A0A077ZMI1_TRITR Loading...

NADH ubiquinone oxidoreductase ASHI subunit

AlphaFold DB , UniProt , Accession A0A077ZMI1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 187 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	57.7	Low	61.7	Low	209 Å²	209	128.9 Å²	128.9	100%	1.03	66%	0.655	S	S	*	*				0	-32.5	0	-117.7	-175	-92.5	0	0	114.2
2	Q	63.9	Low	60.7	Low	171 Å²	171	126.7 Å²	126.7	80%	0.799	64%	0.642	S	S	*	*	H	α-helix	trans	-67.1	-35.3	-179.3	-65.4	-173.7	2.4	0	0	114.8	L4 I5 A6	Q2-L4 VanDerWaalsContact C-N 3.32Å; Q2-L4 PolarHBondContact O-N 3.05Å; Q2-I5 PolarHBondContact O-N 3.34Å; Q2-A6 PolarHBondContact O-N 3.08Å; Q2-A6 VanDerWaalsContact O-N 3.08Å
3	A	66.9	Low	60.2	Low	72 Å²	72	122.8 Å²	122.8	60%	0.595	63%	0.634	S	S	*	*	H	α-helix	trans	-62.2	-35.5	179.7	0	0	0	0	0	113.6	A6 L7	A3-A6 PolarHBondContact O-N 3.41Å; A3-L7 PolarHBondContact O-N 3.19Å
4	L	60.7	Low	59.7	Low	135 Å²	135	117.5 Å²	117.5	71%	0.707	62%	0.617	S	S	*	*	H	α-helix	trans	-70.1	-32.5	177.5	-110.4	148.9	0	0	0	112.3	Q2 R8	Q2-L4 VanDerWaalsContact C-N 3.32Å; Q2-L4 PolarHBondContact O-N 3.05Å; L4-R8 WeakPolarHBondContact O-CB 3.42Å; L4-R8 PolarHBondContact O-N 3.03Å
5	I	67.8	Low	59.2	Low	106 Å²	106	113 Å²	113	54%	0.544	60%	0.6	S	S	.	*	H	α-helix	trans	-72.8	-38.1	175.5	-61.6	171.7	0	0	0	110.4	Q2 R8 R9	Q2-I5 PolarHBondContact O-N 3.34Å; I5-R8 PolarHBondContact O-N 3.16Å; I5-R9 PolarHBondContact O-N 3.39Å
6	A	69.1	Low	58.7	Low	52 Å²	52	113.9 Å²	113.9	43%	0.43	61%	0.61	S	S	.	*	H	α-helix	trans	-65.2	-44.7	174.8	0	0	0	0	0	112	Q2 A3 R8 R9 I10	Q2-A6 PolarHBondContact O-N 3.08Å; Q2-A6 VanDerWaalsContact O-N 3.08Å; A3-A6 PolarHBondContact O-N 3.41Å; A6-R8 VanDerWaalsContact C-N 3.32Å; A6-R8 PolarHBondContact O-N 3.02Å; A6-R9 PolarHBondContact O-N 3.4Å; A6-R9 VanDerWaalsContact O-N 3.16Å; A6-I10 WeakPolarHBondContact O-CG1 3.41Å; A6-I10 PolarHBondContact O-N 3.02Å
7	L	60.4	Low	58.3	Low	117 Å²	117	109.7 Å²	109.7	61%	0.613	60%	0.595	S	S	*	*	H	α-helix	trans	-62	-37.9	174.7	-78.8	164.3	0	0	0	112.2	A3 I10 S11	A3-L7 PolarHBondContact O-N 3.19Å; L7-I10 PolarHBondContact O-N 2.99Å; L7-S11 VanDerWaalsContact O-CB 3.3Å; L7-S11 WeakPolarHBondContact O-CB 3.49Å; L7-S11 PolarHBondContact O-N 3Å
8	R	59.2	Low	57.7	Low	175 Å²	175	112.3 Å²	112.3	66%	0.66	60%	0.595	S	S	*	*	H	α-helix	trans	-67.5	-34	175	-162.5	176.7	-177.1	-175.1	1.5	112.5	L4 I5 A6 M12	L4-R8 WeakPolarHBondContact O-CB 3.42Å; L4-R8 PolarHBondContact O-N 3.03Å; I5-R8 PolarHBondContact O-N 3.16Å; A6-R8 VanDerWaalsContact C-N 3.32Å; A6-R8 PolarHBondContact O-N 3.02Å; R8-M12 HydrophobicContact CG-CE 4.43Å; R8-M12 WeakPolarHBondContact O-CB 3.35Å; R8-M12 WeakPolarHBondContact O-CG 3.46Å; R8-M12 PolarHBondContact O-N 2.89Å
9	R	57.4	Low	57.2	Low	194 Å²	194	109.5 Å²	109.5	73%	0.732	60%	0.596	S	S	*	*	H	α-helix	trans	-69.6	-37.7	173.9	-79.7	-171.3	178.9	-156	0.4	112.7	I5 A6 M12 S13	I5-R9 PolarHBondContact O-N 3.39Å; A6-R9 PolarHBondContact O-N 3.4Å; A6-R9 VanDerWaalsContact O-N 3.16Å; R9-M12 PolarHBondContact O-N 3.04Å; R9-S13 WeakPolarHBondContact O-CB 3.3Å; R9-S13 PolarHBondContact O-N 3.17Å; R9-S13 PolarHBondContact O-OG 3.46Å
10	I	58.8	Low	56.8	Low	113 Å²	113	112.6 Å²	112.6	58%	0.579	60%	0.598	S	S	*	*	H	α-helix	trans	-70.1	-39.5	175.5	-63.5	165.5	0	0	0	110.7	A6 L7 M12 S13 A14	A6-I10 WeakPolarHBondContact O-CG1 3.41Å; A6-I10 PolarHBondContact O-N 3.02Å; L7-I10 PolarHBondContact O-N 2.99Å; I10-M12 VanDerWaalsContact C-N 3.33Å; I10-M12 PolarHBondContact O-N 3.11Å; I10-S13 PolarHBondContact O-OG 3.39Å; I10-S13 VanDerWaalsContact O-OG 3.11Å; I10-A14 PolarHBondContact O-N 3.31Å
11	S	56.9	Low	56.5	Low	74 Å²	74	113.3 Å²	113.3	52%	0.517	60%	0.602	S	S	.	*	H	α-helix	trans	-65.8	-34.4	176.3	172.4	0	0	0	0	112.7	L7 S15	L7-S11 VanDerWaalsContact O-CB 3.3Å; L7-S11 WeakPolarHBondContact O-CB 3.49Å; L7-S11 PolarHBondContact O-N 3Å; S11-S15 PolarHBondContact O-N 3.06Å; S11-S15 PolarHBondContact O-OG 3.49Å
12	M	49.5	Very low	56	Low	102 Å²	102	114.4 Å²	114.4	50%	0.502	60%	0.595	S	S	.	*	H	α-helix	trans	-84.6	-27.7	178.9	-67.7	-158.8	-57.4	0	0	113.3	R8 R9 I10 S15 V16	R8-M12 HydrophobicContact CG-CE 4.43Å; R8-M12 WeakPolarHBondContact O-CB 3.35Å; R8-M12 WeakPolarHBondContact O-CG 3.46Å; R8-M12 PolarHBondContact O-N 2.89Å; R9-M12 PolarHBondContact O-N 3.04Å; I10-M12 VanDerWaalsContact C-N 3.33Å; I10-M12 PolarHBondContact O-N 3.11Å; M12-S15 WeakPolarHBondContact CA-OG 3.33Å; M12-S15 PolarHBondContact O-N 3.45Å; M12-S15 PolarHBondContact O-OG 3.19Å; M12-S15 VanDerWaalsContact O-OG 3.04Å; M12-V16 WeakPolarHBondContact O-CG2 3.46Å; M12-V16 PolarHBondContact O-N 3.17Å; M12-V16 VanDerWaalsContact O-N 3.09Å
13	S	54.4	Low	55.4	Low	76 Å²	76	109 Å²	109	53%	0.531	57%	0.571	S	S	.	*	H	α-helix	trans	-71.4	-35.2	173.2	65.8	0	0	0	0	112.3	R9 I10 V16 A17	R9-S13 WeakPolarHBondContact O-CB 3.3Å; R9-S13 PolarHBondContact O-N 3.17Å; R9-S13 PolarHBondContact O-OG 3.46Å; I10-S13 PolarHBondContact O-OG 3.39Å; I10-S13 VanDerWaalsContact O-OG 3.11Å; S13-V16 PolarHBondContact O-N 3.46Å; S13-A17 WeakPolarHBondContact O-CB 3.33Å; S13-A17 PolarHBondContact O-N 3.45Å
14	A	53.3	Low	54.8	Low	49 Å²	49	112 Å²	112	41%	0.405	58%	0.576	S	S	.	*	H	α-helix	trans	-72.3	-25.3	174.6	0	0	0	0	0	113.3	I10 R18	I10-A14 PolarHBondContact O-N 3.31Å; A14-R18 WeakPolarHBondContact O-CG 3.48Å; A14-R18 PolarHBondContact O-NE 3.13Å
15	S	51.4	Low	54.5	Low	50 Å²	50	114.4 Å²	114.4	35%	0.35	58%	0.584	S	S	.	*	H	α-helix	trans	-83.8	-25.1	173	52.6	0	0	0	0	113.6	S11 M12 R18	S11-S15 PolarHBondContact O-N 3.06Å; S11-S15 PolarHBondContact O-OG 3.49Å; M12-S15 WeakPolarHBondContact CA-OG 3.33Å; M12-S15 PolarHBondContact O-N 3.45Å; M12-S15 PolarHBondContact O-OG 3.19Å; M12-S15 VanDerWaalsContact O-OG 3.04Å; S15-R18 PolarHBondContact O-N 3.09Å
16	V	51.6	Low	54	Low	127 Å²	127	111.7 Å²	111.7	77%	0.77	58%	0.581	S	S	*	*	H	α-helix	trans	-79.2	-23.4	170.9	175.5	0	0	0	0	111.5	M12 S13 R18	M12-V16 WeakPolarHBondContact O-CG2 3.46Å; M12-V16 PolarHBondContact O-N 3.17Å; M12-V16 VanDerWaalsContact O-N 3.09Å; S13-V16 PolarHBondContact O-N 3.46Å; V16-R18 VanDerWaalsContact C-N 3.29Å
17	A	52.7	Low	53.8	Low	43 Å²	43	116.8 Å²	116.8	36%	0.355	59%	0.59	S	S	.	*	S	Bend	trans	-77	-11.1	169.1	0	0	0	0	0	114.2	S13 G19	S13-A17 WeakPolarHBondContact O-CB 3.33Å; S13-A17 PolarHBondContact O-N 3.45Å; A17-G19 PolarHBondContact O-N 3.43Å; A17-G19 VanDerWaalsContact O-N 3.13Å
18	R	47.3	Very low	54.1	Low	156 Å²	156	117.3 Å²	117.3	59%	0.589	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.7	32.3	-177.4	-96.8	-175.7	-82.3	150.2	-12.3	114.6	A14 S15 V16	A14-R18 WeakPolarHBondContact O-CG 3.48Å; A14-R18 PolarHBondContact O-NE 3.13Å; S15-R18 PolarHBondContact O-N 3.09Å; V16-R18 VanDerWaalsContact C-N 3.29Å
19	G	47.4	Very low	54.7	Low	59 Å²	59	115.1 Å²	115.1	61%	0.608	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.4	-0.5	166.6	0	0	0	0	0	114	A17	A17-G19 PolarHBondContact O-N 3.43Å; A17-G19 VanDerWaalsContact O-N 3.13Å
20	R	49.6	Very low	55.5	Low	171 Å²	171	113.4 Å²	113.4	65%	0.645	58%	0.577	S	S	*	*	S	Bend	trans	-89.3	-17.7	-176.8	-87.6	-171.4	-74.9	-129.4	-1.7	115.2	W22 I23	R20-W22 VanDerWaalsContact C-N 3.31Å; R20-W22 PolarHBondContact O-N 3.31Å; R20-I23 HydrophobicContact CB-CD1 4.17Å; R20-I23 HydrophobicContact CG-CD1 3.88Å; R20-I23 WeakPolarHBondContact O-CB 3.32Å; R20-I23 VanDerWaalsContact O-CG1 3.32Å; R20-I23 WeakPolarHBondContact O-CG1 3.45Å; R20-I23 PolarHBondContact O-N 3.35Å
21	D	50.9	Low	56.4	Low	129 Å²	129	110.6 Å²	110.6	69%	0.69	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.5	-2.5	-166.4	-53.5	-16.5	0	0	0	113.5
22	W	46	Very low	57.5	Low	231 Å²	231	111.6 Å²	111.6	88%	0.875	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.6	11.6	171	-58.4	93.1	0	0	0	112.9	R20 I24	R20-W22 VanDerWaalsContact C-N 3.31Å; R20-W22 PolarHBondContact O-N 3.31Å; W22-I24 PolarHBondContact O-N 3.26Å
23	I	52.1	Low	59.3	Low	57 Å²	57	113.3 Å²	113.3	29%	0.292	56%	0.564	S	S	.	*			trans	-83.7	99.7	175.3	-56.1	170.5	0	0	0	106.9	R20 E25 W28	R20-I23 HydrophobicContact CB-CD1 4.17Å; R20-I23 HydrophobicContact CG-CD1 3.88Å; R20-I23 WeakPolarHBondContact O-CB 3.32Å; R20-I23 VanDerWaalsContact O-CG1 3.32Å; R20-I23 WeakPolarHBondContact O-CG1 3.45Å; R20-I23 PolarHBondContact O-N 3.35Å; I23-E25 PolarHBondContact O-N 3.08Å; I23-E25 VanDerWaalsContact O-N 3.08Å; I23-W28 HydrophobicContact CG2-CB 4.48Å
24	I	53.8	Low	61	Low	135 Å²	135	112.2 Å²	112.2	69%	0.692	56%	0.555	S	S	*	*			trans	-61.6	109.9	159.3	-60.3	170.6	0	0	0	105.6	W22 G26 W27	W22-I24 PolarHBondContact O-N 3.26Å; I24-G26 PolarHBondContact O-N 3.46Å; I24-W27 PolarHBondContact O-N 3.21Å
25	E	54.7	Low	62.9	Low	187 Å²	187	113.7 Å²	113.7	87%	0.874	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.2	124.1	174.4	-73.2	-171.8	160.9	0	0	108.9	I23	I23-E25 PolarHBondContact O-N 3.08Å; I23-E25 VanDerWaalsContact O-N 3.08Å
26	G	57.7	Low	64.9	Low	48 Å²	48	116.6 Å²	116.6	50%	0.495	57%	0.574	S	S	.	*	T	Hydrogen-bonded Turn	trans	99.9	0.3	173.5	0	0	0	0	0	116.9	I24	I24-G26 PolarHBondContact O-N 3.46Å
27	W	63.9	Low	67	Low	160 Å²	160	113.7 Å²	113.7	61%	0.606	55%	0.549	S	S	*	.			trans	-134.9	29.1	176.4	-115.7	74.5	0	0	0	113.5	I24 F96	I24-W27 PolarHBondContact O-N 3.21Å; W27-F96 HydrophobicContact CH2-CE1 4.27Å; W27-F96 HydrophobicContact CH2-CE2 4.2Å; W27-F96 AromaticContact CH2-CZ 3.45Å; W27-F96 HydrophobicContact CH2-CZ 3.45Å; W27-F96 VanDerWaalsContact CH2-CZ 3.45Å; W27-F96 HydrophobicContact CZ2-CE1 4.12Å; W27-F96 AromaticContact CZ2-CZ 3.74Å; W27-F96 HydrophobicContact CZ2-CZ 3.74Å
28	W	66.8	Low	69	Low	127 Å²	127	111.8 Å²	111.8	48%	0.481	53%	0.533	S	S	.	.	S	Bend	trans	-97	151.8	-179.9	-166.8	-115.9	0	0	0	112	I23 R30 D31 H32	I23-W28 HydrophobicContact CG2-CB 4.48Å; W28-R30 PolarHBondContact O-N 2.86Å; W28-D31 PolarHBondContact O-N 3.36Å; W28-H32 PolarHBondContact O-CD2 3Å
29	I	72.4	Confident	71.2	Confident	130 Å²	130	110.2 Å²	110.2	67%	0.667	53%	0.532	S	S	*	.	H	α-helix	trans	-49.7	-35.5	-178.9	-63.8	171.2	0	0	0	112.5	D31 H32 K33	I29-D31 VanDerWaalsContact C-N 3.27Å; I29-D31 PolarHBondContact O-N 3.43Å; I29-H32 PolarHBondContact O-N 3.38Å; I29-K33 WeakPolarHBondContact O-CB 3.47Å; I29-K33 PolarHBondContact O-N 3.48Å
30	R	74.5	Confident	73.5	Confident	158 Å²	158	110.1 Å²	110.1	60%	0.596	52%	0.52	S	S	*	.	H	α-helix	trans	-57.3	-40.5	177.4	-179.7	-166.4	62.7	-144.5	-8.3	112.3	W28 H32 K33	W28-R30 PolarHBondContact O-N 2.86Å; R30-H32 VanDerWaalsContact C-N 3.34Å; R30-K33 PolarHBondContact O-N 2.96Å
31	D	77.9	Confident	75.6	Confident	53 Å²	53	106.2 Å²	106.2	28%	0.283	52%	0.517	S	S	.	.	H	α-helix	trans	-77.2	-28	-171.8	-53.5	-23.1	0	0	0	110.5	W28 I29 K50	W28-D31 PolarHBondContact O-N 3.36Å; I29-D31 VanDerWaalsContact C-N 3.27Å; I29-D31 PolarHBondContact O-N 3.43Å; D31-K50 WeakPolarHBondContact O-CE 3.37Å
32	H	80.4	Confident	77.8	Confident	96 Å²	96	107.9 Å²	107.9	44%	0.444	52%	0.521	S	S	.	.	H	α-helix	trans	-94	-7.8	176.2	-57.6	-69.8	0	0	0	114.3	W28 I29 R30	W28-H32 PolarHBondContact O-CD2 3Å; I29-H32 PolarHBondContact O-N 3.38Å; R30-H32 VanDerWaalsContact C-N 3.34Å
33	K	86.9	Confident	80.1	Confident	138 Å²	138	101.4 Å²	101.4	60%	0.6	50%	0.5	S	S	*	.	S	Bend	trans	-61.5	137.1	-179.9	-178.5	-169.2	165.9	-172.7	0	110.1	I29 R30 K50	I29-K33 WeakPolarHBondContact O-CB 3.47Å; I29-K33 PolarHBondContact O-N 3.48Å; R30-K33 PolarHBondContact O-N 2.96Å; K33-K50 WeakPolarHBondContact O-CE 3.47Å; K33-K50 PolarHBondContact O-NZ 3.35Å
34	P	90.9	Very high	82.2	Confident	53 Å²	53	103 Å²	103	34%	0.344	50%	0.502	S	S	.	.			trans	-57	140.4	170.9	-24.9	34.7	0	0	0	112.9	Y51 N69 Y70	P34-Y51 WeakPolarHBondContact CA-OH 3.36Å; P34-Y51 WeakPolarHBondContact CB-OH 3.48Å; P34-N69 WeakPolarHBondContact CA-OD1 3.36Å; P34-Y70 HydrophobicContact CG-CD2 4.08Å
35	D	91.6	Very high	84.2	Confident	79 Å²	79	102.3 Å²	102.3	42%	0.422	49%	0.494	S	S	.	.			trans	-92.2	174.3	174	-58.2	-54.9	0	0	0	110.2	K50 G68 N69	D35-K50 IonicContact OD1-NZ 3.49Å; D35-K50 PolarHBondContact OD1-NZ 2.99Å; D35-K50 IonicContact OD2-NZ 2.69Å; D35-K50 PolarHBondContact OD2-NZ 3.17Å; D35-G68 CarbonylContact O-C 3.45Å; D35-G68 WeakPolarHBondContact O-CA 3.48Å; D35-N69 WeakPolarHBondContact CB-ND2 3.13Å; D35-N69 PolarHBondContact N-OD1 3.21Å; D35-N69 PolarHBondContact O-N 3.12Å; D35-N69 PolarHBondContact O-OD1 3.25Å; D35-N69 PolarHBondContact OD2-ND2 2.66Å
36	P	93.4	Very high	86	Confident	111 Å²	111	96.2 Å²	96.2	72%	0.721	48%	0.476	S	S	*	.	S	Bend	trans	-57.5	163.1	172	-24.5	36.4	0	0	0	112.8	N69	P36-N69 WeakPolarHBondContact O-CB 3.29Å
37	W	95.4	Very high	87.8	Confident	66 Å²	66	94 Å²	94	25%	0.25	45%	0.453	C	S	.	.			trans	-58	131	-178.1	-168.1	90.4	0	0	0	111.7	E39 M61 R63	W37-E39 HydrophobicContact CE3-CG 4.05Å; W37-E39 HydrophobicContact CZ3-CG 4.33Å; W37-E39 PolarHBondContact O-N 3.49Å; W37-M61 PolarHBondContact NE1-O 2.69Å; W37-R63 HydrophobicContact CG-CB 4.48Å; W37-R63 VanDerWaalsContact CZ3-NH2 3.25Å
38	P	95.1	Very high	89.3	Confident	3 Å²	3	86.4 Å²	86.4	2%	0.019	43%	0.425	C	S	.	.			trans	-75.2	114.5	-172.5	29.5	-34.3	0	0	0	111.5	E43 R44 Y58 N69	P38-E43 HydrophobicContact CB-CB 3.92Å; P38-R44 HydrophobicContact CB-CB 4.36Å; P38-Y58 HydrophobicContact CG-CE1 4.16Å; P38-N69 HydrophobicContact CG-CB 4.43Å
39	E	93.5	Very high	90.5	Very high	123 Å²	123	87.2 Å²	87.2	58%	0.575	44%	0.437	S	S	*	.			trans	-90.1	-35.2	-177.8	-53.8	-161.6	158.3	0	0	111.8	W37 E43 R63	W37-E39 HydrophobicContact CE3-CG 4.05Å; W37-E39 HydrophobicContact CZ3-CG 4.33Å; W37-E39 PolarHBondContact O-N 3.49Å; E39-E43 PolarHBondContact N-OE2 3.13Å; E39-R63 IonicContact OE1-CZ 3.26Å; E39-R63 VanDerWaalsContact OE1-CZ 3.26Å; E39-R63 IonicContact OE1-NH1 2.81Å; E39-R63 PolarHBondContact OE1-NH1 2.89Å; E39-R63 IonicContact OE1-NH2 2.76Å; E39-R63 PolarHBondContact OE1-NH2 3.46Å
40	T	95.6	Very high	91.5	Very high	58 Å²	58	84.2 Å²	84.2	36%	0.356	42%	0.42	S	S	.	.	S	Bend	trans	-99.8	156.5	-177.7	68.3	0	0	0	0	112.3	E42 E43 R44	T40-E42 PolarHBondContact O-N 3.46Å; T40-E43 PolarHBondContact N-OE2 3.18Å; T40-E43 PolarHBondContact O-N 3.39Å; T40-E43 WeakPolarHBondContact OG1-CB 3.38Å; T40-E43 WeakPolarHBondContact OG1-CG 3.47Å; T40-E43 PolarHBondContact OG1-N 3.24Å; T40-E43 VanDerWaalsContact OG1-N 3.17Å; T40-R44 PolarHBondContact O-N 2.78Å
41	P	95.1	Very high	92.4	Very high	88 Å²	88	77.9 Å²	77.9	57%	0.571	40%	0.396	S	S	*	.	H	α-helix	trans	-59.3	-34.9	172.7	-24.2	34.7	0	0	0	113.1	R44 K45	P41-R44 WeakPolarHBondContact O-CB 3.2Å; P41-R44 PolarHBondContact O-N 3.1Å; P41-K45 WeakPolarHBondContact O-CB 3.14Å; P41-K45 PolarHBondContact O-N 2.97Å
42	E	95.4	Very high	93.1	Very high	164 Å²	164	78.7 Å²	78.7	77%	0.766	42%	0.417	S	S	*	.	H	α-helix	trans	-66.8	-43.4	178	-63.2	-176.5	178.4	0	0	111.7	T40 R44 K45 A46	T40-E42 PolarHBondContact O-N 3.46Å; E42-R44 VanDerWaalsContact C-N 3.33Å; E42-K45 PolarHBondContact O-N 3.39Å; E42-A46 WeakPolarHBondContact O-CB 3.15Å; E42-A46 PolarHBondContact O-N 3.46Å
43	E	95.2	Very high	93.8	Very high	95 Å²	95	76.1 Å²	76.1	44%	0.444	41%	0.406	S	S	.	.	H	α-helix	trans	-63.4	-39.5	173.5	-75.3	168.3	-179.9	0	0	111.8	P38 E39 T40 A46 A47	P38-E43 HydrophobicContact CB-CB 3.92Å; E39-E43 PolarHBondContact N-OE2 3.13Å; T40-E43 PolarHBondContact N-OE2 3.18Å; T40-E43 PolarHBondContact O-N 3.39Å; T40-E43 WeakPolarHBondContact OG1-CB 3.38Å; T40-E43 WeakPolarHBondContact OG1-CG 3.47Å; T40-E43 PolarHBondContact OG1-N 3.24Å; T40-E43 VanDerWaalsContact OG1-N 3.17Å; E43-A46 PolarHBondContact O-N 3.06Å; E43-A47 WeakPolarHBondContact O-CB 3.45Å; E43-A47 PolarHBondContact O-N 2.86Å
44	R	95.1	Very high	94.2	Very high	90 Å²	90	77.4 Å²	77.4	34%	0.34	41%	0.407	S	S	.	.	H	α-helix	trans	-61.3	-46	175.5	-173.4	177.9	-61.3	135.7	7.9	111.2	P38 T40 P41 E42 A47 A48 Y58	P38-R44 HydrophobicContact CB-CB 4.36Å; T40-R44 PolarHBondContact O-N 2.78Å; P41-R44 WeakPolarHBondContact O-CB 3.2Å; P41-R44 PolarHBondContact O-N 3.1Å; E42-R44 VanDerWaalsContact C-N 3.33Å; R44-A47 PolarHBondContact O-N 3.28Å; R44-A48 PolarHBondContact O-N 2.92Å; R44-Y58 HydrophobicContact CG-CD1 3.45Å; R44-Y58 VanDerWaalsContact CG-CD1 3.45Å; R44-Y58 HydrophobicContact CG-CE1 3.67Å
45	K	95.8	Very high	94.4	Very high	121 Å²	121	79.1 Å²	79.1	53%	0.526	41%	0.411	S	S	.	.	H	α-helix	trans	-63.4	-42	177.2	-175.5	175.5	-173.4	162.2	0	112.2	P41 E42 A47 A48 L49 E55	P41-K45 WeakPolarHBondContact O-CB 3.14Å; P41-K45 PolarHBondContact O-N 2.97Å; E42-K45 PolarHBondContact O-N 3.39Å; K45-A47 VanDerWaalsContact C-N 3.34Å; K45-A48 PolarHBondContact O-N 3.36Å; K45-L49 PolarHBondContact O-N 3.37Å; K45-E55 HydrophobicContact CB-CG 4.41Å; K45-E55 WeakPolarHBondContact CD-OE2 3.36Å; K45-E55 WeakPolarHBondContact CE-OE2 3.44Å; K45-E55 HydrophobicContact CG-CG 4.45Å; K45-E55 IonicContact NZ-OE2 3.71Å
46	A	93.9	Very high	94.6	Very high	59 Å²	59	81.8 Å²	81.8	49%	0.488	42%	0.42	S	S	.	.	H	α-helix	trans	-64.1	-39.6	175.2	0	0	0	0	0	111.9	E42 E43 L49 K50	E42-A46 WeakPolarHBondContact O-CB 3.15Å; E42-A46 PolarHBondContact O-N 3.46Å; E43-A46 PolarHBondContact O-N 3.06Å; A46-L49 PolarHBondContact O-N 3.41Å; A46-K50 WeakPolarHBondContact O-CB 3.48Å; A46-K50 PolarHBondContact O-N 2.85Å
47	A	94.8	Very high	94.7	Very high	2 Å²	2	81.1 Å²	81.1	2%	0.017	41%	0.411	C	S	.	.	H	α-helix	trans	-64.5	-46.3	174.6	0	0	0	0	0	111.7	E43 R44 K45 L49 K50 Y51 Y58 N69	E43-A47 WeakPolarHBondContact O-CB 3.45Å; E43-A47 PolarHBondContact O-N 2.86Å; R44-A47 PolarHBondContact O-N 3.28Å; K45-A47 VanDerWaalsContact C-N 3.34Å; A47-L49 VanDerWaalsContact C-N 3.31Å; A47-L49 PolarHBondContact O-N 3.5Å; A47-K50 WeakPolarHBondContact O-CB 3.34Å; A47-K50 PolarHBondContact O-N 3.33Å; A47-K50 VanDerWaalsContact O-N 3.1Å; A47-Y51 WeakPolarHBondContact O-CD2 3.45Å; A47-Y51 PolarHBondContact O-N 3.33Å; A47-Y51 VanDerWaalsContact O-N 3.13Å; A47-Y58 HydrophobicContact CB-CE1 4.21Å; A47-Y58 HydrophobicContact CB-CE2 3.96Å; A47-N69 HydrophobicContact CB-CB 4.07Å
48	A	95.4	Very high	94.7	Very high	1 Å²	1	78.4 Å²	78.4	1%	0.008	40%	0.401	C	S	.	.	H	α-helix	trans	-53.9	-49.1	175.3	0	0	0	0	0	111.3	R44 K45 K50 Y51 G52 L53 Y58	R44-A48 PolarHBondContact O-N 2.92Å; K45-A48 PolarHBondContact O-N 3.36Å; A48-K50 VanDerWaalsContact C-N 3.33Å; A48-K50 PolarHBondContact O-N 2.94Å; A48-Y51 PolarHBondContact O-N 3.36Å; A48-G52 PolarHBondContact O-N 2.81Å; A48-L53 CarbonylContact C-O 3.45Å; A48-L53 PolarHBondContact O-N 2.76Å; A48-Y58 HydrophobicContact CB-CD2 4.22Å; A48-Y58 HydrophobicContact CB-CG 3.87Å
49	L	93.2	Very high	94.7	Very high	143 Å²	143	82.1 Å²	82.1	75%	0.749	42%	0.423	S	S	*	.	H	α-helix	trans	-61.3	-39.9	177.4	-173.4	65.1	0	0	0	112.5	K45 A46 A47 Y51 G52	K45-L49 PolarHBondContact O-N 3.37Å; A46-L49 PolarHBondContact O-N 3.41Å; A47-L49 VanDerWaalsContact C-N 3.31Å; A47-L49 PolarHBondContact O-N 3.5Å; L49-Y51 VanDerWaalsContact C-N 3.3Å; L49-Y51 PolarHBondContact O-N 2.82Å; L49-G52 PolarHBondContact O-N 2.94Å
50	K	92.5	Very high	94.7	Very high	68 Å²	68	77.4 Å²	77.4	30%	0.296	40%	0.404	S	S	.	.	H	α-helix	trans	-60.1	-38.4	177.8	-173.8	178.6	-168.8	162.3	0	112.7	D31 K33 D35 A46 A47 A48	D31-K50 WeakPolarHBondContact O-CE 3.37Å; K33-K50 WeakPolarHBondContact O-CE 3.47Å; K33-K50 PolarHBondContact O-NZ 3.35Å; D35-K50 IonicContact OD1-NZ 3.49Å; D35-K50 PolarHBondContact OD1-NZ 2.99Å; D35-K50 IonicContact OD2-NZ 2.69Å; D35-K50 PolarHBondContact OD2-NZ 3.17Å; A46-K50 WeakPolarHBondContact O-CB 3.48Å; A46-K50 PolarHBondContact O-N 2.85Å; A47-K50 WeakPolarHBondContact O-CB 3.34Å; A47-K50 PolarHBondContact O-N 3.33Å; A47-K50 VanDerWaalsContact O-N 3.1Å; A48-K50 VanDerWaalsContact C-N 3.33Å; A48-K50 PolarHBondContact O-N 2.94Å
51	Y	93.3	Very high	94.5	Very high	25 Å²	25	75.4 Å²	75.4	10%	0.098	39%	0.391	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	5.8	179.3	-65.7	-73.7	0	0	0	113.7	P34 A47 A48 L49 L53 Y58 N69 Y70 P71	P34-Y51 WeakPolarHBondContact CA-OH 3.36Å; P34-Y51 WeakPolarHBondContact CB-OH 3.48Å; A47-Y51 WeakPolarHBondContact O-CD2 3.45Å; A47-Y51 PolarHBondContact O-N 3.33Å; A47-Y51 VanDerWaalsContact O-N 3.13Å; A48-Y51 PolarHBondContact O-N 3.36Å; L49-Y51 VanDerWaalsContact C-N 3.3Å; L49-Y51 PolarHBondContact O-N 2.82Å; Y51-L53 PolarHBondContact O-N 3.18Å; Y51-Y58 HydrophobicContact CD2-CE2 4.13Å; Y51-N69 WeakPolarHBondContact CE2-O 3.21Å; Y51-N69 PolarHBondContact OH-OD1 3.32Å; Y51-Y70 HydrophobicContact CD1-CE2 4.48Å; Y51-Y70 AromaticContact CE1-CD2 3.66Å; Y51-Y70 HydrophobicContact CE1-CD2 3.66Å; Y51-Y70 AromaticContact CE1-CE2 3.74Å; Y51-Y70 HydrophobicContact CE1-CE2 3.74Å; Y51-Y70 AromaticContact CZ-CD2 3.83Å; Y51-P71 HydrophobicContact CD1-CG 4.26Å; Y51-P71 HydrophobicContact CD2-CG 4.25Å; Y51-P71 HydrophobicContact CG-CG 4Å
52	G	93.4	Very high	94.4	Very high	70 Å²	70	75.5 Å²	75.5	72%	0.722	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.7	21.5	-178.8	0	0	0	0	0	114.1	A48 L49	A48-G52 PolarHBondContact O-N 2.81Å; L49-G52 PolarHBondContact O-N 2.94Å
53	L	94.7	Very high	94.2	Very high	42 Å²	42	73.2 Å²	73.2	22%	0.22	38%	0.376	C	S	.	.			trans	-98.2	157.5	179.3	-65	172.4	0	0	0	110.9	A48 Y51 Y58 P71 L73 P99	A48-L53 CarbonylContact C-O 3.45Å; A48-L53 PolarHBondContact O-N 2.76Å; Y51-L53 PolarHBondContact O-N 3.18Å; L53-Y58 HydrophobicContact CD1-CD2 4.15Å; L53-P71 HydrophobicContact CD1-CB 3.54Å; L53-P71 HydrophobicContact CD1-CG 3.84Å; L53-L73 HydrophobicContact CD1-CD2 4.02Å; L53-L73 HydrophobicContact CD2-CD2 4.37Å; L53-P99 HydrophobicContact CD2-CG 4.19Å; L53-P99 HydrophobicContact CG-CG 4.39Å
54	R	95.2	Very high	94.1	Very high	165 Å²	165	75.1 Å²	75.1	62%	0.623	39%	0.389	S	S	*	.			trans	-73	155.5	167.9	-58.3	-175.7	-180	-179.7	1.9	109.9	E56 D57 Y58	R54-E56 HydrophobicContact CB-CG 4.14Å; R54-E56 VanDerWaalsContact CD-OE1 3.25Å; R54-E56 WeakPolarHBondContact CD-OE1 3.38Å; R54-E56 IonicContact NH1-OE1 3.89Å; R54-E56 PolarHBondContact O-N 3.03Å; R54-D57 HydrophobicContact CB-CB 4.3Å; R54-D57 PolarHBondContact O-N 3.21Å; R54-Y58 PolarHBondContact O-N 3.38Å; R54-Y58 VanDerWaalsContact O-N 3.09Å
55	E	94.8	Very high	93.7	Very high	89 Å²	89	72.8 Å²	72.8	42%	0.416	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-37.7	178.7	-172.5	175.9	170.8	0	0	111.1	K45	K45-E55 HydrophobicContact CB-CG 4.41Å; K45-E55 WeakPolarHBondContact CD-OE2 3.36Å; K45-E55 WeakPolarHBondContact CE-OE2 3.44Å; K45-E55 HydrophobicContact CG-CG 4.45Å; K45-E55 IonicContact NZ-OE2 3.71Å
56	E	95.6	Very high	93.4	Very high	134 Å²	134	74.9 Å²	74.9	63%	0.626	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-30.3	176.7	61.7	-93.8	-157	0	0	114.6	R54	R54-E56 HydrophobicContact CB-CG 4.14Å; R54-E56 VanDerWaalsContact CD-OE1 3.25Å; R54-E56 WeakPolarHBondContact CD-OE1 3.38Å; R54-E56 IonicContact NH1-OE1 3.89Å; R54-E56 PolarHBondContact O-N 3.03Å
57	D	95.6	Very high	93.3	Very high	97 Å²	97	73.3 Å²	73.3	52%	0.519	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-16.4	-177.6	-64.6	-31.6	0	0	0	111.9	R54 V59	R54-D57 HydrophobicContact CB-CB 4.3Å; R54-D57 PolarHBondContact O-N 3.21Å; D57-V59 PolarHBondContact O-N 3.24Å
58	Y	96.2	Very high	93.2	Very high	9 Å²	9	74 Å²	74	4%	0.035	39%	0.392	C	S	.	.			trans	-76.8	109.3	179.5	178.9	-90.4	0	0	0	111.1	P38 R44 A47 A48 Y51 L53 R54 N69 P71	P38-Y58 HydrophobicContact CG-CE1 4.16Å; R44-Y58 HydrophobicContact CG-CD1 3.45Å; R44-Y58 VanDerWaalsContact CG-CD1 3.45Å; R44-Y58 HydrophobicContact CG-CE1 3.67Å; A47-Y58 HydrophobicContact CB-CE1 4.21Å; A47-Y58 HydrophobicContact CB-CE2 3.96Å; A48-Y58 HydrophobicContact CB-CD2 4.22Å; A48-Y58 HydrophobicContact CB-CG 3.87Å; Y51-Y58 HydrophobicContact CD2-CE2 4.13Å; L53-Y58 HydrophobicContact CD1-CD2 4.15Å; R54-Y58 PolarHBondContact O-N 3.38Å; R54-Y58 VanDerWaalsContact O-N 3.09Å; Y58-N69 VanDerWaalsContact OH-C 3.27Å; Y58-N69 PolarHBondContact OH-O 2.8Å; Y58-P71 HydrophobicContact CD2-CB 3.93Å; Y58-P71 HydrophobicContact CE2-CB 3.89Å
59	V	94.2	Very high	93.2	Very high	81 Å²	81	74.3 Å²	74.3	49%	0.491	39%	0.393	S	S	.	.			trans	-109.7	123.4	169.8	-178.3	0	0	0	0	108.7	D57 P71 D72	D57-V59 PolarHBondContact O-N 3.24Å; V59-P71 CarbonylContact O-C 3.57Å; V59-P71 WeakPolarHBondContact O-CA 3.48Å; V59-D72 HydrophobicContact CB-CB 4.35Å; V59-D72 HydrophobicContact CG1-CB 4.3Å; V59-D72 PolarHBondContact O-N 2.97Å
60	S	92.9	Very high	93.2	Very high	25 Å²	25	69.6 Å²	69.6	18%	0.175	37%	0.366	C	S	.	.	B	Isolated β-bridge	trans	-78.2	137	173.5	56.7	0	0	0	0	110.4
61	M	92.5	Very high	93.3	Very high	16 Å²	16	66.4 Å²	66.4	8%	0.079	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-60	158.4	171.2	-70.7	-164.3	170.5	0	0	112.4	W37 R63 V67 D72 Y102	W37-M61 PolarHBondContact NE1-O 2.69Å; M61-R63 PolarHBondContact O-N 2.91Å; M61-V67 HydrophobicContact CB-CG2 3.58Å; M61-V67 HydrophobicContact CG-CG2 4.03Å; M61-V67 HydrophobicContact SD-CG1 4.31Å; M61-V67 HydrophobicContact SD-CG2 3.77Å; M61-D72 HydrophobicContact CE-CB 4.05Å; M61-D72 HydrophobicContact CG-CB 3.85Å; M61-Y102 HydrophobicContact CE-CD1 4.3Å; M61-Y102 HydrophobicContact CE-CG 3.95Å; M61-Y102 HydrophobicContact SD-CD1 4.17Å; M61-Y102 HydrophobicContact SD-CD2 4.47Å; M61-Y102 HydrophobicContact SD-CG 3.92Å
62	P	92.5	Very high	93.3	Very high	89 Å²	89	68.5 Å²	68.5	58%	0.578	37%	0.365	S	S	*	.	P	Polyproline II helix	trans	-53.6	138.8	172.4	-25	34.4	0	0	0	111.5	D64 A65	P62-D64 PolarHBondContact O-N 3.18Å; P62-D64 VanDerWaalsContact O-N 3.12Å; P62-A65 VanDerWaalsContact O-CB 3.29Å; P62-A65 WeakPolarHBondContact O-CB 3.08Å; P62-A65 PolarHBondContact O-N 2.81Å
63	R	91.2	Very high	93.2	Very high	117 Å²	117	67.7 Å²	67.7	44%	0.442	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-55.6	-33.8	-178	-176.4	178.1	-69.1	-113.4	8.6	112.7	W37 E39 M61 A65 H66	W37-R63 HydrophobicContact CG-CB 4.48Å; W37-R63 VanDerWaalsContact CZ3-NH2 3.25Å; E39-R63 IonicContact OE1-CZ 3.26Å; E39-R63 VanDerWaalsContact OE1-CZ 3.26Å; E39-R63 IonicContact OE1-NH1 2.81Å; E39-R63 PolarHBondContact OE1-NH1 2.89Å; E39-R63 IonicContact OE1-NH2 2.76Å; E39-R63 PolarHBondContact OE1-NH2 3.46Å; M61-R63 PolarHBondContact O-N 2.91Å; R63-A65 PolarHBondContact O-N 2.59Å; R63-H66 PolarHBondContact O-N 3.42Å; R63-H66 VanDerWaalsContact O-N 3.13Å
64	D	92.5	Very high	92.9	Very high	135 Å²	135	67.2 Å²	67.2	72%	0.722	35%	0.349	S	S	*	.	G	3₁₀ helix	trans	-68.9	-14.2	-179.2	-56.8	-23.8	0	0	0	113.5	P62 H66	P62-D64 PolarHBondContact O-N 3.18Å; P62-D64 VanDerWaalsContact O-N 3.12Å; D64-H66 PolarHBondContact O-CD2 2.98Å; D64-H66 PolarHBondContact O-N 3.13Å
65	A	88.7	Confident	92.4	Very high	40 Å²	40	64 Å²	64	33%	0.331	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-73.3	-15.5	173.2	0	0	0	0	0	112.5	P62 R63 V67	P62-A65 VanDerWaalsContact O-CB 3.29Å; P62-A65 WeakPolarHBondContact O-CB 3.08Å; P62-A65 PolarHBondContact O-N 2.81Å; R63-A65 PolarHBondContact O-N 2.59Å; A65-V67 HydrophobicContact CB-CG1 4.15Å; A65-V67 HydrophobicContact CB-CG2 4.33Å; A65-V67 PolarHBondContact O-N 3.23Å
66	H	89.4	Confident	91.7	Very high	166 Å²	166	63.6 Å²	63.6	77%	0.769	34%	0.344	S	S	*	.			trans	56.5	30.9	179	-56.7	-59	0	0	0	115	R63 D64	R63-H66 PolarHBondContact O-N 3.42Å; R63-H66 VanDerWaalsContact O-N 3.13Å; D64-H66 PolarHBondContact O-CD2 2.98Å; D64-H66 PolarHBondContact O-N 3.13Å
67	V	90.8	Very high	91.1	Very high	25 Å²	25	57.4 Å²	57.4	15%	0.152	32%	0.315	C	S	.	.			trans	-93.3	-2.3	-179.6	-60.2	0	0	0	0	114.4	M61 A65 Y102	M61-V67 HydrophobicContact CB-CG2 3.58Å; M61-V67 HydrophobicContact CG-CG2 4.03Å; M61-V67 HydrophobicContact SD-CG1 4.31Å; M61-V67 HydrophobicContact SD-CG2 3.77Å; A65-V67 HydrophobicContact CB-CG1 4.15Å; A65-V67 HydrophobicContact CB-CG2 4.33Å; A65-V67 PolarHBondContact O-N 3.23Å; V67-Y102 HydrophobicContact CG1-CD2 3.69Å; V67-Y102 HydrophobicContact CG1-CE2 3.32Å; V67-Y102 HydrophobicContact CG1-CG 4.49Å
68	G	92.7	Very high	90.7	Very high	18 Å²	18	55.3 Å²	55.3	19%	0.186	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.1	-137.7	-176.4	0	0	0	0	0	112.5	D35 Y70	D35-G68 CarbonylContact O-C 3.45Å; D35-G68 WeakPolarHBondContact O-CA 3.48Å; G68-Y70 VanDerWaalsContact C-N 3.28Å; G68-Y70 PolarHBondContact O-N 3.22Å
69	N	94.5	Very high	90.3	Very high	6 Å²	6	58.1 Å²	58.1	3%	0.032	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87	17.2	177.4	73.1	-9.1	0	0	0	114.4	P34 D35 P36 P38 A47 Y51 Y58	P34-N69 WeakPolarHBondContact CA-OD1 3.36Å; D35-N69 WeakPolarHBondContact CB-ND2 3.13Å; D35-N69 PolarHBondContact N-OD1 3.21Å; D35-N69 PolarHBondContact O-N 3.12Å; D35-N69 PolarHBondContact O-OD1 3.25Å; D35-N69 PolarHBondContact OD2-ND2 2.66Å; P36-N69 WeakPolarHBondContact O-CB 3.29Å; P38-N69 HydrophobicContact CG-CB 4.43Å; A47-N69 HydrophobicContact CB-CB 4.07Å; Y51-N69 WeakPolarHBondContact CE2-O 3.21Å; Y51-N69 PolarHBondContact OH-OD1 3.32Å; Y58-N69 VanDerWaalsContact OH-C 3.27Å; Y58-N69 PolarHBondContact OH-O 2.8Å
70	Y	94.6	Very high	90	Very high	45 Å²	45	58 Å²	58	18%	0.176	31%	0.312	C	S	.	.			trans	-64.6	136.4	179.8	-154.2	-100.5	0	0	0	111.4	P34 Y51 G68 M100	P34-Y70 HydrophobicContact CG-CD2 4.08Å; Y51-Y70 HydrophobicContact CD1-CE2 4.48Å; Y51-Y70 AromaticContact CE1-CD2 3.66Å; Y51-Y70 HydrophobicContact CE1-CD2 3.66Å; Y51-Y70 AromaticContact CE1-CE2 3.74Å; Y51-Y70 HydrophobicContact CE1-CE2 3.74Å; Y51-Y70 AromaticContact CZ-CD2 3.83Å; G68-Y70 VanDerWaalsContact C-N 3.28Å; G68-Y70 PolarHBondContact O-N 3.22Å; Y70-M100 WeakPolarHBondContact CE1-O 3.44Å; Y70-M100 VanDerWaalsContact CZ-O 3.32Å; Y70-M100 WeakPolarHBondContact OH-CB 2.94Å; Y70-M100 PolarHBondContact OH-N 3.4Å; Y70-M100 PolarHBondContact OH-O 3.01Å
71	P	94.5	Very high	90	Very high	1 Å²	1	58.3 Å²	58.3	1%	0.006	31%	0.311	C	S	.	.	B	Isolated β-bridge	trans	-72.6	146.2	-177.9	29.2	-34.6	0	0	0	111.9	Y51 L53 Y58 V59 L73 P99	Y51-P71 HydrophobicContact CD1-CG 4.26Å; Y51-P71 HydrophobicContact CD2-CG 4.25Å; Y51-P71 HydrophobicContact CG-CG 4Å; L53-P71 HydrophobicContact CD1-CB 3.54Å; L53-P71 HydrophobicContact CD1-CG 3.84Å; Y58-P71 HydrophobicContact CD2-CB 3.93Å; Y58-P71 HydrophobicContact CE2-CB 3.89Å; V59-P71 CarbonylContact O-C 3.57Å; V59-P71 WeakPolarHBondContact O-CA 3.48Å; P71-L73 HydrophobicContact CB-CD2 4.08Å; P71-L73 HydrophobicContact CG-CD2 4.08Å; P71-L73 HydrophobicContact CG-CG 4.34Å; P71-L73 PolarHBondContact O-N 3.24Å; P71-P99 HydrophobicContact CG-CB 4.4Å
72	D	93.8	Very high	90	Very high	69 Å²	69	61.5 Å²	61.5	37%	0.369	33%	0.328	S	S	.	.			trans	-84.8	97.3	164.6	-169.3	2.7	0	0	0	109.6	V59 M61 G74	V59-D72 HydrophobicContact CB-CB 4.35Å; V59-D72 HydrophobicContact CG1-CB 4.3Å; V59-D72 PolarHBondContact O-N 2.97Å; M61-D72 HydrophobicContact CE-CB 4.05Å; M61-D72 HydrophobicContact CG-CB 3.85Å; D72-G74 PolarHBondContact O-N 3.42Å; D72-G74 PolarHBondContact OD1-N 2.9Å
73	L	91.5	Very high	90	Very high	52 Å²	52	60.5 Å²	60.5	27%	0.272	32%	0.322	S	S	.	.			trans	-81.7	3.1	176.6	-55.9	178.4	0	0	0	112.6	L53 P71 P99 M100 P101	L53-L73 HydrophobicContact CD1-CD2 4.02Å; L53-L73 HydrophobicContact CD2-CD2 4.37Å; P71-L73 HydrophobicContact CB-CD2 4.08Å; P71-L73 HydrophobicContact CG-CD2 4.08Å; P71-L73 HydrophobicContact CG-CG 4.34Å; P71-L73 PolarHBondContact O-N 3.24Å; L73-P99 VanDerWaalsContact CD1-C 3.49Å; L73-P99 HydrophobicContact CD1-CB 3.85Å; L73-P99 HydrophobicContact CD1-CG 3.83Å; L73-P99 WeakPolarHBondContact CD1-O 3.5Å; L73-P99 HydrophobicContact CD2-CB 4.49Å; L73-P99 HydrophobicContact CD2-CG 3.91Å; L73-M100 VanDerWaalsContact CD1-C 3.41Å; L73-M100 WeakPolarHBondContact CD1-O 2.98Å; L73-P101 HydrophobicContact CD1-CG 4.41Å
74	G	87.9	Confident	90.2	Very high	33 Å²	33	65 Å²	65	34%	0.34	34%	0.34	S	S	.	.			trans	71	-170.9	-171.9	0	0	0	0	0	113.1	D72 L76	D72-G74 PolarHBondContact O-N 3.42Å; D72-G74 PolarHBondContact OD1-N 2.9Å; G74-L76 PolarHBondContact O-N 3.11Å
75	L	83.6	Confident	90.3	Very high	96 Å²	96	63.4 Å²	63.4	50%	0.503	33%	0.328	S	S	.	.	S	Bend	trans	-98.5	60.1	-177.6	-59.3	165	0	0	0	109.4	N77 M103 I107 F114	L75-N77 PolarHBondContact O-OD1 2.99Å; L75-M103 HydrophobicContact CD2-SD 3.82Å; L75-I107 HydrophobicContact CB-CD1 4.3Å; L75-I107 HydrophobicContact CD2-CD1 3.46Å; L75-I107 VanDerWaalsContact CD2-CD1 3.46Å; L75-I107 HydrophobicContact CG-CD1 4.46Å; L75-F114 HydrophobicContact CB-CE1 3.93Å; L75-F114 HydrophobicContact CB-CZ 3.46Å; L75-F114 VanDerWaalsContact CB-CZ 3.46Å; L75-F114 HydrophobicContact CD1-CZ 4.42Å; L75-F114 WeakPolarHBondContact O-CZ 3.24Å
76	L	81.5	Confident	90.6	Very high	82 Å²	82	68.4 Å²	68.4	43%	0.429	35%	0.35	S	S	.	.			trans	-81.3	124	175.8	-174.1	67	0	0	0	110.1	G74 L80 K81	G74-L76 PolarHBondContact O-N 3.11Å; L76-L80 HydrophobicContact CD1-CB 3.78Å; L76-L80 HydrophobicContact CD1-CD1 4.26Å; L76-K81 HydrophobicContact CD2-CD 4.37Å; L76-K81 HydrophobicContact CD2-CG 3.99Å; L76-K81 HydrophobicContact CG-CG 4.29Å
77	N	82.2	Confident	90.9	Very high	3 Å²	3	62.2 Å²	62.2	2%	0.016	32%	0.319	C	S	.	.			trans	-96.3	156.1	-177.7	-58.3	-11.1	0	0	0	111.2	L75 D79 L80 I107 F114	L75-N77 PolarHBondContact O-OD1 2.99Å; N77-D79 PolarHBondContact O-N 2.73Å; N77-L80 HydrophobicContact CB-CD1 4.25Å; N77-L80 HydrophobicContact CB-CG 4.31Å; N77-L80 PolarHBondContact O-N 3.09Å; N77-L80 VanDerWaalsContact O-N 3.08Å; N77-I107 HydrophobicContact CB-CG2 4.16Å; N77-I107 WeakPolarHBondContact OD1-CG2 3.24Å; N77-F114 WeakPolarHBondContact ND2-CD1 3.39Å; N77-F114 WeakPolarHBondContact ND2-CE1 3.42Å; N77-F114 VanDerWaalsContact ND2-CG 3.27Å; N77-F114 WeakPolarHBondContact ND2-CG 3.32Å; N77-F114 PolarHBondContact ND2-N 3.43Å; N77-F114 PolarHBondContact ND2-O 3.2Å; N77-F114 VanDerWaalsContact OD1-CE1 3.24Å; N77-F114 WeakPolarHBondContact OD1-CE1 3.32Å
78	Y	87.9	Confident	91.1	Very high	53 Å²	53	64.5 Å²	64.5	21%	0.208	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-50.3	-45.4	173.4	174.3	-95.9	0	0	0	112.4	L80 K81 G91 M92 R93 A109	Y78-L80 PolarHBondContact O-N 2.72Å; Y78-K81 PolarHBondContact O-N 3.3Å; Y78-G91 VanDerWaalsContact CE2-O 3.25Å; Y78-G91 WeakPolarHBondContact CE2-O 3.25Å; Y78-M92 VanDerWaalsContact CD2-C 3.41Å; Y78-R93 HydrophobicContact CD2-CB 3.98Å; Y78-R93 HydrophobicContact CD2-CG 3.96Å; Y78-R93 HydrophobicContact CE2-CB 3.9Å; Y78-R93 HydrophobicContact CE2-CG 3.45Å; Y78-R93 VanDerWaalsContact CE2-CG 3.45Å; Y78-R93 WeakPolarHBondContact O-CD 3.25Å; Y78-R93 PolarHBondContact O-NH1 3.42Å; Y78-A109 HydrophobicContact CD1-CB 3.49Å; Y78-A109 VanDerWaalsContact CD1-CB 3.49Å; Y78-A109 HydrophobicContact CD2-CB 3.76Å; Y78-A109 HydrophobicContact CE1-CB 3.85Å; Y78-A109 HydrophobicContact CE2-CB 4.09Å; Y78-A109 HydrophobicContact CG-CB 3.44Å; Y78-A109 VanDerWaalsContact CG-CB 3.44Å
79	D	87.5	Confident	91.1	Very high	68 Å²	68	68.3 Å²	68.3	36%	0.364	35%	0.346	S	S	.	.	G	3₁₀ helix	trans	-67.7	-22.4	-177.6	-67	-32.6	0	0	0	114.1	N77 K81 T113 T115	N77-D79 PolarHBondContact O-N 2.73Å; D79-K81 VanDerWaalsContact C-N 3.33Å; D79-T113 WeakPolarHBondContact OD2-CB 2.77Å; D79-T113 WeakPolarHBondContact OD2-CG2 3.27Å; D79-T113 PolarHBondContact OD2-OG1 2.6Å; D79-T115 HydrophobicContact CB-CG2 3.78Å
80	L	88.5	Confident	90.9	Very high	79 Å²	79	73 Å²	73	41%	0.414	37%	0.371	S	S	.	.	G	3₁₀ helix	trans	-82.7	-13.4	179.1	-68.4	175.7	0	0	0	112.7	L76 N77 Y78 T115	L76-L80 HydrophobicContact CD1-CB 3.78Å; L76-L80 HydrophobicContact CD1-CD1 4.26Å; N77-L80 HydrophobicContact CB-CD1 4.25Å; N77-L80 HydrophobicContact CB-CG 4.31Å; N77-L80 PolarHBondContact O-N 3.09Å; N77-L80 VanDerWaalsContact O-N 3.08Å; Y78-L80 PolarHBondContact O-N 2.72Å; L80-T115 HydrophobicContact CD2-CG2 4.44Å
81	K	90.9	Very high	90.6	Very high	32 Å²	32	73.4 Å²	73.4	14%	0.139	39%	0.389	C	S	.	.	S	Bend	trans	-84.4	151.3	175.8	-66.9	-171.1	168.1	-166.2	0	111.1	L76 Y78 D79 P83 W87 R93 E98	L76-K81 HydrophobicContact CD2-CD 4.37Å; L76-K81 HydrophobicContact CD2-CG 3.99Å; L76-K81 HydrophobicContact CG-CG 4.29Å; Y78-K81 PolarHBondContact O-N 3.3Å; D79-K81 VanDerWaalsContact C-N 3.33Å; K81-P83 WeakPolarHBondContact O-CD 3.36Å; K81-W87 HydrophobicContact CB-CH2 4.45Å; K81-W87 HydrophobicContact CB-CZ2 4.03Å; K81-W87 HydrophobicContact CD-CH2 4.22Å; K81-W87 HydrophobicContact CD-CZ2 4.46Å; K81-R93 HydrophobicContact CB-CB 3.93Å; K81-R93 HydrophobicContact CD-CB 3.97Å; K81-R93 WeakPolarHBondContact CD-O 3.5Å; K81-R93 WeakPolarHBondContact CE-O 3.17Å; K81-R93 PolarHBondContact NZ-O 2.79Å; K81-R93 PolarHBondContact O-NH1 2.88Å; K81-E98 IonicContact NZ-OE1 2.72Å; K81-E98 PolarHBondContact NZ-OE1 3.36Å; K81-E98 IonicContact NZ-OE2 3.53Å
82	D	92.7	Very high	90.2	Very high	83 Å²	83	76.7 Å²	76.7	44%	0.444	41%	0.405	S	S	.	.			trans	-59.6	120.8	179.9	-168	-16.1	0	0	0	111.2	Y84 E85 W87	D82-Y84 VanDerWaalsContact C-N 3.26Å; D82-Y84 PolarHBondContact O-N 3.01Å; D82-Y84 WeakPolarHBondContact OD1-CD2 3.03Å; D82-Y84 PolarHBondContact OD1-N 3.43Å; D82-E85 HydrophobicContact CB-CB 4.31Å; D82-W87 PolarHBondContact O-NE1 3.09Å
83	P	92.9	Very high	90.1	Very high	68 Å²	68	75.1 Å²	75.1	44%	0.442	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-16.1	174.9	27.8	-34.7	0	0	0	114.7	K81	K81-P83 WeakPolarHBondContact O-CD 3.36Å
84	Y	94.9	Very high	90.1	Very high	210 Å²	210	74.5 Å²	74.5	82%	0.824	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.3	-6	-171.3	-56.4	-66.5	0	0	0	114.3	D82	D82-Y84 VanDerWaalsContact C-N 3.26Å; D82-Y84 PolarHBondContact O-N 3.01Å; D82-Y84 WeakPolarHBondContact OD1-CD2 3.03Å; D82-Y84 PolarHBondContact OD1-N 3.43Å
85	E	94.9	Very high	90.4	Very high	103 Å²	103	75.4 Å²	75.4	48%	0.481	39%	0.385	S	S	.	.	S	Bend	trans	-69.9	146.3	172.2	-177.4	66.8	-168.9	0	0	110.6	D82 W87	D82-E85 HydrophobicContact CB-CB 4.31Å; E85-W87 HydrophobicContact CB-CD2 4.37Å; E85-W87 HydrophobicContact CB-CZ2 3.93Å; E85-W87 HydrophobicContact CG-CD2 4.25Å; E85-W87 HydrophobicContact CG-CH2 4.47Å; E85-W87 HydrophobicContact CG-CZ2 4.15Å; E85-W87 PolarHBondContact O-N 3.18Å; E85-W87 VanDerWaalsContact O-N 3.12Å
86	D	96.1	Very high	90.8	Very high	145 Å²	145	76 Å²	76	78%	0.775	38%	0.384	S	S	*	.			trans	-81.3	85.6	176.5	-170.4	20.9	0	0	0	110.1
87	W	95	Very high	91.2	Very high	36 Å²	36	77.3 Å²	77.3	14%	0.136	39%	0.391	C	S	.	.			trans	-77.4	144.1	-175	-62.4	99.8	0	0	0	111.7	K81 D82 E85 Y89 D90 R93 N95	K81-W87 HydrophobicContact CB-CH2 4.45Å; K81-W87 HydrophobicContact CB-CZ2 4.03Å; K81-W87 HydrophobicContact CD-CH2 4.22Å; K81-W87 HydrophobicContact CD-CZ2 4.46Å; D82-W87 PolarHBondContact O-NE1 3.09Å; E85-W87 HydrophobicContact CB-CD2 4.37Å; E85-W87 HydrophobicContact CB-CZ2 3.93Å; E85-W87 HydrophobicContact CG-CD2 4.25Å; E85-W87 HydrophobicContact CG-CH2 4.47Å; E85-W87 HydrophobicContact CG-CZ2 4.15Å; E85-W87 PolarHBondContact O-N 3.18Å; E85-W87 VanDerWaalsContact O-N 3.12Å; W87-Y89 PolarHBondContact O-N 3.41Å; W87-D90 VanDerWaalsContact O-OD1 3.04Å; W87-R93 HydrophobicContact CD2-CB 3.99Å; W87-R93 HydrophobicContact CG-CB 4.15Å; W87-R93 HydrophobicContact CG-CG 4.4Å; W87-R93 HydrophobicContact CZ2-CB 4.16Å; W87-N95 WeakPolarHBondContact CA-OD1 3.38Å
88	S	95.6	Very high	91.7	Very high	72 Å²	72	80 Å²	80	50%	0.503	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-28.7	170.8	-47.9	0	0	0	0	112.8	R94 N95 F96	S88-R94 PolarHBondContact N-O 3.07Å; S88-N95 PolarHBondContact N-OD1 2.99Å; S88-N95 VanDerWaalsContact N-OD1 3.11Å; S88-F96 VanDerWaalsContact CB-N 3.35Å; S88-F96 PolarHBondContact OG-N 3.23Å
89	Y	91.9	Very high	91.9	Very high	99 Å²	99	78.5 Å²	78.5	39%	0.388	40%	0.401	S	S	.	.	B	Isolated β-bridge	trans	-129.9	82.6	176.1	-58.8	-82.3	0	0	0	110	W87 G91 M92 R93 R94 F96	W87-Y89 PolarHBondContact O-N 3.41Å; Y89-G91 VanDerWaalsContact C-N 3.32Å; Y89-G91 PolarHBondContact O-N 3.23Å; Y89-M92 CarbonylContact O-C 3.56Å; Y89-M92 PolarHBondContact O-N 3.38Å; Y89-R93 PolarHBondContact O-N 2.76Å; Y89-R94 VanDerWaalsContact CD2-NH2 3.3Å; Y89-R94 WeakPolarHBondContact CD2-O 3.17Å; Y89-R94 VanDerWaalsContact CE2-NH2 3.3Å; Y89-R94 PolarHBondContact N-O 3.23Å; Y89-R94 PolarHBondContact O-N 3.45Å; Y89-F96 HydrophobicContact CE2-CD2 4.47Å
90	D	90.6	Very high	92	Very high	103 Å²	103	77.3 Å²	77.3	55%	0.551	39%	0.393	S	S	*	.	G	3₁₀ helix	trans	-48.9	-47.8	-176.7	-66.4	-21.5	0	0	0	114	W87 M92 R93	W87-D90 VanDerWaalsContact O-OD1 3.04Å; D90-M92 PolarHBondContact O-N 3.12Å; D90-R93 PolarHBondContact O-N 3.08Å; D90-R93 VanDerWaalsContact O-N 3.08Å
91	G	87.7	Confident	92.1	Very high	55 Å²	55	74.9 Å²	74.9	57%	0.567	38%	0.382	S	S	*	.	G	3₁₀ helix	trans	-62.4	-14.5	-178.1	0	0	0	0	0	114.5	Y78 Y89	Y78-G91 VanDerWaalsContact CE2-O 3.25Å; Y78-G91 WeakPolarHBondContact CE2-O 3.25Å; Y89-G91 VanDerWaalsContact C-N 3.32Å; Y89-G91 PolarHBondContact O-N 3.23Å
92	M	86.5	Confident	92	Very high	69 Å²	69	79.8 Å²	79.8	34%	0.34	40%	0.401	S	S	.	.	G	3₁₀ helix	trans	-119.7	-1.5	178.4	-55.4	-173.9	172.3	0	0	113.1	Y78 Y89 D90 R94 F104	Y78-M92 VanDerWaalsContact CD2-C 3.41Å; Y89-M92 CarbonylContact O-C 3.56Å; Y89-M92 PolarHBondContact O-N 3.38Å; D90-M92 PolarHBondContact O-N 3.12Å; M92-R94 VanDerWaalsContact C-N 3.33Å; M92-R94 HydrophobicContact CB-CB 4.26Å; M92-R94 PolarHBondContact O-N 2.99Å; M92-F104 HydrophobicContact CB-CZ 4.36Å; M92-F104 HydrophobicContact CG-CZ 4.3Å; M92-F104 HydrophobicContact SD-CE1 4.09Å; M92-F104 HydrophobicContact SD-CZ 3.69Å
93	R	91.6	Very high	91.8	Very high	37 Å²	37	79.4 Å²	79.4	14%	0.14	40%	0.397	C	S	.	.	T	Hydrogen-bonded Turn	trans	44.7	57.6	-170.7	-70.2	178.6	-164.2	169.2	11.1	111.5	Y78 K81 W87 Y89 D90	Y78-R93 HydrophobicContact CD2-CB 3.98Å; Y78-R93 HydrophobicContact CD2-CG 3.96Å; Y78-R93 HydrophobicContact CE2-CB 3.9Å; Y78-R93 HydrophobicContact CE2-CG 3.45Å; Y78-R93 VanDerWaalsContact CE2-CG 3.45Å; Y78-R93 WeakPolarHBondContact O-CD 3.25Å; Y78-R93 PolarHBondContact O-NH1 3.42Å; K81-R93 HydrophobicContact CB-CB 3.93Å; K81-R93 HydrophobicContact CD-CB 3.97Å; K81-R93 WeakPolarHBondContact CD-O 3.5Å; K81-R93 WeakPolarHBondContact CE-O 3.17Å; K81-R93 PolarHBondContact NZ-O 2.79Å; K81-R93 PolarHBondContact O-NH1 2.88Å; W87-R93 HydrophobicContact CD2-CB 3.99Å; W87-R93 HydrophobicContact CG-CB 4.15Å; W87-R93 HydrophobicContact CG-CG 4.4Å; W87-R93 HydrophobicContact CZ2-CB 4.16Å; Y89-R93 PolarHBondContact O-N 2.76Å; D90-R93 PolarHBondContact O-N 3.08Å; D90-R93 VanDerWaalsContact O-N 3.08Å
94	R	91.8	Very high	91.6	Very high	39 Å²	39	78.2 Å²	78.2	15%	0.147	39%	0.385	C	S	.	.	B	Isolated β-bridge	trans	-139.8	141.5	-174	-173.4	-178.8	60.6	85.7	-0.5	111.5	S88 Y89 M92 E98 M100	S88-R94 PolarHBondContact N-O 3.07Å; Y89-R94 VanDerWaalsContact CD2-NH2 3.3Å; Y89-R94 WeakPolarHBondContact CD2-O 3.17Å; Y89-R94 VanDerWaalsContact CE2-NH2 3.3Å; Y89-R94 PolarHBondContact N-O 3.23Å; Y89-R94 PolarHBondContact O-N 3.45Å; M92-R94 VanDerWaalsContact C-N 3.33Å; M92-R94 HydrophobicContact CB-CB 4.26Å; M92-R94 PolarHBondContact O-N 2.99Å; R94-E98 HydrophobicContact CG-CB 4Å; R94-E98 HydrophobicContact CG-CG 4.39Å; R94-E98 WeakPolarHBondContact CG-OE2 3.25Å; R94-M100 WeakPolarHBondContact CD-SD 3.17Å; R94-M100 PolarHBondContact NE-SD 3.35Å
95	N	93.9	Very high	91.2	Very high	51 Å²	51	74.2 Å²	74.2	27%	0.273	38%	0.378	S	S	.	.			trans	-91.3	157.3	176.8	-72.2	-32.4	0	0	0	113.1	W87 S88 E98	W87-N95 WeakPolarHBondContact CA-OD1 3.38Å; S88-N95 PolarHBondContact N-OD1 2.99Å; S88-N95 VanDerWaalsContact N-OD1 3.11Å; N95-E98 PolarHBondContact N-OE2 3.03Å; N95-E98 WeakPolarHBondContact O-CB 3.46Å; N95-E98 PolarHBondContact O-N 3.4Å
96	F	92.3	Very high	90.9	Very high	108 Å²	108	73.6 Å²	73.6	47%	0.474	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	138.3	172.3	-173.6	-99.3	0	0	0	110.2	W27 S88 Y89 E98	W27-F96 HydrophobicContact CH2-CE1 4.27Å; W27-F96 HydrophobicContact CH2-CE2 4.2Å; W27-F96 AromaticContact CH2-CZ 3.45Å; W27-F96 HydrophobicContact CH2-CZ 3.45Å; W27-F96 VanDerWaalsContact CH2-CZ 3.45Å; W27-F96 HydrophobicContact CZ2-CE1 4.12Å; W27-F96 AromaticContact CZ2-CZ 3.74Å; W27-F96 HydrophobicContact CZ2-CZ 3.74Å; S88-F96 VanDerWaalsContact CB-N 3.35Å; S88-F96 PolarHBondContact OG-N 3.23Å; Y89-F96 HydrophobicContact CE2-CD2 4.47Å; F96-E98 PolarHBondContact O-N 2.85Å
97	N	90.5	Very high	90.5	Very high	111 Å²	111	67.2 Å²	67.2	59%	0.594	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	63	5.6	-173.4	-65.1	-23.5	0	0	0	117.3
98	E	91.8	Very high	89.9	Confident	60 Å²	60	67.2 Å²	67.2	28%	0.28	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-69	130.6	168	-168.9	-174.4	156.8	0	0	109.8	K81 R94 N95 F96	K81-E98 IonicContact NZ-OE1 2.72Å; K81-E98 PolarHBondContact NZ-OE1 3.36Å; K81-E98 IonicContact NZ-OE2 3.53Å; R94-E98 HydrophobicContact CG-CB 4Å; R94-E98 HydrophobicContact CG-CG 4.39Å; R94-E98 WeakPolarHBondContact CG-OE2 3.25Å; N95-E98 PolarHBondContact N-OE2 3.03Å; N95-E98 WeakPolarHBondContact O-CB 3.46Å; N95-E98 PolarHBondContact O-N 3.4Å; F96-E98 PolarHBondContact O-N 2.85Å
99	P	91.6	Very high	89.3	Confident	21 Å²	21	65.6 Å²	65.6	14%	0.136	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-65.2	148.7	176.3	29.3	-35.2	0	0	0	110.7	L53 P71 L73	L53-P99 HydrophobicContact CD2-CG 4.19Å; L53-P99 HydrophobicContact CG-CG 4.39Å; P71-P99 HydrophobicContact CG-CB 4.4Å; L73-P99 VanDerWaalsContact CD1-C 3.49Å; L73-P99 HydrophobicContact CD1-CB 3.85Å; L73-P99 HydrophobicContact CD1-CG 3.83Å; L73-P99 WeakPolarHBondContact CD1-O 3.5Å; L73-P99 HydrophobicContact CD2-CB 4.49Å; L73-P99 HydrophobicContact CD2-CG 3.91Å
100	M	90.5	Very high	89	Confident	42 Å²	42	66.6 Å²	66.6	21%	0.207	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-91	144	-178.3	-59.3	-59.7	-56.1	0	0	110.5	Y70 L73 R94 F104	Y70-M100 WeakPolarHBondContact CE1-O 3.44Å; Y70-M100 VanDerWaalsContact CZ-O 3.32Å; Y70-M100 WeakPolarHBondContact OH-CB 2.94Å; Y70-M100 PolarHBondContact OH-N 3.4Å; Y70-M100 PolarHBondContact OH-O 3.01Å; L73-M100 VanDerWaalsContact CD1-C 3.41Å; L73-M100 WeakPolarHBondContact CD1-O 2.98Å; R94-M100 WeakPolarHBondContact CD-SD 3.17Å; R94-M100 PolarHBondContact NE-SD 3.35Å; M100-F104 HydrophobicContact CE-CB 4.1Å; M100-F104 HydrophobicContact CE-CD1 3.32Å; M100-F104 HydrophobicContact CE-CD2 3.18Å; M100-F104 HydrophobicContact CE-CE1 3.28Å; M100-F104 HydrophobicContact CE-CE2 3.14Å; M100-F104 HydrophobicContact CE-CG 3.23Å; M100-F104 HydrophobicContact CE-CZ 3.16Å
101	P	90.1	Very high	88.8	Confident	28 Å²	28	68.9 Å²	68.9	18%	0.182	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-62.5	143.2	168.5	-23.6	34	0	0	0	110.7	L73 M103 F104	L73-P101 HydrophobicContact CD1-CG 4.41Å; P101-M103 PolarHBondContact O-N 3.44Å; P101-F104 WeakPolarHBondContact O-CB 3.25Å; P101-F104 PolarHBondContact O-N 2.83Å
102	Y	88.9	Confident	88.7	Confident	135 Å²	135	72.7 Å²	72.7	53%	0.529	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54	-39	177.5	171	-113.3	0	0	0	112.9	M61 V67 F104	M61-Y102 HydrophobicContact CE-CD1 4.3Å; M61-Y102 HydrophobicContact CE-CG 3.95Å; M61-Y102 HydrophobicContact SD-CD1 4.17Å; M61-Y102 HydrophobicContact SD-CD2 4.47Å; M61-Y102 HydrophobicContact SD-CG 3.92Å; V67-Y102 HydrophobicContact CG1-CD2 3.69Å; V67-Y102 HydrophobicContact CG1-CE2 3.32Å; V67-Y102 HydrophobicContact CG1-CG 4.49Å; Y102-F104 VanDerWaalsContact C-N 3.3Å; Y102-F104 PolarHBondContact O-N 3.21Å
103	M	88.4	Confident	88.4	Confident	76 Å²	76	72 Å²	72	37%	0.374	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	20.4	-179.4	-57.2	-175.6	83.2	0	0	113.4	L75 P101 N105 M106 I107	L75-M103 HydrophobicContact CD2-SD 3.82Å; P101-M103 PolarHBondContact O-N 3.44Å; M103-N105 PolarHBondContact O-N 2.78Å; M103-N105 VanDerWaalsContact O-N 3.09Å; M103-M106 HydrophobicContact CE-CE 3.21Å; M103-M106 HydrophobicContact CE-SD 3.7Å; M103-M106 PolarHBondContact O-N 3.27Å; M103-M106 HydrophobicContact SD-CE 4.2Å; M103-I107 HydrophobicContact CB-CD1 4.35Å; M103-I107 PolarHBondContact O-N 3.16Å
104	F	88.4	Confident	87.8	Confident	43 Å²	43	73.3 Å²	73.3	19%	0.189	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-32	-176	-176.3	-104.1	0	0	0	114.1	M92 M100 P101 Y102 M106 I107 H108	M92-F104 HydrophobicContact CB-CZ 4.36Å; M92-F104 HydrophobicContact CG-CZ 4.3Å; M92-F104 HydrophobicContact SD-CE1 4.09Å; M92-F104 HydrophobicContact SD-CZ 3.69Å; M100-F104 HydrophobicContact CE-CB 4.1Å; M100-F104 HydrophobicContact CE-CD1 3.32Å; M100-F104 HydrophobicContact CE-CD2 3.18Å; M100-F104 HydrophobicContact CE-CE1 3.28Å; M100-F104 HydrophobicContact CE-CE2 3.14Å; M100-F104 HydrophobicContact CE-CG 3.23Å; M100-F104 HydrophobicContact CE-CZ 3.16Å; P101-F104 WeakPolarHBondContact O-CB 3.25Å; P101-F104 PolarHBondContact O-N 2.83Å; Y102-F104 VanDerWaalsContact C-N 3.3Å; Y102-F104 PolarHBondContact O-N 3.21Å; F104-M106 VanDerWaalsContact C-N 3.28Å; F104-M106 PolarHBondContact O-N 3.19Å; F104-I107 CarbonylContact O-C 3.44Å; F104-H108 AromaticContact CE1-CE1 3.57Å; F104-H108 AromaticContact CE1-ND1 3.63Å; F104-H108 AromaticContact CE2-CE1 3.91Å; F104-H108 AromaticContact CE2-ND1 3.59Å; F104-H108 AromaticContact CZ-CE1 3.17Å; F104-H108 WeakPolarHBondContact CZ-CE1 3.45Å; F104-H108 AromaticContact CZ-ND1 3.25Å; F104-H108 VanDerWaalsContact CZ-ND1 3.25Å; F104-H108 WeakPolarHBondContact CZ-ND1 3.49Å
105	N	87.5	Confident	87.3	Confident	126 Å²	126	73.5 Å²	73.5	67%	0.674	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-22.6	176.2	-73.5	-32.1	0	0	0	113.6	M103 R111	M103-N105 PolarHBondContact O-N 2.78Å; M103-N105 VanDerWaalsContact O-N 3.09Å; N105-R111 WeakPolarHBondContact O-CD 2.98Å; N105-R111 VanDerWaalsContact O-CZ 3.3Å; N105-R111 PolarHBondContact O-NE 2.63Å; N105-R111 PolarHBondContact O-NH1 2.88Å
106	M	89.2	Confident	86.7	Confident	90 Å²	90	74.2 Å²	74.2	44%	0.443	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-41.7	177.9	-172.4	-177.5	79.3	0	0	110.6	M103 F104 R111 Y112	M103-M106 HydrophobicContact CE-CE 3.21Å; M103-M106 HydrophobicContact CE-SD 3.7Å; M103-M106 PolarHBondContact O-N 3.27Å; M103-M106 HydrophobicContact SD-CE 4.2Å; F104-M106 VanDerWaalsContact C-N 3.28Å; F104-M106 PolarHBondContact O-N 3.19Å; M106-R111 VanDerWaalsContact O-CB 3.25Å; M106-R111 WeakPolarHBondContact O-CB 3.15Å; M106-Y112 WeakPolarHBondContact O-CB 3.47Å; M106-Y112 PolarHBondContact O-N 3.03Å
107	I	86.3	Confident	86.3	Confident	11 Å²	11	76.1 Å²	76.1	6%	0.056	39%	0.392	C	S	.	.	S	Bend	trans	-103.8	90.6	-176.2	-66.4	172.8	0	0	0	107.4	L75 N77 M103 F104 Y112 F114	L75-I107 HydrophobicContact CB-CD1 4.3Å; L75-I107 HydrophobicContact CD2-CD1 3.46Å; L75-I107 VanDerWaalsContact CD2-CD1 3.46Å; L75-I107 HydrophobicContact CG-CD1 4.46Å; N77-I107 HydrophobicContact CB-CG2 4.16Å; N77-I107 WeakPolarHBondContact OD1-CG2 3.24Å; M103-I107 HydrophobicContact CB-CD1 4.35Å; M103-I107 PolarHBondContact O-N 3.16Å; F104-I107 CarbonylContact O-C 3.44Å; I107-Y112 WeakPolarHBondContact CA-O 3.11Å; I107-Y112 HydrophobicContact CG1-CD1 4.39Å; I107-F114 HydrophobicContact CD1-CE1 4.15Å
108	H	83.1	Confident	86	Confident	36 Å²	36	75.2 Å²	75.2	17%	0.167	38%	0.384	C	S	.	.	S	Bend	trans	-137.1	165.7	-176.7	-155.6	48.3	0	0	0	110.3	F104 D110 R111	F104-H108 AromaticContact CE1-CE1 3.57Å; F104-H108 AromaticContact CE1-ND1 3.63Å; F104-H108 AromaticContact CE2-CE1 3.91Å; F104-H108 AromaticContact CE2-ND1 3.59Å; F104-H108 AromaticContact CZ-CE1 3.17Å; F104-H108 WeakPolarHBondContact CZ-CE1 3.45Å; F104-H108 AromaticContact CZ-ND1 3.25Å; F104-H108 VanDerWaalsContact CZ-ND1 3.25Å; F104-H108 WeakPolarHBondContact CZ-ND1 3.49Å; H108-D110 IonicContact CD2-OD1 3.07Å; H108-D110 PolarHBondContact CD2-OD1 3.27Å; H108-D110 IonicContact CG-OD1 3.63Å; H108-D110 PolarHBondContact O-N 3.08Å; H108-D110 VanDerWaalsContact O-N 3.16Å; H108-R111 HydrophobicContact CB-CB 4.12Å; H108-R111 HydrophobicContact CB-CG 4.17Å; H108-R111 PolarHBondContact O-N 3.32Å
109	A	82.1	Confident	85.7	Confident	38 Å²	38	83.1 Å²	83.1	31%	0.314	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-34.3	-176.3	0	0	0	0	0	113.4	Y78	Y78-A109 HydrophobicContact CD1-CB 3.49Å; Y78-A109 VanDerWaalsContact CD1-CB 3.49Å; Y78-A109 HydrophobicContact CD2-CB 3.76Å; Y78-A109 HydrophobicContact CE1-CB 3.85Å; Y78-A109 HydrophobicContact CE2-CB 4.09Å; Y78-A109 HydrophobicContact CG-CB 3.44Å; Y78-A109 VanDerWaalsContact CG-CB 3.44Å
110	D	86.3	Confident	85.6	Confident	120 Å²	120	85 Å²	85	64%	0.642	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100	2	-178.7	66.8	-33.7	0	0	0	113.6	H108	H108-D110 IonicContact CD2-OD1 3.07Å; H108-D110 PolarHBondContact CD2-OD1 3.27Å; H108-D110 IonicContact CG-OD1 3.63Å; H108-D110 PolarHBondContact O-N 3.08Å; H108-D110 VanDerWaalsContact O-N 3.16Å
111	R	87	Confident	85.6	Confident	151 Å²	151	85.3 Å²	85.3	57%	0.57	43%	0.427	S	S	*	.	S	Bend	trans	-119.1	-133.8	-171.5	-65.8	-179.9	-175.1	-138.5	-4.6	111.8	N105 M106 H108 T113	N105-R111 WeakPolarHBondContact O-CD 2.98Å; N105-R111 VanDerWaalsContact O-CZ 3.3Å; N105-R111 PolarHBondContact O-NE 2.63Å; N105-R111 PolarHBondContact O-NH1 2.88Å; M106-R111 VanDerWaalsContact O-CB 3.25Å; M106-R111 WeakPolarHBondContact O-CB 3.15Å; H108-R111 HydrophobicContact CB-CB 4.12Å; H108-R111 HydrophobicContact CB-CG 4.17Å; H108-R111 PolarHBondContact O-N 3.32Å; R111-T113 PolarHBondContact O-N 3.35Å
112	Y	85.1	Confident	85.6	Confident	134 Å²	134	89.1 Å²	89.1	53%	0.525	45%	0.452	S	S	.	.			trans	-78.7	113.1	-177	-172.1	-100.1	0	0	0	109.1	M106 I107 F114	M106-Y112 WeakPolarHBondContact O-CB 3.47Å; M106-Y112 PolarHBondContact O-N 3.03Å; I107-Y112 WeakPolarHBondContact CA-O 3.11Å; I107-Y112 HydrophobicContact CG1-CD1 4.39Å; Y112-F114 HydrophobicContact CD1-CD1 4.25Å; Y112-F114 AromaticContact CE1-CD1 3.84Å; Y112-F114 HydrophobicContact CE1-CD1 3.84Å
113	T	80.1	Confident	85.7	Confident	56 Å²	56	93.1 Å²	93.1	34%	0.344	47%	0.466	S	S	.	.			trans	-117.2	140.1	174.1	-169.1	0	0	0	0	110	D79 R111	D79-T113 WeakPolarHBondContact OD2-CB 2.77Å; D79-T113 WeakPolarHBondContact OD2-CG2 3.27Å; D79-T113 PolarHBondContact OD2-OG1 2.6Å; R111-T113 PolarHBondContact O-N 3.35Å
114	F	79	Confident	85.9	Confident	64 Å²	64	94.2 Å²	94.2	28%	0.281	47%	0.47	S	S	.	.			trans	-136	124.2	168.8	68.4	-89.3	0	0	0	108.8	L75 N77 I107 Y112 E118	L75-F114 HydrophobicContact CB-CE1 3.93Å; L75-F114 HydrophobicContact CB-CZ 3.46Å; L75-F114 VanDerWaalsContact CB-CZ 3.46Å; L75-F114 HydrophobicContact CD1-CZ 4.42Å; L75-F114 WeakPolarHBondContact O-CZ 3.24Å; N77-F114 WeakPolarHBondContact ND2-CD1 3.39Å; N77-F114 WeakPolarHBondContact ND2-CE1 3.42Å; N77-F114 VanDerWaalsContact ND2-CG 3.27Å; N77-F114 WeakPolarHBondContact ND2-CG 3.32Å; N77-F114 PolarHBondContact ND2-N 3.43Å; N77-F114 PolarHBondContact ND2-O 3.2Å; N77-F114 VanDerWaalsContact OD1-CE1 3.24Å; N77-F114 WeakPolarHBondContact OD1-CE1 3.32Å; I107-F114 HydrophobicContact CD1-CE1 4.15Å; Y112-F114 HydrophobicContact CD1-CD1 4.25Å; Y112-F114 AromaticContact CE1-CD1 3.84Å; Y112-F114 HydrophobicContact CE1-CD1 3.84Å; F114-E118 VanDerWaalsContact CA-OE1 3.24Å; F114-E118 WeakPolarHBondContact CA-OE1 3.49Å
115	T	82.1	Confident	86.2	Confident	42 Å²	42	93.8 Å²	93.8	26%	0.258	47%	0.474	S	S	.	.			trans	-106.3	-15.9	-178.4	54.4	0	0	0	0	111.4	D79 L80 L117 E118	D79-T115 HydrophobicContact CB-CG2 3.78Å; L80-T115 HydrophobicContact CD2-CG2 4.44Å; T115-L117 PolarHBondContact O-N 3Å; T115-L117 VanDerWaalsContact O-N 3.15Å; T115-L117 WeakPolarHBondContact OG1-CB 3.5Å; T115-L117 PolarHBondContact OG1-N 3.22Å; T115-E118 PolarHBondContact N-OE1 2.69Å; T115-E118 PolarHBondContact OG1-OE1 3.23Å
116	G	81.1	Confident	86.6	Confident	66 Å²	66	94.1 Å²	94.1	68%	0.68	47%	0.47	S	S	*	.	S	Bend	trans	68.6	-0.8	-166.2	0	0	0	0	0	112.8	E118	G116-E118 WeakPolarHBondContact CA-OE2 3.2Å; G116-E118 PolarHBondContact N-OE2 2.93Å
117	L	82.9	Confident	86.9	Confident	149 Å²	149	97.5 Å²	97.5	78%	0.78	48%	0.478	S	S	*	.			trans	-99.9	7	176.8	-60.4	171.1	0	0	0	111.2	T115 Y119	T115-L117 PolarHBondContact O-N 3Å; T115-L117 VanDerWaalsContact O-N 3.15Å; T115-L117 WeakPolarHBondContact OG1-CB 3.5Å; T115-L117 PolarHBondContact OG1-N 3.22Å; L117-Y119 PolarHBondContact O-N 3.15Å
118	E	85	Confident	87.4	Confident	92 Å²	92	100.1 Å²	100.1	43%	0.43	49%	0.492	S	S	.	.			trans	-60.2	132	175.6	-60.3	79.3	-165.6	0	0	109.8	F114 T115 G116 M120	F114-E118 VanDerWaalsContact CA-OE1 3.24Å; F114-E118 WeakPolarHBondContact CA-OE1 3.49Å; T115-E118 PolarHBondContact N-OE1 2.69Å; T115-E118 PolarHBondContact OG1-OE1 3.23Å; G116-E118 WeakPolarHBondContact CA-OE2 3.2Å; G116-E118 PolarHBondContact N-OE2 2.93Å; E118-M120 PolarHBondContact O-N 2.87Å
119	Y	84.7	Confident	88	Confident	226 Å²	226	102.7 Å²	102.7	89%	0.886	51%	0.506	S	S	*	.	S	Bend	trans	-55.4	-22.9	177.9	176.9	-98.6	0	0	0	113.1	L117	L117-Y119 PolarHBondContact O-N 3.15Å
120	M	89	Confident	88.8	Confident	59 Å²	59	105.5 Å²	105.5	29%	0.291	52%	0.515	S	S	.	.	S	Bend	trans	-140.9	135.2	-172.6	-168.7	172.2	-60.4	0	0	111	E118 Q124 A125 N128	E118-M120 PolarHBondContact O-N 2.87Å; M120-Q124 HydrophobicContact CG-CB 3.31Å; M120-Q124 HydrophobicContact CG-CG 4.45Å; M120-Q124 VanDerWaalsContact SD-C 3.58Å; M120-Q124 HydrophobicContact SD-CB 3.93Å; M120-A125 HydrophobicContact CG-CB 4.37Å; M120-A125 VanDerWaalsContact SD-CA 3.55Å; M120-A125 HydrophobicContact SD-CB 4.13Å; M120-A125 PolarHBondContact SD-N 3.49Å; M120-A125 VanDerWaalsContact SD-N 3.42Å; M120-N128 WeakPolarHBondContact CE-ND2 3.35Å; M120-N128 HydrophobicContact SD-CB 4.5Å; M120-N128 PolarHBondContact SD-ND2 3.33Å
121	S	90.6	Very high	89.3	Confident	50 Å²	50	104.1 Å²	104.1	35%	0.35	51%	0.511	S	S	.	.			trans	-66.5	152.7	174	66.1	0	0	0	0	111.3	R123 Q124 A125	S121-R123 PolarHBondContact O-N 3.34Å; S121-R123 VanDerWaalsContact O-N 3.11Å; S121-Q124 WeakPolarHBondContact O-CB 3.43Å; S121-Q124 PolarHBondContact O-N 2.96Å; S121-Q124 WeakPolarHBondContact OG-CB 3.21Å; S121-Q124 WeakPolarHBondContact OG-CG 3.32Å; S121-Q124 PolarHBondContact OG-N 3.33Å; S121-Q124 PolarHBondContact OG-OE1 3.35Å; S121-A125 PolarHBondContact O-N 2.9Å
122	P	90	Very high	89.7	Confident	108 Å²	108	102.7 Å²	102.7	70%	0.701	51%	0.512	S	S	*	.	H	α-helix	trans	-54.8	-35.1	179	-28.8	35	0	0	0	113.8	F126	P122-F126 WeakPolarHBondContact O-CB 3.42Å; P122-F126 PolarHBondContact O-N 2.94Å
123	R	91	Very high	90.3	Very high	219 Å²	219	101.9 Å²	101.9	83%	0.826	51%	0.512	S	S	*	.	H	α-helix	trans	-68	-40.3	176.3	-67.4	-176.4	-176.9	169.2	1.7	112.3	S121 R127	S121-R123 PolarHBondContact O-N 3.34Å; S121-R123 VanDerWaalsContact O-N 3.11Å; R123-R127 WeakPolarHBondContact O-CB 3.46Å; R123-R127 PolarHBondContact O-N 3.14Å
124	Q	94.2	Very high	91.1	Very high	98 Å²	98	101.3 Å²	101.3	46%	0.458	52%	0.516	S	S	.	.	H	α-helix	trans	-68.3	-42.1	175.7	-74.2	163.1	-28.8	0	0	111	M120 S121 F126 R127 N128	M120-Q124 HydrophobicContact CG-CB 3.31Å; M120-Q124 HydrophobicContact CG-CG 4.45Å; M120-Q124 VanDerWaalsContact SD-C 3.58Å; M120-Q124 HydrophobicContact SD-CB 3.93Å; S121-Q124 WeakPolarHBondContact O-CB 3.43Å; S121-Q124 PolarHBondContact O-N 2.96Å; S121-Q124 WeakPolarHBondContact OG-CB 3.21Å; S121-Q124 WeakPolarHBondContact OG-CG 3.32Å; S121-Q124 PolarHBondContact OG-N 3.33Å; S121-Q124 PolarHBondContact OG-OE1 3.35Å; Q124-F126 PolarHBondContact O-N 3.2Å; Q124-R127 PolarHBondContact O-N 3.49Å; Q124-N128 WeakPolarHBondContact O-CB 3.39Å; Q124-N128 VanDerWaalsContact O-CG 3.26Å; Q124-N128 PolarHBondContact O-N 3.48Å; Q124-N128 PolarHBondContact O-OD1 2.89Å
125	A	93.4	Very high	92	Very high	34 Å²	34	100 Å²	100	28%	0.281	52%	0.521	S	S	.	.	H	α-helix	trans	-59.1	-47.6	174.3	0	0	0	0	0	111.1	M120 S121 R127 N128 I129	M120-A125 HydrophobicContact CG-CB 4.37Å; M120-A125 VanDerWaalsContact SD-CA 3.55Å; M120-A125 HydrophobicContact SD-CB 4.13Å; M120-A125 PolarHBondContact SD-N 3.49Å; M120-A125 VanDerWaalsContact SD-N 3.42Å; S121-A125 PolarHBondContact O-N 2.9Å; A125-R127 PolarHBondContact O-N 3.42Å; A125-N128 PolarHBondContact O-N 2.95Å; A125-I129 VanDerWaalsContact O-CG1 3.32Å; A125-I129 WeakPolarHBondContact O-CG1 3.41Å; A125-I129 PolarHBondContact O-N 3.25Å
126	F	95.5	Very high	92.7	Very high	133 Å²	133	104.1 Å²	104.1	58%	0.583	54%	0.535	S	S	*	.	H	α-helix	trans	-60.9	-46.1	176.8	-175.4	-112.9	0	0	0	112.6	P122 Q124 N128 I129 L130	P122-F126 WeakPolarHBondContact O-CB 3.42Å; P122-F126 PolarHBondContact O-N 2.94Å; Q124-F126 PolarHBondContact O-N 3.2Å; F126-N128 VanDerWaalsContact C-N 3.32Å; F126-N128 PolarHBondContact O-N 3.11Å; F126-I129 PolarHBondContact O-N 2.97Å; F126-L130 HydrophobicContact CD1-CD1 3.93Å; F126-L130 HydrophobicContact CE1-CD1 3.45Å; F126-L130 VanDerWaalsContact CE1-CD1 3.45Å; F126-L130 HydrophobicContact CE1-CG 4.21Å; F126-L130 HydrophobicContact CE2-CD1 4.48Å; F126-L130 HydrophobicContact CE2-CG 4.41Å; F126-L130 HydrophobicContact CZ-CD1 3.77Å; F126-L130 HydrophobicContact CZ-CD2 4.3Å; F126-L130 HydrophobicContact CZ-CG 4.14Å; F126-L130 WeakPolarHBondContact O-CG 3.4Å; F126-L130 PolarHBondContact O-N 2.96Å
127	R	96.9	Very high	93.5	Very high	162 Å²	162	106.1 Å²	106.1	61%	0.611	53%	0.53	S	S	*	.	H	α-helix	trans	-55.8	-46.4	173.4	175.7	-171.4	169.8	-134.3	0.2	111.5	R123 Q124 A125 L130 V131	R123-R127 WeakPolarHBondContact O-CB 3.46Å; R123-R127 PolarHBondContact O-N 3.14Å; Q124-R127 PolarHBondContact O-N 3.49Å; A125-R127 PolarHBondContact O-N 3.42Å; R127-L130 PolarHBondContact O-N 3.4Å; R127-V131 HydrophobicContact CG-CG2 4.39Å; R127-V131 WeakPolarHBondContact O-CG2 3.37Å; R127-V131 PolarHBondContact O-N 3.11Å
128	N	96	Very high	94.1	Very high	66 Å²	66	100.7 Å²	100.7	35%	0.353	51%	0.51	S	S	.	.	H	α-helix	trans	-66.7	-39	-177.4	-73.9	-3.1	0	0	0	112	M120 Q124 A125 F126 V131 M132	M120-N128 WeakPolarHBondContact CE-ND2 3.35Å; M120-N128 HydrophobicContact SD-CB 4.5Å; M120-N128 PolarHBondContact SD-ND2 3.33Å; Q124-N128 WeakPolarHBondContact O-CB 3.39Å; Q124-N128 VanDerWaalsContact O-CG 3.26Å; Q124-N128 PolarHBondContact O-N 3.48Å; Q124-N128 PolarHBondContact O-OD1 2.89Å; A125-N128 PolarHBondContact O-N 2.95Å; F126-N128 VanDerWaalsContact C-N 3.32Å; F126-N128 PolarHBondContact O-N 3.11Å; N128-V131 PolarHBondContact O-N 2.83Å; N128-M132 WeakPolarHBondContact O-CB 3.4Å; N128-M132 PolarHBondContact O-N 3.35Å
129	I	96.7	Very high	94.5	Very high	89 Å²	89	101.8 Å²	101.8	46%	0.456	52%	0.518	S	S	.	.	H	α-helix	trans	-59.8	-47.7	172.2	-69.8	168.4	0	0	0	109.9	A125 F126 V131 M132 F133	A125-I129 VanDerWaalsContact O-CG1 3.32Å; A125-I129 WeakPolarHBondContact O-CG1 3.41Å; A125-I129 PolarHBondContact O-N 3.25Å; F126-I129 PolarHBondContact O-N 2.97Å; I129-V131 VanDerWaalsContact C-N 3.35Å; I129-V131 PolarHBondContact O-N 3.27Å; I129-M132 PolarHBondContact O-N 3.44Å; I129-F133 HydrophobicContact CG2-CD2 3.69Å; I129-F133 HydrophobicContact CG2-CE2 3.95Å; I129-F133 WeakPolarHBondContact O-CD2 3.39Å; I129-F133 PolarHBondContact O-N 2.91Å
130	L	97.4	Very high	95	Very high	97 Å²	97	94.2 Å²	94.2	51%	0.508	49%	0.492	S	S	.	.	H	α-helix	trans	-62.7	-39.1	177.7	-71.1	179.4	0	0	0	112.9	F126 R127 G134	F126-L130 HydrophobicContact CD1-CD1 3.93Å; F126-L130 HydrophobicContact CE1-CD1 3.45Å; F126-L130 VanDerWaalsContact CE1-CD1 3.45Å; F126-L130 HydrophobicContact CE1-CG 4.21Å; F126-L130 HydrophobicContact CE2-CD1 4.48Å; F126-L130 HydrophobicContact CE2-CG 4.41Å; F126-L130 HydrophobicContact CZ-CD1 3.77Å; F126-L130 HydrophobicContact CZ-CD2 4.3Å; F126-L130 HydrophobicContact CZ-CG 4.14Å; F126-L130 WeakPolarHBondContact O-CG 3.4Å; F126-L130 PolarHBondContact O-N 2.96Å; R127-L130 PolarHBondContact O-N 3.4Å; L130-G134 VanDerWaalsContact O-CA 3.27Å; L130-G134 WeakPolarHBondContact O-CA 3.42Å; L130-G134 PolarHBondContact O-N 3.12Å
131	V	97.1	Very high	95.2	Very high	92 Å²	92	99.3 Å²	99.3	56%	0.558	51%	0.508	S	S	*	.	H	α-helix	trans	-66.7	-41.6	176	170.6	0	0	0	0	110.9	R127 N128 I129 G135	R127-V131 HydrophobicContact CG-CG2 4.39Å; R127-V131 WeakPolarHBondContact O-CG2 3.37Å; R127-V131 PolarHBondContact O-N 3.11Å; N128-V131 PolarHBondContact O-N 2.83Å; I129-V131 VanDerWaalsContact C-N 3.35Å; I129-V131 PolarHBondContact O-N 3.27Å; V131-G135 VanDerWaalsContact O-CA 3.31Å; V131-G135 WeakPolarHBondContact O-CA 3.45Å; V131-G135 PolarHBondContact O-N 3.08Å
132	M	96.9	Very high	95.3	Very high	121 Å²	121	100.5 Å²	100.5	60%	0.596	51%	0.51	S	S	*	.	H	α-helix	trans	-65.6	-53.8	178.8	-172.7	-172.7	75.7	0	0	111.3	N128 I129 F136	N128-M132 WeakPolarHBondContact O-CB 3.4Å; N128-M132 PolarHBondContact O-N 3.35Å; I129-M132 PolarHBondContact O-N 3.44Å; M132-F136 WeakPolarHBondContact O-CB 3.39Å; M132-F136 PolarHBondContact O-N 2.88Å
133	F	97.2	Very high	95.4	Very high	117 Å²	117	98 Å²	98	51%	0.513	50%	0.495	S	S	.	.	H	α-helix	trans	-68.6	-44.8	179.9	-81.9	-78.7	0	0	0	112.2	I129 F136 L137	I129-F133 HydrophobicContact CG2-CD2 3.69Å; I129-F133 HydrophobicContact CG2-CE2 3.95Å; I129-F133 WeakPolarHBondContact O-CD2 3.39Å; I129-F133 PolarHBondContact O-N 2.91Å; F133-F136 PolarHBondContact O-N 3.33Å; F133-L137 WeakPolarHBondContact O-CB 3.27Å; F133-L137 VanDerWaalsContact O-CG 3.27Å; F133-L137 WeakPolarHBondContact O-CG 3.27Å; F133-L137 PolarHBondContact O-N 3.48Å
134	G	97.1	Very high	95.3	Very high	43 Å²	43	94.2 Å²	94.2	44%	0.443	49%	0.485	S	S	.	.	H	α-helix	trans	-64.4	-40.9	177.9	0	0	0	0	0	112.1	L130 G138	L130-G134 VanDerWaalsContact O-CA 3.27Å; L130-G134 WeakPolarHBondContact O-CA 3.42Å; L130-G134 PolarHBondContact O-N 3.12Å; G134-G138 WeakPolarHBondContact O-CA 3.17Å; G134-G138 PolarHBondContact O-N 2.9Å
135	G	96.8	Very high	95	Very high	36 Å²	36	95.4 Å²	95.4	37%	0.371	49%	0.491	S	S	.	.	H	α-helix	trans	-64.7	-45.4	173.6	0	0	0	0	0	112.1	V131 G138 L139	V131-G135 VanDerWaalsContact O-CA 3.31Å; V131-G135 WeakPolarHBondContact O-CA 3.45Å; V131-G135 PolarHBondContact O-N 3.08Å; G135-G138 PolarHBondContact O-N 3Å; G135-L139 WeakPolarHBondContact O-CB 3.27Å; G135-L139 VanDerWaalsContact O-CG 3.28Å; G135-L139 WeakPolarHBondContact O-CG 3.33Å; G135-L139 PolarHBondContact O-N 2.8Å
136	F	97.2	Very high	94.8	Very high	129 Å²	129	99.7 Å²	99.7	57%	0.566	51%	0.508	S	S	*	.	H	α-helix	trans	-64	-47.5	178.4	-175	-110.2	0	0	0	112.5	M132 F133 G138 L139 I140	M132-F136 WeakPolarHBondContact O-CB 3.39Å; M132-F136 PolarHBondContact O-N 2.88Å; F133-F136 PolarHBondContact O-N 3.33Å; F136-G138 VanDerWaalsContact C-N 3.32Å; F136-G138 PolarHBondContact O-N 2.86Å; F136-L139 PolarHBondContact O-N 3.01Å; F136-I140 HydrophobicContact CD1-CD1 3.93Å; F136-I140 HydrophobicContact CE1-CD1 3.5Å; F136-I140 HydrophobicContact CZ-CD1 3.85Å; F136-I140 WeakPolarHBondContact O-CG1 3.32Å; F136-I140 PolarHBondContact O-N 3.27Å
137	L	97.1	Very high	94.4	Very high	109 Å²	109	98.8 Å²	98.8	57%	0.571	51%	0.508	S	S	*	.	H	α-helix	trans	-64.7	-38	175.2	-69.2	174.8	0	0	0	111.7	F133 I140 W141	F133-L137 WeakPolarHBondContact O-CB 3.27Å; F133-L137 VanDerWaalsContact O-CG 3.27Å; F133-L137 WeakPolarHBondContact O-CG 3.27Å; F133-L137 PolarHBondContact O-N 3.48Å; L137-I140 PolarHBondContact O-N 2.83Å; L137-W141 WeakPolarHBondContact O-CB 3.47Å; L137-W141 PolarHBondContact O-N 3.36Å
138	G	95.9	Very high	93.5	Very high	34 Å²	34	95 Å²	95	35%	0.351	50%	0.504	S	S	.	.	H	α-helix	trans	-62	-40.8	174	0	0	0	0	0	112.5	G134 G135 F136 W141 L142	G134-G138 WeakPolarHBondContact O-CA 3.17Å; G134-G138 PolarHBondContact O-N 2.9Å; G135-G138 PolarHBondContact O-N 3Å; F136-G138 VanDerWaalsContact C-N 3.32Å; F136-G138 PolarHBondContact O-N 2.86Å; G138-W141 PolarHBondContact O-N 2.88Å; G138-L142 WeakPolarHBondContact O-CB 3.21Å; G138-L142 PolarHBondContact O-N 3.18Å
139	L	94.8	Very high	92.3	Very high	116 Å²	116	97.5 Å²	97.5	61%	0.607	52%	0.522	S	S	*	.	H	α-helix	trans	-66.2	-41.7	174.5	-74.6	169.5	0	0	0	112.2	G135 F136 W141 L142 S143	G135-L139 WeakPolarHBondContact O-CB 3.27Å; G135-L139 VanDerWaalsContact O-CG 3.28Å; G135-L139 WeakPolarHBondContact O-CG 3.33Å; G135-L139 PolarHBondContact O-N 2.8Å; F136-L139 PolarHBondContact O-N 3.01Å; L139-W141 VanDerWaalsContact C-N 3.35Å; L139-L142 PolarHBondContact O-N 2.78Å; L139-S143 VanDerWaalsContact O-CB 3.26Å; L139-S143 WeakPolarHBondContact O-CB 3.38Å; L139-S143 PolarHBondContact O-N 2.88Å; L139-S143 PolarHBondContact O-OG 3.07Å
140	I	93.4	Very high	91.2	Very high	66 Å²	66	99.7 Å²	99.7	34%	0.338	54%	0.535	S	S	.	.	H	α-helix	trans	-62.3	-44.9	174	-68.9	170.6	0	0	0	110.5	F136 L137 S143 K144	F136-I140 HydrophobicContact CD1-CD1 3.93Å; F136-I140 HydrophobicContact CE1-CD1 3.5Å; F136-I140 HydrophobicContact CZ-CD1 3.85Å; F136-I140 WeakPolarHBondContact O-CG1 3.32Å; F136-I140 PolarHBondContact O-N 3.27Å; L137-I140 PolarHBondContact O-N 2.83Å; I140-S143 WeakPolarHBondContact CA-OG 3.45Å; I140-S143 PolarHBondContact O-OG 3.1Å; I140-K144 WeakPolarHBondContact O-CG 3.2Å; I140-K144 PolarHBondContact O-N 3.38Å; I140-K144 VanDerWaalsContact O-N 3.15Å
141	W	93.3	Very high	89.9	Confident	166 Å²	166	103.1 Å²	103.1	63%	0.629	55%	0.548	S	S	*	.	H	α-helix	trans	-63.8	-47.7	178.5	177.9	84.3	0	0	0	111.4	L137 G138 L139 K144 Q145	L137-W141 WeakPolarHBondContact O-CB 3.47Å; L137-W141 PolarHBondContact O-N 3.36Å; G138-W141 PolarHBondContact O-N 2.88Å; L139-W141 VanDerWaalsContact C-N 3.35Å; W141-K144 PolarHBondContact O-N 3.44Å; W141-Q145 HydrophobicContact CD2-CG 4.38Å; W141-Q145 HydrophobicContact CH2-CG 4.45Å; W141-Q145 HydrophobicContact CZ2-CG 4.14Å; W141-Q145 WeakPolarHBondContact O-CG 3.31Å; W141-Q145 PolarHBondContact O-N 2.93Å
142	L	94	Very high	88.5	Confident	75 Å²	75	105.6 Å²	105.6	39%	0.393	56%	0.564	S	S	.	*	H	α-helix	trans	-64.5	-41.9	179.8	-175.5	66.6	0	0	0	112.1	G138 L139 K144 Q145 L146	G138-L142 WeakPolarHBondContact O-CB 3.21Å; G138-L142 PolarHBondContact O-N 3.18Å; L139-L142 PolarHBondContact O-N 2.78Å; L142-K144 VanDerWaalsContact C-N 3.32Å; L142-K144 PolarHBondContact O-N 2.85Å; L142-Q145 PolarHBondContact O-N 3.14Å; L142-Q145 VanDerWaalsContact O-N 3.1Å; L142-L146 HydrophobicContact CD1-CD1 3.79Å; L142-L146 HydrophobicContact CD1-CG 3.92Å; L142-L146 HydrophobicContact CD2-CD1 4.1Å; L142-L146 HydrophobicContact CG-CD1 3.65Å; L142-L146 HydrophobicContact CG-CG 4.1Å; L142-L146 WeakPolarHBondContact O-CB 3.39Å; L142-L146 WeakPolarHBondContact O-CG 3.33Å; L142-L146 PolarHBondContact O-N 3.01Å
143	S	91.5	Very high	87.2	Confident	56 Å²	56	104.1 Å²	104.1	39%	0.392	56%	0.563	S	S	.	*	H	α-helix	trans	-61.9	-39.2	177	57.1	0	0	0	0	111.9	L139 I140 Q145 I147	L139-S143 VanDerWaalsContact O-CB 3.26Å; L139-S143 WeakPolarHBondContact O-CB 3.38Å; L139-S143 PolarHBondContact O-N 2.88Å; L139-S143 PolarHBondContact O-OG 3.07Å; I140-S143 WeakPolarHBondContact CA-OG 3.45Å; I140-S143 PolarHBondContact O-OG 3.1Å; S143-Q145 VanDerWaalsContact C-N 3.29Å; S143-Q145 PolarHBondContact O-N 3.47Å; S143-I147 CarbonylContact O-C 3.34Å; S143-I147 WeakPolarHBondContact O-CA 3.48Å; S143-I147 PolarHBondContact O-N 3.09Å; S143-I147 VanDerWaalsContact O-O 3.07Å
144	K	88.7	Confident	86.2	Confident	140 Å²	140	105.1 Å²	105.1	61%	0.609	57%	0.567	S	S	*	*	H	α-helix	trans	-63.5	-31.8	173.1	-74.8	-176.2	173.9	-171.9	0	113.5	I140 W141 L142	I140-K144 WeakPolarHBondContact O-CG 3.2Å; I140-K144 PolarHBondContact O-N 3.38Å; I140-K144 VanDerWaalsContact O-N 3.15Å; W141-K144 PolarHBondContact O-N 3.44Å; L142-K144 VanDerWaalsContact C-N 3.32Å; L142-K144 PolarHBondContact O-N 2.85Å
145	Q	87.8	Confident	85.4	Confident	123 Å²	123	108.6 Å²	108.6	58%	0.575	58%	0.582	S	S	*	*	H	α-helix	trans	-80.9	-40.4	178.3	-62.1	-55.5	-40.6	0	0	112.7	W141 L142 S143	W141-Q145 HydrophobicContact CD2-CG 4.38Å; W141-Q145 HydrophobicContact CH2-CG 4.45Å; W141-Q145 HydrophobicContact CZ2-CG 4.14Å; W141-Q145 WeakPolarHBondContact O-CG 3.31Å; W141-Q145 PolarHBondContact O-N 2.93Å; L142-Q145 PolarHBondContact O-N 3.14Å; L142-Q145 VanDerWaalsContact O-N 3.1Å; S143-Q145 VanDerWaalsContact C-N 3.29Å; S143-Q145 PolarHBondContact O-N 3.47Å
146	L	90.2	Very high	84.7	Confident	124 Å²	124	114.3 Å²	114.3	65%	0.649	60%	0.596	S	S	*	*	H	α-helix	trans	-84	-34.8	-176.4	-66	-179.4	0	0	0	113.1	L142	L142-L146 HydrophobicContact CD1-CD1 3.79Å; L142-L146 HydrophobicContact CD1-CG 3.92Å; L142-L146 HydrophobicContact CD2-CD1 4.1Å; L142-L146 HydrophobicContact CG-CD1 3.65Å; L142-L146 HydrophobicContact CG-CG 4.1Å; L142-L146 WeakPolarHBondContact O-CB 3.39Å; L142-L146 WeakPolarHBondContact O-CG 3.33Å; L142-L146 PolarHBondContact O-N 3.01Å
147	I	85.8	Confident	84.2	Confident	114 Å²	114	113.1 Å²	113.1	59%	0.585	59%	0.593	S	S	*	*	S	Bend	trans	-127.3	76.3	-178.5	-48.9	172	0	0	0	106.3	S143 T149	S143-I147 CarbonylContact O-C 3.34Å; S143-I147 WeakPolarHBondContact O-CA 3.48Å; S143-I147 PolarHBondContact O-N 3.09Å; S143-I147 VanDerWaalsContact O-O 3.07Å; I147-T149 VanDerWaalsContact C-N 3.3Å; I147-T149 HydrophobicContact CG2-CG2 4.15Å; I147-T149 PolarHBondContact O-N 3.17Å
148	P	78.8	Confident	83.7	Confident	82 Å²	82	113.2 Å²	113.2	53%	0.532	59%	0.586	S	S	.	*			trans	-60.2	102.2	169.9	25.7	-31.9	0	0	0	107.1	N150	P148-N150 PolarHBondContact O-N 2.87Å
149	T	71.8	Confident	83.3	Confident	119 Å²	119	114.5 Å²	114.5	73%	0.73	59%	0.593	S	S	*	*			trans	-76.9	57.2	173.9	43.3	0	0	0	0	108.3	I147 E151	I147-T149 VanDerWaalsContact C-N 3.3Å; I147-T149 HydrophobicContact CG2-CG2 4.15Å; I147-T149 PolarHBondContact O-N 3.17Å; T149-E151 PolarHBondContact O-N 2.89Å; T149-E151 VanDerWaalsContact O-N 3.17Å
150	N	72.4	Confident	83	Confident	134 Å²	134	112.8 Å²	112.8	72%	0.717	58%	0.579	S	S	*	*			trans	-67.9	113.6	157.6	-63.8	-17.2	0	0	0	103.4	P148 V152	P148-N150 PolarHBondContact O-N 2.87Å; N150-V152 PolarHBondContact O-N 2.84Å
151	E	69.8	Low	82.9	Confident	169 Å²	169	112 Å²	112	79%	0.79	58%	0.576	S	S	*	*			trans	-50	145.7	166.5	-55.5	-175.6	162	0	0	106.7	T149 P153	T149-E151 PolarHBondContact O-N 2.89Å; T149-E151 VanDerWaalsContact O-N 3.17Å; E151-P153 HydrophobicContact CB-CG 4.12Å; E151-P153 WeakPolarHBondContact O-CD 3.02Å
152	V	67.5	Low	82.7	Confident	145 Å²	145	109.6 Å²	109.6	88%	0.879	57%	0.568	S	S	*	*			trans	-94.6	39.1	176	-160	0	0	0	0	111	N150 K154	N150-V152 PolarHBondContact O-N 2.84Å; V152-K154 PolarHBondContact O-N 3.48Å
153	P	70.3	Confident	82.4	Confident	89 Å²	89	114.4 Å²	114.4	58%	0.578	59%	0.588	S	S	*	*			trans	-67.8	127.5	159	29.4	-24.3	0	0	0	104.5	E151	E151-P153 HydrophobicContact CB-CG 4.12Å; E151-P153 WeakPolarHBondContact O-CD 3.02Å
154	K	75.5	Confident	82.2	Confident	139 Å²	139	115.9 Å²	115.9	60%	0.604	59%	0.591	S	S	*	*			trans	-42.7	141.1	164.1	-64.3	177.1	-178.5	175.5	0	107.7	V152 K156 F181	V152-K154 PolarHBondContact O-N 3.48Å; K154-K156 PolarHBondContact O-N 3.35Å; K154-F181 HydrophobicContact CD-CE1 4.48Å; K154-F181 HydrophobicContact CD-CZ 4.01Å
155	P	80.4	Confident	82.2	Confident	116 Å²	116	109.4 Å²	109.4	75%	0.753	56%	0.563	S	S	*	*	P	Polyproline II helix	trans	-50.7	136	-179	22.5	-33.6	0	0	0	109.3	Q157	P155-Q157 PolarHBondContact O-N 2.84Å
156	K	83.6	Confident	82.2	Confident	156 Å²	156	113 Å²	113	68%	0.678	57%	0.572	S	S	*	*	P	Polyproline II helix	trans	-55.4	118	-177.5	-178	170.1	173	-174.4	0	109	K154 Y158	K154-K156 PolarHBondContact O-N 3.35Å; K156-Y158 HydrophobicContact CB-CE2 4.3Å; K156-Y158 HydrophobicContact CD-CE1 3.96Å; K156-Y158 HydrophobicContact CG-CE1 4.11Å; K156-Y158 HydrophobicContact CG-CE2 4.36Å; K156-Y158 WeakPolarHBondContact O-CD2 3.42Å
157	Q	85.2	Confident	82.3	Confident	104 Å²	104	110.4 Å²	110.4	49%	0.486	56%	0.562	S	S	.	*	P	Polyproline II helix	trans	-76.9	124.5	-179.4	-69.3	-178.8	-35.2	0	0	109.8	P155 H178	P155-Q157 PolarHBondContact O-N 2.84Å; Q157-H178 WeakPolarHBondContact CG-ND1 3.26Å; Q157-H178 PolarHBondContact NE2-ND1 3.34Å
158	Y	87.2	Confident	82.3	Confident	111 Å²	111	114.2 Å²	114.2	44%	0.435	58%	0.575	S	S	.	*			trans	-112.2	139.1	178.8	-68	-67.4	0	0	0	110.4	K156 Y160 Y162 H178	K156-Y158 HydrophobicContact CB-CE2 4.3Å; K156-Y158 HydrophobicContact CD-CE1 3.96Å; K156-Y158 HydrophobicContact CG-CE1 4.11Å; K156-Y158 HydrophobicContact CG-CE2 4.36Å; K156-Y158 WeakPolarHBondContact O-CD2 3.42Å; Y158-Y160 PolarHBondContact O-N 3.27Å; Y158-Y162 HydrophobicContact CD1-CD2 4.04Å; Y158-Y162 AromaticContact CD1-CE2 3.72Å; Y158-Y162 HydrophobicContact CD1-CE2 3.72Å; Y158-Y162 AromaticContact CG-CD2 3.89Å; Y158-Y162 HydrophobicContact CG-CD2 3.89Å; Y158-Y162 AromaticContact CG-CE2 3.88Å; Y158-Y162 HydrophobicContact CG-CE2 3.88Å; Y158-H178 PolarHBondContact N-NE2 3.5Å; Y158-H178 PolarHBondContact O-CD2 2.85Å; Y158-H178 VanDerWaalsContact O-CD2 3.32Å; Y158-H178 PolarHBondContact O-NE2 2.87Å
159	A	87	Confident	82.8	Confident	61 Å²	61	116 Å²	116	50%	0.504	57%	0.574	S	S	.	*	S	Bend	trans	-62.3	-24.7	-178.4	0	0	0	0	0	114.5	L176	A159-L176 PolarHBondContact O-N 3.06Å
160	Y	89.8	Confident	83.7	Confident	79 Å²	79	114.2 Å²	114.2	31%	0.31	56%	0.56	S	S	.	*	B	Isolated β-bridge	trans	-132.8	157.1	-176.9	-56.8	-69.7	0	0	0	110.6	Y158 Y162 P171 K172 F174	Y158-Y160 PolarHBondContact O-N 3.27Å; Y160-Y162 WeakPolarHBondContact O-CD2 3.42Å; Y160-Y162 PolarHBondContact O-N 3.21Å; Y160-Y162 VanDerWaalsContact O-N 3.07Å; Y160-P171 WeakPolarHBondContact CB-O 3.46Å; Y160-P171 WeakPolarHBondContact CD1-O 3.32Å; Y160-P171 HydrophobicContact CD2-CB 4.26Å; Y160-P171 HydrophobicContact CG-CB 4.05Å; Y160-K172 HydrophobicContact CE1-CB 4.43Å; Y160-K172 HydrophobicContact CE1-CG 4.34Å; Y160-F174 CarbonylContact C-O 3.56Å; Y160-F174 WeakPolarHBondContact CA-O 3.28Å
161	D	90.3	Very high	84.4	Confident	49 Å²	49	109.6 Å²	109.6	26%	0.262	54%	0.538	S	S	.	.			trans	-76.8	88.8	171	-159	-30.3	0	0	0	110.6	E163 L164 A165 F174 L176	D161-E163 VanDerWaalsContact C-N 3.27Å; D161-E163 PolarHBondContact O-N 3.15Å; D161-E163 PolarHBondContact OD1-N 3.43Å; D161-E163 VanDerWaalsContact OD1-N 3.14Å; D161-L164 HydrophobicContact CB-CB 3.99Å; D161-L164 VanDerWaalsContact CG-CB 3.5Å; D161-L164 PolarHBondContact OD1-N 3.4Å; D161-A165 VanDerWaalsContact O-CB 3.27Å; D161-A165 WeakPolarHBondContact O-CB 3.22Å; D161-A165 PolarHBondContact O-N 3.1Å; D161-A165 VanDerWaalsContact O-N 3.09Å; D161-F174 HydrophobicContact CB-CB 3.79Å; D161-F174 PolarHBondContact N-O 3.45Å; D161-L176 HydrophobicContact CB-CD1 3.35Å
162	Y	89.4	Confident	85.3	Confident	117 Å²	117	108.3 Å²	108.3	46%	0.459	53%	0.529	S	S	.	.	H	α-helix	trans	-68.8	-26.7	177.1	-63.9	-68.4	0	0	0	112.6	Y158 Y160 W166 P171	Y158-Y162 HydrophobicContact CD1-CD2 4.04Å; Y158-Y162 AromaticContact CD1-CE2 3.72Å; Y158-Y162 HydrophobicContact CD1-CE2 3.72Å; Y158-Y162 AromaticContact CG-CD2 3.89Å; Y158-Y162 HydrophobicContact CG-CD2 3.89Å; Y158-Y162 AromaticContact CG-CE2 3.88Å; Y158-Y162 HydrophobicContact CG-CE2 3.88Å; Y160-Y162 WeakPolarHBondContact O-CD2 3.42Å; Y160-Y162 PolarHBondContact O-N 3.21Å; Y160-Y162 VanDerWaalsContact O-N 3.07Å; Y162-W166 WeakPolarHBondContact O-CB 3.42Å; Y162-W166 PolarHBondContact O-N 3.3Å; Y162-P171 HydrophobicContact CD1-CB 3.93Å; Y162-P171 HydrophobicContact CD1-CG 3.87Å; Y162-P171 HydrophobicContact CE1-CB 3.81Å; Y162-P171 HydrophobicContact CE1-CG 3.88Å
163	E	87.6	Confident	86.3	Confident	176 Å²	176	106.8 Å²	106.8	82%	0.822	52%	0.516	S	S	*	.	H	α-helix	trans	-69.8	-41.2	178.7	-64.4	-172.6	176.2	0	0	110.8	D161	D161-E163 VanDerWaalsContact C-N 3.27Å; D161-E163 PolarHBondContact O-N 3.15Å; D161-E163 PolarHBondContact OD1-N 3.43Å; D161-E163 VanDerWaalsContact OD1-N 3.14Å
164	L	87.5	Confident	87.2	Confident	86 Å²	86	105 Å²	105	45%	0.45	50%	0.499	S	S	.	.	H	α-helix	trans	-75.7	-30.3	177.5	-170.2	62.1	0	0	0	113.2	D161 F174	D161-L164 HydrophobicContact CB-CB 3.99Å; D161-L164 VanDerWaalsContact CG-CB 3.5Å; D161-L164 PolarHBondContact OD1-N 3.4Å; L164-F174 HydrophobicContact CB-CG 4.5Å; L164-F174 HydrophobicContact CD2-CB 4.49Å; L164-F174 HydrophobicContact CD2-CD1 3.34Å; L164-F174 HydrophobicContact CD2-CE1 3.68Å; L164-F174 HydrophobicContact CD2-CG 4Å; L164-F174 HydrophobicContact CG-CD1 3.9Å; L164-F174 HydrophobicContact CG-CE1 3.95Å; L164-F174 HydrophobicContact CG-CG 4.29Å; L164-F174 HydrophobicContact CG-CZ 4.41Å
165	A	89.3	Confident	87.9	Confident	4 Å²	4	102.7 Å²	102.7	3%	0.033	50%	0.499	C	S	.	.	H	α-helix	trans	-72.8	-30.3	175.7	0	0	0	0	0	112.5	D161 F168 K169 P171 F174	D161-A165 VanDerWaalsContact O-CB 3.27Å; D161-A165 WeakPolarHBondContact O-CB 3.22Å; D161-A165 PolarHBondContact O-N 3.1Å; D161-A165 VanDerWaalsContact O-N 3.09Å; A165-F168 PolarHBondContact O-N 2.82Å; A165-K169 WeakPolarHBondContact O-CB 3.41Å; A165-K169 PolarHBondContact O-N 3.4Å; A165-P171 HydrophobicContact CB-CB 4.14Å; A165-P171 HydrophobicContact CB-CG 4.01Å; A165-F174 HydrophobicContact CB-CD2 3.96Å; A165-F174 HydrophobicContact CB-CE2 4.3Å
166	W	87.1	Confident	88.2	Confident	200 Å²	200	100.7 Å²	100.7	76%	0.758	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	141.8	177	-174.6	-101.6	0	0	0	111.2	Y162	Y162-W166 WeakPolarHBondContact O-CB 3.42Å; Y162-W166 PolarHBondContact O-N 3.3Å
167	P	91.5	Very high	88.2	Confident	68 Å²	68	98.3 Å²	98.3	44%	0.442	48%	0.48	S	S	.	.	T	Hydrogen-bonded Turn	cis	-88.7	-17.9	-4.1	27.4	-28.5	0	0	0	116.5
168	F	87.3	Confident	88.2	Confident	195 Å²	195	96.7 Å²	96.7	86%	0.855	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-139.6	12.1	-165.5	-53.8	-61.6	0	0	0	116	A165	A165-F168 PolarHBondContact O-N 2.82Å
169	K	88.4	Confident	88	Confident	119 Å²	119	100.5 Å²	100.5	52%	0.517	49%	0.487	S	S	.	.	S	Bend	trans	-94.8	148	176.6	-51.1	177.1	-169.8	159.4	0	109.3	A165 P171 F174	A165-K169 WeakPolarHBondContact O-CB 3.41Å; A165-K169 PolarHBondContact O-N 3.4Å; K169-P171 WeakPolarHBondContact O-CD 3.44Å; K169-F174 HydrophobicContact CB-CE2 3.76Å; K169-F174 HydrophobicContact CB-CZ 4.36Å; K169-F174 HydrophobicContact CD-CE2 3.86Å; K169-F174 HydrophobicContact CD-CZ 3.67Å; K169-F174 HydrophobicContact CG-CE2 4.49Å
170	D	90.5	Very high	87.7	Confident	81 Å²	81	102.8 Å²	102.8	43%	0.433	50%	0.495	S	S	.	.			trans	-66.8	122	175.2	-170.5	-16.1	0	0	0	109.7	K172 N173	D170-K172 PolarHBondContact O-N 3.03Å; D170-K172 VanDerWaalsContact O-N 3.12Å; D170-K172 WeakPolarHBondContact OD1-CG 3.49Å; D170-K172 PolarHBondContact OD1-N 3.47Å; D170-K172 VanDerWaalsContact OD1-N 3.11Å; D170-N173 WeakPolarHBondContact O-CB 3.39Å; D170-N173 PolarHBondContact O-N 3.32Å; D170-N173 VanDerWaalsContact O-N 3.08Å
171	P	87.9	Confident	87.3	Confident	37 Å²	37	106 Å²	106	24%	0.24	51%	0.511	C	S	.	.	G	3₁₀ helix	trans	-56	-27	178.7	-24.6	33.3	0	0	0	113.6	Y160 Y162 A165 K169 N173 F174	Y160-P171 WeakPolarHBondContact CB-O 3.46Å; Y160-P171 WeakPolarHBondContact CD1-O 3.32Å; Y160-P171 HydrophobicContact CD2-CB 4.26Å; Y160-P171 HydrophobicContact CG-CB 4.05Å; Y162-P171 HydrophobicContact CD1-CB 3.93Å; Y162-P171 HydrophobicContact CD1-CG 3.87Å; Y162-P171 HydrophobicContact CE1-CB 3.81Å; Y162-P171 HydrophobicContact CE1-CG 3.88Å; A165-P171 HydrophobicContact CB-CB 4.14Å; A165-P171 HydrophobicContact CB-CG 4.01Å; K169-P171 WeakPolarHBondContact O-CD 3.44Å; P171-N173 PolarHBondContact O-N 3.27Å; P171-N173 VanDerWaalsContact O-N 3.1Å; P171-F174 CarbonylContact O-C 3.59Å; P171-F174 PolarHBondContact O-N 3.42Å
172	K	87.3	Confident	87	Confident	142 Å²	142	111 Å²	111	62%	0.617	53%	0.533	S	S	*	.	G	3₁₀ helix	trans	-59.4	-23.6	178.2	-67	177.3	-179	176.5	0	113.6	Y160 D170 F174	Y160-K172 HydrophobicContact CE1-CB 4.43Å; Y160-K172 HydrophobicContact CE1-CG 4.34Å; D170-K172 PolarHBondContact O-N 3.03Å; D170-K172 VanDerWaalsContact O-N 3.12Å; D170-K172 WeakPolarHBondContact OD1-CG 3.49Å; D170-K172 PolarHBondContact OD1-N 3.47Å; D170-K172 VanDerWaalsContact OD1-N 3.11Å; K172-F174 PolarHBondContact O-N 2.7Å
173	N	89.4	Confident	86.5	Confident	113 Å²	113	110.9 Å²	110.9	60%	0.604	55%	0.546	S	S	*	.	G	3₁₀ helix	trans	-74.4	-10.7	176.9	-64.3	-29.1	0	0	0	113.2	D170 P171	D170-N173 WeakPolarHBondContact O-CB 3.39Å; D170-N173 PolarHBondContact O-N 3.32Å; D170-N173 VanDerWaalsContact O-N 3.08Å; P171-N173 PolarHBondContact O-N 3.27Å; P171-N173 VanDerWaalsContact O-N 3.1Å
174	F	89.4	Confident	86.1	Confident	51 Å²	51	107.1 Å²	107.1	22%	0.224	55%	0.545	C	S	.	.	S	Bend	trans	-128.6	68.5	-176.2	-50.1	-75.6	0	0	0	110.6	Y160 D161 L164 A165 K169 P171 K172 L176	Y160-F174 CarbonylContact C-O 3.56Å; Y160-F174 WeakPolarHBondContact CA-O 3.28Å; D161-F174 HydrophobicContact CB-CB 3.79Å; D161-F174 PolarHBondContact N-O 3.45Å; L164-F174 HydrophobicContact CB-CG 4.5Å; L164-F174 HydrophobicContact CD2-CB 4.49Å; L164-F174 HydrophobicContact CD2-CD1 3.34Å; L164-F174 HydrophobicContact CD2-CE1 3.68Å; L164-F174 HydrophobicContact CD2-CG 4Å; L164-F174 HydrophobicContact CG-CD1 3.9Å; L164-F174 HydrophobicContact CG-CE1 3.95Å; L164-F174 HydrophobicContact CG-CG 4.29Å; L164-F174 HydrophobicContact CG-CZ 4.41Å; A165-F174 HydrophobicContact CB-CD2 3.96Å; A165-F174 HydrophobicContact CB-CE2 4.3Å; K169-F174 HydrophobicContact CB-CE2 3.76Å; K169-F174 HydrophobicContact CB-CZ 4.36Å; K169-F174 HydrophobicContact CD-CE2 3.86Å; K169-F174 HydrophobicContact CD-CZ 3.67Å; K169-F174 HydrophobicContact CG-CE2 4.49Å; P171-F174 CarbonylContact O-C 3.59Å; P171-F174 PolarHBondContact O-N 3.42Å; K172-F174 PolarHBondContact O-N 2.7Å; F174-L176 PolarHBondContact O-N 2.85Å
175	P	88.7	Confident	85.7	Confident	92 Å²	92	110.2 Å²	110.2	60%	0.597	56%	0.562	S	S	*	*	B	Isolated β-bridge	trans	-66.1	130.1	178.7	27.8	-33.8	0	0	0	111.3
176	L	87.4	Confident	84.8	Confident	73 Å²	73	115.7 Å²	115.7	38%	0.382	60%	0.6	S	S	.	*			trans	-97.8	123.1	169.7	-116.2	84.7	0	0	0	109.4	A159 D161 F174 H178	A159-L176 PolarHBondContact O-N 3.06Å; D161-L176 HydrophobicContact CB-CD1 3.35Å; F174-L176 PolarHBondContact O-N 2.85Å; L176-H178 PolarHBondContact O-N 2.79Å
177	V	84.7	Confident	83.8	Confident	107 Å²	107	117.2 Å²	117.2	65%	0.648	62%	0.623	S	S	*	*			trans	-85	114	176.6	-177.4	0	0	0	0	109.1	Y179	V177-Y179 HydrophobicContact CG1-CE1 4.23Å; V177-Y179 HydrophobicContact CG1-CE2 4.41Å
178	H	85	Confident	83.4	Confident	70 Å²	70	119.7 Å²	119.7	32%	0.324	63%	0.632	S	S	.	*			trans	-105.2	124.6	168.7	-63.2	-73.5	0	0	0	108.9	Q157 Y158 L176	Q157-H178 WeakPolarHBondContact CG-ND1 3.26Å; Q157-H178 PolarHBondContact NE2-ND1 3.34Å; Y158-H178 PolarHBondContact N-NE2 3.5Å; Y158-H178 PolarHBondContact O-CD2 2.85Å; Y158-H178 VanDerWaalsContact O-CD2 3.32Å; Y158-H178 PolarHBondContact O-NE2 2.87Å; L176-H178 PolarHBondContact O-N 2.79Å
179	Y	82.6	Confident	83.2	Confident	191 Å²	191	115.7 Å²	115.7	75%	0.749	62%	0.621	S	S	*	*			trans	-79.1	147	174	-61.3	-78.5	0	0	0	110.6	V177	V177-Y179 HydrophobicContact CG1-CE1 4.23Å; V177-Y179 HydrophobicContact CG1-CE2 4.41Å
180	T	81.1	Confident	82.9	Confident	109 Å²	109	115.6 Å²	115.6	67%	0.669	63%	0.626	S	S	*	*			trans	-70.4	150.6	172.7	53.7	0	0	0	0	110
181	F	81.1	Confident	82.5	Confident	145 Å²	145	117.6 Å²	117.6	64%	0.636	64%	0.638	S	S	*	*	S	Bend	trans	-86.1	4.6	175.8	-59.7	-70.4	0	0	0	112.7	K154	K154-F181 HydrophobicContact CD-CE1 4.48Å; K154-F181 HydrophobicContact CD-CZ 4.01Å
182	E	83.2	Confident	82.2	Confident	155 Å²	155	122.6 Å²	122.6	72%	0.724	66%	0.662	S	S	*	*	S	Bend	trans	-75.8	134.7	179.3	-64.9	-180	171.9	0	0	109
183	P	80.1	Confident	81.8	Confident	115 Å²	115	121.3 Å²	121.3	75%	0.747	67%	0.665	S	S	*	*	P	Polyproline II helix	trans	-60	142.1	174.4	26.4	-31.8	0	0	0	109	D185	P183-D185 PolarHBondContact O-N 3.28Å
184	A	78.6	Confident	81.3	Confident	96 Å²	96	121.9 Å²	121.9	79%	0.793	67%	0.67	S	S	*	*	P	Polyproline II helix	trans	-58.1	129.3	170.5	0	0	0	0	0	108.3	S186	A184-S186 PolarHBondContact O-N 3.14Å; A184-S186 VanDerWaalsContact O-N 3.09Å
185	D	79.5	Confident	80.6	Confident	152 Å²	152	127.4 Å²	127.4	81%	0.813	70%	0.704	S	S	*	*	P	Polyproline II helix	trans	-53.2	119.9	171.1	-68.3	-38.6	0	0	0	107.4	P183 D187	P183-D185 PolarHBondContact O-N 3.28Å; D185-D187 PolarHBondContact O-N 3.09Å; D185-D187 VanDerWaalsContact O-N 3.14Å
186	S	69.5	Low	80	Confident	118 Å²	118	130.3 Å²	130.3	83%	0.825	71%	0.713	S	S	*	*			trans	-72.5	107.2	175.4	57	0	0	0	0	107.7	A184	A184-S186 PolarHBondContact O-N 3.14Å; A184-S186 VanDerWaalsContact O-N 3.09Å
187	D	66.8	Low	79.3	Confident	233 Å²	233	135.5 Å²	135.5	100%	1.246	74%	0.743	S	S	*	*			trans	-57	0	167.4	-70.5	-33.9	0	0	0	112.5	D185	D185-D187 PolarHBondContact O-N 3.09Å; D185-D187 VanDerWaalsContact O-N 3.14Å

Retrieved 187 of 187 residues in 149.9 ms (Link to these results)

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