A0A077ZPP8_TRITR Loading...

Mediator of RNA polymerase II transcription subun it 22

AlphaFold DB , UniProt , Accession A0A077ZPP8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 152 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	43	Very low	52.1	Low	240 Å²	240	145.2 Å²	145.2	100%	1.182	82%	0.819	S	S	*	*				0	121.1	0	-69.1	145.9	73.1	0	0	105.5
2	C	43.3	Very low	53.6	Low	114 Å²	114	148 Å²	148	77%	0.77	83%	0.825	S	S	*	*			cis	-133.4	145.3	36.7	-66.6	0	0	0	0	111.8
3	A	45.9	Very low	54.9	Low	97 Å²	97	152.3 Å²	152.3	80%	0.802	83%	0.829	S	S	*	*			trans	-72.7	127.4	166.1	0	0	0	0	0	108.4	E5	A3-E5 PolarHBondContact O-N 2.96Å
4	H	48.6	Very low	55.9	Low	173 Å²	173	147.4 Å²	147.4	80%	0.801	81%	0.806	S	S	*	*			trans	-80.8	107	168.8	-77.9	-101	0	0	0	108	T6	H4-T6 VanDerWaalsContact C-N 3.32Å; H4-T6 PolarHBondContact O-N 3.38Å
5	E	52.4	Low	57.2	Low	192 Å²	192	142.2 Å²	142.2	90%	0.897	78%	0.783	S	S	*	*			trans	-72.5	91.1	162.5	-93	158.7	144.1	0	0	108.3	A3 S7	A3-E5 PolarHBondContact O-N 2.96Å; E5-S7 PolarHBondContact O-N 3.41Å
6	T	55	Low	58.4	Low	117 Å²	117	142.8 Å²	142.8	72%	0.718	78%	0.777	S	S	*	*			trans	-73.7	104.9	164.3	51.6	0	0	0	0	107.4	H4 N8	H4-T6 VanDerWaalsContact C-N 3.32Å; H4-T6 PolarHBondContact O-N 3.38Å; T6-N8 PolarHBondContact O-N 2.96Å; T6-N8 VanDerWaalsContact O-N 3.14Å
7	S	51.7	Low	59.4	Low	100 Å²	100	138.1 Å²	138.1	70%	0.699	76%	0.758	S	S	*	*			trans	-56.1	116.5	168.4	43.5	0	0	0	0	109	E5 L9	E5-S7 PolarHBondContact O-N 3.41Å; S7-L9 PolarHBondContact O-N 3.12Å
8	N	55.2	Low	60.2	Low	147 Å²	147	134.9 Å²	134.9	79%	0.786	74%	0.739	S	S	*	*			trans	-63	96.4	173.6	-90.2	-49.4	0	0	0	108.9	T6 Q10	T6-N8 PolarHBondContact O-N 2.96Å; T6-N8 VanDerWaalsContact O-N 3.14Å; N8-Q10 HydrophobicContact CB-CG 4.36Å; N8-Q10 PolarHBondContact O-N 3.17Å
9	L	57.4	Low	60.9	Low	159 Å²	159	132.5 Å²	132.5	83%	0.832	73%	0.725	S	S	*	*			trans	-69.7	82.2	156.1	-84	87.3	0	0	0	107.1	S7 A11	S7-L9 PolarHBondContact O-N 3.12Å; L9-A11 PolarHBondContact O-N 3.09Å
10	Q	56.7	Low	61.7	Low	169 Å²	169	136.2 Å²	136.2	79%	0.79	73%	0.728	S	S	*	*			trans	-65.8	104.3	163	-68.2	-170.2	-71.1	0	0	106.6	N8 M12	N8-Q10 HydrophobicContact CB-CG 4.36Å; N8-Q10 PolarHBondContact O-N 3.17Å; Q10-M12 PolarHBondContact O-N 3Å
11	A	64	Low	62.4	Low	89 Å²	89	137.5 Å²	137.5	74%	0.736	72%	0.724	S	S	*	*			trans	-50.7	108.6	171.9	0	0	0	0	0	108.4	L9 K13	L9-A11 PolarHBondContact O-N 3.09Å; A11-K13 PolarHBondContact O-N 3.21Å
12	M	69.5	Low	64.1	Low	179 Å²	179	130.2 Å²	130.2	88%	0.882	69%	0.688	S	S	*	*			trans	-58.2	105.5	176.7	-76	168.7	62.2	0	0	108.1	Q10 V14	Q10-M12 PolarHBondContact O-N 3Å; M12-V14 PolarHBondContact O-N 2.04Å
13	K	71	Confident	65.5	Low	204 Å²	204	127.2 Å²	127.2	89%	0.887	67%	0.672	S	S	*	*			trans	-67.5	103.5	172.4	-77.4	179.1	178	179.8	0	107.8	A11 P15	A11-K13 PolarHBondContact O-N 3.21Å; K13-P15 WeakPolarHBondContact O-CD 3.34Å
14	V	68.3	Low	66.7	Low	83 Å²	83	126 Å²	126	50%	0.503	66%	0.657	S	S	.	*			trans	-62.8	121.1	173.3	176.3	0	0	0	0	108.2	M12 L18 L19	M12-V14 PolarHBondContact O-N 2.04Å; V14-L18 HydrophobicContact CG1-CB 4.28Å; V14-L18 HydrophobicContact CG1-CD2 4.09Å; V14-L18 HydrophobicContact CG1-CG 4.49Å; V14-L19 HydrophobicContact CG1-CD2 4.34Å; V14-L19 HydrophobicContact CG1-CG 4.13Å
15	P	76.6	Confident	67.6	Low	70 Å²	70	122 Å²	122	46%	0.455	65%	0.645	S	S	.	*			trans	-70.6	141.1	-177.1	27.3	-31.9	0	0	0	110.4	K13 S17 L18 L19	K13-P15 WeakPolarHBondContact O-CD 3.34Å; P15-S17 PolarHBondContact O-N 2.84Å; P15-S17 VanDerWaalsContact O-N 3.1Å; P15-L18 HydrophobicContact CG-CB 3.94Å; P15-L18 WeakPolarHBondContact O-CB 3.45Å; P15-L18 PolarHBondContact O-N 3.35Å; P15-L19 PolarHBondContact O-N 2.81Å
16	H	76	Confident	68.3	Low	151 Å²	151	116.8 Å²	116.8	70%	0.699	63%	0.626	S	S	*	*	H	α-helix	trans	-55.3	-29	178.3	-74.2	-72	0	0	0	113.4	L18 L19 W20	H16-L18 VanDerWaalsContact C-N 3.34Å; H16-L18 PolarHBondContact O-N 3.31Å; H16-L19 PolarHBondContact O-N 3.1Å; H16-W20 PolarHBondContact O-N 3.25Å
17	S	76.1	Confident	68.6	Low	63 Å²	63	118.6 Å²	118.6	44%	0.441	62%	0.624	S	S	.	*	H	α-helix	trans	-59	-43.6	171.7	51.7	0	0	0	0	111.9	P15 L19 W20 Y21	P15-S17 PolarHBondContact O-N 2.84Å; P15-S17 VanDerWaalsContact O-N 3.1Å; S17-L19 VanDerWaalsContact C-N 3.33Å; S17-L19 PolarHBondContact O-N 3.31Å; S17-W20 PolarHBondContact O-N 2.76Å; S17-Y21 WeakPolarHBondContact O-CD2 3.26Å; S17-Y21 PolarHBondContact O-N 2.94Å
18	L	72.2	Confident	69.2	Low	82 Å²	82	119.2 Å²	119.2	43%	0.429	62%	0.619	S	S	.	*	H	α-helix	trans	-65.6	-36.4	177.7	-171.4	61.1	0	0	0	111.8	V14 P15 H16 Y21 I22	V14-L18 HydrophobicContact CG1-CB 4.28Å; V14-L18 HydrophobicContact CG1-CD2 4.09Å; V14-L18 HydrophobicContact CG1-CG 4.49Å; P15-L18 HydrophobicContact CG-CB 3.94Å; P15-L18 WeakPolarHBondContact O-CB 3.45Å; P15-L18 PolarHBondContact O-N 3.35Å; H16-L18 VanDerWaalsContact C-N 3.34Å; H16-L18 PolarHBondContact O-N 3.31Å; L18-Y21 PolarHBondContact O-N 3.39Å; L18-I22 HydrophobicContact CD1-CD1 4.41Å; L18-I22 HydrophobicContact CG-CD1 4Å; L18-I22 WeakPolarHBondContact O-CB 3.45Å; L18-I22 WeakPolarHBondContact O-CD1 3.41Å; L18-I22 WeakPolarHBondContact O-CG1 3.25Å; L18-I22 PolarHBondContact O-N 3.36Å
19	L	74	Confident	69.5	Low	89 Å²	89	118 Å²	118	47%	0.466	61%	0.612	S	S	.	*	H	α-helix	trans	-65.3	-40.3	174.2	-68.8	169.1	0	0	0	112	V14 P15 H16 S17 A23	V14-L19 HydrophobicContact CG1-CD2 4.34Å; V14-L19 HydrophobicContact CG1-CG 4.13Å; P15-L19 PolarHBondContact O-N 2.81Å; H16-L19 PolarHBondContact O-N 3.1Å; S17-L19 VanDerWaalsContact C-N 3.33Å; S17-L19 PolarHBondContact O-N 3.31Å; L19-A23 VanDerWaalsContact O-CB 3.27Å; L19-A23 WeakPolarHBondContact O-CB 3.03Å; L19-A23 PolarHBondContact O-N 3.02Å
20	W	76.6	Confident	69.6	Low	205 Å²	205	113.4 Å²	113.4	78%	0.777	59%	0.593	S	S	*	*	H	α-helix	trans	-68.9	-37.7	173.7	-76.8	-5.2	0	0	0	113	H16 S17 A23 C24	H16-W20 PolarHBondContact O-N 3.25Å; S17-W20 PolarHBondContact O-N 2.76Å; W20-A23 PolarHBondContact O-N 2.77Å; W20-C24 WeakPolarHBondContact O-CB 3.42Å; W20-C24 PolarHBondContact O-N 3.2Å
21	Y	77.8	Confident	69.8	Low	164 Å²	164	110.7 Å²	110.7	64%	0.643	59%	0.589	S	S	*	*	H	α-helix	trans	-63.7	-44.3	173.6	-78.4	-66.6	0	0	0	111.7	S17 L18 C24 T25	S17-Y21 WeakPolarHBondContact O-CD2 3.26Å; S17-Y21 PolarHBondContact O-N 2.94Å; L18-Y21 PolarHBondContact O-N 3.39Å; Y21-C24 PolarHBondContact O-N 3.15Å; Y21-T25 WeakPolarHBondContact O-CG2 3.42Å; Y21-T25 PolarHBondContact O-N 3.37Å; Y21-T25 PolarHBondContact O-OG1 2.62Å
22	I	77.1	Confident	69.9	Low	87 Å²	87	110 Å²	110	45%	0.446	58%	0.575	S	S	.	*	H	α-helix	trans	-65.9	-42	176.7	-66.1	164.5	0	0	0	111.1	L18 C24 T25 T26	L18-I22 HydrophobicContact CD1-CD1 4.41Å; L18-I22 HydrophobicContact CG-CD1 4Å; L18-I22 WeakPolarHBondContact O-CB 3.45Å; L18-I22 WeakPolarHBondContact O-CD1 3.41Å; L18-I22 WeakPolarHBondContact O-CG1 3.25Å; L18-I22 PolarHBondContact O-N 3.36Å; I22-C24 VanDerWaalsContact C-N 3.3Å; I22-C24 PolarHBondContact O-N 3.36Å; I22-T25 WeakPolarHBondContact CA-OG1 3.02Å; I22-T25 PolarHBondContact O-N 2.9Å; I22-T25 PolarHBondContact O-OG1 2.84Å; I22-T26 HydrophobicContact CG2-CG2 4.43Å; I22-T26 WeakPolarHBondContact O-CB 3.31Å; I22-T26 VanDerWaalsContact O-CG2 3.29Å; I22-T26 WeakPolarHBondContact O-CG2 3.42Å; I22-T26 PolarHBondContact O-N 3.22Å; I22-T26 PolarHBondContact O-OG1 3.47Å
23	A	72.9	Confident	70.4	Confident	52 Å²	52	109.2 Å²	109.2	43%	0.43	57%	0.567	S	S	.	*	H	α-helix	trans	-62.8	-37.8	174.5	0	0	0	0	0	111.8	L19 W20 T26 F27	L19-A23 VanDerWaalsContact O-CB 3.27Å; L19-A23 WeakPolarHBondContact O-CB 3.03Å; L19-A23 PolarHBondContact O-N 3.02Å; W20-A23 PolarHBondContact O-N 2.77Å; A23-T26 WeakPolarHBondContact CA-OG1 3.36Å; A23-T26 PolarHBondContact O-OG1 2.9Å; A23-F27 WeakPolarHBondContact O-CB 3.49Å; A23-F27 PolarHBondContact O-N 3.39Å
24	C	71.3	Confident	71.2	Confident	72 Å²	72	100.8 Å²	100.8	49%	0.486	54%	0.538	S	S	.	.	H	α-helix	trans	-68.9	-43.6	177.3	-170.4	0	0	0	0	112	W20 Y21 I22 F27 L28	W20-C24 WeakPolarHBondContact O-CB 3.42Å; W20-C24 PolarHBondContact O-N 3.2Å; Y21-C24 PolarHBondContact O-N 3.15Å; I22-C24 VanDerWaalsContact C-N 3.3Å; I22-C24 PolarHBondContact O-N 3.36Å; C24-F27 PolarHBondContact O-N 2.94Å; C24-L28 WeakPolarHBondContact O-CG 3.2Å; C24-L28 PolarHBondContact O-N 2.78Å
25	T	68.3	Low	72.3	Confident	87 Å²	87	103.7 Å²	103.7	53%	0.534	54%	0.544	S	S	.	.	H	α-helix	trans	-67.8	-37.4	177.6	55.5	0	0	0	0	112.4	Y21 I22 L29	Y21-T25 WeakPolarHBondContact O-CG2 3.42Å; Y21-T25 PolarHBondContact O-N 3.37Å; Y21-T25 PolarHBondContact O-OG1 2.62Å; I22-T25 WeakPolarHBondContact CA-OG1 3.02Å; I22-T25 PolarHBondContact O-N 2.9Å; I22-T25 PolarHBondContact O-OG1 2.84Å; T25-L29 PolarHBondContact O-N 2.89Å
26	T	66.5	Low	73.2	Confident	83 Å²	83	105.8 Å²	105.8	51%	0.509	55%	0.546	S	S	.	.	H	α-helix	trans	-69	-37	176.3	49.8	0	0	0	0	112.8	I22 A23 L29 S30	I22-T26 HydrophobicContact CG2-CG2 4.43Å; I22-T26 WeakPolarHBondContact O-CB 3.31Å; I22-T26 VanDerWaalsContact O-CG2 3.29Å; I22-T26 WeakPolarHBondContact O-CG2 3.42Å; I22-T26 PolarHBondContact O-N 3.22Å; I22-T26 PolarHBondContact O-OG1 3.47Å; A23-T26 WeakPolarHBondContact CA-OG1 3.36Å; A23-T26 PolarHBondContact O-OG1 2.9Å; T26-L29 PolarHBondContact O-N 2.87Å; T26-S30 PolarHBondContact O-N 2.83Å
27	F	62.4	Low	74.3	Confident	155 Å²	155	99.3 Å²	99.3	68%	0.68	52%	0.516	S	S	*	.	H	α-helix	trans	-64.1	-43.9	175.6	-167.8	-102.1	0	0	0	111.8	A23 C24 L29 S30	A23-F27 WeakPolarHBondContact O-CB 3.49Å; A23-F27 PolarHBondContact O-N 3.39Å; C24-F27 PolarHBondContact O-N 2.94Å; F27-L29 VanDerWaalsContact C-N 3.27Å; F27-L29 PolarHBondContact O-N 2.95Å; F27-S30 PolarHBondContact O-N 2.87Å; F27-S30 PolarHBondContact O-OG 2.95Å
28	L	62.5	Low	75.3	Confident	114 Å²	114	98.3 Å²	98.3	60%	0.597	50%	0.502	S	S	*	.	H	α-helix	trans	-64.5	-28.3	176.5	-69.4	172.7	0	0	0	113.4	C24 T31	C24-L28 WeakPolarHBondContact O-CG 3.2Å; C24-L28 PolarHBondContact O-N 2.78Å; L28-T31 PolarHBondContact O-OG1 3.4Å
29	L	61.9	Low	76.6	Confident	121 Å²	121	94.5 Å²	94.5	63%	0.634	48%	0.482	S	S	*	.	H	α-helix	trans	-74.6	-26.6	-179.6	-160	68	0	0	0	112.8	T25 T26 F27 T31 V32	T25-L29 PolarHBondContact O-N 2.89Å; T26-L29 PolarHBondContact O-N 2.87Å; F27-L29 VanDerWaalsContact C-N 3.27Å; F27-L29 PolarHBondContact O-N 2.95Å; L29-T31 VanDerWaalsContact C-N 3.29Å; L29-T31 PolarHBondContact O-N 2.71Å; L29-V32 PolarHBondContact O-N 2.59Å
30	S	60.1	Low	77.7	Confident	63 Å²	63	90.4 Å²	90.4	44%	0.441	46%	0.461	S	S	.	.	G	3₁₀ helix	trans	-71.1	-18.8	-174.7	67.8	0	0	0	0	114.7	T26 F27 V32 F33	T26-S30 PolarHBondContact O-N 2.83Å; F27-S30 PolarHBondContact O-N 2.87Å; F27-S30 PolarHBondContact O-OG 2.95Å; S30-V32 VanDerWaalsContact C-N 3.28Å; S30-V32 PolarHBondContact O-N 3.3Å; S30-F33 VanDerWaalsContact O-CD2 3.29Å; S30-F33 WeakPolarHBondContact O-CD2 3.48Å
31	T	60.3	Low	78.8	Confident	112 Å²	112	80.7 Å²	80.7	69%	0.687	42%	0.424	S	S	*	.	G	3₁₀ helix	trans	-83.5	-0.7	178.6	52	0	0	0	0	113.8	L28 L29	L28-T31 PolarHBondContact O-OG1 3.4Å; L29-T31 VanDerWaalsContact C-N 3.29Å; L29-T31 PolarHBondContact O-N 2.71Å
32	V	66.9	Low	79.8	Confident	75 Å²	75	76.7 Å²	76.7	46%	0.455	41%	0.41	S	S	.	.	G	3₁₀ helix	trans	-97.5	1.8	-173.8	-160.7	0	0	0	0	112.4	L29 S30 G34 I90	L29-V32 PolarHBondContact O-N 2.59Å; S30-V32 VanDerWaalsContact C-N 3.28Å; S30-V32 PolarHBondContact O-N 3.3Å; V32-G34 PolarHBondContact O-N 3.03Å; V32-I90 HydrophobicContact CG1-CD1 3.79Å; V32-I90 WeakPolarHBondContact O-CD1 3.27Å
33	F	78.8	Confident	80.8	Confident	161 Å²	161	73 Å²	73	71%	0.706	39%	0.393	S	S	*	.			trans	-72.8	116.8	174.9	-63.9	-67.4	0	0	0	109.8	S30	S30-F33 VanDerWaalsContact O-CD2 3.29Å; S30-F33 WeakPolarHBondContact O-CD2 3.48Å
34	G	87.7	Confident	82.1	Confident	27 Å²	27	74.7 Å²	74.7	28%	0.278	39%	0.389	S	S	.	.			trans	-53.1	155.2	169.4	0	0	0	0	0	111.6	V32 D88 E89	V32-G34 PolarHBondContact O-N 3.03Å; G34-D88 WeakPolarHBondContact CA-OD1 3.48Å; G34-E89 WeakPolarHBondContact CA-O 3.18Å
35	K	92.3	Very high	83.4	Confident	145 Å²	145	71.3 Å²	71.3	63%	0.63	37%	0.366	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.1	128.9	175.5	-67.7	179.1	-174.8	173.8	0	108.8	Q37 D88 E89	K35-Q37 PolarHBondContact O-N 2.82Å; K35-Q37 PolarHBondContact O-NE2 3.15Å; K35-D88 PolarHBondContact N-OD1 2.99Å; K35-E89 PolarHBondContact N-O 3.08Å; K35-E89 PolarHBondContact O-N 2.94Å
36	K	96.4	Very high	84.8	Confident	113 Å²	113	69.5 Å²	69.5	49%	0.491	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	120.9	169	-164.7	171.4	-177.2	167.3	0	110.8	T86 D87 P125	K36-T86 WeakPolarHBondContact CE-OG1 3.44Å; K36-D87 CarbonylContact C-O 3.6Å; K36-D87 VanDerWaalsContact CA-O 3.24Å; K36-D87 WeakPolarHBondContact CA-O 3.32Å; K36-P125 HydrophobicContact CB-CG 4.23Å; K36-P125 HydrophobicContact CD-CG 3.98Å; K36-P125 HydrophobicContact CG-CG 3.72Å; K36-P125 WeakPolarHBondContact O-CD 3.25Å
37	Q	97.6	Very high	86.3	Confident	15 Å²	15	67.6 Å²	67.6	7%	0.07	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	154.2	179.3	-70.9	169.2	84.5	0	0	109.6	K35 T86 D87 G91 I93 I122 Q123	K35-Q37 PolarHBondContact O-N 2.82Å; K35-Q37 PolarHBondContact O-NE2 3.15Å; Q37-T86 CarbonylContact O-C 3.53Å; Q37-T86 WeakPolarHBondContact O-CA 3.22Å; Q37-T86 VanDerWaalsContact O-CB 3.26Å; Q37-T86 WeakPolarHBondContact O-CB 3.45Å; Q37-D87 PolarHBondContact N-O 2.89Å; Q37-D87 PolarHBondContact O-N 2.92Å; Q37-G91 PolarHBondContact NE2-O 2.8Å; Q37-I93 HydrophobicContact CB-CD1 3.9Å; Q37-I93 HydrophobicContact CB-CG1 4.03Å; Q37-I93 HydrophobicContact CB-CG2 4.29Å; Q37-I122 HydrophobicContact CB-CG2 4.08Å; Q37-I122 HydrophobicContact CG-CG2 4.26Å; Q37-Q123 CarbonylContact C-O 3.57Å; Q37-Q123 WeakPolarHBondContact CA-O 3.26Å
38	R	98.1	Very high	88	Confident	43 Å²	43	61 Å²	61	16%	0.162	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	142.7	-179.4	-176.5	175.6	177.8	-135.1	5.8	109.5	Q40 D84 G85 T86 Q123 P125	R38-Q40 VanDerWaalsContact CZ-NE2 3.25Å; R38-D84 IonicContact CZ-OD1 3.56Å; R38-D84 IonicContact CZ-OD2 3.41Å; R38-D84 IonicContact NE-OD1 2.81Å; R38-D84 PolarHBondContact NE-OD1 2.83Å; R38-D84 IonicContact NE-OD2 3.33Å; R38-D84 PolarHBondContact NE-OD2 3.22Å; R38-D84 IonicContact NH2-OD1 3.52Å; R38-D84 IonicContact NH2-OD2 2.68Å; R38-D84 PolarHBondContact NH2-OD2 2.92Å; R38-G85 WeakPolarHBondContact CA-O 3.47Å; R38-T86 HydrophobicContact CB-CG2 3.88Å; R38-T86 HydrophobicContact CG-CG2 3.86Å; R38-Q123 PolarHBondContact N-O 3.45Å; R38-Q123 PolarHBondContact O-N 2.85Å; R38-P125 HydrophobicContact CB-CG 4.41Å
39	V	98.5	Very high	89.7	Confident	1 Å²	1	63.6 Å²	63.6	1%	0.006	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	140	172.6	64.1	0	0	0	0	110.1	L59 L70 G85 I93 P95 V117	V39-L59 HydrophobicContact CG1-CD1 4.16Å; V39-L59 HydrophobicContact CG1-CD2 3.75Å; V39-L59 HydrophobicContact CG1-CG 4.21Å; V39-L59 WeakPolarHBondContact O-CD2 3.4Å; V39-L70 HydrophobicContact CG1-CD1 3.94Å; V39-G85 PolarHBondContact N-O 3.34Å; V39-G85 PolarHBondContact O-N 2.88Å; V39-G85 VanDerWaalsContact O-N 3.08Å; V39-I93 HydrophobicContact CB-CD1 4.28Å; V39-I93 HydrophobicContact CG1-CD1 4.02Å; V39-P95 HydrophobicContact CB-CB 4.49Å; V39-P95 HydrophobicContact CB-CG 4.44Å; V39-P95 HydrophobicContact CG1-CB 3.81Å; V39-P95 HydrophobicContact CG1-CG 4.24Å; V39-P95 HydrophobicContact CG2-CB 4.25Å; V39-P95 HydrophobicContact CG2-CG 4.08Å; V39-V117 HydrophobicContact CG2-CG1 3.72Å
40	Q	98.7	Very high	91.4	Very high	4 Å²	4	65.5 Å²	65.5	2%	0.019	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	138.9	-179.9	-63	-165.4	81.1	0	0	111.2	R38 H82 L83 D84 E129 V131 F132	R38-Q40 VanDerWaalsContact CZ-NE2 3.25Å; Q40-H82 PolarHBondContact OE1-NE2 2.97Å; Q40-L83 CarbonylContact C-O 3.59Å; Q40-L83 VanDerWaalsContact CA-O 3.27Å; Q40-L83 WeakPolarHBondContact CA-O 3.39Å; Q40-D84 HydrophobicContact CG-CB 3.97Å; Q40-D84 WeakPolarHBondContact CG-OD1 3.49Å; Q40-E129 PolarHBondContact NE2-OE1 2.92Å; Q40-E129 PolarHBondContact OE1-OE1 3.13Å; Q40-V131 HydrophobicContact CB-CB 4.29Å; Q40-V131 HydrophobicContact CB-CG1 4.03Å; Q40-V131 HydrophobicContact CB-CG2 3.97Å; Q40-F132 PolarHBondContact O-N 2.99Å
41	V	98.8	Very high	93.3	Very high	0 Å²	0	65.1 Å²	65.1	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	132.5	179.7	-170.6	0	0	0	0	109.6	L59 F81 H82 L83 L97 V117 F132 I134	V41-L59 HydrophobicContact CG2-CD1 3.86Å; V41-F81 HydrophobicContact CG1-CE2 4.24Å; V41-H82 CarbonylContact O-C 3.57Å; V41-H82 WeakPolarHBondContact O-CA 3.42Å; V41-L83 PolarHBondContact N-O 2.93Å; V41-L83 PolarHBondContact O-N 2.98Å; V41-L97 HydrophobicContact CG1-CD2 4.01Å; V41-V117 HydrophobicContact CG2-CG1 4.25Å; V41-V117 HydrophobicContact CG2-CG2 3.58Å; V41-F132 CarbonylContact C-O 3.54Å; V41-F132 VanDerWaalsContact CA-O 3.3Å; V41-F132 WeakPolarHBondContact CA-O 3.49Å; V41-F132 HydrophobicContact CG1-CD1 4Å; V41-F132 WeakPolarHBondContact CG1-O 3.32Å; V41-F132 HydrophobicContact CG2-CB 4.4Å; V41-F132 HydrophobicContact CG2-CD1 4.37Å; V41-I134 HydrophobicContact CG1-CG2 4.17Å
42	K	98.8	Very high	95.1	Very high	81 Å²	81	60.2 Å²	60.2	35%	0.352	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	164.2	174.3	76.2	-179.4	-174.8	-178.7	0	111.6	F81 H82 V131 F132 D133 I134	K42-F81 VanDerWaalsContact CA-O 3.26Å; K42-F81 WeakPolarHBondContact CA-O 3.4Å; K42-F81 WeakPolarHBondContact CB-O 3.44Å; K42-H82 HydrophobicContact CB-CB 4.11Å; K42-V131 HydrophobicContact CB-CG1 4.03Å; K42-V131 HydrophobicContact CD-CG1 3.89Å; K42-V131 HydrophobicContact CG-CG1 3.71Å; K42-F132 PolarHBondContact N-O 2.79Å; K42-D133 VanDerWaalsContact CE-CG 3.44Å; K42-D133 WeakPolarHBondContact CE-OD2 3.24Å; K42-D133 HydrophobicContact CG-CB 4.05Å; K42-D133 IonicContact NZ-OD2 3.57Å; K42-D133 WeakPolarHBondContact O-CA 3.21Å; K42-I134 PolarHBondContact O-N 2.92Å
43	G	98.8	Very high	96.6	Very high	9 Å²	9	59.4 Å²	59.4	9%	0.093	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	172.3	-172.3	173.9	0	0	0	0	0	112.5	S80 F81 G135	G43-S80 CarbonylContact O-C 3.55Å; G43-S80 WeakPolarHBondContact O-CA 3.39Å; G43-F81 PolarHBondContact N-O 3.43Å; G43-F81 VanDerWaalsContact N-O 3.09Å; G43-F81 WeakPolarHBondContact O-CD1 3.3Å; G43-F81 PolarHBondContact O-N 3.41Å; G43-G135 CarbonylContact C-O 3.53Å; G43-G135 WeakPolarHBondContact CA-O 3.41Å
44	R	98.9	Very high	97.5	Very high	88 Å²	88	59.3 Å²	59.3	33%	0.332	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	127.2	177.6	-168.8	178.3	-176.7	120.1	2.3	110.3	F46 D78 G79 G135 A136 V137	R44-F46 HydrophobicContact CB-CE2 4.2Å; R44-F46 HydrophobicContact CG-CD2 4.43Å; R44-F46 HydrophobicContact CG-CE2 3.64Å; R44-F46 HydrophobicContact CG-CZ 4.01Å; R44-D78 WeakPolarHBondContact CG-O 3.45Å; R44-D78 IonicContact CZ-OD2 3.36Å; R44-D78 PolarHBondContact NE-O 3.16Å; R44-D78 IonicContact NH1-OD2 3.7Å; R44-D78 PolarHBondContact NH1-OD2 2.84Å; R44-D78 VanDerWaalsContact NH2-CB 3.32Å; R44-D78 PolarHBondContact NH2-O 2.93Å; R44-D78 IonicContact NH2-OD2 3.66Å; R44-G79 WeakPolarHBondContact CA-O 3.41Å; R44-G135 PolarHBondContact N-O 3.24Å; R44-A136 CarbonylContact O-C 3.59Å; R44-A136 WeakPolarHBondContact O-CA 3.44Å; R44-V137 PolarHBondContact O-N 2.99Å
45	L	98.7	Very high	97.9	Very high	1 Å²	1	58.7 Å²	58.7	1%	0.005	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	141.6	-178.8	-58.8	-178.6	0	0	0	111.3	A52 V55 V57 T75 G79 F81 V99 I134 V137 L139	L45-A52 HydrophobicContact CB-CB 4.06Å; L45-A52 PolarHBondContact O-N 3.17Å; L45-V55 HydrophobicContact CD1-CB 4.34Å; L45-V55 HydrophobicContact CD1-CG1 3.84Å; L45-V57 HydrophobicContact CD1-CG1 3.97Å; L45-T75 HydrophobicContact CB-CG2 4.45Å; L45-T75 HydrophobicContact CD1-CG2 3.88Å; L45-T75 HydrophobicContact CG-CG2 4.27Å; L45-G79 PolarHBondContact N-O 2.94Å; L45-F81 HydrophobicContact CD1-CE1 4.35Å; L45-F81 HydrophobicContact CD2-CE1 4.16Å; L45-F81 HydrophobicContact CG-CD1 4.22Å; L45-F81 HydrophobicContact CG-CE1 3.95Å; L45-V99 HydrophobicContact CD1-CG1 3.56Å; L45-V99 HydrophobicContact CD1-CG2 4.49Å; L45-I134 HydrophobicContact CD2-CD1 4.33Å; L45-V137 WeakPolarHBondContact CA-O 3.29Å; L45-V137 HydrophobicContact CD2-CB 4.23Å; L45-L139 HydrophobicContact CB-CD1 4.17Å; L45-L139 HydrophobicContact CB-CG 4.32Å; L45-L139 HydrophobicContact CD1-CD1 4.45Å; L45-L139 HydrophobicContact CD1-CD2 4.26Å; L45-L139 HydrophobicContact CD2-CD2 4.23Å
46	F	98.8	Very high	98.2	Very high	49 Å²	49	52.4 Å²	52.4	22%	0.215	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	157	175.8	-67.1	-97.1	0	0	0	110.6	R44 K50 P51 A136 V137 N138 L139	R44-F46 HydrophobicContact CB-CE2 4.2Å; R44-F46 HydrophobicContact CG-CD2 4.43Å; R44-F46 HydrophobicContact CG-CE2 3.64Å; R44-F46 HydrophobicContact CG-CZ 4.01Å; F46-K50 CarbonylContact C-O 3.59Å; F46-K50 VanDerWaalsContact CA-O 3.31Å; F46-K50 WeakPolarHBondContact CA-O 3.46Å; F46-P51 HydrophobicContact CE1-CG 4.34Å; F46-A136 HydrophobicContact CD2-CB 4.37Å; F46-A136 HydrophobicContact CE2-CB 3.81Å; F46-V137 PolarHBondContact N-O 3.46Å; F46-N138 HydrophobicContact CB-CB 4.44Å; F46-L139 WeakPolarHBondContact O-CB 3.17Å; F46-L139 VanDerWaalsContact O-CG 3.25Å; F46-L139 WeakPolarHBondContact O-CG 3.46Å; F46-L139 PolarHBondContact O-N 2.93Å
47	C	98.2	Very high	98.3	Very high	42 Å²	42	47 Å²	47	28%	0.284	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	102.1	166	-178	0	0	0	0	107.7	K50 A52 C103	C47-K50 PolarHBondContact N-O 2.92Å; C47-K50 PolarHBondContact O-N 3.09Å; C47-A52 HydrophobicContact CB-CB 4.34Å; C47-C103 WeakPolarHBondContact CA-SG 2.85Å; C47-C103 HydrophobicContact CB-CB 3.83Å; C47-C103 WeakPolarHBondContact CB-SG 3.12Å; C47-C103 WeakPolarHBondContact SG-CA 3.41Å; C47-C103 WeakPolarHBondContact SG-CB 3.47Å; C47-C103 CovalentContact SG-SG 2.04Å; C47-C103 PolarHBondContact SG-SG 3.03Å
48	G	97.7	Very high	98.3	Very high	16 Å²	16	48.6 Å²	48.6	17%	0.165	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.3	-135.3	-161.8	0	0	0	0	0	110.3	K50 N138 E140	G48-K50 PolarHBondContact O-N 2.93Å; G48-N138 PolarHBondContact N-OD1 3.36Å; G48-E140 WeakPolarHBondContact CA-OE2 3.36Å
49	D	97.8	Very high	98.3	Very high	170 Å²	170	46.5 Å²	46.5	91%	0.909	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.5	2.2	-177.9	-54.7	-47.4	0	0	0	114.2
50	K	98.4	Very high	98.3	Very high	161 Å²	161	46.5 Å²	46.5	70%	0.7	24%	0.237	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-105.9	138.3	-176	-65.5	-177.1	-178.3	179.3	0	111.6	F46 C47 G48 A52	F46-K50 CarbonylContact C-O 3.59Å; F46-K50 VanDerWaalsContact CA-O 3.31Å; F46-K50 WeakPolarHBondContact CA-O 3.46Å; C47-K50 PolarHBondContact N-O 2.92Å; C47-K50 PolarHBondContact O-N 3.09Å; G48-K50 PolarHBondContact O-N 2.93Å; K50-A52 PolarHBondContact O-N 2.91Å
51	P	98.7	Very high	98.3	Very high	54 Å²	54	46.5 Å²	46.5	35%	0.351	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.6	131.5	166.7	-23.5	33.7	0	0	0	111.3	F46 S53 D78	F46-P51 HydrophobicContact CE1-CG 4.34Å; P51-S53 PolarHBondContact O-N 3.03Å; P51-D78 WeakPolarHBondContact CB-O 3.21Å
52	A	98.5	Very high	98.1	Very high	10 Å²	10	51.7 Å²	51.7	8%	0.083	26%	0.256	C	S	.	.			trans	-89.4	86.1	179.6	0	0	0	0	0	109.6	L45 C47 K50 V55 T75 L139	L45-A52 HydrophobicContact CB-CB 4.06Å; L45-A52 PolarHBondContact O-N 3.17Å; C47-A52 HydrophobicContact CB-CB 4.34Å; K50-A52 PolarHBondContact O-N 2.91Å; A52-V55 HydrophobicContact CB-CG2 3.82Å; A52-T75 WeakPolarHBondContact O-CB 3.32Å; A52-T75 PolarHBondContact O-OG1 3.23Å; A52-L139 HydrophobicContact CB-CD1 3.62Å
53	S	98.1	Very high	97.8	Very high	57 Å²	57	49.9 Å²	49.9	40%	0.399	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79	158.5	175.6	63.9	0	0	0	0	112.4	P51 V55 T75 R76	P51-S53 PolarHBondContact O-N 3.03Å; S53-V55 PolarHBondContact O-N 2.64Å; S53-V55 VanDerWaalsContact O-N 3.13Å; S53-T75 VanDerWaalsContact C-OG1 3.31Å; S53-T75 WeakPolarHBondContact CA-OG1 3.34Å; S53-R76 WeakPolarHBondContact CA-O 2.95Å; S53-R76 WeakPolarHBondContact CB-O 3.11Å
54	K	97.5	Very high	97.3	Very high	159 Å²	159	58.3 Å²	58.3	69%	0.691	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.8	25.3	178.6	-56.3	-176.2	179.6	-179.3	0	114.2	T75	K54-T75 PolarHBondContact N-O 3.23Å; K54-T75 PolarHBondContact N-OG1 3.01Å; K54-T75 VanDerWaalsContact N-OG1 3.15Å
55	V	97.6	Very high	96.8	Very high	14 Å²	14	62.3 Å²	62.3	9%	0.085	32%	0.319	C	S	.	.			trans	-82.5	124.9	172	174.1	0	0	0	0	108	L45 A52 S53 V57 E74 T75 V99 Y100 H101 L139	L45-V55 HydrophobicContact CD1-CB 4.34Å; L45-V55 HydrophobicContact CD1-CG1 3.84Å; A52-V55 HydrophobicContact CB-CG2 3.82Å; S53-V55 PolarHBondContact O-N 2.64Å; S53-V55 VanDerWaalsContact O-N 3.13Å; V55-V57 HydrophobicContact CG1-CG1 4.45Å; V55-V57 PolarHBondContact O-N 3.46Å; V55-E74 CarbonylContact O-C 3.6Å; V55-E74 VanDerWaalsContact O-CA 3.29Å; V55-E74 WeakPolarHBondContact O-CA 3.37Å; V55-T75 HydrophobicContact CB-CG2 4.02Å; V55-T75 WeakPolarHBondContact CB-OG1 3.33Å; V55-T75 PolarHBondContact N-OG1 2.99Å; V55-T75 PolarHBondContact O-N 3.06Å; V55-V99 HydrophobicContact CG1-CG1 3.66Å; V55-Y100 WeakPolarHBondContact CG1-O 3.49Å; V55-H101 HydrophobicContact CG1-CB 3.99Å; V55-H101 HydrophobicContact CG2-CB 4.34Å; V55-L139 HydrophobicContact CG2-CD1 4.07Å
56	T	97.6	Very high	96.5	Very high	14 Å²	14	68.8 Å²	68.8	9%	0.086	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	123.2	176.9	-47.5	0	0	0	0	109.2	K72 Y100 K110	T56-K72 HydrophobicContact CG2-CG 4.31Å; T56-Y100 HydrophobicContact CG2-CD2 4.29Å; T56-Y100 PolarHBondContact O-N 2.73Å; T56-K110 PolarHBondContact OG1-NZ 2.81Å
57	V	98.4	Very high	96.3	Very high	0 Å²	0	69.3 Å²	69.3	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	137.8	172.2	-63.4	0	0	0	0	109.2	L45 V55 K72 Q73 T75 F81 L83 L97 K98 V99	L45-V57 HydrophobicContact CD1-CG1 3.97Å; V55-V57 HydrophobicContact CG1-CG1 4.45Å; V55-V57 PolarHBondContact O-N 3.46Å; V57-K72 WeakPolarHBondContact O-CA 3.4Å; V57-Q73 HydrophobicContact CG2-CG 3.51Å; V57-Q73 PolarHBondContact N-O 3.02Å; V57-Q73 PolarHBondContact O-N 2.03Å; V57-Q73 VanDerWaalsContact O-O 3.11Å; V57-T75 HydrophobicContact CG1-CG2 4.24Å; V57-F81 HydrophobicContact CG1-CD1 4.41Å; V57-F81 HydrophobicContact CG1-CG 4.43Å; V57-F81 HydrophobicContact CG2-CB 3.95Å; V57-F81 HydrophobicContact CG2-CD2 4.02Å; V57-F81 HydrophobicContact CG2-CG 4Å; V57-L83 HydrophobicContact CB-CD1 4.2Å; V57-L83 HydrophobicContact CG2-CD1 3.95Å; V57-L83 HydrophobicContact CG2-CD2 4.36Å; V57-L83 HydrophobicContact CG2-CG 4.25Å; V57-L97 HydrophobicContact CB-CD1 4.27Å; V57-K98 CarbonylContact C-O 3.58Å; V57-K98 WeakPolarHBondContact CA-O 3.45Å; V57-V99 HydrophobicContact CG1-CG1 4.28Å; V57-V99 HydrophobicContact CG1-CG2 4.19Å
58	K	98.1	Very high	96.2	Very high	47 Å²	47	70 Å²	70	20%	0.204	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	126.6	-174.1	-166	-173	-176.9	-166.6	0	109.3	I60 T69 A71 K72 K98 Y100	K58-I60 HydrophobicContact CB-CG2 4.44Å; K58-I60 HydrophobicContact CD-CG2 3.51Å; K58-I60 HydrophobicContact CG-CG2 3.65Å; K58-T69 HydrophobicContact CD-CG2 4.25Å; K58-T69 VanDerWaalsContact CE-CB 3.5Å; K58-T69 WeakPolarHBondContact CE-OG1 3.28Å; K58-T69 HydrophobicContact CG-CG2 4.02Å; K58-T69 PolarHBondContact NZ-OG1 2.87Å; K58-A71 CarbonylContact C-O 3.59Å; K58-A71 WeakPolarHBondContact CA-O 3.34Å; K58-K72 HydrophobicContact CG-CB 4.32Å; K58-K72 HydrophobicContact CG-CG 4.46Å; K58-K98 HydrophobicContact CB-CB 4.35Å; K58-K98 PolarHBondContact N-O 3.22Å; K58-K98 PolarHBondContact O-N 2.82Å; K58-Y100 HydrophobicContact CB-CE2 4.04Å
59	L	98.6	Very high	96.2	Very high	0 Å²	0	72.7 Å²	72.7	0%	0	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	122.3	169.1	-177.9	62.3	0	0	0	106.6	V39 V41 L70 A71 L83 P95 V117	V39-L59 HydrophobicContact CG1-CD1 4.16Å; V39-L59 HydrophobicContact CG1-CD2 3.75Å; V39-L59 HydrophobicContact CG1-CG 4.21Å; V39-L59 WeakPolarHBondContact O-CD2 3.4Å; V41-L59 HydrophobicContact CG2-CD1 3.86Å; L59-L70 HydrophobicContact CB-CB 4.5Å; L59-L70 HydrophobicContact CD2-CB 4.26Å; L59-L70 HydrophobicContact CG-CB 4.1Å; L59-L70 HydrophobicContact CG-CD1 4.26Å; L59-L70 PolarHBondContact O-N 2.96Å; L59-A71 HydrophobicContact CB-CB 4.19Å; L59-A71 HydrophobicContact CD2-CB 4.47Å; L59-A71 PolarHBondContact N-O 3.46Å; L59-A71 PolarHBondContact O-N 2.81Å; L59-L83 HydrophobicContact CB-CB 4.21Å; L59-L83 HydrophobicContact CB-CD1 3.85Å; L59-L83 HydrophobicContact CD2-CB 4.29Å; L59-P95 HydrophobicContact CD1-CB 4.28Å; L59-V117 HydrophobicContact CD1-CG2 4.31Å
60	I	97.9	Very high	96.2	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	151.9	-177.9	63.7	99.7	0	0	0	110.4	K58 R62 D67 D68 P95 E96 K98	K58-I60 HydrophobicContact CB-CG2 4.44Å; K58-I60 HydrophobicContact CD-CG2 3.51Å; K58-I60 HydrophobicContact CG-CG2 3.65Å; I60-R62 HydrophobicContact CD1-CB 4.16Å; I60-D67 HydrophobicContact CD1-CB 4.17Å; I60-D68 CarbonylContact C-O 3.52Å; I60-D68 WeakPolarHBondContact CA-O 3.41Å; I60-D68 WeakPolarHBondContact CB-O 3.49Å; I60-P95 WeakPolarHBondContact O-CA 3.45Å; I60-E96 HydrophobicContact CD1-CB 3.83Å; I60-E96 HydrophobicContact CD1-CG 4.28Å; I60-E96 HydrophobicContact CG1-CB 3.94Å; I60-E96 PolarHBondContact N-O 3.44Å; I60-E96 PolarHBondContact O-N 3.37Å; I60-K98 HydrophobicContact CG1-CD 3.92Å; I60-K98 HydrophobicContact CG1-CG 4.19Å; I60-K98 HydrophobicContact CG2-CD 4.33Å
61	E	97.6	Very high	96.2	Very high	4 Å²	4	58.9 Å²	58.9	2%	0.019	30%	0.302	C	S	.	.			trans	-88.5	139.5	160	174.4	46.1	-141.6	0	0	109.3	D67 D68 L70 I93 E94	E61-D67 CarbonylContact O-C 3.5Å; E61-D67 WeakPolarHBondContact O-CA 3.49Å; E61-D67 WeakPolarHBondContact O-CB 3.3Å; E61-D68 HydrophobicContact CB-CB 4.46Å; E61-D68 PolarHBondContact N-O 3.48Å; E61-D68 PolarHBondContact O-N 2.84Å; E61-L70 HydrophobicContact CB-CD1 4.35Å; E61-L70 HydrophobicContact CB-CD2 3.99Å; E61-L70 HydrophobicContact CB-CG 4.29Å; E61-I93 HydrophobicContact CG-CG2 4.43Å; E61-I93 VanDerWaalsContact OE2-C 3.32Å; E61-I93 VanDerWaalsContact OE2-CA 3.3Å; E61-I93 WeakPolarHBondContact OE2-CA 3.41Å; E61-I93 WeakPolarHBondContact OE2-CB 3.29Å; E61-E94 PolarHBondContact OE1-N 2.68Å; E61-E94 VanDerWaalsContact OE2-C 3.28Å; E61-E94 WeakPolarHBondContact OE2-CA 3.48Å; E61-E94 PolarHBondContact OE2-N 3.33Å
62	R	96.2	Very high	96.2	Very high	109 Å²	109	63.2 Å²	63.2	41%	0.411	32%	0.316	S	S	.	.			trans	-102.7	112.2	-178.3	-175.9	-162.8	-174.3	136.3	5.2	110	I60 E94 E96	I60-R62 HydrophobicContact CD1-CB 4.16Å; R62-E94 HydrophobicContact CB-CB 4.04Å; R62-E94 WeakPolarHBondContact CB-O 3.5Å; R62-E94 PolarHBondContact N-O 2.81Å; R62-E96 IonicContact CZ-OE1 2.81Å; R62-E96 IonicContact NH1-OE1 2.63Å; R62-E96 PolarHBondContact NH1-OE1 2.71Å
63	D	92.4	Very high	96.2	Very high	44 Å²	44	65 Å²	65	24%	0.235	32%	0.322	C	S	.	.			trans	-109.5	164.8	179.4	-62.9	-71.5	0	0	0	113.1	I65 K66	D63-I65 VanDerWaalsContact C-N 3.31Å; D63-I65 PolarHBondContact O-N 2.89Å; D63-K66 WeakPolarHBondContact CB-O 3.47Å; D63-K66 VanDerWaalsContact OD2-O 3.11Å
64	L	88.1	Confident	96.2	Very high	186 Å²	186	67.5 Å²	67.5	97%	0.974	33%	0.327	S	S	*	.	S	Bend	trans	-64.1	-35.4	174.2	-65.3	178.1	0	0	0	112.9
65	I	88.3	Confident	96.3	Very high	171 Å²	171	60.1 Å²	60.1	88%	0.877	30%	0.296	S	S	*	.	S	Bend	trans	-109.7	-47.4	-172.3	-58.7	177.4	0	0	0	111.6	D63	D63-I65 VanDerWaalsContact C-N 3.31Å; D63-I65 PolarHBondContact O-N 2.89Å
66	K	92.1	Very high	96.3	Very high	138 Å²	138	66 Å²	66	60%	0.6	32%	0.316	S	S	*	.			trans	-153.6	109.4	-174.2	177.9	-173.8	159.6	-87.7	0	111.1	D63 D68	D63-K66 WeakPolarHBondContact CB-O 3.47Å; D63-K66 VanDerWaalsContact OD2-O 3.11Å; K66-D68 IonicContact NZ-OD1 2.73Å; K66-D68 PolarHBondContact NZ-OD1 2.76Å; K66-D68 PolarHBondContact O-N 3.08Å
67	D	94	Very high	96.4	Very high	59 Å²	59	73.9 Å²	73.9	32%	0.316	35%	0.352	S	S	.	.			trans	-54.2	128.9	171.1	-57.1	2.1	0	0	0	112.8	I60 E61 K98	I60-D67 HydrophobicContact CD1-CB 4.17Å; E61-D67 CarbonylContact O-C 3.5Å; E61-D67 WeakPolarHBondContact O-CA 3.49Å; E61-D67 WeakPolarHBondContact O-CB 3.3Å; D67-K98 IonicContact OD2-NZ 3.2Å; D67-K98 PolarHBondContact OD2-NZ 2.92Å
68	D	96.2	Very high	96.4	Very high	58 Å²	58	76.5 Å²	76.5	31%	0.31	37%	0.366	S	S	.	.			trans	-91.2	156.4	172.5	-75.9	-29.6	0	0	0	113.6	I60 E61 K66	I60-D68 CarbonylContact C-O 3.52Å; I60-D68 WeakPolarHBondContact CA-O 3.41Å; I60-D68 WeakPolarHBondContact CB-O 3.49Å; E61-D68 HydrophobicContact CB-CB 4.46Å; E61-D68 PolarHBondContact N-O 3.48Å; E61-D68 PolarHBondContact O-N 2.84Å; K66-D68 IonicContact NZ-OD1 2.73Å; K66-D68 PolarHBondContact NZ-OD1 2.76Å; K66-D68 PolarHBondContact O-N 3.08Å
69	T	97.8	Very high	96.4	Very high	72 Å²	72	74.2 Å²	74.2	44%	0.442	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	108.1	-175.4	-54.2	0	0	0	0	109.5	K58 K72	K58-T69 HydrophobicContact CD-CG2 4.25Å; K58-T69 VanDerWaalsContact CE-CB 3.5Å; K58-T69 WeakPolarHBondContact CE-OG1 3.28Å; K58-T69 HydrophobicContact CG-CG2 4.02Å; K58-T69 PolarHBondContact NZ-OG1 2.87Å; T69-K72 HydrophobicContact CG2-CB 4.46Å
70	L	98	Very high	96.4	Very high	23 Å²	23	75.2 Å²	75.2	12%	0.12	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	-40.7	-178.9	-48.4	-173.3	0	0	0	111.3	V39 L59 E61 D87	V39-L70 HydrophobicContact CG1-CD1 3.94Å; L59-L70 HydrophobicContact CB-CB 4.5Å; L59-L70 HydrophobicContact CD2-CB 4.26Å; L59-L70 HydrophobicContact CG-CB 4.1Å; L59-L70 HydrophobicContact CG-CD1 4.26Å; L59-L70 PolarHBondContact O-N 2.96Å; E61-L70 HydrophobicContact CB-CD1 4.35Å; E61-L70 HydrophobicContact CB-CD2 3.99Å; E61-L70 HydrophobicContact CB-CG 4.29Å; L70-D87 HydrophobicContact CD2-CB 3.64Å; L70-D87 VanDerWaalsContact CD2-OD2 3.3Å; L70-D87 WeakPolarHBondContact CD2-OD2 3.26Å
71	A	98.4	Very high	96.5	Very high	17 Å²	17	75.4 Å²	75.4	14%	0.14	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	154.2	176.6	0	0	0	0	0	111.6	K58 L59 L83 D84	K58-A71 CarbonylContact C-O 3.59Å; K58-A71 WeakPolarHBondContact CA-O 3.34Å; L59-A71 HydrophobicContact CB-CB 4.19Å; L59-A71 HydrophobicContact CD2-CB 4.47Å; L59-A71 PolarHBondContact N-O 3.46Å; L59-A71 PolarHBondContact O-N 2.81Å; A71-L83 HydrophobicContact CB-CB 4.16Å; A71-L83 HydrophobicContact CB-CD2 3.85Å; A71-D84 WeakPolarHBondContact CB-O 3.48Å
72	K	98.5	Very high	96.5	Very high	146 Å²	146	78.6 Å²	78.6	64%	0.635	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-148.1	137.5	176.4	-177.7	-174.2	173.5	-170.3	0	109.9	T56 V57 K58 T69	T56-K72 HydrophobicContact CG2-CG 4.31Å; V57-K72 WeakPolarHBondContact O-CA 3.4Å; K58-K72 HydrophobicContact CG-CB 4.32Å; K58-K72 HydrophobicContact CG-CG 4.46Å; T69-K72 HydrophobicContact CG2-CB 4.46Å
73	Q	98.4	Very high	96.7	Very high	48 Å²	48	73.6 Å²	73.6	22%	0.224	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	178.4	169.9	75.1	-166.8	-32	0	0	111.3	V57 F81 H82 L83	V57-Q73 HydrophobicContact CG2-CG 3.51Å; V57-Q73 PolarHBondContact N-O 3.02Å; V57-Q73 PolarHBondContact O-N 2.03Å; V57-Q73 VanDerWaalsContact O-O 3.11Å; Q73-F81 HydrophobicContact CG-CB 4.43Å; Q73-H82 PolarHBondContact NE2-O 2.96Å; Q73-H82 PolarHBondContact OE1-O 2.9Å; Q73-L83 HydrophobicContact CB-CD2 4.13Å; Q73-L83 HydrophobicContact CG-CD2 3.68Å; Q73-L83 HydrophobicContact CG-CG 4.43Å
74	E	98.6	Very high	96.9	Very high	108 Å²	108	75 Å²	75	51%	0.505	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	147.2	162.7	-62.6	-166.8	148	0	0	110.1	V55	V55-E74 CarbonylContact O-C 3.6Å; V55-E74 VanDerWaalsContact O-CA 3.29Å; V55-E74 WeakPolarHBondContact O-CA 3.37Å
75	T	98.8	Very high	97.4	Very high	5 Å²	5	66.2 Å²	66.2	3%	0.031	32%	0.323	C	S	.	.			trans	-60.9	143.2	171.7	51.9	0	0	0	0	111	L45 A52 S53 K54 V55 V57 G79 S80 F81	L45-T75 HydrophobicContact CB-CG2 4.45Å; L45-T75 HydrophobicContact CD1-CG2 3.88Å; L45-T75 HydrophobicContact CG-CG2 4.27Å; A52-T75 WeakPolarHBondContact O-CB 3.32Å; A52-T75 PolarHBondContact O-OG1 3.23Å; S53-T75 VanDerWaalsContact C-OG1 3.31Å; S53-T75 WeakPolarHBondContact CA-OG1 3.34Å; K54-T75 PolarHBondContact N-O 3.23Å; K54-T75 PolarHBondContact N-OG1 3.01Å; K54-T75 VanDerWaalsContact N-OG1 3.15Å; V55-T75 HydrophobicContact CB-CG2 4.02Å; V55-T75 WeakPolarHBondContact CB-OG1 3.33Å; V55-T75 PolarHBondContact N-OG1 2.99Å; V55-T75 PolarHBondContact O-N 3.06Å; V57-T75 HydrophobicContact CG1-CG2 4.24Å; T75-G79 WeakPolarHBondContact CG2-O 2.99Å; T75-S80 WeakPolarHBondContact CA-O 3.01Å; T75-F81 HydrophobicContact CG2-CB 4.14Å; T75-F81 HydrophobicContact CG2-CD1 4.07Å; T75-F81 HydrophobicContact CG2-CG 4.5Å
76	R	98.8	Very high	97.8	Very high	136 Å²	136	60.8 Å²	60.8	51%	0.513	30%	0.297	S	S	.	.			trans	-67.8	176	176.9	-59.4	-173.3	-175.1	100.8	-0	111.3	S53 D78 G79 S80	S53-R76 WeakPolarHBondContact CA-O 2.95Å; S53-R76 WeakPolarHBondContact CB-O 3.11Å; R76-D78 PolarHBondContact O-N 2.88Å; R76-D78 VanDerWaalsContact O-N 3.17Å; R76-G79 WeakPolarHBondContact O-CA 3.05Å; R76-G79 PolarHBondContact O-N 3.3Å; R76-S80 PolarHBondContact N-O 2.63Å; R76-S80 PolarHBondContact NH1-OG 2.9Å
77	E	98.7	Very high	98	Very high	180 Å²	180	55.7 Å²	55.7	84%	0.841	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-35.2	177.8	-65.3	-174.1	165	0	0	112.9	G79	E77-G79 PolarHBondContact O-N 3.3Å
78	D	98.7	Very high	98.1	Very high	55 Å²	55	58 Å²	58	29%	0.294	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	5.1	179.6	88.5	-38.8	0	0	0	112.5	R44 P51 R76 S80	R44-D78 WeakPolarHBondContact CG-O 3.45Å; R44-D78 IonicContact CZ-OD2 3.36Å; R44-D78 PolarHBondContact NE-O 3.16Å; R44-D78 IonicContact NH1-OD2 3.7Å; R44-D78 PolarHBondContact NH1-OD2 2.84Å; R44-D78 VanDerWaalsContact NH2-CB 3.32Å; R44-D78 PolarHBondContact NH2-O 2.93Å; R44-D78 IonicContact NH2-OD2 3.66Å; P51-D78 WeakPolarHBondContact CB-O 3.21Å; R76-D78 PolarHBondContact O-N 2.88Å; R76-D78 VanDerWaalsContact O-N 3.17Å; D78-S80 PolarHBondContact O-N 2.85Å; D78-S80 WeakPolarHBondContact OD1-CB 3.37Å; D78-S80 PolarHBondContact OD1-N 2.81Å; D78-S80 PolarHBondContact OD1-OG 2.77Å
79	G	98.8	Very high	97.8	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	29%	0.285	C	S	.	.	S	Bend	trans	78.6	-0.6	-178.5	0	0	0	0	0	114.3	R44 L45 T75 R76 E77	R44-G79 WeakPolarHBondContact CA-O 3.41Å; L45-G79 PolarHBondContact N-O 2.94Å; T75-G79 WeakPolarHBondContact CG2-O 2.99Å; R76-G79 WeakPolarHBondContact O-CA 3.05Å; R76-G79 PolarHBondContact O-N 3.3Å; E77-G79 PolarHBondContact O-N 3.3Å
80	S	98.9	Very high	97.5	Very high	20 Å²	20	59.1 Å²	59.1	14%	0.14	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	153.4	-179.5	70.3	0	0	0	0	112.8	G43 T75 R76 D78	G43-S80 CarbonylContact O-C 3.55Å; G43-S80 WeakPolarHBondContact O-CA 3.39Å; T75-S80 WeakPolarHBondContact CA-O 3.01Å; R76-S80 PolarHBondContact N-O 2.63Å; R76-S80 PolarHBondContact NH1-OG 2.9Å; D78-S80 PolarHBondContact O-N 2.85Å; D78-S80 WeakPolarHBondContact OD1-CB 3.37Å; D78-S80 PolarHBondContact OD1-N 2.81Å; D78-S80 PolarHBondContact OD1-OG 2.77Å
81	F	98.9	Very high	97.2	Very high	4 Å²	4	60.3 Å²	60.3	2%	0.018	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	151.8	172	72.5	-91.2	0	0	0	110.2	V41 K42 G43 L45 V57 Q73 T75 L83 L97 I134	V41-F81 HydrophobicContact CG1-CE2 4.24Å; K42-F81 VanDerWaalsContact CA-O 3.26Å; K42-F81 WeakPolarHBondContact CA-O 3.4Å; K42-F81 WeakPolarHBondContact CB-O 3.44Å; G43-F81 PolarHBondContact N-O 3.43Å; G43-F81 VanDerWaalsContact N-O 3.09Å; G43-F81 WeakPolarHBondContact O-CD1 3.3Å; G43-F81 PolarHBondContact O-N 3.41Å; L45-F81 HydrophobicContact CD1-CE1 4.35Å; L45-F81 HydrophobicContact CD2-CE1 4.16Å; L45-F81 HydrophobicContact CG-CD1 4.22Å; L45-F81 HydrophobicContact CG-CE1 3.95Å; V57-F81 HydrophobicContact CG1-CD1 4.41Å; V57-F81 HydrophobicContact CG1-CG 4.43Å; V57-F81 HydrophobicContact CG2-CB 3.95Å; V57-F81 HydrophobicContact CG2-CD2 4.02Å; V57-F81 HydrophobicContact CG2-CG 4Å; Q73-F81 HydrophobicContact CG-CB 4.43Å; T75-F81 HydrophobicContact CG2-CB 4.14Å; T75-F81 HydrophobicContact CG2-CD1 4.07Å; T75-F81 HydrophobicContact CG2-CG 4.5Å; F81-L83 HydrophobicContact CD2-CG 4.41Å; F81-L97 HydrophobicContact CE2-CD1 4.18Å; F81-L97 HydrophobicContact CE2-CD2 4.09Å; F81-L97 HydrophobicContact CZ-CD2 3.81Å; F81-I134 HydrophobicContact CE1-CD1 3.99Å; F81-I134 HydrophobicContact CE1-CG1 4.45Å; F81-I134 HydrophobicContact CZ-CD1 3.65Å; F81-I134 HydrophobicContact CZ-CG1 4.02Å
82	H	98.8	Very high	97	Very high	71 Å²	71	63.6 Å²	63.6	33%	0.329	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	111.7	169.6	-173.4	159.4	0	0	0	108.2	Q40 V41 K42 Q73	Q40-H82 PolarHBondContact OE1-NE2 2.97Å; V41-H82 CarbonylContact O-C 3.57Å; V41-H82 WeakPolarHBondContact O-CA 3.42Å; K42-H82 HydrophobicContact CB-CB 4.11Å; Q73-H82 PolarHBondContact NE2-O 2.96Å; Q73-H82 PolarHBondContact OE1-O 2.9Å
83	L	98.8	Very high	96.9	Very high	4 Å²	4	56.7 Å²	56.7	2%	0.021	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	136.3	177	-68.5	172	0	0	0	109.1	Q40 V41 V57 L59 A71 Q73 F81 L97	Q40-L83 CarbonylContact C-O 3.59Å; Q40-L83 VanDerWaalsContact CA-O 3.27Å; Q40-L83 WeakPolarHBondContact CA-O 3.39Å; V41-L83 PolarHBondContact N-O 2.93Å; V41-L83 PolarHBondContact O-N 2.98Å; V57-L83 HydrophobicContact CB-CD1 4.2Å; V57-L83 HydrophobicContact CG2-CD1 3.95Å; V57-L83 HydrophobicContact CG2-CD2 4.36Å; V57-L83 HydrophobicContact CG2-CG 4.25Å; L59-L83 HydrophobicContact CB-CB 4.21Å; L59-L83 HydrophobicContact CB-CD1 3.85Å; L59-L83 HydrophobicContact CD2-CB 4.29Å; A71-L83 HydrophobicContact CB-CB 4.16Å; A71-L83 HydrophobicContact CB-CD2 3.85Å; Q73-L83 HydrophobicContact CB-CD2 4.13Å; Q73-L83 HydrophobicContact CG-CD2 3.68Å; Q73-L83 HydrophobicContact CG-CG 4.43Å; F81-L83 HydrophobicContact CD2-CG 4.41Å; L83-L97 HydrophobicContact CD1-CD1 3.69Å
84	D	98.2	Very high	96.9	Very high	73 Å²	73	59.5 Å²	59.5	39%	0.39	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	119.3	174.3	-179.5	8.9	0	0	0	107.9	R38 Q40 A71	R38-D84 IonicContact CZ-OD1 3.56Å; R38-D84 IonicContact CZ-OD2 3.41Å; R38-D84 IonicContact NE-OD1 2.81Å; R38-D84 PolarHBondContact NE-OD1 2.83Å; R38-D84 IonicContact NE-OD2 3.33Å; R38-D84 PolarHBondContact NE-OD2 3.22Å; R38-D84 IonicContact NH2-OD1 3.52Å; R38-D84 IonicContact NH2-OD2 2.68Å; R38-D84 PolarHBondContact NH2-OD2 2.92Å; Q40-D84 HydrophobicContact CG-CB 3.97Å; Q40-D84 WeakPolarHBondContact CG-OD1 3.49Å; A71-D84 WeakPolarHBondContact CB-O 3.48Å
85	G	97.8	Very high	96.9	Very high	3 Å²	3	54.5 Å²	54.5	3%	0.031	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	149.7	-174.2	0	0	0	0	0	111.5	R38 V39	R38-G85 WeakPolarHBondContact CA-O 3.47Å; V39-G85 PolarHBondContact N-O 3.34Å; V39-G85 PolarHBondContact O-N 2.88Å; V39-G85 VanDerWaalsContact O-N 3.08Å
86	T	97.3	Very high	96.8	Very high	56 Å²	56	54.6 Å²	54.6	34%	0.344	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	149.5	174.3	64	0	0	0	0	110.4	K36 Q37 R38	K36-T86 WeakPolarHBondContact CE-OG1 3.44Å; Q37-T86 CarbonylContact O-C 3.53Å; Q37-T86 WeakPolarHBondContact O-CA 3.22Å; Q37-T86 VanDerWaalsContact O-CB 3.26Å; Q37-T86 WeakPolarHBondContact O-CB 3.45Å; R38-T86 HydrophobicContact CB-CG2 3.88Å; R38-T86 HydrophobicContact CG-CG2 3.86Å
87	D	96.2	Very high	96.8	Very high	32 Å²	32	48.1 Å²	48.1	17%	0.171	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	157.7	170.6	-143	-15.2	0	0	0	111.6	K36 Q37 L70 I93	K36-D87 CarbonylContact C-O 3.6Å; K36-D87 VanDerWaalsContact CA-O 3.24Å; K36-D87 WeakPolarHBondContact CA-O 3.32Å; Q37-D87 PolarHBondContact N-O 2.89Å; Q37-D87 PolarHBondContact O-N 2.92Å; L70-D87 HydrophobicContact CD2-CB 3.64Å; L70-D87 VanDerWaalsContact CD2-OD2 3.3Å; L70-D87 WeakPolarHBondContact CD2-OD2 3.26Å; D87-I93 HydrophobicContact CB-CG2 3.98Å
88	D	94.7	Very high	96.6	Very high	106 Å²	106	40.3 Å²	40.3	57%	0.567	23%	0.225	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-108.5	99.6	169.9	-167.4	-5	0	0	0	109.3	G34 K35	G34-D88 WeakPolarHBondContact CA-OD1 3.48Å; K35-D88 PolarHBondContact N-OD1 2.99Å
89	E	90.6	Very high	96.5	Very high	49 Å²	49	37.7 Å²	37.7	23%	0.229	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	142.1	-166.8	-176.5	49.6	-130.3	0	0	112	G34 K35 G91 I93	G34-E89 WeakPolarHBondContact CA-O 3.18Å; K35-E89 PolarHBondContact N-O 3.08Å; K35-E89 PolarHBondContact O-N 2.94Å; E89-G91 PolarHBondContact O-N 3.1Å; E89-I93 HydrophobicContact CB-CG2 3.62Å; E89-I93 HydrophobicContact CG-CG2 4.02Å
90	I	90.7	Very high	96.3	Very high	105 Å²	105	38.7 Å²	38.7	54%	0.538	22%	0.215	S	C	.	.	S	Bend	trans	-81.7	99.7	170.3	-61.3	174.3	0	0	0	107.9	V32	V32-I90 HydrophobicContact CG1-CD1 3.79Å; V32-I90 WeakPolarHBondContact O-CD1 3.27Å
91	G	91.9	Very high	96.1	Very high	48 Å²	48	38 Å²	38	50%	0.495	21%	0.209	S	C	.	.	S	Bend	trans	115	-143.7	-177.3	0	0	0	0	0	110.7	Q37 E89	Q37-G91 PolarHBondContact NE2-O 2.8Å; E89-G91 PolarHBondContact O-N 3.1Å
92	T	94.8	Very high	95.8	Very high	86 Å²	86	42.4 Å²	42.4	53%	0.528	23%	0.226	S	C	.	.			trans	-113.2	129.3	178.1	-62.3	0	0	0	0	108.5	I122	T92-I122 HydrophobicContact CG2-CD1 3.63Å
93	I	97	Very high	95.7	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.005	21%	0.213	C	C	.	.			trans	-57.8	144	173.8	56.3	166.4	0	0	0	110.3	Q37 V39 E61 D87 E89 P95 I122	Q37-I93 HydrophobicContact CB-CD1 3.9Å; Q37-I93 HydrophobicContact CB-CG1 4.03Å; Q37-I93 HydrophobicContact CB-CG2 4.29Å; V39-I93 HydrophobicContact CB-CD1 4.28Å; V39-I93 HydrophobicContact CG1-CD1 4.02Å; E61-I93 HydrophobicContact CG-CG2 4.43Å; E61-I93 VanDerWaalsContact OE2-C 3.32Å; E61-I93 VanDerWaalsContact OE2-CA 3.3Å; E61-I93 WeakPolarHBondContact OE2-CA 3.41Å; E61-I93 WeakPolarHBondContact OE2-CB 3.29Å; D87-I93 HydrophobicContact CB-CG2 3.98Å; E89-I93 HydrophobicContact CB-CG2 3.62Å; E89-I93 HydrophobicContact CG-CG2 4.02Å; I93-P95 HydrophobicContact CD1-CG 4.41Å; I93-P95 HydrophobicContact CG1-CG 4.5Å; I93-P95 WeakPolarHBondContact O-CD 3.49Å; I93-I122 HydrophobicContact CD1-CG1 4.27Å; I93-I122 HydrophobicContact CD1-CG2 3.92Å; I93-I122 HydrophobicContact CG1-CB 4.46Å; I93-I122 HydrophobicContact CG1-CD1 3.88Å; I93-I122 HydrophobicContact CG1-CG1 3.99Å; I93-I122 HydrophobicContact CG1-CG2 3.64Å; I93-I122 WeakPolarHBondContact O-CD1 3.37Å
94	E	97.6	Very high	95.3	Very high	108 Å²	108	44.9 Å²	44.9	51%	0.505	24%	0.242	S	C	.	.			trans	-105.3	69.3	171.6	-63.4	-167.1	173.5	0	0	112.1	E61 R62 E96	E61-E94 PolarHBondContact OE1-N 2.68Å; E61-E94 VanDerWaalsContact OE2-C 3.28Å; E61-E94 WeakPolarHBondContact OE2-CA 3.48Å; E61-E94 PolarHBondContact OE2-N 3.33Å; R62-E94 HydrophobicContact CB-CB 4.04Å; R62-E94 WeakPolarHBondContact CB-O 3.5Å; R62-E94 PolarHBondContact N-O 2.81Å; E94-E96 PolarHBondContact O-N 3.28Å
95	P	98.4	Very high	94.8	Very high	3 Å²	3	42.2 Å²	42.2	2%	0.019	23%	0.229	C	C	.	.			trans	-67.4	132.8	-171.7	22.7	-32.2	0	0	0	114	V39 L59 I60 I93 V117 I122	V39-P95 HydrophobicContact CB-CB 4.49Å; V39-P95 HydrophobicContact CB-CG 4.44Å; V39-P95 HydrophobicContact CG1-CB 3.81Å; V39-P95 HydrophobicContact CG1-CG 4.24Å; V39-P95 HydrophobicContact CG2-CB 4.25Å; V39-P95 HydrophobicContact CG2-CG 4.08Å; L59-P95 HydrophobicContact CD1-CB 4.28Å; I60-P95 WeakPolarHBondContact O-CA 3.45Å; I93-P95 HydrophobicContact CD1-CG 4.41Å; I93-P95 HydrophobicContact CG1-CG 4.5Å; I93-P95 WeakPolarHBondContact O-CD 3.49Å; P95-V117 HydrophobicContact CB-CB 4.08Å; P95-V117 HydrophobicContact CB-CG2 4.26Å; P95-V117 HydrophobicContact CG-CB 3.95Å; P95-V117 HydrophobicContact CG-CG1 4.41Å; P95-V117 WeakPolarHBondContact O-CB 3.35Å; P95-V117 PolarHBondContact O-N 2.77Å; P95-I122 HydrophobicContact CG-CD1 4.05Å; P95-I122 HydrophobicContact CG-CG1 3.91Å
96	E	97.8	Very high	94.2	Very high	7 Å²	7	52.3 Å²	52.3	3%	0.033	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	136.6	170.9	-60.2	-178.6	158.3	0	0	111.4	I60 R62 E94 I114 I115 K116	I60-E96 HydrophobicContact CD1-CB 3.83Å; I60-E96 HydrophobicContact CD1-CG 4.28Å; I60-E96 HydrophobicContact CG1-CB 3.94Å; I60-E96 PolarHBondContact N-O 3.44Å; I60-E96 PolarHBondContact O-N 3.37Å; R62-E96 IonicContact CZ-OE1 2.81Å; R62-E96 IonicContact NH1-OE1 2.63Å; R62-E96 PolarHBondContact NH1-OE1 2.71Å; E94-E96 PolarHBondContact O-N 3.28Å; E96-I114 HydrophobicContact CB-CG2 4.05Å; E96-I114 HydrophobicContact CG-CG2 4.08Å; E96-I114 WeakPolarHBondContact OE2-CG2 3.4Å; E96-I115 CarbonylContact C-O 3.59Å; E96-I115 WeakPolarHBondContact CA-O 3.2Å; E96-K116 HydrophobicContact CG-CG 4.36Å
97	L	97.8	Very high	93.6	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	118.1	164.4	176.1	69.6	0	0	0	109.1	V41 V57 F81 L83 V99 I115 I134	V41-L97 HydrophobicContact CG1-CD2 4.01Å; V57-L97 HydrophobicContact CB-CD1 4.27Å; F81-L97 HydrophobicContact CE2-CD1 4.18Å; F81-L97 HydrophobicContact CE2-CD2 4.09Å; F81-L97 HydrophobicContact CZ-CD2 3.81Å; L83-L97 HydrophobicContact CD1-CD1 3.69Å; L97-V99 HydrophobicContact CD2-CG2 4.1Å; L97-V99 HydrophobicContact CG-CG2 4.07Å; L97-I115 HydrophobicContact CB-CB 4.34Å; L97-I115 HydrophobicContact CD2-CD1 4.38Å; L97-I115 PolarHBondContact N-O 3.21Å; L97-I115 PolarHBondContact O-N 3.45Å; L97-I134 HydrophobicContact CD2-CD1 4.05Å
98	K	95.9	Very high	93.1	Very high	16 Å²	16	60.7 Å²	60.7	7%	0.07	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	123.7	171.5	-64.6	-177	176.4	159.7	0	110.5	V57 K58 I60 D67 Y100 W113 I114	V57-K98 CarbonylContact C-O 3.58Å; V57-K98 WeakPolarHBondContact CA-O 3.45Å; K58-K98 HydrophobicContact CB-CB 4.35Å; K58-K98 PolarHBondContact N-O 3.22Å; K58-K98 PolarHBondContact O-N 2.82Å; I60-K98 HydrophobicContact CG1-CD 3.92Å; I60-K98 HydrophobicContact CG1-CG 4.19Å; I60-K98 HydrophobicContact CG2-CD 4.33Å; D67-K98 IonicContact OD2-NZ 3.2Å; D67-K98 PolarHBondContact OD2-NZ 2.92Å; K98-Y100 HydrophobicContact CB-CD2 4.5Å; K98-Y100 HydrophobicContact CB-CE2 3.6Å; K98-Y100 WeakPolarHBondContact CD-OH 3.32Å; K98-W113 VanDerWaalsContact CA-O 3.3Å; K98-W113 WeakPolarHBondContact CA-O 3.42Å; K98-I114 HydrophobicContact CG-CG1 4.33Å
99	V	96.1	Very high	92.7	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	122.9	178.4	-177.2	0	0	0	0	109.2	L45 V55 V57 L97 R112 W113 L139	L45-V99 HydrophobicContact CD1-CG1 3.56Å; L45-V99 HydrophobicContact CD1-CG2 4.49Å; V55-V99 HydrophobicContact CG1-CG1 3.66Å; V57-V99 HydrophobicContact CG1-CG1 4.28Å; V57-V99 HydrophobicContact CG1-CG2 4.19Å; L97-V99 HydrophobicContact CD2-CG2 4.1Å; L97-V99 HydrophobicContact CG-CG2 4.07Å; V99-R112 VanDerWaalsContact O-CA 3.28Å; V99-R112 WeakPolarHBondContact O-CA 3.46Å; V99-W113 HydrophobicContact CB-CB 4.24Å; V99-W113 PolarHBondContact N-O 3.32Å; V99-W113 VanDerWaalsContact N-O 3.08Å; V99-W113 PolarHBondContact O-N 3.36Å; V99-L139 HydrophobicContact CG1-CD2 3.93Å
100	Y	94.9	Very high	92.7	Very high	20 Å²	20	57.8 Å²	57.8	8%	0.078	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	109.6	-177.3	-54.9	-100.9	0	0	0	110.9	V55 T56 K58 K98 R111 R112 L150	V55-Y100 WeakPolarHBondContact CG1-O 3.49Å; T56-Y100 HydrophobicContact CG2-CD2 4.29Å; T56-Y100 PolarHBondContact O-N 2.73Å; K58-Y100 HydrophobicContact CB-CE2 4.04Å; K98-Y100 HydrophobicContact CB-CD2 4.5Å; K98-Y100 HydrophobicContact CB-CE2 3.6Å; K98-Y100 WeakPolarHBondContact CD-OH 3.32Å; Y100-R111 WeakPolarHBondContact CA-O 3.45Å; Y100-R112 HydrophobicContact CD1-CB 4.27Å; Y100-R112 HydrophobicContact CD1-CG 4.04Å; Y100-R112 HydrophobicContact CE1-CB 4.48Å; Y100-R112 HydrophobicContact CE1-CG 3.89Å; Y100-L150 HydrophobicContact CD1-CD1 3.55Å; Y100-L150 HydrophobicContact CD1-CG 4.34Å; Y100-L150 HydrophobicContact CE1-CD1 3.2Å; Y100-L150 HydrophobicContact CE1-CG 4Å; Y100-L150 HydrophobicContact CG-CD1 4.46Å
101	H	94.4	Very high	92.7	Very high	5 Å²	5	53.9 Å²	53.9	2%	0.023	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	169.2	-170.1	68	105.5	0	0	0	113.2	V55 C103 K110 R111 W113 L139	V55-H101 HydrophobicContact CG1-CB 3.99Å; V55-H101 HydrophobicContact CG2-CB 4.34Å; H101-C103 WeakPolarHBondContact ND1-CB 3.47Å; H101-C103 PolarHBondContact ND1-N 2.77Å; H101-K110 CarbonylContact O-C 3.55Å; H101-K110 WeakPolarHBondContact O-CA 3.21Å; H101-R111 PolarHBondContact N-O 3.22Å; H101-R111 WeakPolarHBondContact NE2-CB 3.12Å; H101-R111 PolarHBondContact O-N 3.23Å; H101-W113 AromaticContact NE2-CD1 3.73Å; H101-W113 AromaticContact NE2-CE2 3.79Å; H101-W113 AromaticContact NE2-NE1 3.39Å; H101-W113 PolarHBondContact NE2-NE1 3.19Å; H101-L139 HydrophobicContact CB-CD1 3.8Å; H101-L139 PolarHBondContact CE1-O 2.98Å
102	R	93.1	Very high	92.7	Very high	97 Å²	97	52.2 Å²	52.2	37%	0.366	25%	0.252	S	S	.	.			trans	-121.2	17.6	174.4	-68.6	-170	167.6	97.4	3.7	113.2	N104 S105 I108 K110	R102-N104 PolarHBondContact O-N 3.41Å; R102-N104 VanDerWaalsContact O-N 3.17Å; R102-S105 PolarHBondContact O-N 2.82Å; R102-I108 PolarHBondContact NH2-O 3.38Å; R102-K110 HydrophobicContact CG-CG 4.16Å
103	C	95	Very high	92.6	Very high	8 Å²	8	48.2 Å²	48.2	5%	0.054	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	124.6	178	-168.6	0	0	0	0	110.4	C47 H101 S105 R111 L139	C47-C103 WeakPolarHBondContact CA-SG 2.85Å; C47-C103 HydrophobicContact CB-CB 3.83Å; C47-C103 WeakPolarHBondContact CB-SG 3.12Å; C47-C103 WeakPolarHBondContact SG-CA 3.41Å; C47-C103 WeakPolarHBondContact SG-CB 3.47Å; C47-C103 CovalentContact SG-SG 2.04Å; C47-C103 PolarHBondContact SG-SG 3.03Å; H101-C103 WeakPolarHBondContact ND1-CB 3.47Å; H101-C103 PolarHBondContact ND1-N 2.77Å; C103-S105 PolarHBondContact O-N 2.95Å; C103-S105 VanDerWaalsContact O-N 3.15Å; C103-R111 WeakPolarHBondContact O-CD 3.34Å; C103-R111 PolarHBondContact O-NH1 3.26Å; C103-L139 HydrophobicContact CB-CB 3.57Å; C103-L139 HydrophobicContact CB-CD1 4.47Å
104	N	92	Very high	92.5	Very high	119 Å²	119	51 Å²	51	64%	0.636	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.8	30	-173.2	-64	-11.8	0	0	0	114.7	R102 E140	R102-N104 PolarHBondContact O-N 3.41Å; R102-N104 VanDerWaalsContact O-N 3.17Å; N104-E140 WeakPolarHBondContact ND2-CG 3.02Å; N104-E140 PolarHBondContact ND2-OE1 2.73Å
105	S	87.9	Confident	92.4	Very high	17 Å²	17	47.6 Å²	47.6	12%	0.119	23%	0.227	C	C	.	.			trans	-131.2	127.5	178.6	176.5	0	0	0	0	111.7	R102 C103 H107	R102-S105 PolarHBondContact O-N 2.82Å; C103-S105 PolarHBondContact O-N 2.95Å; C103-S105 VanDerWaalsContact O-N 3.15Å; S105-H107 PolarHBondContact OG-CD2 2.89Å; S105-H107 VanDerWaalsContact OG-CD2 3.31Å; S105-H107 PolarHBondContact OG-N 3.24Å
106	K	84.9	Confident	92.3	Very high	216 Å²	216	54.2 Å²	54.2	94%	0.939	26%	0.255	S	S	*	.			trans	-101.2	6.7	169.3	-62.9	-177.2	-178.9	178.9	0	112.4
107	H	84	Confident	92.3	Very high	141 Å²	141	54.3 Å²	54.3	65%	0.653	26%	0.256	S	S	*	.	S	Bend	trans	-69.8	150.8	-178	-62.4	-73.7	0	0	0	111.1	S105 C109	S105-H107 PolarHBondContact OG-CD2 2.89Å; S105-H107 VanDerWaalsContact OG-CD2 3.31Å; S105-H107 PolarHBondContact OG-N 3.24Å; H107-C109 PolarHBondContact O-N 3.29Å
108	I	85.1	Confident	92.4	Very high	123 Å²	123	56.8 Å²	56.8	63%	0.631	27%	0.272	S	S	*	.	S	Bend	trans	-57.4	-38.7	174.7	-173.5	59.5	0	0	0	110.9	R102	R102-I108 PolarHBondContact NH2-O 3.38Å
109	C	86.5	Confident	92.4	Very high	39 Å²	39	63.3 Å²	63.3	26%	0.264	30%	0.303	S	S	.	.	S	Bend	trans	-80.2	136.3	176.5	-51.8	0	0	0	0	111.5	H107 C149	H107-C109 PolarHBondContact O-N 3.29Å; C109-C149 HydrophobicContact CB-CB 3.9Å; C109-C149 WeakPolarHBondContact CB-SG 3.38Å; C109-C149 WeakPolarHBondContact SG-CB 3.21Å; C109-C149 CovalentContact SG-SG 2.03Å; C109-C149 PolarHBondContact SG-SG 3.41Å
110	K	90.5	Very high	92.5	Very high	55 Å²	55	70.9 Å²	70.9	24%	0.239	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-67.6	142.6	167.2	-63.5	-176.7	-178.7	-180	0	109.8	T56 H101 R102	T56-K110 PolarHBondContact OG1-NZ 2.81Å; H101-K110 CarbonylContact O-C 3.55Å; H101-K110 WeakPolarHBondContact O-CA 3.21Å; R102-K110 HydrophobicContact CG-CG 4.16Å
111	R	90.8	Very high	92.7	Very high	22 Å²	22	72.1 Å²	72.1	8%	0.083	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	144.9	162.8	-68.1	175.5	64.1	-168.7	-2.8	108.4	Y100 H101 C103 L139 I141 E145	Y100-R111 WeakPolarHBondContact CA-O 3.45Å; H101-R111 PolarHBondContact N-O 3.22Å; H101-R111 WeakPolarHBondContact NE2-CB 3.12Å; H101-R111 PolarHBondContact O-N 3.23Å; C103-R111 WeakPolarHBondContact O-CD 3.34Å; C103-R111 PolarHBondContact O-NH1 3.26Å; R111-L139 PolarHBondContact NH1-O 3.17Å; R111-I141 PolarHBondContact NH2-O 3.04Å; R111-E145 WeakPolarHBondContact CB-OE2 3.48Å; R111-E145 WeakPolarHBondContact CG-OE2 3.46Å; R111-E145 IonicContact CZ-OE1 3.75Å; R111-E145 IonicContact NE-OE1 2.71Å; R111-E145 PolarHBondContact NE-OE1 2.92Å; R111-E145 IonicContact NE-OE2 2.64Å; R111-E145 IonicContact NH2-OE1 2.77Å; R111-E145 PolarHBondContact NH2-OE1 2.91Å
112	R	91.5	Very high	92.8	Very high	14 Å²	14	73.1 Å²	73.1	5%	0.053	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	118.4	-178.9	-177.2	-178.6	55.1	-161.8	-16	112.1	V99 Y100 I114 D146 K148	V99-R112 VanDerWaalsContact O-CA 3.28Å; V99-R112 WeakPolarHBondContact O-CA 3.46Å; Y100-R112 HydrophobicContact CD1-CB 4.27Å; Y100-R112 HydrophobicContact CD1-CG 4.04Å; Y100-R112 HydrophobicContact CE1-CB 4.48Å; Y100-R112 HydrophobicContact CE1-CG 3.89Å; R112-I114 HydrophobicContact CG-CG1 4.47Å; R112-D146 IonicContact CZ-OD2 3.76Å; R112-D146 IonicContact NH1-OD2 3.43Å; R112-D146 PolarHBondContact NH2-O 3.14Å; R112-D146 IonicContact NH2-OD1 3.91Å; R112-D146 IonicContact NH2-OD2 2.76Å; R112-D146 PolarHBondContact NH2-OD2 2.79Å; R112-K148 VanDerWaalsContact NH2-CB 3.26Å; R112-K148 PolarHBondContact NH2-O 3.45Å
113	W	93.6	Very high	93	Very high	2 Å²	2	70.2 Å²	70.2	1%	0.008	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	148.1	166.4	-62.1	-5.1	0	0	0	110.7	K98 V99 H101 I115 V137 N138 L139 I141 L143	K98-W113 VanDerWaalsContact CA-O 3.3Å; K98-W113 WeakPolarHBondContact CA-O 3.42Å; V99-W113 HydrophobicContact CB-CB 4.24Å; V99-W113 PolarHBondContact N-O 3.32Å; V99-W113 VanDerWaalsContact N-O 3.08Å; V99-W113 PolarHBondContact O-N 3.36Å; H101-W113 AromaticContact NE2-CD1 3.73Å; H101-W113 AromaticContact NE2-CE2 3.79Å; H101-W113 AromaticContact NE2-NE1 3.39Å; H101-W113 PolarHBondContact NE2-NE1 3.19Å; W113-I115 HydrophobicContact CE3-CD1 4.29Å; W113-V137 HydrophobicContact CH2-CG1 3.87Å; W113-V137 HydrophobicContact CZ3-CG1 3.58Å; W113-N138 WeakPolarHBondContact CH2-O 3.41Å; W113-L139 HydrophobicContact CD2-CD2 4.41Å; W113-L139 HydrophobicContact CE3-CD2 4.06Å; W113-L139 HydrophobicContact CH2-CD2 3.81Å; W113-L139 HydrophobicContact CZ2-CD2 4.1Å; W113-L139 HydrophobicContact CZ3-CD2 3.75Å; W113-I141 HydrophobicContact CH2-CB 3.98Å; W113-I141 HydrophobicContact CZ2-CB 3.94Å; W113-I141 WeakPolarHBondContact CZ2-O 3.43Å; W113-L143 HydrophobicContact CB-CD1 4.33Å; W113-L143 HydrophobicContact CD2-CD1 3.7Å; W113-L143 HydrophobicContact CD2-CG 4.3Å; W113-L143 HydrophobicContact CE3-CD1 3.84Å; W113-L143 HydrophobicContact CG-CB 4.46Å; W113-L143 HydrophobicContact CG-CD1 3.95Å; W113-L143 HydrophobicContact CZ3-CD1 4.31Å
114	I	94	Very high	93	Very high	59 Å²	59	74.7 Å²	74.7	30%	0.303	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	113.9	172.5	-56.2	-179.7	0	0	0	106.3	E96 K98 R112 D146	E96-I114 HydrophobicContact CB-CG2 4.05Å; E96-I114 HydrophobicContact CG-CG2 4.08Å; E96-I114 WeakPolarHBondContact OE2-CG2 3.4Å; K98-I114 HydrophobicContact CG-CG1 4.33Å; R112-I114 HydrophobicContact CG-CG1 4.47Å; I114-D146 HydrophobicContact CD1-CB 4.13Å
115	I	95.7	Very high	93	Very high	37 Å²	37	71.6 Å²	71.6	19%	0.19	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	115.6	-178.4	-59.2	169.4	0	0	0	107.2	E96 L97 W113 V117 F132	E96-I115 CarbonylContact C-O 3.59Å; E96-I115 WeakPolarHBondContact CA-O 3.2Å; L97-I115 HydrophobicContact CB-CB 4.34Å; L97-I115 HydrophobicContact CD2-CD1 4.38Å; L97-I115 PolarHBondContact N-O 3.21Å; L97-I115 PolarHBondContact O-N 3.45Å; W113-I115 HydrophobicContact CE3-CD1 4.29Å; I115-V117 PolarHBondContact O-N 3.32Å; I115-F132 HydrophobicContact CG2-CE1 4.4Å
116	K	97	Very high	93.2	Very high	142 Å²	142	76.1 Å²	76.1	62%	0.617	38%	0.378	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.2	133.2	173.3	-68.5	-166	171.6	-158.6	0	110	E96	E96-K116 HydrophobicContact CG-CG 4.36Å
117	V	98.3	Very high	93.6	Very high	8 Å²	8	68 Å²	68	5%	0.048	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-86.9	127.2	172.1	-178.8	0	0	0	0	107.9	V39 V41 L59 P95 I115 F132	V39-V117 HydrophobicContact CG2-CG1 3.72Å; V41-V117 HydrophobicContact CG2-CG1 4.25Å; V41-V117 HydrophobicContact CG2-CG2 3.58Å; L59-V117 HydrophobicContact CD1-CG2 4.31Å; P95-V117 HydrophobicContact CB-CB 4.08Å; P95-V117 HydrophobicContact CB-CG2 4.26Å; P95-V117 HydrophobicContact CG-CB 3.95Å; P95-V117 HydrophobicContact CG-CG1 4.41Å; P95-V117 WeakPolarHBondContact O-CB 3.35Å; P95-V117 PolarHBondContact O-N 2.77Å; I115-V117 PolarHBondContact O-N 3.32Å; V117-F132 HydrophobicContact CB-CD1 4.2Å; V117-F132 HydrophobicContact CG1-CB 3.98Å; V117-F132 HydrophobicContact CG1-CD1 3.76Å; V117-F132 HydrophobicContact CG1-CG 4.12Å; V117-F132 HydrophobicContact CG2-CD1 4.05Å
118	P	98.4	Very high	94	Very high	53 Å²	53	67.4 Å²	67.4	34%	0.344	36%	0.357	S	S	.	.	P	Polyproline II helix	trans	-63	138.4	-179.4	-22.5	32.7	0	0	0	112.4	K120 Y121 F132	P118-K120 HydrophobicContact CB-CG 4.25Å; P118-K120 PolarHBondContact O-N 3.06Å; P118-Y121 HydrophobicContact CB-CD2 3.93Å; P118-Y121 HydrophobicContact CB-CE2 4.21Å; P118-Y121 HydrophobicContact CG-CD2 4.12Å; P118-Y121 HydrophobicContact CG-CE2 4.13Å; P118-Y121 WeakPolarHBondContact O-CB 3.12Å; P118-Y121 WeakPolarHBondContact O-CD2 3.3Å; P118-Y121 PolarHBondContact O-N 3.34Å; P118-F132 HydrophobicContact CG-CE2 4.33Å; P118-F132 HydrophobicContact CG-CZ 4.4Å
119	E	96.9	Very high	94.4	Very high	152 Å²	152	67 Å²	67	71%	0.71	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-55	-29.3	-175.6	-69.1	173.2	-161.5	0	0	114.2	Y121 I122	E119-Y121 PolarHBondContact O-N 3.47Å; E119-I122 HydrophobicContact CB-CD1 4.17Å; E119-I122 HydrophobicContact CG-CD1 4.19Å; E119-I122 WeakPolarHBondContact O-CB 3.47Å; E119-I122 PolarHBondContact O-N 3.31Å
120	K	97.6	Very high	94.9	Very high	159 Å²	159	66.7 Å²	66.7	69%	0.691	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-60.9	-11.4	176.2	71	176.9	-176.2	178.4	0	114.6	P118	P118-K120 HydrophobicContact CB-CG 4.25Å; P118-K120 PolarHBondContact O-N 3.06Å
121	Y	98.5	Very high	95.2	Very high	46 Å²	46	65.5 Å²	65.5	18%	0.18	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-97.9	-2.9	174.6	-66.1	-81	0	0	0	113.3	P118 E119 S130 V131 F132	P118-Y121 HydrophobicContact CB-CD2 3.93Å; P118-Y121 HydrophobicContact CB-CE2 4.21Å; P118-Y121 HydrophobicContact CG-CD2 4.12Å; P118-Y121 HydrophobicContact CG-CE2 4.13Å; P118-Y121 WeakPolarHBondContact O-CB 3.12Å; P118-Y121 WeakPolarHBondContact O-CD2 3.3Å; P118-Y121 PolarHBondContact O-N 3.34Å; E119-Y121 PolarHBondContact O-N 3.47Å; Y121-S130 WeakPolarHBondContact CD1-OG 3.17Å; Y121-V131 VanDerWaalsContact CE1-O 3.32Å; Y121-V131 WeakPolarHBondContact CE1-O 3.3Å; Y121-F132 HydrophobicContact CD1-CB 3.84Å; Y121-F132 HydrophobicContact CD2-CB 3.85Å; Y121-F132 AromaticContact CD2-CD2 4Å; Y121-F132 HydrophobicContact CD2-CD2 4Å; Y121-F132 HydrophobicContact CD2-CG 4.09Å; Y121-F132 HydrophobicContact CE1-CB 4.13Å; Y121-F132 HydrophobicContact CE1-CD2 4.48Å; Y121-F132 HydrophobicContact CE2-CB 4.13Å; Y121-F132 AromaticContact CE2-CD2 3.53Å; Y121-F132 HydrophobicContact CE2-CD2 3.53Å; Y121-F132 HydrophobicContact CE2-CE2 4.31Å; Y121-F132 HydrophobicContact CE2-CG 4.1Å; Y121-F132 HydrophobicContact CG-CB 3.71Å; Y121-F132 HydrophobicContact CG-CG 4.45Å; Y121-F132 AromaticContact CZ-CD2 3.82Å
122	I	98.2	Very high	95.6	Very high	27 Å²	27	66 Å²	66	14%	0.138	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	130.8	171.2	-57.8	164.6	0	0	0	108.1	Q37 T92 I93 P95 E119	Q37-I122 HydrophobicContact CB-CG2 4.08Å; Q37-I122 HydrophobicContact CG-CG2 4.26Å; T92-I122 HydrophobicContact CG2-CD1 3.63Å; I93-I122 HydrophobicContact CD1-CG1 4.27Å; I93-I122 HydrophobicContact CD1-CG2 3.92Å; I93-I122 HydrophobicContact CG1-CB 4.46Å; I93-I122 HydrophobicContact CG1-CD1 3.88Å; I93-I122 HydrophobicContact CG1-CG1 3.99Å; I93-I122 HydrophobicContact CG1-CG2 3.64Å; I93-I122 WeakPolarHBondContact O-CD1 3.37Å; P95-I122 HydrophobicContact CG-CD1 4.05Å; P95-I122 HydrophobicContact CG-CG1 3.91Å; E119-I122 HydrophobicContact CB-CD1 4.17Å; E119-I122 HydrophobicContact CG-CD1 4.19Å; E119-I122 WeakPolarHBondContact O-CB 3.47Å; E119-I122 PolarHBondContact O-N 3.31Å
123	Q	97.2	Very high	96	Very high	36 Å²	36	69.2 Å²	69.2	17%	0.168	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	160.7	-173.1	-55.6	-170.2	-50	0	0	111.9	Q37 R38 A127 T128 S130	Q37-Q123 CarbonylContact C-O 3.57Å; Q37-Q123 WeakPolarHBondContact CA-O 3.26Å; R38-Q123 PolarHBondContact N-O 3.45Å; R38-Q123 PolarHBondContact O-N 2.85Å; Q123-A127 HydrophobicContact CB-CB 4.17Å; Q123-T128 VanDerWaalsContact CD-O 3.31Å; Q123-T128 PolarHBondContact NE2-O 3.28Å; Q123-T128 PolarHBondContact OE1-O 3.46Å; Q123-T128 VanDerWaalsContact OE1-O 3.1Å; Q123-S130 VanDerWaalsContact CD-CB 3.46Å
124	L	95.1	Very high	96.2	Very high	101 Å²	101	70.7 Å²	70.7	53%	0.529	38%	0.377	S	S	.	.			trans	-67.9	143.7	160.2	-65.2	174.8	0	0	0	109	S126 A127	L124-S126 PolarHBondContact O-N 3.23Å; L124-A127 HydrophobicContact CB-CB 4.45Å; L124-A127 VanDerWaalsContact O-CB 3.29Å; L124-A127 WeakPolarHBondContact O-CB 3.09Å; L124-A127 PolarHBondContact O-N 3.01Å
125	P	92	Very high	96.4	Very high	55 Å²	55	69.3 Å²	69.3	36%	0.357	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-26.4	178.8	-28.1	33.5	0	0	0	114.8	K36 R38	K36-P125 HydrophobicContact CB-CG 4.23Å; K36-P125 HydrophobicContact CD-CG 3.98Å; K36-P125 HydrophobicContact CG-CG 3.72Å; K36-P125 WeakPolarHBondContact O-CD 3.25Å; R38-P125 HydrophobicContact CB-CG 4.41Å
126	S	91.9	Very high	96.5	Very high	112 Å²	112	71.2 Å²	71.2	78%	0.783	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	-4.3	178.9	55.6	0	0	0	0	114.7	L124	L124-S126 PolarHBondContact O-N 3.23Å
127	A	92.1	Very high	96.6	Very high	45 Å²	45	65.8 Å²	65.8	37%	0.372	38%	0.377	S	S	.	.	S	Bend	trans	-74.3	163.4	-178.9	0	0	0	0	0	112	Q123 L124 E129	Q123-A127 HydrophobicContact CB-CB 4.17Å; L124-A127 HydrophobicContact CB-CB 4.45Å; L124-A127 VanDerWaalsContact O-CB 3.29Å; L124-A127 WeakPolarHBondContact O-CB 3.09Å; L124-A127 PolarHBondContact O-N 3.01Å; A127-E129 PolarHBondContact O-N 2.9Å
128	T	93.1	Very high	96.5	Very high	129 Å²	129	67.7 Å²	67.7	79%	0.791	39%	0.387	S	S	*	.	P	Polyproline II helix	trans	-57	131.7	168.5	-56.2	0	0	0	0	110.1	Q123 S130	Q123-T128 VanDerWaalsContact CD-O 3.31Å; Q123-T128 PolarHBondContact NE2-O 3.28Å; Q123-T128 PolarHBondContact OE1-O 3.46Å; Q123-T128 VanDerWaalsContact OE1-O 3.1Å; T128-S130 PolarHBondContact O-N 3.45Å
129	E	92.9	Very high	96.5	Very high	113 Å²	113	65.2 Å²	65.2	53%	0.528	37%	0.371	S	S	.	.	P	Polyproline II helix	trans	-54.7	124.9	-178.5	169.7	164.2	-139	0	0	112.7	Q40 A127 V131	Q40-E129 PolarHBondContact NE2-OE1 2.92Å; Q40-E129 PolarHBondContact OE1-OE1 3.13Å; A127-E129 PolarHBondContact O-N 2.9Å; E129-V131 HydrophobicContact CG-CG2 3.75Å; E129-V131 WeakPolarHBondContact OE1-CG2 3.29Å
130	S	97	Very high	96.4	Very high	33 Å²	33	61.7 Å²	61.7	23%	0.231	35%	0.354	C	S	.	.			trans	-122.6	130.9	163.8	-173.8	0	0	0	0	108.8	Y121 Q123 T128	Y121-S130 WeakPolarHBondContact CD1-OG 3.17Å; Q123-S130 VanDerWaalsContact CD-CB 3.46Å; T128-S130 PolarHBondContact O-N 3.45Å
131	V	98.6	Very high	96.2	Very high	30 Å²	30	58 Å²	58	18%	0.182	34%	0.341	C	S	.	.			trans	-121.2	126.9	-178.9	-173.7	0	0	0	0	108.5	Q40 K42 Y121 E129 D133	Q40-V131 HydrophobicContact CB-CB 4.29Å; Q40-V131 HydrophobicContact CB-CG1 4.03Å; Q40-V131 HydrophobicContact CB-CG2 3.97Å; K42-V131 HydrophobicContact CB-CG1 4.03Å; K42-V131 HydrophobicContact CD-CG1 3.89Å; K42-V131 HydrophobicContact CG-CG1 3.71Å; Y121-V131 VanDerWaalsContact CE1-O 3.32Å; Y121-V131 WeakPolarHBondContact CE1-O 3.3Å; E129-V131 HydrophobicContact CG-CG2 3.75Å; E129-V131 WeakPolarHBondContact OE1-CG2 3.29Å; V131-D133 PolarHBondContact O-N 2.98Å; V131-D133 VanDerWaalsContact O-N 3.16Å
132	F	98.7	Very high	95.6	Very high	34 Å²	34	63.2 Å²	63.2	15%	0.149	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	103	169.8	180	-138.2	0	0	0	109.3	Q40 V41 K42 I115 V117 P118 Y121 I134	Q40-F132 PolarHBondContact O-N 2.99Å; V41-F132 CarbonylContact C-O 3.54Å; V41-F132 VanDerWaalsContact CA-O 3.3Å; V41-F132 WeakPolarHBondContact CA-O 3.49Å; V41-F132 HydrophobicContact CG1-CD1 4Å; V41-F132 WeakPolarHBondContact CG1-O 3.32Å; V41-F132 HydrophobicContact CG2-CB 4.4Å; V41-F132 HydrophobicContact CG2-CD1 4.37Å; K42-F132 PolarHBondContact N-O 2.79Å; I115-F132 HydrophobicContact CG2-CE1 4.4Å; V117-F132 HydrophobicContact CB-CD1 4.2Å; V117-F132 HydrophobicContact CG1-CB 3.98Å; V117-F132 HydrophobicContact CG1-CD1 3.76Å; V117-F132 HydrophobicContact CG1-CG 4.12Å; V117-F132 HydrophobicContact CG2-CD1 4.05Å; P118-F132 HydrophobicContact CG-CE2 4.33Å; P118-F132 HydrophobicContact CG-CZ 4.4Å; Y121-F132 HydrophobicContact CD1-CB 3.84Å; Y121-F132 HydrophobicContact CD2-CB 3.85Å; Y121-F132 AromaticContact CD2-CD2 4Å; Y121-F132 HydrophobicContact CD2-CD2 4Å; Y121-F132 HydrophobicContact CD2-CG 4.09Å; Y121-F132 HydrophobicContact CE1-CB 4.13Å; Y121-F132 HydrophobicContact CE1-CD2 4.48Å; Y121-F132 HydrophobicContact CE2-CB 4.13Å; Y121-F132 AromaticContact CE2-CD2 3.53Å; Y121-F132 HydrophobicContact CE2-CD2 3.53Å; Y121-F132 HydrophobicContact CE2-CE2 4.31Å; Y121-F132 HydrophobicContact CE2-CG 4.1Å; Y121-F132 HydrophobicContact CG-CB 3.71Å; Y121-F132 HydrophobicContact CG-CG 4.45Å; Y121-F132 AromaticContact CZ-CD2 3.82Å; F132-I134 HydrophobicContact CD1-CG2 4.02Å; F132-I134 HydrophobicContact CE1-CG2 3.6Å; F132-I134 HydrophobicContact CE2-CG2 4.5Å; F132-I134 HydrophobicContact CZ-CG2 3.87Å
133	D	98.7	Very high	94.8	Very high	80 Å²	80	65.7 Å²	65.7	43%	0.428	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	113.2	175.3	-165.7	-14.2	0	0	0	109.9	K42 V131 G135	K42-D133 VanDerWaalsContact CE-CG 3.44Å; K42-D133 WeakPolarHBondContact CE-OD2 3.24Å; K42-D133 HydrophobicContact CG-CB 4.05Å; K42-D133 IonicContact NZ-OD2 3.57Å; K42-D133 WeakPolarHBondContact O-CA 3.21Å; V131-D133 PolarHBondContact O-N 2.98Å; V131-D133 VanDerWaalsContact O-N 3.16Å; D133-G135 PolarHBondContact O-N 3.38Å; D133-G135 WeakPolarHBondContact OD1-CA 3.44Å; D133-G135 PolarHBondContact OD1-N 2.87Å
134	I	98.1	Very high	94	Very high	33 Å²	33	73.7 Å²	73.7	17%	0.169	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	-5.2	175.4	71	164.7	0	0	0	112.6	V41 K42 L45 F81 L97 F132 V137	V41-I134 HydrophobicContact CG1-CG2 4.17Å; K42-I134 PolarHBondContact O-N 2.92Å; L45-I134 HydrophobicContact CD2-CD1 4.33Å; F81-I134 HydrophobicContact CE1-CD1 3.99Å; F81-I134 HydrophobicContact CE1-CG1 4.45Å; F81-I134 HydrophobicContact CZ-CD1 3.65Å; F81-I134 HydrophobicContact CZ-CG1 4.02Å; L97-I134 HydrophobicContact CD2-CD1 4.05Å; F132-I134 HydrophobicContact CD1-CG2 4.02Å; F132-I134 HydrophobicContact CE1-CG2 3.6Å; F132-I134 HydrophobicContact CE2-CG2 4.5Å; F132-I134 HydrophobicContact CZ-CG2 3.87Å; I134-V137 HydrophobicContact CB-CG2 4.5Å; I134-V137 HydrophobicContact CD1-CG2 3.91Å; I134-V137 HydrophobicContact CG1-CG2 4.15Å; I134-V137 WeakPolarHBondContact O-CG2 3.4Å
135	G	98.4	Very high	92.9	Very high	31 Å²	31	71.9 Å²	71.9	32%	0.32	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	72.1	-147.8	-177.2	0	0	0	0	0	113.3	G43 R44 D133	G43-G135 CarbonylContact C-O 3.53Å; G43-G135 WeakPolarHBondContact CA-O 3.41Å; R44-G135 PolarHBondContact N-O 3.24Å; D133-G135 PolarHBondContact O-N 3.38Å; D133-G135 WeakPolarHBondContact OD1-CA 3.44Å; D133-G135 PolarHBondContact OD1-N 2.87Å
136	A	98.4	Very high	91.9	Very high	76 Å²	76	73.3 Å²	73.3	63%	0.628	41%	0.408	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.1	121.5	175.6	0	0	0	0	0	110.1	R44 F46	R44-A136 CarbonylContact O-C 3.59Å; R44-A136 WeakPolarHBondContact O-CA 3.44Å; F46-A136 HydrophobicContact CD2-CB 4.37Å; F46-A136 HydrophobicContact CE2-CB 3.81Å
137	V	97.8	Very high	90.8	Very high	28 Å²	28	77.8 Å²	77.8	17%	0.17	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	129.9	-175	-167.6	0	0	0	0	110.7	R44 L45 F46 W113 I134 I141	R44-V137 PolarHBondContact O-N 2.99Å; L45-V137 WeakPolarHBondContact CA-O 3.29Å; L45-V137 HydrophobicContact CD2-CB 4.23Å; F46-V137 PolarHBondContact N-O 3.46Å; W113-V137 HydrophobicContact CH2-CG1 3.87Å; W113-V137 HydrophobicContact CZ3-CG1 3.58Å; I134-V137 HydrophobicContact CB-CG2 4.5Å; I134-V137 HydrophobicContact CD1-CG2 3.91Å; I134-V137 HydrophobicContact CG1-CG2 4.15Å; I134-V137 WeakPolarHBondContact O-CG2 3.4Å; V137-I141 HydrophobicContact CG1-CD1 4.05Å
138	N	97.9	Very high	89.8	Confident	49 Å²	49	82.7 Å²	82.7	26%	0.262	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	120.6	176	-174.1	-15.1	0	0	0	110.5	F46 G48 W113 E140 I141	F46-N138 HydrophobicContact CB-CB 4.44Å; G48-N138 PolarHBondContact N-OD1 3.36Å; W113-N138 WeakPolarHBondContact CH2-O 3.41Å; N138-E140 PolarHBondContact ND2-OE2 2.87Å; N138-E140 PolarHBondContact O-N 3.28Å; N138-E140 VanDerWaalsContact O-N 3.09Å; N138-E140 WeakPolarHBondContact OD1-CB 3.37Å; N138-E140 VanDerWaalsContact OD1-CG 3.26Å; N138-E140 WeakPolarHBondContact OD1-CG 3.27Å; N138-E140 PolarHBondContact OD1-N 3.49Å; N138-I141 WeakPolarHBondContact O-CD1 2.96Å; N138-I141 VanDerWaalsContact O-CG1 3.25Å; N138-I141 WeakPolarHBondContact O-CG1 3.29Å; N138-I141 PolarHBondContact O-N 3.1Å; N138-I141 VanDerWaalsContact O-N 3.12Å
139	L	97.3	Very high	88.9	Confident	1 Å²	1	78.9 Å²	78.9	1%	0.005	40%	0.404	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-3.5	-179	-65.4	173.3	0	0	0	114.5	L45 F46 A52 V55 V99 H101 C103 R111 W113	L45-L139 HydrophobicContact CB-CD1 4.17Å; L45-L139 HydrophobicContact CB-CG 4.32Å; L45-L139 HydrophobicContact CD1-CD1 4.45Å; L45-L139 HydrophobicContact CD1-CD2 4.26Å; L45-L139 HydrophobicContact CD2-CD2 4.23Å; F46-L139 WeakPolarHBondContact O-CB 3.17Å; F46-L139 VanDerWaalsContact O-CG 3.25Å; F46-L139 WeakPolarHBondContact O-CG 3.46Å; F46-L139 PolarHBondContact O-N 2.93Å; A52-L139 HydrophobicContact CB-CD1 3.62Å; V55-L139 HydrophobicContact CG2-CD1 4.07Å; V99-L139 HydrophobicContact CG1-CD2 3.93Å; H101-L139 HydrophobicContact CB-CD1 3.8Å; H101-L139 PolarHBondContact CE1-O 2.98Å; C103-L139 HydrophobicContact CB-CB 3.57Å; C103-L139 HydrophobicContact CB-CD1 4.47Å; R111-L139 PolarHBondContact NH1-O 3.17Å; W113-L139 HydrophobicContact CD2-CD2 4.41Å; W113-L139 HydrophobicContact CE3-CD2 4.06Å; W113-L139 HydrophobicContact CH2-CD2 3.81Å; W113-L139 HydrophobicContact CZ2-CD2 4.1Å; W113-L139 HydrophobicContact CZ3-CD2 3.75Å
140	E	95.6	Very high	87.4	Confident	77 Å²	77	77.2 Å²	77.2	36%	0.36	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-19.7	168.6	-65.4	-175.8	126.7	0	0	112.8	G48 N104 N138 H142	G48-E140 WeakPolarHBondContact CA-OE2 3.36Å; N104-E140 WeakPolarHBondContact ND2-CG 3.02Å; N104-E140 PolarHBondContact ND2-OE1 2.73Å; N138-E140 PolarHBondContact ND2-OE2 2.87Å; N138-E140 PolarHBondContact O-N 3.28Å; N138-E140 VanDerWaalsContact O-N 3.09Å; N138-E140 WeakPolarHBondContact OD1-CB 3.37Å; N138-E140 VanDerWaalsContact OD1-CG 3.26Å; N138-E140 WeakPolarHBondContact OD1-CG 3.27Å; N138-E140 PolarHBondContact OD1-N 3.49Å; E140-H142 PolarHBondContact O-CD2 2.92Å; E140-H142 PolarHBondContact O-N 2.91Å
141	I	93.8	Very high	85.3	Confident	82 Å²	82	80 Å²	80	42%	0.421	42%	0.416	S	S	.	.	S	Bend	trans	-56.6	136.9	174.7	-64.1	166.5	0	0	0	109.6	R111 W113 V137 N138 L143	R111-I141 PolarHBondContact NH2-O 3.04Å; W113-I141 HydrophobicContact CH2-CB 3.98Å; W113-I141 HydrophobicContact CZ2-CB 3.94Å; W113-I141 WeakPolarHBondContact CZ2-O 3.43Å; V137-I141 HydrophobicContact CG1-CD1 4.05Å; N138-I141 WeakPolarHBondContact O-CD1 2.96Å; N138-I141 VanDerWaalsContact O-CG1 3.25Å; N138-I141 WeakPolarHBondContact O-CG1 3.29Å; N138-I141 PolarHBondContact O-N 3.1Å; N138-I141 VanDerWaalsContact O-N 3.12Å; I141-L143 HydrophobicContact CG2-CD2 3.8Å; I141-L143 HydrophobicContact CG2-CG 3.99Å
142	H	85.1	Confident	82.9	Confident	156 Å²	156	86.4 Å²	86.4	72%	0.722	46%	0.455	S	S	*	.			trans	-96.2	95	170.9	-77.6	-91.4	0	0	0	109.2	E140	E140-H142 PolarHBondContact O-CD2 2.92Å; E140-H142 PolarHBondContact O-N 2.91Å
143	L	82.2	Confident	82.2	Confident	78 Å²	78	89.1 Å²	89.1	41%	0.408	47%	0.47	S	S	.	.			trans	-82.9	167.4	164.1	-60.6	-177.9	0	0	0	109.5	W113 I141 E145	W113-L143 HydrophobicContact CB-CD1 4.33Å; W113-L143 HydrophobicContact CD2-CD1 3.7Å; W113-L143 HydrophobicContact CD2-CG 4.3Å; W113-L143 HydrophobicContact CE3-CD1 3.84Å; W113-L143 HydrophobicContact CG-CB 4.46Å; W113-L143 HydrophobicContact CG-CD1 3.95Å; W113-L143 HydrophobicContact CZ3-CD1 4.31Å; I141-L143 HydrophobicContact CG2-CD2 3.8Å; I141-L143 HydrophobicContact CG2-CG 3.99Å; L143-E145 PolarHBondContact O-N 2.99Å; L143-E145 VanDerWaalsContact O-N 3.1Å
144	K	79.1	Confident	81.3	Confident	205 Å²	205	89.5 Å²	89.5	89%	0.891	47%	0.472	S	S	*	.			trans	-65.8	112.3	170.2	-173.4	178.2	179.7	-179.1	0	108.6
145	E	72.6	Confident	80.4	Confident	62 Å²	62	92.7 Å²	92.7	29%	0.29	49%	0.489	S	S	.	.			trans	-97.5	139.8	-179	-63.6	179.2	-169.3	0	0	110.7	R111 L143	R111-E145 WeakPolarHBondContact CB-OE2 3.48Å; R111-E145 WeakPolarHBondContact CG-OE2 3.46Å; R111-E145 IonicContact CZ-OE1 3.75Å; R111-E145 IonicContact NE-OE1 2.71Å; R111-E145 PolarHBondContact NE-OE1 2.92Å; R111-E145 IonicContact NE-OE2 2.64Å; R111-E145 IonicContact NH2-OE1 2.77Å; R111-E145 PolarHBondContact NH2-OE1 2.91Å; L143-E145 PolarHBondContact O-N 2.99Å; L143-E145 VanDerWaalsContact O-N 3.1Å
146	D	71.5	Confident	79.3	Confident	86 Å²	86	96.3 Å²	96.3	46%	0.46	50%	0.499	S	S	.	.			trans	-85	134.7	171.5	174	20.8	0	0	0	110.2	R112 I114 K148	R112-D146 IonicContact CZ-OD2 3.76Å; R112-D146 IonicContact NH1-OD2 3.43Å; R112-D146 PolarHBondContact NH2-O 3.14Å; R112-D146 IonicContact NH2-OD1 3.91Å; R112-D146 IonicContact NH2-OD2 2.76Å; R112-D146 PolarHBondContact NH2-OD2 2.79Å; I114-D146 HydrophobicContact CD1-CB 4.13Å; D146-K148 VanDerWaalsContact C-N 3.27Å; D146-K148 PolarHBondContact O-N 3.22Å
147	K	67.2	Low	78.1	Confident	205 Å²	205	97.6 Å²	97.6	89%	0.891	49%	0.491	S	S	*	.			trans	-72.9	-5.7	-171.1	-62.3	-177	-179.9	-179.8	0	115	C149	K147-C149 PolarHBondContact O-N 3.06Å
148	K	71.9	Confident	76.8	Confident	148 Å²	148	102.2 Å²	102.2	64%	0.643	51%	0.513	S	S	*	.			trans	-63.5	111.4	179.4	-166.8	177.5	-178.8	173	0	110.4	R112 D146	R112-K148 VanDerWaalsContact NH2-CB 3.26Å; R112-K148 PolarHBondContact NH2-O 3.45Å; D146-K148 VanDerWaalsContact C-N 3.27Å; D146-K148 PolarHBondContact O-N 3.22Å
149	C	74.1	Confident	75.3	Confident	49 Å²	49	106 Å²	106	33%	0.331	53%	0.531	S	S	.	.			trans	-72	127.2	177.9	-170.7	0	0	0	0	110.6	C109 K147 P151	C109-C149 HydrophobicContact CB-CB 3.9Å; C109-C149 WeakPolarHBondContact CB-SG 3.38Å; C109-C149 WeakPolarHBondContact SG-CB 3.21Å; C109-C149 CovalentContact SG-SG 2.03Å; C109-C149 PolarHBondContact SG-SG 3.41Å; K147-C149 PolarHBondContact O-N 3.06Å; C149-P151 WeakPolarHBondContact O-CD 3.47Å
150	L	60.8	Low	73.6	Confident	79 Å²	79	114.1 Å²	114.1	41%	0.414	57%	0.571	S	S	.	*			trans	-94.8	104	153.1	-67.6	-174.4	0	0	0	107.3	Y100	Y100-L150 HydrophobicContact CD1-CD1 3.55Å; Y100-L150 HydrophobicContact CD1-CG 4.34Å; Y100-L150 HydrophobicContact CE1-CD1 3.2Å; Y100-L150 HydrophobicContact CE1-CG 4Å; Y100-L150 HydrophobicContact CG-CD1 4.46Å
151	P	53.2	Low	71.7	Confident	92 Å²	92	117.2 Å²	117.2	60%	0.597	59%	0.589	S	S	*	*			trans	-61.4	153	162.4	26.1	-29.8	0	0	0	109.4	C149	C149-P151 WeakPolarHBondContact O-CD 3.47Å
152	V	49.5	Very low	69.7	Low	164 Å²	164	120.4 Å²	120.4	99%	0.994	60%	0.604	S	S	*	*			trans	-52.2	0	-177.1	177.2	0	0	0	0	111.4

Retrieved 152 of 152 residues in 179.9 ms (Link to these results)

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