Å; M36-I40 HydrophobicContact CG-CG1 4.35Å; M36-I40 WeakPolarHBondContact O-CG1 3.29Å; M36-I40 PolarHBondContact O-N 2.83Å; M36-I40 HydrophobicContact SD-CD1 4.49Å; M36-I40 HydrophobicContact SD-CG1 4.39Å
37	K	82.3	Confident	77.5	Confident	57 Å²	57	77.8 Å²	77.8	25%	0.248	42%	0.415	C	S	.	.	H	α-helix	trans	-56.7	-41.1	173.9	179.6	160.3	-178.2	166.6	0	112.1	K20 H21 I22 V32 S33 K34 K41 D79	K20-K37 HydrophobicContact CB-CB 4.26Å; K20-K37 HydrophobicContact CB-CD 3.71Å; K20-K37 HydrophobicContact CG-CD 4.13Å; H21-K37 PolarHBondContact O-NZ 3.31Å; I22-K37 HydrophobicContact CD1-CB 3.94Å; I22-K37 HydrophobicContact CD1-CD 4.21Å; I22-K37 HydrophobicContact CD1-CG 3.82Å; I22-K37 HydrophobicContact CG1-CD 4.02Å; I22-K37 HydrophobicContact CG1-CG 4.19Å; V32-K37 HydrophobicContact CG2-CB 3.79Å; S33-K37 PolarHBondContact O-N 2.97Å; K34-K37 PolarHBondContact O-N 3.01Å; K37-K41 WeakPolarHBondContact O-CB 3.48Å; K37-K41 PolarHBondContact O-N 2.74Å; K37-D79 IonicContact NZ-OD1 2.64Å; K37-D79 PolarHBondContact NZ-OD1 3.26Å
38	N	80.8	Confident	76.4	Confident	87 Å²	87	78.2 Å²	78.2	47%	0.465	41%	0.409	S	S	.	.	H	α-helix	trans	-67.8	-41.5	177.6	-73.7	1.7	0	0	0	112.2	K34 K35 M36 K41 Q42	K34-N38 PolarHBondContact O-N 3.01Å; K35-N38 PolarHBondContact O-N 2.9Å; M36-N38 VanDerWaalsContact C-N 3.27Å; M36-N38 PolarHBondContact O-N 2.99Å; N38-K41 PolarHBondContact O-N 3.2Å; N38-Q42 WeakPolarHBondContact O-CG 3.42Å; N38-Q42 PolarHBondContact O-N 3.23Å
39	I	81.5	Confident	75	Confident	64 Å²	64	80.7 Å²	80.7	33%	0.328	42%	0.417	S	S	.	.	H	α-helix	trans	-61.7	-47.3	176.9	-65.7	166.6	0	0	0	110.4	K35 M36 K41 Q42 N43	K35-I39 HydrophobicContact CG-CD1 4.28Å; K35-I39 WeakPolarHBondContact O-CG1 3.44Å; K35-I39 PolarHBondContact O-N 2.73Å; M36-I39 PolarHBondContact O-N 2.84Å; M36-I39 VanDerWaalsContact O-N 3.16Å; I39-K41 VanDerWaalsContact C-N 3.32Å; I39-K41 PolarHBondContact O-N 2.95Å; I39-Q42 PolarHBondContact O-N 3.14Å; I39-N43 WeakPolarHBondContact O-CB 3.37Å; I39-N43 PolarHBondContact O-N 2.94Å
40	I	79.7	Confident	73.7	Confident	38 Å²	38	80.8 Å²	80.8	20%	0.195	42%	0.418	C	S	.	.	H	α-helix	trans	-59	-45.2	177.3	-65.8	166.2	0	0	0	110.5	I22 L30 V32 M36 Q42 N43 L44	I22-I40 HydrophobicContact CD1-CD1 3.88Å; L30-I40 HydrophobicContact CD2-CD1 4.42Å; V32-I40 HydrophobicContact CG1-CD1 4.2Å; M36-I40 HydrophobicContact CG-CD1 3.9Å; M36-I40 HydrophobicContact CG-CG1 4.35Å; M36-I40 WeakPolarHBondContact O-CG1 3.29Å; M36-I40 PolarHBondContact O-N 2.83Å; M36-I40 HydrophobicContact SD-CD1 4.49Å; M36-I40 HydrophobicContact SD-CG1 4.39Å; I40-Q42 PolarHBondContact O-N 3.05Å; I40-N43 PolarHBondContact O-N 2.85Å; I40-L44 HydrophobicContact CG2-CD1 3.88Å; I40-L44 HydrophobicContact CG2-CG 4.45Å; I40-L44 VanDerWaalsContact O-CG 3.29Å; I40-L44 WeakPolarHBondContact O-CG 3.12Å; I40-L44 PolarHBondContact O-N 3.34Å
41	K	78.8	Confident	72.3	Confident	89 Å²	89	83.2 Å²	83.2	39%	0.387	43%	0.432	S	S	.	.	H	α-helix	trans	-60.3	-44.7	178.2	-167.4	178.5	-174.2	-73.6	0	112.1	K37 N38 I39 L44 E45	K37-K41 WeakPolarHBondContact O-CB 3.48Å; K37-K41 PolarHBondContact O-N 2.74Å; N38-K41 PolarHBondContact O-N 3.2Å; I39-K41 VanDerWaalsContact C-N 3.32Å; I39-K41 PolarHBondContact O-N 2.95Å; K41-L44 PolarHBondContact O-N 3.16Å; K41-E45 IonicContact NZ-OE1 2.69Å; K41-E45 PolarHBondContact NZ-OE1 3.26Å; K41-E45 WeakPolarHBondContact O-CG 3.49Å; K41-E45 PolarHBondContact O-N 2.97Å
42	Q	78.6	Confident	71	Confident	130 Å²	130	84.5 Å²	84.5	61%	0.607	43%	0.434	S	S	*	.	H	α-helix	trans	-67.2	-41.1	178.9	-73.9	-176.5	-30.5	0	0	112.3	N38 I39 I40 L44 E45 A46	N38-Q42 WeakPolarHBondContact O-CG 3.42Å; N38-Q42 PolarHBondContact O-N 3.23Å; I39-Q42 PolarHBondContact O-N 3.14Å; I40-Q42 PolarHBondContact O-N 3.05Å; Q42-L44 VanDerWaalsContact C-N 3.3Å; Q42-L44 PolarHBondContact O-N 3.03Å; Q42-E45 PolarHBondContact O-N 3.24Å; Q42-A46 WeakPolarHBondContact O-CB 3.28Å; Q42-A46 PolarHBondContact O-N 3.15Å
43	N	74.2	Confident	69.6	Low	93 Å²	93	89.1 Å²	89.1	50%	0.497	46%	0.456	S	S	.	.	H	α-helix	trans	-63.7	-36.7	177.1	-73	-4.4	0	0	0	111.9	I39 I40 A46 Q47	I39-N43 WeakPolarHBondContact O-CB 3.37Å; I39-N43 PolarHBondContact O-N 2.94Å; I40-N43 PolarHBondContact O-N 2.85Å; N43-A46 PolarHBondContact O-N 3.38Å; N43-Q47 WeakPolarHBondContact O-CG 3.13Å; N43-Q47 PolarHBondContact O-N 3.22Å
44	L	66.1	Low	68.3	Low	58 Å²	58	91.7 Å²	91.7	30%	0.304	47%	0.47	S	S	.	.	H	α-helix	trans	-71.1	-40	176.5	-69.2	169.7	0	0	0	112.2	I40 K41 Q42 A46 Q47 S48 P76 Y77	I40-L44 HydrophobicContact CG2-CD1 3.88Å; I40-L44 HydrophobicContact CG2-CG 4.45Å; I40-L44 VanDerWaalsContact O-CG 3.29Å; I40-L44 WeakPolarHBondContact O-CG 3.12Å; I40-L44 PolarHBondContact O-N 3.34Å; K41-L44 PolarHBondContact O-N 3.16Å; Q42-L44 VanDerWaalsContact C-N 3.3Å; Q42-L44 PolarHBondContact O-N 3.03Å; L44-A46 VanDerWaalsContact C-N 3.28Å; L44-A46 PolarHBondContact O-N 2.94Å; L44-Q47 PolarHBondContact O-N 2.91Å; L44-S48 WeakPolarHBondContact O-CB 3.33Å; L44-S48 PolarHBondContact O-N 3.23Å; L44-P76 HydrophobicContact CD1-CG 4.37Å; L44-Y77 HydrophobicContact CD1-CD2 4.21Å; L44-Y77 HydrophobicContact CD1-CE2 3.75Å
45	E	63.3	Low	66.8	Low	92 Å²	92	92.8 Å²	92.8	43%	0.43	48%	0.477	S	S	.	.	H	α-helix	trans	-59.4	-42.1	171.5	-75.4	172.2	-170.2	0	0	110.6	K41 Q42 S48 I49	K41-E45 IonicContact NZ-OE1 2.69Å; K41-E45 PolarHBondContact NZ-OE1 3.26Å; K41-E45 WeakPolarHBondContact O-CG 3.49Å; K41-E45 PolarHBondContact O-N 2.97Å; Q42-E45 PolarHBondContact O-N 3.24Å; E45-S48 PolarHBondContact O-N 2.91Å; E45-I49 WeakPolarHBondContact O-CD1 2.82Å; E45-I49 VanDerWaalsContact O-CG1 3.28Å; E45-I49 WeakPolarHBondContact O-CG1 3.26Å; E45-I49 PolarHBondContact O-N 2.97Å; E45-I49 VanDerWaalsContact O-N 3.1Å
46	A	58	Low	65	Low	52 Å²	52	90.9 Å²	90.9	43%	0.43	48%	0.475	S	S	.	.	H	α-helix	trans	-64.6	-44.7	176.3	0	0	0	0	0	112.8	Q42 N43 L44 S48 I49 T50	Q42-A46 WeakPolarHBondContact O-CB 3.28Å; Q42-A46 PolarHBondContact O-N 3.15Å; N43-A46 PolarHBondContact O-N 3.38Å; L44-A46 VanDerWaalsContact C-N 3.28Å; L44-A46 PolarHBondContact O-N 2.94Å; A46-S48 VanDerWaalsContact C-N 3.34Å; A46-S48 PolarHBondContact O-N 3.32Å; A46-I49 PolarHBondContact O-N 2.89Å; A46-T50 PolarHBondContact O-N 2.88Å; A46-T50 PolarHBondContact O-OG1 3.2Å; A46-T50 VanDerWaalsContact O-OG1 3.08Å
47	Q	61.1	Low	63.3	Low	116 Å²	116	93.7 Å²	93.7	54%	0.542	49%	0.491	S	S	.	.	H	α-helix	trans	-63.4	-39.4	175.7	-74.2	177.3	23.5	0	0	112.1	N43 L44 I49 T50 N51	N43-Q47 WeakPolarHBondContact O-CG 3.13Å; N43-Q47 PolarHBondContact O-N 3.22Å; L44-Q47 PolarHBondContact O-N 2.91Å; Q47-I49 VanDerWaalsContact C-N 3.25Å; Q47-I49 PolarHBondContact O-N 2.85Å; Q47-T50 PolarHBondContact O-N 3Å; Q47-N51 PolarHBondContact O-N 2.69Å; Q47-N51 PolarHBondContact O-OD1 2.91Å
48	S	54.3	Low	61.4	Low	67 Å²	67	98.1 Å²	98.1	47%	0.469	52%	0.517	S	S	.	.	H	α-helix	trans	-62.2	-34.9	175.4	-175.6	0	0	0	0	112	L44 E45 A46 M52	L44-S48 WeakPolarHBondContact O-CB 3.33Å; L44-S48 PolarHBondContact O-N 3.23Å; E45-S48 PolarHBondContact O-N 2.91Å; A46-S48 VanDerWaalsContact C-N 3.34Å; A46-S48 PolarHBondContact O-N 3.32Å; S48-M52 PolarHBondContact O-N 3.14Å
49	I	55.4	Low	59.6	Low	93 Å²	93	98.9 Å²	98.9	48%	0.477	53%	0.527	S	S	.	.	H	α-helix	trans	-71.2	-43	174.8	-65.6	162.9	0	0	0	110.2	E45 A46 Q47 N51 M52 I53	E45-I49 WeakPolarHBondContact O-CD1 2.82Å; E45-I49 VanDerWaalsContact O-CG1 3.28Å; E45-I49 WeakPolarHBondContact O-CG1 3.26Å; E45-I49 PolarHBondContact O-N 2.97Å; E45-I49 VanDerWaalsContact O-N 3.1Å; A46-I49 PolarHBondContact O-N 2.89Å; Q47-I49 VanDerWaalsContact C-N 3.25Å; Q47-I49 PolarHBondContact O-N 2.85Å; I49-N51 VanDerWaalsContact C-N 3.32Å; I49-N51 PolarHBondContact O-N 2.86Å; I49-M52 PolarHBondContact O-N 3.09Å; I49-I53 HydrophobicContact CG2-CD1 3.87Å; I49-I53 WeakPolarHBondContact O-CG1 3.49Å; I49-I53 PolarHBondContact O-N 3.34Å
50	T	55.1	Low	57.7	Low	78 Å²	78	103.4 Å²	103.4	48%	0.479	55%	0.547	S	S	.	.	H	α-helix	trans	-59.1	-41.4	176.9	-54	0	0	0	0	112.2	A46 Q47 M52 I53 T54	A46-T50 PolarHBondContact O-N 2.88Å; A46-T50 PolarHBondContact O-OG1 3.2Å; A46-T50 VanDerWaalsContact O-OG1 3.08Å; Q47-T50 PolarHBondContact O-N 3Å; T50-M52 VanDerWaalsContact C-N 3.31Å; T50-M52 PolarHBondContact O-N 3.24Å; T50-I53 PolarHBondContact O-N 3.21Å; T50-I53 VanDerWaalsContact O-N 3.14Å; T50-T54 PolarHBondContact O-N 3.09Å; T50-T54 PolarHBondContact O-OG1 2.93Å
51	N	54.9	Low	55.8	Low	111 Å²	111	108.2 Å²	108.2	59%	0.594	57%	0.573	S	S	*	*	H	α-helix	trans	-63	-36	178.2	-69.4	-3	0	0	0	112.4	Q47 I49 I53 T54 E55	Q47-N51 PolarHBondContact O-N 2.69Å; Q47-N51 PolarHBondContact O-OD1 2.91Å; I49-N51 VanDerWaalsContact C-N 3.32Å; I49-N51 PolarHBondContact O-N 2.86Å; N51-I53 VanDerWaalsContact C-N 3.34Å; N51-T54 PolarHBondContact O-N 3.42Å; N51-E55 PolarHBondContact O-N 3.19Å
52	M	55.3	Low	53.9	Low	105 Å²	105	114 Å²	114	52%	0.517	60%	0.601	S	S	.	*	H	α-helix	trans	-70.6	-29.3	175.4	-66.7	-162.5	-49	0	0	113.2	S48 I49 T50 T54	S48-M52 PolarHBondContact O-N 3.14Å; I49-M52 PolarHBondContact O-N 3.09Å; T50-M52 VanDerWaalsContact C-N 3.31Å; T50-M52 PolarHBondContact O-N 3.24Å; M52-T54 VanDerWaalsContact C-N 3.33Å
53	I	55	Low	52.2	Low	114 Å²	114	112.3 Å²	112.3	59%	0.585	60%	0.603	S	S	*	*	H	α-helix	trans	-80.8	-21.1	178.1	-59	166.1	0	0	0	110.7	I49 T50 N51	I49-I53 HydrophobicContact CG2-CD1 3.87Å; I49-I53 WeakPolarHBondContact O-CG1 3.49Å; I49-I53 PolarHBondContact O-N 3.34Å; T50-I53 PolarHBondContact O-N 3.21Å; T50-I53 VanDerWaalsContact O-N 3.14Å; N51-I53 VanDerWaalsContact C-N 3.34Å
54	T	54.8	Low	50.7	Low	101 Å²	101	115.3 Å²	115.3	62%	0.62	62%	0.619	S	S	*	*	S	Bend	trans	-88.3	-3.7	179.4	-43.3	0	0	0	0	112.6	T50 N51 M52 D56	T50-T54 PolarHBondContact O-N 3.09Å; T50-T54 PolarHBondContact O-OG1 2.93Å; N51-T54 PolarHBondContact O-N 3.42Å; M52-T54 VanDerWaalsContact C-N 3.33Å; T54-D56 PolarHBondContact O-N 3.47Å
55	E	48.5	Very low	49.5	Very low	149 Å²	149	119.8 Å²	119.8	70%	0.696	64%	0.643	S	S	*	*			trans	-74.9	46.9	164	-70.3	178.7	-168.7	0	0	110.5	N51	N51-E55 PolarHBondContact O-N 3.19Å
56	D	45.4	Very low	48.4	Very low	125 Å²	125	120.6 Å²	120.6	67%	0.668	66%	0.659	S	S	*	*			trans	-100.4	118	169.8	-103.8	-17.2	0	0	0	108.7	T54	T54-D56 PolarHBondContact O-N 3.47Å
57	L	47.5	Very low	47.6	Very low	148 Å²	148	126 Å²	126	78%	0.775	68%	0.675	S	S	*	*			trans	70.1	81	155	-58.5	161.7	0	0	0	116.9
58	N	41.9	Very low	46.5	Very low	150 Å²	150	125.7 Å²	125.7	80%	0.802	69%	0.686	S	S	*	*			trans	-115.6	100.1	131.9	-138.5	4.3	0	0	0	107.3	E60	N58-E60 PolarHBondContact O-N 3.47Å; N58-E60 VanDerWaalsContact O-N 3.09Å
59	P	41.9	Very low	45.8	Very low	103 Å²	103	127.6 Å²	127.6	67%	0.669	70%	0.699	S	S	*	*			trans	-85.4	62.4	179.8	36	-33.8	0	0	0	109.8
60	E	42.4	Very low	45	Very low	160 Å²	160	131.1 Å²	131.1	75%	0.748	71%	0.711	S	S	*	*			trans	-141.9	132.9	168.6	-71.6	-76.5	150.9	0	0	106.6	N58	N58-E60 PolarHBondContact O-N 3.47Å; N58-E60 VanDerWaalsContact O-N 3.09Å
61	D	40.4	Very low	44.4	Very low	139 Å²	139	135 Å²	135	74%	0.743	72%	0.721	S	S	*	*			trans	78.8	79.5	-179.8	-65.7	-25.8	0	0	0	118.4	S63	D61-S63 PolarHBondContact O-N 3.45Å
62	H	38.7	Very low	43.7	Very low	211 Å²	211	136.7 Å²	136.7	98%	0.977	73%	0.725	S	S	*	*			trans	-58.8	80.7	147.3	-65.3	-73.7	0	0	0	110.5
63	S	43	Very low	43.1	Very low	93 Å²	93	137.8 Å²	137.8	65%	0.65	74%	0.738	S	S	*	*			trans	-111.6	106	164.7	45.9	0	0	0	0	109.7	D61	D61-S63 PolarHBondContact O-N 3.45Å
64	D	41.4	Very low	42.8	Very low	156 Å²	156	139.4 Å²	139.4	83%	0.834	75%	0.748	S	S	*	*			trans	37.7	97.3	158.4	-62.6	-29.9	0	0	0	118.2	S66	D64-S66 PolarHBondContact O-N 3.27Å
65	L	40.4	Very low	42.3	Very low	153 Å²	153	139.4 Å²	139.4	80%	0.801	74%	0.744	S	S	*	*			trans	-55.1	71.7	165.1	-158.9	82	0	0	0	112	Q67	L65-Q67 HydrophobicContact CD2-CG 4.28Å; L65-Q67 HydrophobicContact CG-CG 4.24Å; L65-Q67 PolarHBondContact O-N 3.5Å; L65-Q67 VanDerWaalsContact O-N 3.08Å
66	S	41	Very low	42.5	Very low	108 Å²	108	134.5 Å²	134.5	76%	0.755	72%	0.724	S	S	*	*			trans	-76.4	94.7	165.3	71.5	0	0	0	0	108.8	D64 S68	D64-S66 PolarHBondContact O-N 3.27Å; S66-S68 VanDerWaalsContact C-N 3.28Å; S66-S68 PolarHBondContact O-N 3.31Å
67	Q	40.5	Very low	42.5	Very low	165 Å²	165	131.2 Å²	131.2	77%	0.771	70%	0.703	S	S	*	*			trans	-66.5	82	174.3	-64.3	-171.6	15.2	0	0	110.5	L65 S69	L65-Q67 HydrophobicContact CD2-CG 4.28Å; L65-Q67 HydrophobicContact CG-CG 4.24Å; L65-Q67 PolarHBondContact O-N 3.5Å; L65-Q67 VanDerWaalsContact O-N 3.08Å; Q67-S69 VanDerWaalsContact C-N 3.34Å; Q67-S69 PolarHBondContact O-N 3.19Å
68	S	39.4	Very low	42.5	Very low	111 Å²	111	128.4 Å²	128.4	78%	0.776	69%	0.694	S	S	*	*			trans	-92.1	78.7	159	69.5	0	0	0	0	109.2	S66 F70	S66-S68 VanDerWaalsContact C-N 3.28Å; S66-S68 PolarHBondContact O-N 3.31Å; S68-F70 PolarHBondContact O-N 3.5Å; S68-F70 VanDerWaalsContact O-N 3.07Å
69	S	39.6	Very low	42.8	Very low	106 Å²	106	127.4 Å²	127.4	74%	0.741	69%	0.689	S	S	*	*			trans	-69	97.4	169.6	-174.5	0	0	0	0	108.8	Q67	Q67-S69 VanDerWaalsContact C-N 3.34Å; Q67-S69 PolarHBondContact O-N 3.19Å
70	F	39	Very low	43.3	Very low	168 Å²	168	126.4 Å²	126.4	74%	0.737	68%	0.683	S	S	*	*			trans	-176.3	85	139.1	-117.1	-93.1	0	0	0	107.5	S68 H72	S68-F70 PolarHBondContact O-N 3.5Å; S68-F70 VanDerWaalsContact O-N 3.07Å; F70-H72 PolarHBondContact O-N 2.84Å
71	K	40.8	Very low	43.5	Very low	159 Å²	159	122.8 Å²	122.8	69%	0.691	68%	0.675	S	S	*	*			trans	-64.8	90	163.6	-71	-166.5	179.9	-174.6	0	106.8	T73	K71-T73 PolarHBondContact O-N 2.78Å
72	H	41.3	Very low	43.4	Very low	146 Å²	146	119.4 Å²	119.4	68%	0.676	67%	0.673	S	S	*	*			trans	-56.4	109.2	159.1	-80	-75.1	0	0	0	105.7	F70 L74	F70-H72 PolarHBondContact O-N 2.84Å; H72-L74 PolarHBondContact O-N 3.33Å
73	T	42.9	Very low	43.6	Very low	129 Å²	129	115.7 Å²	115.7	79%	0.791	66%	0.66	S	S	*	*			trans	-59.7	85.6	164	-50.4	0	0	0	0	106.1	K71 N75	K71-T73 PolarHBondContact O-N 2.78Å; T73-N75 VanDerWaalsContact C-N 3.3Å; T73-N75 PolarHBondContact O-N 3.31Å
74	L	48.6	Very low	43.3	Very low	148 Å²	148	118.9 Å²	118.9	78%	0.775	67%	0.67	S	S	*	*			trans	-62	99.8	173.1	-75.3	163.6	0	0	0	104.5	H72 P76	H72-L74 PolarHBondContact O-N 3.33Å; L74-P76 WeakPolarHBondContact O-CD 3.04Å
75	N	43.6	Very low	43.3	Very low	101 Å²	101	116.6 Å²	116.6	54%	0.54	67%	0.667	S	S	.	*			trans	-60.9	110.2	164.2	-144.9	4.5	0	0	0	103.9	T73 Y77	T73-N75 VanDerWaalsContact C-N 3.3Å; T73-N75 PolarHBondContact O-N 3.31Å; N75-Y77 PolarHBondContact O-N 3.04Å
76	P	52.2	Low	43.3	Very low	45 Å²	45	116.9 Å²	116.9	29%	0.292	67%	0.668	S	S	.	*	S	Bend	trans	-71.7	1.9	-166.1	26.6	-31.7	0	0	0	112.9	L44 L74 P78	L44-P76 HydrophobicContact CD1-CG 4.37Å; L74-P76 WeakPolarHBondContact O-CD 3.04Å; P76-P78 VanDerWaalsContact O-CD 3.29Å; P76-P78 WeakPolarHBondContact O-CD 3.29Å
77	Y	45.8	Very low	43.2	Very low	57 Å²	57	116.9 Å²	116.9	22%	0.224	67%	0.668	C	S	.	*	S	Bend	trans	-110.6	93.7	178.6	-72	-74.6	0	0	0	109.1	I22 C23 R24 L44 N75 D79	I22-Y77 HydrophobicContact CB-CD1 4.09Å; I22-Y77 HydrophobicContact CB-CE1 4.24Å; I22-Y77 HydrophobicContact CG2-CD1 3.15Å; I22-Y77 HydrophobicContact CG2-CD2 4.09Å; I22-Y77 HydrophobicContact CG2-CE1 3.01Å; I22-Y77 HydrophobicContact CG2-CE2 3.94Å; I22-Y77 HydrophobicContact CG2-CG 3.73Å; I22-Y77 VanDerWaalsContact CG2-CZ 3.43Å; C23-Y77 VanDerWaalsContact N-CD1 3.28Å; C23-Y77 WeakPolarHBondContact O-CD1 3.17Å; C23-Y77 VanDerWaalsContact O-CE1 3.26Å; C23-Y77 WeakPolarHBondContact O-CE1 3.47Å; R24-Y77 VanDerWaalsContact CA-CE1 3.49Å; R24-Y77 HydrophobicContact CB-CE1 4.22Å; R24-Y77 HydrophobicContact CG-CE1 3.79Å; L44-Y77 HydrophobicContact CD1-CD2 4.21Å; L44-Y77 HydrophobicContact CD1-CE2 3.75Å; N75-Y77 PolarHBondContact O-N 3.04Å; Y77-D79 PolarHBondContact O-N 3.16Å
78	P	48.4	Very low	43.2	Very low	88 Å²	88	118.4 Å²	118.4	57%	0.571	67%	0.672	S	S	*	*			trans	-57	124.1	166.2	23	-30.6	0	0	0	107.7	C23 P76 C80	C23-P78 HydrophobicContact CB-CG 4.34Å; C23-P78 WeakPolarHBondContact CB-O 3.38Å; C23-P78 PolarHBondContact SG-O 2.92Å; C23-P78 VanDerWaalsContact SG-O 3.38Å; P76-P78 VanDerWaalsContact O-CD 3.29Å; P76-P78 WeakPolarHBondContact O-CD 3.29Å; P78-C80 PolarHBondContact O-N 2.98Å
79	D	47.8	Very low	43.3	Very low	130 Å²	130	118.6 Å²	118.6	70%	0.695	67%	0.671	S	S	*	*			trans	-61.6	106.4	169.5	-83.8	-39.2	0	0	0	106.3	K37 Y77 S81	K37-D79 IonicContact NZ-OD1 2.64Å; K37-D79 PolarHBondContact NZ-OD1 3.26Å; Y77-D79 PolarHBondContact O-N 3.16Å; D79-S81 PolarHBondContact O-N 3.41Å
80	C	52.1	Low	43.5	Very low	81 Å²	81	119.8 Å²	119.8	55%	0.547	68%	0.677	S	S	.	*			trans	-64	85.3	174.2	-65.9	0	0	0	0	108.6	C23 P78 G82	C23-C80 WeakPolarHBondContact CB-SG 3.43Å; C23-C80 WeakPolarHBondContact SG-CB 3.13Å; C23-C80 CovalentContact SG-SG 2.04Å; C23-C80 PolarHBondContact SG-SG 3.45Å; P78-C80 PolarHBondContact O-N 2.98Å; C80-G82 PolarHBondContact O-N 3.33Å; C80-G82 VanDerWaalsContact O-N 3.13Å
81	S	45.7	Very low	43.6	Very low	85 Å²	85	118 Å²	118	59%	0.594	68%	0.681	S	S	*	*			trans	-69.7	106.7	166	66.6	0	0	0	0	106.3	D79 N83	D79-S81 PolarHBondContact O-N 3.41Å; S81-N83 VanDerWaalsContact C-N 3.28Å; S81-N83 PolarHBondContact O-N 2.89Å; S81-N83 PolarHBondContact O-OD1 2.94Å; S81-N83 PolarHBondContact OG-OD1 3.34Å
82	G	39.9	Very low	43.8	Very low	67 Å²	67	121.6 Å²	121.6	69%	0.691	69%	0.69	S	S	*	*			trans	-61.5	88.5	178.4	0	0	0	0	0	110.8	C80 N84	C80-G82 PolarHBondContact O-N 3.33Å; C80-G82 VanDerWaalsContact O-N 3.13Å; G82-N84 VanDerWaalsContact C-N 3.32Å; G82-N84 PolarHBondContact O-N 2.96Å
83	N	41.3	Very low	43.9	Very low	133 Å²	133	123.2 Å²	123.2	71%	0.711	70%	0.702	S	S	*	*			trans	-93	78.8	170.8	-57.5	-3.4	0	0	0	106	S81 S85	S81-N83 VanDerWaalsContact C-N 3.28Å; S81-N83 PolarHBondContact O-N 2.89Å; S81-N83 PolarHBondContact O-OD1 2.94Å; S81-N83 PolarHBondContact OG-OD1 3.34Å; N83-S85 PolarHBondContact O-N 3.35Å
84	N	38.4	Very low	44	Very low	161 Å²	161	122.3 Å²	122.3	86%	0.861	70%	0.701	S	S	*	*			trans	-64.4	87.8	164.7	-67.5	-15.3	0	0	0	107.7	G82	G82-N84 VanDerWaalsContact C-N 3.32Å; G82-N84 PolarHBondContact O-N 2.96Å
85	S	41	Very low	43.7	Very low	108 Å²	108	120.3 Å²	120.3	76%	0.755	70%	0.7	S	S	*	*			trans	-150.2	100.1	163.4	-155.8	0	0	0	0	108.9	N83	N83-S85 PolarHBondContact O-N 3.35Å
86	L	40.3	Very low	43.8	Very low	159 Å²	159	122 Å²	122	83%	0.832	71%	0.709	S	S	*	*			trans	-49.4	139.5	169.4	-73.4	98.9	0	0	0	110.9
87	S	37.6	Very low	43.4	Very low	108 Å²	108	127.6 Å²	127.6	76%	0.755	74%	0.736	S	S	*	*			trans	47.5	98.6	153.8	63.3	0	0	0	0	117.4
88	K	41.6	Very low	43.5	Very low	197 Å²	197	130.2 Å²	130.2	86%	0.857	76%	0.759	S	S	*	*			trans	-115.5	124.7	140.1	-71.3	-175.9	-178.6	179.9	0	108
89	P	41.1	Very low	43.4	Very low	115 Å²	115	131.4 Å²	131.4	75%	0.747	76%	0.76	S	S	*	*			trans	-64.9	142.1	-178	26.5	-32.2	0	0	0	110.2	T91	P89-T91 PolarHBondContact O-N 2.83Å
90	C	43.3	Very low	43.6	Very low	130 Å²	130	133.6 Å²	133.6	88%	0.878	77%	0.768	S	S	*	*			trans	-50.2	97.8	175.5	-174.9	0	0	0	0	110.5	R92	C90-R92 PolarHBondContact O-N 3.25Å
91	T	42.6	Very low	43.7	Very low	132 Å²	132	136.7 Å²	136.7	81%	0.81	77%	0.774	S	S	*	*			trans	-74.4	98.1	170.2	43.9	0	0	0	0	107.9	P89	P89-T91 PolarHBondContact O-N 2.83Å
92	R	43.6	Very low	44.7	Very low	233 Å²	233	140.5 Å²	140.5	88%	0.879	78%	0.783	S	S	*	*			trans	19.7	113	148	-71.8	-179.4	157.5	-175.3	-6.8	115.2	C90 S94	C90-R92 PolarHBondContact O-N 3.25Å; R92-S94 PolarHBondContact O-N 2.64Å
93	L	44.2	Very low	46	Very low	180 Å²	180	144.7 Å²	144.7	94%	0.942	79%	0.788	S	S	*	*			trans	-29.4	96.3	158.6	-59.7	166.7	0	0	0	111.2	S95	L93-S95 PolarHBondContact O-N 3.49Å
94	S	45.8	Very low	47.4	Very low	110 Å²	110	144.7 Å²	144.7	77%	0.769	79%	0.786	S	S	*	*			trans	-81.8	105.2	165	-179.2	0	0	0	0	106.3	R92 N96	R92-S94 PolarHBondContact O-N 2.64Å; S94-N96 VanDerWaalsContact C-N 3.32Å; S94-N96 PolarHBondContact O-N 3.43Å
95	S	41.2	Very low	49.3	Very low	106 Å²	106	145.9 Å²	145.9	74%	0.741	78%	0.784	S	S	*	*			trans	-68.8	90.8	170	58.8	0	0	0	0	108.1	L93	L93-S95 PolarHBondContact O-N 3.49Å
96	N	46.5	Very low	51.1	Low	138 Å²	138	150.4 Å²	150.4	74%	0.738	79%	0.79	S	S	*	*			trans	-168.9	91.7	154.2	-87.3	-24.8	0	0	0	107.8	S94 T98	S94-N96 VanDerWaalsContact C-N 3.32Å; S94-N96 PolarHBondContact O-N 3.43Å; N96-T98 PolarHBondContact O-N 3.02Å
97	N	44.1	Very low	53.1	Low	162 Å²	162	148.7 Å²	148.7	87%	0.866	79%	0.786	S	S	*	*			trans	-81.7	26.7	-173.1	54.9	-3.3	0	0	0	114	N99	N97-N99 VanDerWaalsContact C-N 3.26Å; N97-N99 PolarHBondContact O-N 3.43Å
98	T	46.3	Very low	55.2	Low	112 Å²	112	149.3 Å²	149.3	69%	0.687	79%	0.787	S	S	*	*			trans	-81.2	77.8	174.7	31.5	0	0	0	0	110.7	N96 M100	N96-T98 PolarHBondContact O-N 3.02Å; T98-M100 PolarHBondContact O-N 3.05Å
99	N	47.3	Very low	56.9	Low	113 Å²	113	151.4 Å²	151.4	60%	0.604	79%	0.79	S	S	*	*			trans	35.4	57.2	144.1	-156.9	9.8	0	0	0	116.4	N97 H101	N97-N99 VanDerWaalsContact C-N 3.26Å; N97-N99 PolarHBondContact O-N 3.43Å; N99-H101 VanDerWaalsContact CG-CD2 3.49Å; N99-H101 PolarHBondContact ND2-CD2 3.45Å; N99-H101 VanDerWaalsContact ND2-CD2 3.34Å; N99-H101 PolarHBondContact ND2-NE2 2.93Å; N99-H101 PolarHBondContact O-N 3.36Å; N99-H101 PolarHBondContact OD1-CD2 3.41Å; N99-H101 PolarHBondContact OD1-CE1 3.36Å; N99-H101 PolarHBondContact OD1-ND1 2.89Å; N99-H101 PolarHBondContact OD1-NE2 3.1Å
100	M	52.4	Low	58.9	Low	175 Å²	175	155.9 Å²	155.9	86%	0.862	80%	0.798	S	S	*	*			trans	-73.9	75.2	167.6	-66	-68.6	-84.4	0	0	107.9	T98 Q102	T98-M100 PolarHBondContact O-N 3.05Å; M100-Q102 PolarHBondContact O-N 3.08Å
101	H	54.4	Low	60.7	Low	146 Å²	146	159.5 Å²	159.5	68%	0.676	80%	0.798	S	S	*	*			trans	-58	94.5	163.7	-76.1	-54.8	0	0	0	107.5	N99 I103	N99-H101 VanDerWaalsContact CG-CD2 3.49Å; N99-H101 PolarHBondContact ND2-CD2 3.45Å; N99-H101 VanDerWaalsContact ND2-CD2 3.34Å; N99-H101 PolarHBondContact ND2-NE2 2.93Å; N99-H101 PolarHBondContact O-N 3.36Å; N99-H101 PolarHBondContact OD1-CD2 3.41Å; N99-H101 PolarHBondContact OD1-CE1 3.36Å; N99-H101 PolarHBondContact OD1-ND1 2.89Å; N99-H101 PolarHBondContact OD1-NE2 3.1Å; H101-I103 PolarHBondContact O-N 2.96Å
102	Q	66	Low	62.4	Low	165 Å²	165	164.1 Å²	164.1	77%	0.771	80%	0.801	S	S	*	*			trans	-62	101.7	170.9	-82.2	-174.7	13.5	0	0	107.7	M100 I104	M100-Q102 PolarHBondContact O-N 3.08Å; Q102-I104 HydrophobicContact CB-CG1 4.4Å; Q102-I104 PolarHBondContact O-N 3.19Å
103	I	68.1	Low	64.1	Low	155 Å²	155	164.4 Å²	164.4	80%	0.795	80%	0.802	S	S	*	*			trans	-70.4	89.6	168.7	-57.8	174.9	0	0	0	106.5	H101 K105	H101-I103 PolarHBondContact O-N 2.96Å; I103-K105 PolarHBondContact O-N 3.3Å; I103-K105 VanDerWaalsContact O-N 3.1Å
104	I	70.5	Confident	65.8	Low	134 Å²	134	165.5 Å²	165.5	69%	0.687	80%	0.799	S	S	*	*			trans	-71	106	173	-57.7	174.2	0	0	0	107.1	Q102 K106	Q102-I104 HydrophobicContact CB-CG1 4.4Å; Q102-I104 PolarHBondContact O-N 3.19Å; I104-K106 PolarHBondContact O-N 3.18Å
105	K	77.1	Confident	67.2	Low	185 Å²	185	165.2 Å²	165.2	80%	0.804	80%	0.797	S	S	*	*			trans	-57.5	114.7	171.9	-71.1	-174.9	179.5	179.3	0	108.8	I103 V107	I103-K105 PolarHBondContact O-N 3.3Å; I103-K105 VanDerWaalsContact O-N 3.1Å; K105-V107 PolarHBondContact O-N 3.35Å
106	K	80.1	Confident	69.1	Low	203 Å²	203	169.2 Å²	169.2	88%	0.883	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-67.2	116.7	177.6	-73.7	-180	-180	172.6	0	109.6	I104	I104-K106 PolarHBondContact O-N 3.18Å
107	V	81.2	Confident	70.4	Confident	124 Å²	124	170.2 Å²	170.2	75%	0.752	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-75.2	131.6	173.3	-178.7	0	0	0	0	109.8	K105 R109	K105-V107 PolarHBondContact O-N 3.35Å; V107-R109 PolarHBondContact O-N 2.79Å
108	P	80.9	Confident	71.5	Confident	121 Å²	121	170.1 Å²	170.1	79%	0.786	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-59.1	127.3	175.6	-23	32.5	0	0	0	111.9
109	R	78.4	Confident	72.4	Confident	240 Å²	240	169.1 Å²	169.1	91%	0.906	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-82.1	129.2	175.4	-65.2	-176.3	179	123.1	-2.3	110	V107 K111	V107-R109 PolarHBondContact O-N 2.79Å; R109-K111 PolarHBondContact O-N 3.13Å
110	K	82.4	Confident	73.2	Confident	210 Å²	210	172 Å²	172	91%	0.913	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-60	133.4	171.4	-68.2	-174.7	178.7	-179.7	0	110
111	K	81.7	Confident	73.5	Confident	206 Å²	206	172.2 Å²	172.2	90%	0.896	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-68.9	132.6	176.6	-67.4	-173.5	-180	179.2	0	110.2	R109	R109-K111 PolarHBondContact O-N 3.13Å
112	R	78.9	Confident	73.8	Confident	228 Å²	228	172 Å²	172	86%	0.86	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-76.1	125.8	174.7	-166.9	175.2	79.7	151.3	4	110
113	R	78.5	Confident	73.3	Confident	240 Å²	240	174.9 Å²	174.9	91%	0.906	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-65.4	132.2	170.5	-68.6	-166.9	176.8	-173.3	0	109.6
114	K	79.3	Confident	72.6	Confident	203 Å²	203	173.1 Å²	173.1	88%	0.883	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-85.7	116.8	172.1	-66.6	-167.5	180	-178.1	0	108.4
115	S	76.7	Confident	71.9	Confident	104 Å²	104	174.3 Å²	174.3	73%	0.727	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-80.6	133.3	167	53.7	0	0	0	0	109.3
116	K	79.9	Confident	70.9	Confident	190 Å²	190	171.8 Å²	171.8	83%	0.826	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-81.7	118	172.5	-147.9	163	-174.6	176.5	0	107.3	H118	K116-H118 PolarHBondContact O-N 2.74Å
117	L	73.6	Confident	69.5	Low	158 Å²	158	167.9 Å²	167.9	83%	0.827	79%	0.789	S	S	*	*			trans	-75.7	113.5	175	-66.7	173.7	0	0	0	107.9	S119	L117-S119 PolarHBondContact O-N 2.91Å; L117-S119 VanDerWaalsContact O-N 3.16Å
118	H	68.1	Low	68.1	Low	161 Å²	161	169.9 Å²	169.9	75%	0.745	79%	0.788	S	S	*	*			trans	-76	95.8	167.9	-77.1	-72.2	0	0	0	108.3	K116 H120	K116-H118 PolarHBondContact O-N 2.74Å; H118-H120 PolarHBondContact O-N 2.04Å
119	S	65.3	Low	66.7	Low	91 Å²	91	167.5 Å²	167.5	64%	0.636	77%	0.774	S	S	*	*			trans	-79.2	98.2	167.1	68.3	0	0	0	0	108.4	L117 F121	L117-S119 PolarHBondContact O-N 2.91Å; L117-S119 VanDerWaalsContact O-N 3.16Å; S119-F121 PolarHBondContact O-N 3.38Å
120	H	63.7	Low	65.4	Low	172 Å²	172	160.4 Å²	160.4	80%	0.796	76%	0.757	S	S	*	*			trans	-72.5	86.7	159.8	-71	-78.1	0	0	0	107.2	H118 N122	H118-H120 PolarHBondContact O-N 2.04Å; H120-N122 PolarHBondContact O-N 2.79Å
121	F	58.9	Low	64	Low	180 Å²	180	156.1 Å²	156.1	79%	0.789	74%	0.744	S	S	*	*			trans	-67.8	93.1	163.5	-108.3	-86.8	0	0	0	106.3	S119 R123	S119-F121 PolarHBondContact O-N 3.38Å; F121-R123 VanDerWaalsContact C-N 3.33Å; F121-R123 PolarHBondContact O-N 3.12Å
122	N	60.4	Low	62.4	Low	142 Å²	142	152.2 Å²	152.2	76%	0.759	73%	0.732	S	S	*	*			trans	-62.3	104.9	163.7	-119.9	-2.5	0	0	0	105.7	H120 N124	H120-N122 PolarHBondContact O-N 2.79Å; N122-N124 PolarHBondContact O-N 2.64Å
123	R	54.8	Low	60.9	Low	225 Å²	225	145 Å²	145	85%	0.849	72%	0.716	S	S	*	*			trans	-63	96.4	169.8	-71.9	179.7	178.8	160	-0.9	105.4	F121 E125	F121-R123 VanDerWaalsContact C-N 3.33Å; F121-R123 PolarHBondContact O-N 3.12Å; R123-E125 PolarHBondContact O-N 3.18Å
124	N	53.8	Low	59.5	Low	118 Å²	118	139.8 Å²	139.8	63%	0.631	70%	0.704	S	S	*	*			trans	-63.9	85.7	170.9	-92.3	-22.2	0	0	0	107.6	N122 N126 L127	N122-N124 PolarHBondContact O-N 2.64Å; N124-N126 PolarHBondContact O-N 2.89Å; N124-N126 VanDerWaalsContact O-N 3.16Å; N124-L127 PolarHBondContact O-N 3.06Å
125	E	56	Low	58	Low	160 Å²	160	137.4 Å²	137.4	75%	0.748	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.6	-24.1	177.2	-77.9	-176.6	151	0	0	112.1	R123 L127 K128	R123-E125 PolarHBondContact O-N 3.18Å; E125-L127 PolarHBondContact O-N 3.1Å; E125-L127 VanDerWaalsContact O-N 3.13Å; E125-K128 PolarHBondContact O-N 2.89Å
126	N	55.6	Low	56.6	Low	132 Å²	132	137.6 Å²	137.6	71%	0.706	69%	0.693	S	S	*	*	H	α-helix	trans	-64.1	-16.5	179.9	-73.2	-8.9	0	0	0	115	N124 S129	N124-N126 PolarHBondContact O-N 2.89Å; N124-N126 VanDerWaalsContact O-N 3.16Å; N126-S129 PolarHBondContact O-OG 3.48Å
127	L	52.4	Low	54.9	Low	120 Å²	120	135.2 Å²	135.2	63%	0.628	69%	0.689	S	S	*	*	H	α-helix	trans	-82.2	-18.3	177.9	-66	179.7	0	0	0	113.3	N124 E125	N124-L127 PolarHBondContact O-N 3.06Å; E125-L127 PolarHBondContact O-N 3.1Å; E125-L127 VanDerWaalsContact O-N 3.13Å
128	K	51	Low	53.5	Low	167 Å²	167	134.7 Å²	134.7	73%	0.726	69%	0.686	S	S	*	*	H	α-helix	trans	-69.2	-36.1	177.8	-80.7	-171.2	174.1	-173.5	0	112.2	E125 T130 L131	E125-K128 PolarHBondContact O-N 2.89Å; K128-T130 VanDerWaalsContact C-N 3.34Å; K128-T130 PolarHBondContact O-N 3.38Å; K128-L131 PolarHBondContact O-N 3.48Å
129	S	52	Low	52.2	Low	71 Å²	71	136.8 Å²	136.8	50%	0.497	69%	0.692	S	S	.	*	H	α-helix	trans	-70.1	-29.5	-178.5	51.5	0	0	0	0	113.2	N126 L131 S133	N126-S129 PolarHBondContact O-OG 3.48Å; S129-L131 VanDerWaalsContact C-N 3.32Å; S129-L131 PolarHBondContact O-N 3.4Å; S129-S133 PolarHBondContact O-N 3.37Å; S129-S133 PolarHBondContact O-OG 3.03Å
130	T	51.3	Low	50.9	Low	90 Å²	90	135.5 Å²	135.5	55%	0.552	69%	0.694	S	S	*	*	H	α-helix	trans	-67.5	-32.2	180	-48.6	0	0	0	0	112.3	K128	K128-T130 VanDerWaalsContact C-N 3.34Å; K128-T130 PolarHBondContact O-N 3.38Å
131	L	51.2	Low	49.8	Very low	120 Å²	120	134.2 Å²	134.2	63%	0.628	69%	0.688	S	S	*	*	H	α-helix	trans	-77.8	-40.1	178	-68.2	177.7	0	0	0	112.5	K128 S129 S133 M134	K128-L131 PolarHBondContact O-N 3.48Å; S129-L131 VanDerWaalsContact C-N 3.32Å; S129-L131 PolarHBondContact O-N 3.4Å; L131-S133 PolarHBondContact O-N 2.95Å; L131-M134 HydrophobicContact CD2-CE 4.41Å; L131-M134 PolarHBondContact O-N 3.19Å
132	L	48.4	Very low	49.1	Very low	125 Å²	125	131.9 Å²	131.9	65%	0.654	69%	0.694	S	S	*	*	H	α-helix	trans	-66.8	-26	180	-102.4	86.2	0	0	0	113.4	M134 E135	L132-M134 PolarHBondContact O-N 3.42Å; L132-E135 PolarHBondContact O-N 3.39Å
133	S	48.8	Very low	48.4	Very low	75 Å²	75	132.8 Å²	132.8	52%	0.524	69%	0.687	S	S	.	*	T	Hydrogen-bonded Turn	trans	-69.8	-16.4	-178.7	-49.1	0	0	0	0	113.2	S129 L131	S129-S133 PolarHBondContact O-N 3.37Å; S129-S133 PolarHBondContact O-OG 3.03Å; L131-S133 PolarHBondContact O-N 2.95Å
134	M	48.9	Very low	47.7	Very low	131 Å²	131	125 Å²	125	65%	0.645	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.3	-18.8	-178.7	-60.5	-164.2	-50.7	0	0	113.4	L131 L132	L131-M134 HydrophobicContact CD2-CE 4.41Å; L131-M134 PolarHBondContact O-N 3.19Å; L132-M134 PolarHBondContact O-N 3.42Å
135	E	48.2	Very low	47.2	Very low	153 Å²	153	126 Å²	126	72%	0.715	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.1	-21.6	-177.1	-76.5	-175.4	167.7	0	0	113.2	L132	L132-E135 PolarHBondContact O-N 3.39Å
136	T	45.7	Very low	46.6	Very low	108 Å²	108	126.7 Å²	126.7	66%	0.663	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.4	-9.5	-174.1	45.4	0	0	0	0	115.6
137	D	44.2	Very low	46.1	Very low	140 Å²	140	128.1 Å²	128.1	75%	0.749	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.1	5.5	-175.9	-71.7	-8	0	0	0	114.3	K139	D137-K139 VanDerWaalsContact C-N 3.33Å
138	I	44.7	Very low	46	Very low	147 Å²	147	127 Å²	127	75%	0.754	69%	0.69	S	S	*	*	S	Bend	trans	-85.7	-6.4	-178.4	-46.8	179.5	0	0	0	112.2	G140	I138-G140 PolarHBondContact O-N 3.14Å
139	K	40.3	Very low	45.7	Very low	205 Å²	205	126.7 Å²	126.7	89%	0.891	69%	0.693	S	S	*	*	S	Bend	trans	-97.4	90	173.3	-78.9	-169.2	176.7	-177.1	0	111.5	D137	D137-K139 VanDerWaalsContact C-N 3.33Å
140	G	38.6	Very low	45.5	Very low	65 Å²	65	128.1 Å²	128.1	67%	0.67	70%	0.699	S	S	*	*	S	Bend	trans	91.9	90	155	0	0	0	0	0	114.1	I138	I138-G140 PolarHBondContact O-N 3.14Å
141	E	41.6	Very low	45.2	Very low	144 Å²	144	134.1 Å²	134.1	67%	0.673	71%	0.711	S	S	*	*				177.4	103.6	120	-96.9	-175.8	-155.6	0	0	106.2	R143	E141-R143 HydrophobicContact CB-CG 4.4Å; E141-R143 PolarHBondContact O-N 2.82Å; E141-R143 IonicContact OE2-CZ 3.63Å; E141-R143 IonicContact OE2-NE 2.83Å; E141-R143 PolarHBondContact OE2-NE 3.2Å; E141-R143 IonicContact OE2-NH2 3.7Å
142	S	43.4	Very low	45	Very low	131 Å²	131	136.6 Å²	136.6	92%	0.916	72%	0.717	S	S	*	*			trans	-68.7	66.4	168.2	61.7	0	0	0	0	109.3
143	R	45	Very low	45	Very low	162 Å²	162	134.3 Å²	134.3	61%	0.611	71%	0.712	S	S	*	*			trans	-86	125.4	166	-73.8	-168.2	-175.1	-137.9	-5.4	107.1	E141	E141-R143 HydrophobicContact CB-CG 4.4Å; E141-R143 PolarHBondContact O-N 2.82Å; E141-R143 IonicContact OE2-CZ 3.63Å; E141-R143 IonicContact OE2-NE 2.83Å; E141-R143 PolarHBondContact OE2-NE 3.2Å; E141-R143 IonicContact OE2-NH2 3.7Å
144	G	40.2	Very low	45	Very low	61 Å²	61	135.4 Å²	135.4	63%	0.629	73%	0.725	S	S	*	*			trans	-41.5	142.1	-168.8	0	0	0	0	0	113.4	Q146	G144-Q146 PolarHBondContact O-N 3.21Å
145	N	44	Very low	45	Very low	138 Å²	138	135.6 Å²	135.6	74%	0.738	73%	0.729	S	S	*	*			trans	-42.7	75.5	169.6	179.7	31.4	0	0	0	112	Q147	N145-Q147 PolarHBondContact O-N 2.9Å
146	Q	43.6	Very low	45	Very low	175 Å²	175	135.8 Å²	135.8	82%	0.818	73%	0.73	S	S	*	*			trans	-73.8	90.1	164.2	-69.1	-178.5	18.2	0	0	104	G144 S148	G144-Q146 PolarHBondContact O-N 3.21Å; Q146-S148 PolarHBondContact O-N 2.99Å
147	Q	45.5	Very low	45	Very low	162 Å²	162	135.4 Å²	135.4	76%	0.757	73%	0.732	S	S	*	*			trans	-59.8	87.9	160.9	-68.3	-175.4	-12.9	0	0	106.1	N145 M149	N145-Q147 PolarHBondContact O-N 2.9Å; Q147-M149 PolarHBondContact O-N 3.47Å
148	S	48.6	Very low	45	Very low	98 Å²	98	132.8 Å²	132.8	69%	0.685	73%	0.73	S	S	*	*			trans	-66.2	95.9	167.7	70.2	0	0	0	0	104.8	Q146 V150	Q146-S148 PolarHBondContact O-N 2.99Å; S148-V150 VanDerWaalsContact C-N 3.28Å; S148-V150 PolarHBondContact O-N 3.22Å
149	M	44.7	Very low	44.7	Very low	160 Å²	160	134.5 Å²	134.5	79%	0.788	73%	0.732	S	S	*	*			trans	-58.2	103.4	166.5	-170.9	-175	-47.6	0	0	105.2	Q147 R151	Q147-M149 PolarHBondContact O-N 3.47Å; M149-R151 PolarHBondContact O-N 2.96Å
150	V	49.8	Very low	44.6	Very low	101 Å²	101	129.7 Å²	129.7	61%	0.612	72%	0.72	S	S	*	*			trans	-64.1	89.4	173.6	179.1	0	0	0	0	105.5	S148 F152	S148-V150 VanDerWaalsContact C-N 3.28Å; S148-V150 PolarHBondContact O-N 3.22Å; V150-F152 HydrophobicContact CG1-CE2 4.46Å; V150-F152 HydrophobicContact CG1-CZ 4.39Å; V150-F152 PolarHBondContact O-N 3.35Å
151	R	43.5	Very low	44.9	Very low	216 Å²	216	133.6 Å²	133.6	82%	0.815	73%	0.725	S	S	*	*			trans	-65.4	106.1	165.5	-94.7	-173	170.7	-170.3	-2.1	105.1	M149 S153	M149-R151 PolarHBondContact O-N 2.96Å; R151-S153 VanDerWaalsContact C-N 3.28Å; R151-S153 PolarHBondContact O-N 2.87Å
152	F	46.7	Very low	44.9	Very low	171 Å²	171	131 Å²	131	75%	0.75	72%	0.723	S	S	*	*			trans	-62.1	99	163.1	-67.6	-83.8	0	0	0	106.6	V150 A154	V150-F152 HydrophobicContact CG1-CE2 4.46Å; V150-F152 HydrophobicContact CG1-CZ 4.39Å; V150-F152 PolarHBondContact O-N 3.35Å; F152-A154 PolarHBondContact O-N 2.88Å; F152-A154 VanDerWaalsContact O-N 3.14Å
153	S	48.6	Very low	44.8	Very low	78 Å²	78	133 Å²	133	55%	0.545	72%	0.723	S	S	.	*			trans	-56.4	120.2	167.2	-42.9	0	0	0	0	106.8	R151 D155	R151-S153 VanDerWaalsContact C-N 3.28Å; R151-S153 PolarHBondContact O-N 2.87Å; S153-D155 PolarHBondContact O-N 2.69Å
154	A	48.8	Very low	44.3	Very low	98 Å²	98	128.9 Å²	128.9	81%	0.81	73%	0.731	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.2	-4	177.1	0	0	0	0	0	112.7	F152 Q156	F152-A154 PolarHBondContact O-N 2.88Å; F152-A154 VanDerWaalsContact O-N 3.14Å; A154-Q156 PolarHBondContact O-N 2.95Å
155	D	50.1	Low	44.2	Very low	134 Å²	134	133.7 Å²	133.7	72%	0.717	74%	0.739	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.1	12.3	-175.7	-57.1	-26.9	0	0	0	114.4	S153 S157	S153-D155 PolarHBondContact O-N 2.69Å; D155-S157 PolarHBondContact O-N 2.82Å
156	Q	47.7	Very low	44	Very low	157 Å²	157	138.2 Å²	138.2	73%	0.734	75%	0.746	S	S	*	*	G	3₁₀ helix	trans	-75.8	22.4	173	-69.6	-166.1	60.1	0	0	114.1	A154 A158	A154-Q156 PolarHBondContact O-N 2.95Å; Q156-A158 PolarHBondContact O-N 3.5Å
157	S	45.7	Very low	44.1	Very low	101 Å²	101	136.9 Å²	136.9	71%	0.706	74%	0.743	S	S	*	*	G	3₁₀ helix	trans	-69.1	-3.3	171.1	59.2	0	0	0	0	113.7	D155	D155-S157 PolarHBondContact O-N 2.82Å
158	A	44.1	Very low	43.9	Very low	85 Å²	85	137.5 Å²	137.5	70%	0.702	75%	0.746	S	S	*	*	G	3₁₀ helix	trans	-94.1	-7.8	-176.8	0	0	0	0	0	116.2	Q156 V160	Q156-A158 PolarHBondContact O-N 3.5Å; A158-V160 PolarHBondContact O-N 3.38Å
159	F	38.7	Very low	43.7	Very low	183 Å²	183	142.7 Å²	142.7	80%	0.803	76%	0.756	S	S	*	*			trans	-85.9	49.8	175.1	-119.4	-90.9	0	0	0	112.2
160	V	38.8	Very low	43.8	Very low	104 Å²	104	139.8 Å²	139.8	63%	0.63	75%	0.751	S	S	*	*			trans	-95.5	107	169.3	178.1	0	0	0	0	107.8	A158	A158-V160 PolarHBondContact O-N 3.38Å
161	N	43.9	Very low	43.5	Very low	146 Å²	146	144.6 Å²	144.6	78%	0.781	76%	0.764	S	S	*	*			trans	63.5	48.3	146.2	-56.4	-22.3	0	0	0	120.1	N163	N161-N163 PolarHBondContact O-N 2.9Å
162	S	41.4	Very low	43.8	Very low	90 Å²	90	142.1 Å²	142.1	63%	0.629	77%	0.766	S	S	*	*			trans	-90.7	82.3	152.3	63.3	0	0	0	0	110.2	G164	S162-G164 VanDerWaalsContact C-N 3.34Å; S162-G164 PolarHBondContact O-N 2.8Å
163	N	41	Very low	43.5	Very low	173 Å²	173	143.6 Å²	143.6	93%	0.925	77%	0.772	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.1	103.2	153.7	-86	-12.5	0	0	0	107.1	N161	N161-N163 PolarHBondContact O-N 2.9Å
164	G	35.8	Very low	43	Very low	76 Å²	76	146.4 Å²	146.4	78%	0.784	79%	0.786	S	S	*	*	T	Hydrogen-bonded Turn	trans	106.5	31.7	156.1	0	0	0	0	0	119	S162	S162-G164 VanDerWaalsContact C-N 3.34Å; S162-G164 PolarHBondContact O-N 2.8Å
165	M	36.9	Very low	42.6	Very low	161 Å²	161	147.3 Å²	147.3	79%	0.793	79%	0.786	S	S	*	*			trans	-111.3	110.1	160.3	-90.8	-159.5	70.8	0	0	112.5	I167	M165-I167 PolarHBondContact O-N 2.85Å
166	R	39.7	Very low	41.7	Very low	234 Å²	234	149.5 Å²	149.5	88%	0.883	79%	0.793	S	S	*	*			trans	-53.2	101.5	169.6	-163.2	-178.1	-158.6	-157.4	5.7	108.8	Q168	R166-Q168 PolarHBondContact O-N 3.01Å
167	I	45.5	Very low	41.1	Very low	147 Å²	147	148.8 Å²	148.8	75%	0.754	79%	0.794	S	S	*	*			trans	-64.5	107.6	174.6	-58.8	175.3	0	0	0	107.3	M165 K169	M165-I167 PolarHBondContact O-N 2.85Å; I167-K169 PolarHBondContact O-N 3.04Å
168	Q	41.3	Very low	41	Very low	174 Å²	174	152.4 Å²	152.4	81%	0.813	80%	0.8	S	S	*	*			trans	-66.8	123.5	173.2	-69.4	-177.4	5	0	0	108.3	R166 S170	R166-Q168 PolarHBondContact O-N 3.01Å; Q168-S170 PolarHBondContact O-N 3.17Å
169	K	44.3	Very low	40.6	Very low	208 Å²	208	158.1 Å²	158.1	90%	0.904	81%	0.811	S	S	*	*			trans	-66.4	100.7	175.5	-63.4	-177.9	178.1	-176.1	0	108.9	I167	I167-K169 PolarHBondContact O-N 3.04Å
170	S	47.5	Very low	40.7	Very low	98 Å²	98	153.2 Å²	153.2	69%	0.685	80%	0.8	S	S	*	*			trans	-72.7	127.6	166.7	53.6	0	0	0	0	109.5	Q168 L172	Q168-S170 PolarHBondContact O-N 3.17Å; S170-L172 PolarHBondContact O-N 3.43Å; S170-L172 VanDerWaalsContact O-N 3.12Å
171	K	44.1	Very low	40.8	Very low	203 Å²	203	158 Å²	158	88%	0.883	81%	0.812	S	S	*	*			trans	-67.9	101.9	172.3	-62.4	-179.9	-179.4	-179.1	0	108.4	K173	K171-K173 PolarHBondContact O-N 3.13Å
172	L	48.5	Very low	40.9	Very low	164 Å²	164	157 Å²	157	86%	0.859	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-72.3	124.7	172.5	-78	165.1	0	0	0	109	S170	S170-L172 PolarHBondContact O-N 3.43Å; S170-L172 VanDerWaalsContact O-N 3.12Å
173	K	42.1	Very low	41	Very low	202 Å²	202	159.1 Å²	159.1	88%	0.878	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-75.1	139	177.9	-70.9	-179.4	176.4	-179.4	0	110.1	K171	K171-K173 PolarHBondContact O-N 3.13Å
174	T	36.1	Very low	41.2	Very low	137 Å²	137	158.2 Å²	158.2	84%	0.84	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-57.2	123.5	174.6	-41.2	0	0	0	0	111.7
175	S	40.8	Very low	41.5	Very low	116 Å²	116	161.3 Å²	161.3	81%	0.811	80%	0.804	S	S	*	*			trans	-103.1	104.2	161.9	56.8	0	0	0	0	108.7
176	Q	31.5	Very low	41.6	Very low	181 Å²	181	162.4 Å²	162.4	85%	0.846	81%	0.807	S	S	*	*			trans	-63.5	162.3	157.9	-87.5	-179.3	-38.5	0	0	109.6
177	N	36	Very low	41.8	Very low	142 Å²	142	158.4 Å²	158.4	76%	0.759	80%	0.801	S	S	*	*			trans	104.6	102.9	152.6	-148.4	-2.5	0	0	0	115.2
178	Q	42.3	Very low	41.7	Very low	177 Å²	177	160.7 Å²	160.7	83%	0.827	81%	0.806	S	S	*	*				174.8	109.6	109	-88.6	174.3	54	0	0	110	S180	Q178-S180 PolarHBondContact O-N 3.34Å
179	Q	35.6	Very low	42.1	Very low	204 Å²	204	160.5 Å²	160.5	95%	0.953	81%	0.805	S	S	*	*			trans	-74.8	100.7	167.1	-83.5	166.9	-33.3	0	0	108.6
180	S	40.9	Very low	42.3	Very low	81 Å²	81	160 Å²	160	57%	0.566	80%	0.803	S	S	*	*			trans	-89.2	122.9	165.8	60.7	0	0	0	0	109.4	Q178 I182	Q178-S180 PolarHBondContact O-N 3.34Å; S180-I182 PolarHBondContact O-N 3.07Å
181	K	41.3	Very low	42.3	Very low	204 Å²	204	165.8 Å²	165.8	89%	0.887	81%	0.81	S	S	*	*			trans	-57.6	127.1	166.5	-67	179.6	177.2	-177.8	0	108.5
182	I	45.6	Very low	42.6	Very low	124 Å²	124	161.8 Å²	161.8	64%	0.636	80%	0.804	S	S	*	*			trans	-106.5	113.4	176.7	-63	169.6	0	0	0	105.8	S180	S180-I182 PolarHBondContact O-N 3.07Å
183	D	43.4	Very low	42.7	Very low	135 Å²	135	159.3 Å²	159.3	72%	0.722	80%	0.8	S	S	*	*			trans	-69.5	140.3	173.9	-67.9	-45.3	0	0	0	110.9	N185	D183-N185 VanDerWaalsContact C-N 3.33Å; D183-N185 PolarHBondContact O-N 3.37Å
184	D	45.6	Very low	42.9	Very low	155 Å²	155	154.9 Å²	154.9	83%	0.829	80%	0.795	S	S	*	*			trans	-68.5	76.1	-176.5	-73.5	-40.3	0	0	0	112.8	H186	D184-H186 PolarHBondContact O-N 2.9Å
185	N	42.5	Very low	43.1	Very low	140 Å²	140	155 Å²	155	75%	0.749	79%	0.789	S	S	*	*			trans	-76.5	111.1	172.3	-84.7	-37.1	0	0	0	111.4	D183 I187	D183-N185 VanDerWaalsContact C-N 3.33Å; D183-N185 PolarHBondContact O-N 3.37Å; N185-I187 PolarHBondContact O-N 2.91Å
186	H	39.2	Very low	43.4	Very low	184 Å²	184	158.8 Å²	158.8	85%	0.852	79%	0.791	S	S	*	*			trans	-61.5	92.5	170.8	-79.3	28.6	0	0	0	111.7	D184 K188	D184-H186 PolarHBondContact O-N 2.9Å; H186-K188 PolarHBondContact O-N 2.85Å
187	I	44.3	Very low	43.9	Very low	151 Å²	151	157.1 Å²	157.1	77%	0.774	79%	0.786	S	S	*	*			trans	-89.1	108.3	173.5	-60.3	173.4	0	0	0	108.9	N185 E189	N185-I187 PolarHBondContact O-N 2.91Å; I187-E189 PolarHBondContact O-N 3.08Å
188	K	43.9	Very low	44.3	Very low	194 Å²	194	155.8 Å²	155.8	84%	0.843	78%	0.783	S	S	*	*			trans	-65.5	110.6	171.2	-70.9	-178.6	177.7	179.2	0	109.7	H186 K190	H186-K188 PolarHBondContact O-N 2.85Å; K188-K190 PolarHBondContact O-N 2.75Å; K188-K190 VanDerWaalsContact O-N 3.15Å
189	E	49.2	Very low	44.4	Very low	171 Å²	171	154.5 Å²	154.5	80%	0.799	78%	0.782	S	S	*	*			trans	-60.6	110.3	172	-80.7	-169.5	151.1	0	0	111	I187	I187-E189 PolarHBondContact O-N 3.08Å
190	K	47.7	Very low	44.8	Very low	198 Å²	198	149.4 Å²	149.4	86%	0.861	77%	0.769	S	S	*	*			trans	-86.2	103.3	161.4	-69.3	-166.2	178.5	-175.5	0	108.1	K188 P192	K188-K190 PolarHBondContact O-N 2.75Å; K188-K190 VanDerWaalsContact O-N 3.15Å; K190-P192 WeakPolarHBondContact O-CD 3.47Å
191	R	48.3	Very low	45.1	Very low	219 Å²	219	154.5 Å²	154.5	83%	0.826	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-61	124.7	169.1	-105.3	-175.3	174.5	96.1	-1.7	109	S193	R191-S193 PolarHBondContact O-N 3.09Å
192	P	49.8	Very low	45.5	Very low	118 Å²	118	155.5 Å²	155.5	77%	0.766	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-66.1	128.1	171.6	24.9	-29.9	0	0	0	109.4	K190	K190-P192 WeakPolarHBondContact O-CD 3.47Å
193	S	50.9	Low	45.7	Very low	112 Å²	112	153.7 Å²	153.7	78%	0.783	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-61.2	144.6	173.7	38.3	0	0	0	0	110.7	R191 I195	R191-S193 PolarHBondContact O-N 3.09Å; S193-I195 PolarHBondContact O-N 3.03Å
194	S	45.1	Very low	45.9	Very low	110 Å²	110	153.1 Å²	153.1	77%	0.769	77%	0.774	S	S	*	*			trans	-39.2	112.8	-172.2	44	0	0	0	0	114.9	K196	S194-K196 PolarHBondContact O-N 2.87Å
195	I	42.2	Very low	46.1	Very low	140 Å²	140	153 Å²	153	72%	0.718	77%	0.773	S	S	*	*			trans	-70.3	110.4	168.1	-84	169.2	0	0	0	108.2	S193 I197	S193-I195 PolarHBondContact O-N 3.03Å; I195-I197 VanDerWaalsContact C-N 3.27Å; I195-I197 HydrophobicContact CG2-CD1 3.5Å; I195-I197 HydrophobicContact CG2-CG1 3.47Å; I195-I197 VanDerWaalsContact CG2-CG1 3.47Å; I195-I197 PolarHBondContact O-N 3Å
196	K	45.7	Very low	46.2	Very low	195 Å²	195	154.8 Å²	154.8	85%	0.848	78%	0.777	S	S	*	*			trans	-69.2	79.3	171.6	-65.9	178.1	-179.8	178.3	0	109.7	S194 V198	S194-K196 PolarHBondContact O-N 2.87Å; K196-V198 PolarHBondContact O-N 3.23Å; K196-V198 VanDerWaalsContact O-N 3.09Å
197	I	43	Very low	46.6	Very low	145 Å²	145	154.2 Å²	154.2	74%	0.744	77%	0.774	S	S	*	*			trans	-82.7	67.4	163.4	-64.3	148.7	0	0	0	107.6	I195	I195-I197 VanDerWaalsContact C-N 3.27Å; I195-I197 HydrophobicContact CG2-CD1 3.5Å; I195-I197 HydrophobicContact CG2-CG1 3.47Å; I195-I197 VanDerWaalsContact CG2-CG1 3.47Å; I195-I197 PolarHBondContact O-N 3Å
198	V	43.3	Very low	46.5	Very low	115 Å²	115	158.9 Å²	158.9	70%	0.697	79%	0.789	S	S	*	*			trans	-138.6	103	164.6	-175	0	0	0	0	103.9	K196	K196-V198 PolarHBondContact O-N 3.23Å; K196-V198 VanDerWaalsContact O-N 3.09Å
199	N	44.4	Very low	46.7	Very low	149 Å²	149	157.1 Å²	157.1	80%	0.797	79%	0.787	S	S	*	*	S	Bend	trans	152.1	7.9	156.8	-72.5	-17.2	0	0	0	115.7	F201	N199-F201 PolarHBondContact O-N 2.86Å
200	S	43.6	Very low	46.5	Very low	98 Å²	98	156.4 Å²	156.4	69%	0.685	79%	0.786	S	S	*	*	G	3₁₀ helix	trans	-79.8	-9.3	178.5	-172.7	0	0	0	0	115.4	R202	S200-R202 PolarHBondContact O-N 2.93Å
201	F	47.9	Very low	46.5	Very low	188 Å²	188	154.1 Å²	154.1	83%	0.825	78%	0.782	S	S	*	*	G	3₁₀ helix	trans	-84.7	-3	-176	-71.7	-71.8	0	0	0	114.8	N199	N199-F201 PolarHBondContact O-N 2.86Å
202	R	48.9	Very low	46.4	Very low	224 Å²	224	150.2 Å²	150.2	85%	0.845	78%	0.779	S	S	*	*	G	3₁₀ helix	trans	-83.4	-18.6	-175.1	-142.7	176.1	-151.5	-139	3.5	114.8	S200	S200-R202 PolarHBondContact O-N 2.93Å
203	S	51.4	Low	46.1	Very low	87 Å²	87	152.3 Å²	152.3	61%	0.608	78%	0.78	S	S	*	*	S	Bend	trans	-83.7	-17.6	-178.8	69.9	0	0	0	0	114.5	L205	S203-L205 VanDerWaalsContact C-N 3.34Å; S203-L205 PolarHBondContact O-N 3.35Å
204	L	47.9	Very low	45.8	Very low	122 Å²	122	154.9 Å²	154.9	64%	0.639	78%	0.78	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.9	-19.1	-180	-102.7	109.7	0	0	0	114
205	L	48.4	Very low	45.9	Very low	153 Å²	153	158.1 Å²	158.1	80%	0.801	78%	0.781	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.4	-8	-178.5	-119.2	75	0	0	0	114.1	S203	S203-L205 VanDerWaalsContact C-N 3.34Å; S203-L205 PolarHBondContact O-N 3.35Å
206	Q	45.2	Very low	46.2	Very low	177 Å²	177	159.5 Å²	159.5	83%	0.827	79%	0.785	S	S	*	*	S	Bend	trans	-98.9	5.6	-179.8	-154.4	171.8	3.2	0	0	113.5
207	Q	47.3	Very low	46.2	Very low	172 Å²	172	156.6 Å²	156.6	80%	0.804	78%	0.78	S	S	*	*			trans	-103.7	8.2	173.5	-80.7	-167.4	-24.9	0	0	114.1
208	F	43.1	Very low	46.5	Very low	249 Å²	249	157.6 Å²	157.6	100%	1.092	78%	0.784	S	S	*	*			trans	-127	0	174	-69.5	-67.3	0	0	0	111.5

Retrieved 208 of 208 residues in 65.7 ms (Link to these results)

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