A0A5K4F954_SCHMA Loading...

threonine--tRNA ligase AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4F954, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 121 aa.

						>A0A5K4F954_SCHMA|A0A5K4F954
ASNHQCGLAVALNEKSLPPPPEFIKHREELWNKLKREYDGFVASQPRSPVQITLPDGTIVDGKAWETTPMEVAKNISKTLAEHAVIAKVNGELWDLLRPFEKNSSLEIYNFDHKDGRLFSV
					

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

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	A	43.9	Very low	53.4	Low	156 Å²	156	125.9 Å²	125.9	100%	1.289	80%	0.798	S	S	*	*				0	92	0	0	0	0	0	0	107.9
2	S	49.9	Very low	53.9	Low	109 Å²	109	127.2 Å²	127.2	76%	0.762	79%	0.793	S	S	*	*			trans	-104.8	105.4	-178.6	41.6	0	0	0	0	108.6	H4	S2-H4 PolarHBondContact O-N 3Å; S2-H4 VanDerWaalsContact O-N 3.12Å
3	N	54.5	Low	54.8	Low	163 Å²	163	124.4 Å²	124.4	87%	0.872	77%	0.769	S	S	*	*			trans	-60.9	106.6	171.6	-81.5	-18	0	0	0	109.3	Q5	N3-Q5 VanDerWaalsContact C-N 3.34Å; N3-Q5 PolarHBondContact O-N 2.66Å
4	H	53.9	Low	55.8	Low	185 Å²	185	127.8 Å²	127.8	86%	0.856	77%	0.772	S	S	*	*			trans	-71.9	94.2	162.3	-93.6	-67.3	0	0	0	108.5	S2 C6	S2-H4 PolarHBondContact O-N 3Å; S2-H4 VanDerWaalsContact O-N 3.12Å; H4-C6 PolarHBondContact O-N 3.21Å
5	Q	57.4	Low	56.6	Low	185 Å²	185	132.1 Å²	132.1	86%	0.864	78%	0.776	S	S	*	*			trans	-69.2	115.6	166.9	-158.2	153.4	6.8	0	0	107.6	N3 G7	N3-Q5 VanDerWaalsContact C-N 3.34Å; N3-Q5 PolarHBondContact O-N 2.66Å; Q5-G7 PolarHBondContact O-N 3.12Å
6	C	51.5	Low	57.7	Low	99 Å²	99	128.9 Å²	128.9	67%	0.669	76%	0.763	S	S	*	*			trans	-59.8	119	-177.2	-175.6	0	0	0	0	110.5	H4 L8	H4-C6 PolarHBondContact O-N 3.21Å; C6-L8 PolarHBondContact O-N 3.47Å
7	G	54.9	Low	58.9	Low	61 Å²	61	127.2 Å²	127.2	63%	0.629	75%	0.749	S	S	*	*	G	3₁₀ helix	trans	-69	9.4	-176.3	0	0	0	0	0	115.8	Q5 A9	Q5-G7 PolarHBondContact O-N 3.12Å; G7-A9 VanDerWaalsContact C-N 3.27Å; G7-A9 PolarHBondContact O-N 3.07Å
8	L	57	Low	60.3	Low	134 Å²	134	126.2 Å²	126.2	70%	0.702	75%	0.746	S	S	*	*	G	3₁₀ helix	trans	-70.2	-24.7	179.6	-145.1	75.8	0	0	0	112.6	C6 V10 A11	C6-L8 PolarHBondContact O-N 3.47Å; L8-V10 PolarHBondContact O-N 3.26Å; L8-A11 PolarHBondContact O-N 3.38Å
9	A	53.6	Low	61.6	Low	94 Å²	94	125.6 Å²	125.6	78%	0.777	75%	0.746	S	S	*	*	G	3₁₀ helix	trans	-71.4	-12.6	-178.6	0	0	0	0	0	114.2	G7	G7-A9 VanDerWaalsContact C-N 3.27Å; G7-A9 PolarHBondContact O-N 3.07Å
10	V	53.3	Low	62.9	Low	131 Å²	131	124.4 Å²	124.4	79%	0.794	74%	0.742	S	S	*	*	G	3₁₀ helix	trans	-91.8	-14.5	-177.8	-176.8	0	0	0	0	112.4	L8	L8-V10 PolarHBondContact O-N 3.26Å
11	A	57.6	Low	64.3	Low	68 Å²	68	121.6 Å²	121.6	56%	0.562	73%	0.727	S	S	*	*	S	Bend	trans	-91.7	-1.9	-172.9	0	0	0	0	0	115.4	L8	L8-A11 PolarHBondContact O-N 3.38Å
12	L	59.4	Low	66.5	Low	141 Å²	141	122.4 Å²	122.4	74%	0.738	70%	0.704	S	S	*	*			trans	-119.2	58.2	-175.3	-60.3	176.8	0	0	0	111.7
13	N	65.8	Low	68.6	Low	91 Å²	91	123 Å²	123	49%	0.487	69%	0.693	S	S	.	*			trans	-85.3	114.8	160.4	-179.6	35.7	0	0	0	107.1	K15 S16	N13-K15 PolarHBondContact O-N 3.17Å; N13-S16 PolarHBondContact O-N 2.77Å; N13-S16 PolarHBondContact O-OG 3.35Å
14	E	68.8	Low	70.5	Confident	172 Å²	172	118.4 Å²	118.4	80%	0.804	67%	0.668	S	S	*	*	G	3₁₀ helix	trans	-52.3	-31.1	-178.8	-68.1	-174.4	161.7	0	0	112.4	S16 L17	E14-S16 VanDerWaalsContact C-N 3.28Å; E14-S16 PolarHBondContact O-N 2.93Å; E14-L17 PolarHBondContact O-N 3.26Å
15	K	67.6	Low	72.4	Confident	192 Å²	192	116 Å²	116	84%	0.835	66%	0.655	S	S	*	*	G	3₁₀ helix	trans	-69.6	-17.5	177.5	-62.1	-176.9	178.3	-179.7	0	114.7	N13	N13-K15 PolarHBondContact O-N 3.17Å
16	S	73.5	Confident	74.1	Confident	81 Å²	81	112.2 Å²	112.2	57%	0.566	64%	0.637	S	S	*	*	G	3₁₀ helix	trans	-98.3	0.6	178.1	59.4	0	0	0	0	113.7	N13 E14	N13-S16 PolarHBondContact O-N 2.77Å; N13-S16 PolarHBondContact O-OG 3.35Å; E14-S16 VanDerWaalsContact C-N 3.28Å; E14-S16 PolarHBondContact O-N 2.93Å
17	L	79.5	Confident	76.3	Confident	101 Å²	101	115.8 Å²	115.8	53%	0.529	64%	0.637	S	S	.	*	S	Bend	trans	-74.9	142.8	175.5	-63.9	174.5	0	0	0	110.1	E14	E14-L17 PolarHBondContact O-N 3.26Å
18	P	83.3	Confident	78.2	Confident	108 Å²	108	118.2 Å²	118.2	70%	0.701	63%	0.632	S	S	*	*	P	Polyproline II helix	trans	-58.3	150.6	170.2	27	-34.1	0	0	0	109.9
19	P	85.8	Confident	80.1	Confident	115 Å²	115	116.8 Å²	116.8	75%	0.747	62%	0.622	S	S	*	*	P	Polyproline II helix	trans	-56.2	142.5	175.5	25.3	-33.8	0	0	0	109.9
20	P	87.3	Confident	82.2	Confident	102 Å²	102	116 Å²	116	66%	0.662	60%	0.604	S	S	*	*	P	Polyproline II helix	trans	-55.7	141.2	176.6	-24.3	33.2	0	0	0	111	I24	P20-I24 HydrophobicContact CB-CD1 4.19Å
21	P	92.4	Very high	84.3	Confident	66 Å²	66	118 Å²	118	43%	0.429	60%	0.597	S	S	.	*	P	Polyproline II helix	trans	-56.4	142.5	174.4	-26	33.9	0	0	0	112.6	F23 I24	P21-F23 HydrophobicContact CB-CD1 3.44Å; P21-F23 VanDerWaalsContact CB-CD1 3.44Å; P21-F23 HydrophobicContact CB-CE1 3.12Å; P21-F23 HydrophobicContact CB-CE2 4.32Å; P21-F23 HydrophobicContact CB-CG 4.19Å; P21-F23 HydrophobicContact CB-CZ 3.61Å; P21-F23 HydrophobicContact CG-CD1 4.46Å; P21-F23 HydrophobicContact CG-CE1 3.68Å; P21-F23 HydrophobicContact CG-CZ 3.81Å; P21-F23 PolarHBondContact O-N 3.17Å; P21-F23 VanDerWaalsContact O-N 3.13Å; P21-I24 WeakPolarHBondContact O-CB 3.25Å; P21-I24 PolarHBondContact O-N 2.75Å
22	E	90.1	Very high	86.2	Confident	173 Å²	173	118.9 Å²	118.9	81%	0.808	59%	0.593	S	S	*	*	H	α-helix	trans	-56.9	-32.5	-177.8	-170.1	-176.5	-178.5	0	0	113.2	I24 K25 H26	E22-I24 PolarHBondContact O-N 3.19Å; E22-I24 VanDerWaalsContact O-N 3.11Å; E22-K25 PolarHBondContact O-N 3.49Å; E22-H26 PolarHBondContact O-N 3.43Å
23	F	94.6	Very high	88	Confident	121 Å²	121	117.7 Å²	117.7	53%	0.531	58%	0.581	S	S	.	*	H	α-helix	trans	-60.7	-23.8	179.8	67.2	-108.6	0	0	0	113.3	P21 R27	P21-F23 HydrophobicContact CB-CD1 3.44Å; P21-F23 VanDerWaalsContact CB-CD1 3.44Å; P21-F23 HydrophobicContact CB-CE1 3.12Å; P21-F23 HydrophobicContact CB-CE2 4.32Å; P21-F23 HydrophobicContact CB-CG 4.19Å; P21-F23 HydrophobicContact CB-CZ 3.61Å; P21-F23 HydrophobicContact CG-CD1 4.46Å; P21-F23 HydrophobicContact CG-CE1 3.68Å; P21-F23 HydrophobicContact CG-CZ 3.81Å; P21-F23 PolarHBondContact O-N 3.17Å; P21-F23 VanDerWaalsContact O-N 3.13Å; F23-R27 VanDerWaalsContact O-CB 3.26Å; F23-R27 WeakPolarHBondContact O-CB 3.18Å; F23-R27 WeakPolarHBondContact O-CG 3.15Å; F23-R27 PolarHBondContact O-N 3Å
24	I	93.3	Very high	89.5	Confident	67 Å²	67	118.4 Å²	118.4	34%	0.344	58%	0.584	S	S	.	*	H	α-helix	trans	-64.6	-54.5	178.6	-64.7	-178.1	0	0	0	109.1	P20 P21 E22 H26 R27 E28	P20-I24 HydrophobicContact CB-CD1 4.19Å; P21-I24 WeakPolarHBondContact O-CB 3.25Å; P21-I24 PolarHBondContact O-N 2.75Å; E22-I24 PolarHBondContact O-N 3.19Å; E22-I24 VanDerWaalsContact O-N 3.11Å; I24-H26 VanDerWaalsContact C-N 3.33Å; I24-H26 PolarHBondContact O-N 2.9Å; I24-R27 PolarHBondContact O-N 2.97Å; I24-E28 WeakPolarHBondContact O-CG 3.3Å; I24-E28 PolarHBondContact O-N 3.25Å
25	K	92.8	Very high	90.8	Very high	134 Å²	134	114.2 Å²	114.2	58%	0.583	56%	0.564	S	S	*	*	H	α-helix	trans	-59.7	-44.9	178.4	-173.4	-175.5	178.2	-165.2	0	111.5	E22 R27 E28 E29	E22-K25 PolarHBondContact O-N 3.49Å; K25-R27 VanDerWaalsContact C-N 3.34Å; K25-R27 PolarHBondContact O-N 3.47Å; K25-E28 PolarHBondContact O-N 2.99Å; K25-E29 WeakPolarHBondContact CE-OE1 3.36Å; K25-E29 IonicContact NZ-OE1 3.92Å; K25-E29 WeakPolarHBondContact O-CG 3.41Å; K25-E29 PolarHBondContact O-N 3.39Å
26	H	94.2	Very high	92.2	Very high	105 Å²	105	113.5 Å²	113.5	49%	0.486	56%	0.556	S	S	.	*	H	α-helix	trans	-59.8	-44	177.9	-179.8	57.8	0	0	0	112.2	E22 I24 E29 L30	E22-H26 PolarHBondContact O-N 3.43Å; I24-H26 VanDerWaalsContact C-N 3.33Å; I24-H26 PolarHBondContact O-N 2.9Å; H26-E29 PolarHBondContact O-N 2.88Å; H26-L30 WeakPolarHBondContact NE2-CD1 3.42Å; H26-L30 WeakPolarHBondContact O-CG 3.34Å; H26-L30 PolarHBondContact O-N 3.23Å
27	R	96.7	Very high	93.4	Very high	175 Å²	175	114.9 Å²	114.9	66%	0.66	55%	0.553	S	S	*	*	H	α-helix	trans	-66.5	-38	177.1	-75.9	177.4	68.2	-175.8	0.2	112.4	F23 I24 K25 W31	F23-R27 VanDerWaalsContact O-CB 3.26Å; F23-R27 WeakPolarHBondContact O-CB 3.18Å; F23-R27 WeakPolarHBondContact O-CG 3.15Å; F23-R27 PolarHBondContact O-N 3Å; I24-R27 PolarHBondContact O-N 2.97Å; K25-R27 VanDerWaalsContact C-N 3.34Å; K25-R27 PolarHBondContact O-N 3.47Å; R27-W31 WeakPolarHBondContact O-CB 3.19Å; R27-W31 PolarHBondContact O-N 3.43Å
28	E	96.3	Very high	94.2	Very high	111 Å²	111	114.4 Å²	114.4	52%	0.519	55%	0.545	S	S	.	.	H	α-helix	trans	-63.4	-44.8	175	-74.3	173.8	-176.3	0	0	111.7	I24 K25 W31 N32	I24-E28 WeakPolarHBondContact O-CG 3.3Å; I24-E28 PolarHBondContact O-N 3.25Å; K25-E28 PolarHBondContact O-N 2.99Å; E28-W31 PolarHBondContact O-N 3.43Å; E28-N32 VanDerWaalsContact O-CB 3.29Å; E28-N32 WeakPolarHBondContact O-CB 3.37Å; E28-N32 PolarHBondContact O-N 3.33Å; E28-N32 PolarHBondContact O-ND2 3.49Å; E28-N32 VanDerWaalsContact O-ND2 3.15Å
29	E	97	Very high	94.8	Very high	105 Å²	105	112.6 Å²	112.6	49%	0.491	53%	0.529	S	S	.	.	H	α-helix	trans	-61	-46.4	176.6	-72.9	173.4	178	0	0	111.7	K25 H26 N32 K33	K25-E29 WeakPolarHBondContact CE-OE1 3.36Å; K25-E29 IonicContact NZ-OE1 3.92Å; K25-E29 WeakPolarHBondContact O-CG 3.41Å; K25-E29 PolarHBondContact O-N 3.39Å; H26-E29 PolarHBondContact O-N 2.88Å; E29-N32 PolarHBondContact O-N 3.12Å; E29-K33 WeakPolarHBondContact O-CB 3.21Å; E29-K33 PolarHBondContact O-N 3.37Å
30	L	97	Very high	95.3	Very high	77 Å²	77	109.1 Å²	109.1	40%	0.403	52%	0.515	S	S	.	.	H	α-helix	trans	-62.3	-47.5	175.2	-73.3	177.6	0	0	0	112	H26 N32 K33 L34	H26-L30 WeakPolarHBondContact NE2-CD1 3.42Å; H26-L30 WeakPolarHBondContact O-CG 3.34Å; H26-L30 PolarHBondContact O-N 3.23Å; L30-N32 PolarHBondContact O-N 2.85Å; L30-K33 PolarHBondContact O-N 3.48Å; L30-L34 WeakPolarHBondContact O-CB 3.45Å; L30-L34 WeakPolarHBondContact O-CG 3.45Å; L30-L34 PolarHBondContact O-N 3.03Å
31	W	96.9	Very high	95.8	Very high	172 Å²	172	108.8 Å²	108.8	65%	0.652	50%	0.503	S	S	*	.	H	α-helix	trans	-57.1	-49.9	177.3	174	-93.1	0	0	0	111.1	R27 E28 K33 L34 K35	R27-W31 WeakPolarHBondContact O-CB 3.19Å; R27-W31 PolarHBondContact O-N 3.43Å; E28-W31 PolarHBondContact O-N 3.43Å; W31-K33 VanDerWaalsContact C-N 3.32Å; W31-K33 PolarHBondContact O-N 3.47Å; W31-L34 PolarHBondContact O-N 2.85Å; W31-K35 WeakPolarHBondContact O-CB 3.33Å; W31-K35 PolarHBondContact O-N 2.88Å
32	N	97.7	Very high	95.9	Very high	88 Å²	88	106.5 Å²	106.5	47%	0.471	49%	0.488	S	S	.	.	H	α-helix	trans	-62.2	-39.1	-179.3	-73.8	-27.6	0	0	0	112.4	E28 E29 L30 R36	E28-N32 VanDerWaalsContact O-CB 3.29Å; E28-N32 WeakPolarHBondContact O-CB 3.37Å; E28-N32 PolarHBondContact O-N 3.33Å; E28-N32 PolarHBondContact O-ND2 3.49Å; E28-N32 VanDerWaalsContact O-ND2 3.15Å; E29-N32 PolarHBondContact O-N 3.12Å; L30-N32 PolarHBondContact O-N 2.85Å; N32-R36 WeakPolarHBondContact O-CB 3.3Å; N32-R36 PolarHBondContact O-N 2.83Å
33	K	97.9	Very high	96.2	Very high	115 Å²	115	101.7 Å²	101.7	50%	0.5	48%	0.477	S	S	.	.	H	α-helix	trans	-63.4	-56	174.9	179.4	-176.8	173	-174.4	0	111.1	E29 L30 W31 K35 R36 E37	E29-K33 WeakPolarHBondContact O-CB 3.21Å; E29-K33 PolarHBondContact O-N 3.37Å; L30-K33 PolarHBondContact O-N 3.48Å; W31-K33 VanDerWaalsContact C-N 3.32Å; W31-K33 PolarHBondContact O-N 3.47Å; K33-K35 PolarHBondContact O-N 2.88Å; K33-R36 PolarHBondContact O-N 3.02Å; K33-E37 WeakPolarHBondContact CE-OE1 3.32Å; K33-E37 PolarHBondContact O-N 3.49Å
34	L	97.5	Very high	96.3	Very high	106 Å²	106	100 Å²	100	56%	0.555	48%	0.481	S	S	*	.	H	α-helix	trans	-64.7	-39.5	-175.9	-68	172.2	0	0	0	112	L30 W31 R36 E37 Y38	L30-L34 WeakPolarHBondContact O-CB 3.45Å; L30-L34 WeakPolarHBondContact O-CG 3.45Å; L30-L34 PolarHBondContact O-N 3.03Å; W31-L34 PolarHBondContact O-N 2.85Å; L34-R36 VanDerWaalsContact C-N 3.33Å; L34-R36 PolarHBondContact O-N 3.22Å; L34-E37 PolarHBondContact O-N 2.71Å; L34-Y38 WeakPolarHBondContact O-CB 3.33Å; L34-Y38 PolarHBondContact O-N 3.24Å
35	K	95.9	Very high	96.5	Very high	85 Å²	85	99.1 Å²	99.1	37%	0.37	48%	0.475	S	S	.	.	H	α-helix	trans	-61.4	-42.8	176.2	-175.7	59.9	167	77.5	0	111.3	W31 K33 Y38 D39	W31-K35 WeakPolarHBondContact O-CB 3.33Å; W31-K35 PolarHBondContact O-N 2.88Å; K33-K35 PolarHBondContact O-N 2.88Å; K35-Y38 PolarHBondContact O-N 3.49Å; K35-D39 IonicContact NZ-OD1 2.59Å; K35-D39 PolarHBondContact NZ-OD1 3.2Å; K35-D39 IonicContact NZ-OD2 2.67Å; K35-D39 PolarHBondContact NZ-OD2 2.91Å; K35-D39 WeakPolarHBondContact O-CB 3.32Å; K35-D39 PolarHBondContact O-N 2.88Å
36	R	97.5	Very high	96.6	Very high	177 Å²	177	96.9 Å²	96.9	67%	0.668	47%	0.474	S	S	*	.	H	α-helix	trans	-64.4	-43.7	176.8	-172.9	-174.4	-58.9	127.5	3.2	112.1	N32 K33 L34 D39 G40	N32-R36 WeakPolarHBondContact O-CB 3.3Å; N32-R36 PolarHBondContact O-N 2.83Å; K33-R36 PolarHBondContact O-N 3.02Å; L34-R36 VanDerWaalsContact C-N 3.33Å; L34-R36 PolarHBondContact O-N 3.22Å; R36-D39 PolarHBondContact O-N 3.48Å; R36-G40 PolarHBondContact O-N 2.9Å
37	E	97.9	Very high	96.8	Very high	109 Å²	109	96.3 Å²	96.3	51%	0.509	47%	0.468	S	S	.	.	H	α-helix	trans	-61.4	-45.5	176.4	-71.8	173.2	-170.5	0	0	111.1	K33 L34 G40 F41	K33-E37 WeakPolarHBondContact CE-OE1 3.32Å; K33-E37 PolarHBondContact O-N 3.49Å; L34-E37 PolarHBondContact O-N 2.71Å; E37-G40 PolarHBondContact O-N 2.86Å; E37-F41 WeakPolarHBondContact O-CB 3.35Å; E37-F41 PolarHBondContact O-N 3.24Å
38	Y	95.8	Very high	96.8	Very high	92 Å²	92	90.5 Å²	90.5	36%	0.361	45%	0.454	S	S	.	.	H	α-helix	trans	-63	-45.7	176	178.2	-99.2	0	0	0	112.5	L34 K35 G40 F41 V42	L34-Y38 WeakPolarHBondContact O-CB 3.33Å; L34-Y38 PolarHBondContact O-N 3.24Å; K35-Y38 PolarHBondContact O-N 3.49Å; Y38-G40 VanDerWaalsContact C-N 3.32Å; Y38-G40 PolarHBondContact O-N 2.88Å; Y38-F41 WeakPolarHBondContact O-CB 3.48Å; Y38-F41 PolarHBondContact O-N 3.11Å; Y38-F41 VanDerWaalsContact O-N 3.16Å; Y38-V42 HydrophobicContact CD1-CG2 4.06Å; Y38-V42 HydrophobicContact CD2-CG2 4.36Å; Y38-V42 HydrophobicContact CE1-CG2 3.58Å; Y38-V42 HydrophobicContact CE2-CG2 3.9Å; Y38-V42 HydrophobicContact CG-CG2 4.44Å; Y38-V42 VanDerWaalsContact CZ-CG2 3.49Å; Y38-V42 WeakPolarHBondContact O-CG2 3.47Å; Y38-V42 PolarHBondContact O-N 3.28Å
39	D	95.6	Very high	96.8	Very high	69 Å²	69	90.8 Å²	90.8	37%	0.369	47%	0.466	S	S	.	.	H	α-helix	trans	-63.5	-40.2	179.3	-70.6	-16.6	0	0	0	111.7	K35 R36 V42 A43	K35-D39 IonicContact NZ-OD1 2.59Å; K35-D39 PolarHBondContact NZ-OD1 3.2Å; K35-D39 IonicContact NZ-OD2 2.67Å; K35-D39 PolarHBondContact NZ-OD2 2.91Å; K35-D39 WeakPolarHBondContact O-CB 3.32Å; K35-D39 PolarHBondContact O-N 2.88Å; R36-D39 PolarHBondContact O-N 3.48Å; D39-V42 PolarHBondContact O-N 2.83Å; D39-A43 VanDerWaalsContact O-CB 3.28Å; D39-A43 WeakPolarHBondContact O-CB 3.29Å; D39-A43 PolarHBondContact O-N 3.29Å
40	G	97.3	Very high	96.9	Very high	43 Å²	43	86 Å²	86	44%	0.443	44%	0.444	S	S	.	.	H	α-helix	trans	-62.3	-43	172.9	0	0	0	0	0	112.1	R36 E37 Y38 A43 S44	R36-G40 PolarHBondContact O-N 2.9Å; E37-G40 PolarHBondContact O-N 2.86Å; Y38-G40 VanDerWaalsContact C-N 3.32Å; Y38-G40 PolarHBondContact O-N 2.88Å; G40-A43 PolarHBondContact O-N 3.13Å; G40-S44 WeakPolarHBondContact O-CB 3.25Å; G40-S44 PolarHBondContact O-N 3.49Å
41	F	96.9	Very high	96.9	Very high	95 Å²	95	86.8 Å²	86.8	42%	0.417	45%	0.445	S	S	.	.	H	α-helix	trans	-59.4	-53.1	174.1	169.9	-99.9	0	0	0	111.3	E37 Y38 A43 S44 Q45 W65	E37-F41 WeakPolarHBondContact O-CB 3.35Å; E37-F41 PolarHBondContact O-N 3.24Å; Y38-F41 WeakPolarHBondContact O-CB 3.48Å; Y38-F41 PolarHBondContact O-N 3.11Å; Y38-F41 VanDerWaalsContact O-N 3.16Å; F41-A43 VanDerWaalsContact C-N 3.3Å; F41-A43 PolarHBondContact O-N 3Å; F41-S44 WeakPolarHBondContact O-CB 3.26Å; F41-S44 PolarHBondContact O-N 3.36Å; F41-S44 PolarHBondContact O-OG 2.89Å; F41-Q45 HydrophobicContact CE1-CG 4.26Å; F41-Q45 HydrophobicContact CZ-CG 4.23Å; F41-Q45 WeakPolarHBondContact O-CG 3.21Å; F41-Q45 PolarHBondContact O-N 2.92Å; F41-W65 HydrophobicContact CD1-CZ3 4.37Å; F41-W65 AromaticContact CE1-CH2 3.52Å; F41-W65 HydrophobicContact CE1-CH2 3.52Å; F41-W65 HydrophobicContact CE1-CZ2 4.35Å; F41-W65 AromaticContact CE1-CZ3 3.66Å; F41-W65 HydrophobicContact CE1-CZ3 3.66Å; F41-W65 AromaticContact CZ-CH2 3.98Å; F41-W65 HydrophobicContact CZ-CH2 3.98Å; F41-W65 HydrophobicContact CZ-CZ2 4.46Å
42	V	95.8	Very high	97	Very high	18 Å²	18	78.6 Å²	78.6	11%	0.109	41%	0.414	C	S	.	.	H	α-helix	trans	-59.2	-40.4	179.2	171.8	0	0	0	0	111.5	Y38 D39 S44 Q45 R47 W65 P99	Y38-V42 HydrophobicContact CD1-CG2 4.06Å; Y38-V42 HydrophobicContact CD2-CG2 4.36Å; Y38-V42 HydrophobicContact CE1-CG2 3.58Å; Y38-V42 HydrophobicContact CE2-CG2 3.9Å; Y38-V42 HydrophobicContact CG-CG2 4.44Å; Y38-V42 VanDerWaalsContact CZ-CG2 3.49Å; Y38-V42 WeakPolarHBondContact O-CG2 3.47Å; Y38-V42 PolarHBondContact O-N 3.28Å; D39-V42 PolarHBondContact O-N 2.83Å; V42-S44 VanDerWaalsContact C-N 3.29Å; V42-S44 PolarHBondContact O-N 2.92Å; V42-Q45 PolarHBondContact O-N 3.04Å; V42-R47 PolarHBondContact O-NH1 2.8Å; V42-R47 PolarHBondContact O-NH2 3.37Å; V42-R47 VanDerWaalsContact O-NH2 3.09Å; V42-W65 HydrophobicContact CB-CE3 4.48Å; V42-W65 HydrophobicContact CG1-CB 4.38Å; V42-W65 HydrophobicContact CG1-CE3 4.31Å; V42-W65 HydrophobicContact CG2-CE3 4.02Å; V42-W65 HydrophobicContact CG2-CZ3 4.19Å; V42-P99 HydrophobicContact CG1-CG 4.46Å
43	A	95.7	Very high	97	Very high	71 Å²	71	77.3 Å²	77.3	59%	0.587	41%	0.409	S	S	*	.	H	α-helix	trans	-65.6	-30.5	176.3	0	0	0	0	0	113	D39 G40 F41 Q45	D39-A43 VanDerWaalsContact O-CB 3.28Å; D39-A43 WeakPolarHBondContact O-CB 3.29Å; D39-A43 PolarHBondContact O-N 3.29Å; G40-A43 PolarHBondContact O-N 3.13Å; F41-A43 VanDerWaalsContact C-N 3.3Å; F41-A43 PolarHBondContact O-N 3Å; A43-Q45 VanDerWaalsContact C-N 3.33Å
44	S	96.9	Very high	96.9	Very high	86 Å²	86	72.5 Å²	72.5	60%	0.601	39%	0.389	S	S	*	.	H	α-helix	trans	-77.6	-14.5	177.8	76.6	0	0	0	0	114.3	G40 F41 V42	G40-S44 WeakPolarHBondContact O-CB 3.25Å; G40-S44 PolarHBondContact O-N 3.49Å; F41-S44 WeakPolarHBondContact O-CB 3.26Å; F41-S44 PolarHBondContact O-N 3.36Å; F41-S44 PolarHBondContact O-OG 2.89Å; V42-S44 VanDerWaalsContact C-N 3.29Å; V42-S44 PolarHBondContact O-N 2.92Å
45	Q	97.1	Very high	96.7	Very high	48 Å²	48	72.4 Å²	72.4	22%	0.224	40%	0.395	C	S	.	.	S	Bend	trans	-76.1	146.3	-178.1	-62.6	-55.6	-51.2	0	0	112.4	F41 V42 A43 R47 W65	F41-Q45 HydrophobicContact CE1-CG 4.26Å; F41-Q45 HydrophobicContact CZ-CG 4.23Å; F41-Q45 WeakPolarHBondContact O-CG 3.21Å; F41-Q45 PolarHBondContact O-N 2.92Å; V42-Q45 PolarHBondContact O-N 3.04Å; A43-Q45 VanDerWaalsContact C-N 3.33Å; Q45-R47 PolarHBondContact O-NH1 2.91Å; Q45-W65 HydrophobicContact CB-CB 3.94Å; Q45-W65 HydrophobicContact CB-CD2 3.63Å; Q45-W65 HydrophobicContact CB-CE3 4.42Å; Q45-W65 HydrophobicContact CB-CG 3.35Å; Q45-W65 HydrophobicContact CG-CD2 3.53Å; Q45-W65 VanDerWaalsContact CG-CE2 3.5Å; Q45-W65 HydrophobicContact CG-CE3 3.97Å; Q45-W65 HydrophobicContact CG-CG 3.87Å; Q45-W65 HydrophobicContact CG-CH2 4.31Å; Q45-W65 HydrophobicContact CG-CZ2 3.9Å; Q45-W65 HydrophobicContact CG-CZ3 4.34Å
46	P	95.7	Very high	96.6	Very high	87 Å²	87	73.9 Å²	73.9	57%	0.565	41%	0.407	S	S	*	.			trans	-67.3	136.6	179.3	28.1	-34.7	0	0	0	112	S48	P46-S48 VanDerWaalsContact C-N 3.27Å; P46-S48 PolarHBondContact O-N 3.3Å; P46-S48 VanDerWaalsContact O-N 3.09Å
47	R	96.9	Very high	96.5	Very high	93 Å²	93	67.9 Å²	67.9	35%	0.351	40%	0.4	S	S	.	.			trans	-84.9	65	173.4	-59.1	-55.1	-173.8	-110.9	14.1	111.2	V42 Q45 K63 A64 W65 E66	V42-R47 PolarHBondContact O-NH1 2.8Å; V42-R47 PolarHBondContact O-NH2 3.37Å; V42-R47 VanDerWaalsContact O-NH2 3.09Å; Q45-R47 PolarHBondContact O-NH1 2.91Å; R47-K63 HydrophobicContact CB-CD 4.3Å; R47-A64 WeakPolarHBondContact CD-O 3.37Å; R47-W65 PolarHBondContact NH2-O 3.06Å; R47-E66 IonicContact NE-OE2 3.34Å
48	S	96.7	Very high	96.4	Very high	54 Å²	54	65.8 Å²	65.8	38%	0.378	40%	0.395	S	S	.	.			trans	-75.5	145.3	176.7	54.4	0	0	0	0	111.4	P46 V50 K63 A64	P46-S48 VanDerWaalsContact C-N 3.27Å; P46-S48 PolarHBondContact O-N 3.3Å; P46-S48 VanDerWaalsContact O-N 3.09Å; S48-V50 PolarHBondContact O-N 3.12Å; S48-K63 WeakPolarHBondContact O-CA 3.49Å; S48-A64 PolarHBondContact O-N 3.41Å; S48-A64 WeakPolarHBondContact OG-CB 3.26Å
49	P	97.9	Very high	96.4	Very high	117 Å²	117	65.8 Å²	65.8	76%	0.76	40%	0.4	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-56.4	137.3	169.9	-23.5	34	0	0	0	111.3
50	V	97.7	Very high	96.5	Very high	4 Å²	4	63.9 Å²	63.9	2%	0.024	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	151	174.3	-65.3	0	0	0	0	110.6	S48 I52 G62 A64 N103	S48-V50 PolarHBondContact O-N 3.12Å; V50-I52 HydrophobicContact CG2-CD1 3.8Å; V50-G62 PolarHBondContact N-O 2.97Å; V50-G62 PolarHBondContact O-N 2.86Å; V50-A64 HydrophobicContact CG1-CB 3.75Å; V50-N103 VanDerWaalsContact CA-OD1 3.25Å; V50-N103 WeakPolarHBondContact CA-OD1 3.29Å
51	Q	97.9	Very high	96.5	Very high	94 Å²	94	67.9 Å²	67.9	44%	0.439	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	127.2	175.6	-70.6	-177.7	-10.3	0	0	110.3	I59 N103 S104	Q51-I59 HydrophobicContact CB-CG2 3.86Å; Q51-I59 HydrophobicContact CG-CG2 3.99Å; Q51-N103 PolarHBondContact N-OD1 3.08Å; Q51-N103 VanDerWaalsContact O-CA 3.26Å; Q51-N103 WeakPolarHBondContact O-CA 3.35Å; Q51-S104 PolarHBondContact O-N 3.04Å
52	I	98	Very high	96.4	Very high	0 Å²	0	64 Å²	64	0%	0	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	115.3	178.1	-62.1	79	0	0	0	108.1	V50 I59 V60 F100 S104 L106	V50-I52 HydrophobicContact CG2-CD1 3.8Å; I52-I59 WeakPolarHBondContact O-CA 3.08Å; I52-V60 HydrophobicContact CB-CB 4.38Å; I52-V60 WeakPolarHBondContact CD1-O 3.43Å; I52-V60 PolarHBondContact N-O 2.74Å; I52-V60 PolarHBondContact O-N 3.09Å; I52-F100 HydrophobicContact CD1-CD2 4.2Å; I52-F100 HydrophobicContact CG1-CD1 4.39Å; I52-F100 HydrophobicContact CG1-CD2 3.8Å; I52-F100 HydrophobicContact CG1-CE1 4.38Å; I52-F100 HydrophobicContact CG1-CE2 3.82Å; I52-F100 HydrophobicContact CG1-CG 4.11Å; I52-F100 HydrophobicContact CG1-CZ 4.12Å; I52-F100 HydrophobicContact CG2-CE2 4.5Å; I52-F100 HydrophobicContact CG2-CZ 4.15Å; I52-S104 CarbonylContact C-O 3.47Å; I52-S104 VanDerWaalsContact CA-O 3.29Å; I52-S104 WeakPolarHBondContact CA-O 3.41Å; I52-L106 HydrophobicContact CG2-CB 3.53Å; I52-L106 HydrophobicContact CG2-CD2 4.01Å; I52-L106 HydrophobicContact CG2-CG 4.42Å
53	T	97.9	Very high	96.5	Very high	60 Å²	60	67.6 Å²	67.6	37%	0.368	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	122.3	179	-53.4	0	0	0	0	110.3	S104 S105 L106	T53-S104 PolarHBondContact N-O 3.06Å; T53-S105 CarbonylContact O-C 3.55Å; T53-S105 WeakPolarHBondContact O-CA 3.4Å; T53-L106 PolarHBondContact O-N 3.23Å
54	L	96.4	Very high	96.6	Very high	15 Å²	15	64.2 Å²	64.2	8%	0.079	37%	0.374	C	S	.	.			trans	-85.8	164.5	175.7	-62.7	-179.8	0	0	0	111.2	D56 G57 T58 V60 V72 I76 L106	L54-D56 WeakPolarHBondContact CB-OD1 3.27Å; L54-D56 PolarHBondContact O-N 3.27Å; L54-G57 PolarHBondContact O-N 3.33Å; L54-T58 HydrophobicContact CD1-CG2 4.25Å; L54-T58 PolarHBondContact N-O 3.2Å; L54-V60 HydrophobicContact CD1-CG2 3.86Å; L54-V60 HydrophobicContact CG-CG2 4.21Å; L54-V72 HydrophobicContact CD2-CG1 4.05Å; L54-I76 HydrophobicContact CD1-CD1 3.61Å; L54-I76 HydrophobicContact CD1-CG1 4.13Å; L54-I76 HydrophobicContact CD2-CD1 4.06Å; L54-L106 HydrophobicContact CD2-CB 4.23Å; L54-L106 HydrophobicContact CD2-CD2 3.95Å; L54-L106 HydrophobicContact CD2-CG 4.29Å
55	P	94	Very high	96.7	Very high	104 Å²	104	61.3 Å²	61.3	68%	0.675	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-21.7	-174.1	-21.9	37.3	0	0	0	113.8	G57 L106 E107	P55-G57 PolarHBondContact O-N 2.58Å; P55-L106 VanDerWaalsContact CD-O 3.3Å; P55-L106 WeakPolarHBondContact CD-O 3.48Å; P55-E107 HydrophobicContact CG-CB 4.45Å; P55-E107 HydrophobicContact CG-CG 3.89Å
56	D	93.9	Very high	96.7	Very high	116 Å²	116	63 Å²	63	62%	0.62	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-3.8	173.3	66.7	-15.2	0	0	0	113	L54 T58	L54-D56 WeakPolarHBondContact CB-OD1 3.27Å; L54-D56 PolarHBondContact O-N 3.27Å; D56-T58 VanDerWaalsContact C-N 3.35Å; D56-T58 WeakPolarHBondContact OD1-CB 3.07Å; D56-T58 PolarHBondContact OD1-N 3.37Å; D56-T58 PolarHBondContact OD1-OG1 2.82Å; D56-T58 PolarHBondContact OD2-OG1 3.47Å
57	G	94.3	Very high	96.8	Very high	50 Å²	50	59.7 Å²	59.7	52%	0.515	34%	0.337	S	S	.	.	S	Bend	trans	87.9	-2.9	-175.6	0	0	0	0	0	114.2	L54 P55	L54-G57 PolarHBondContact O-N 3.33Å; P55-G57 PolarHBondContact O-N 2.58Å
58	T	95.1	Very high	96.8	Very high	66 Å²	66	55.9 Å²	55.9	41%	0.405	32%	0.324	S	S	.	.			trans	-64.5	136.4	176	-62.1	0	0	0	0	110	L54 D56	L54-T58 HydrophobicContact CD1-CG2 4.25Å; L54-T58 PolarHBondContact N-O 3.2Å; D56-T58 VanDerWaalsContact C-N 3.35Å; D56-T58 WeakPolarHBondContact OD1-CB 3.07Å; D56-T58 PolarHBondContact OD1-N 3.37Å; D56-T58 PolarHBondContact OD1-OG1 2.82Å; D56-T58 PolarHBondContact OD2-OG1 3.47Å
59	I	96.7	Very high	96.9	Very high	92 Å²	92	53.3 Å²	53.3	47%	0.472	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	127.2	176	-60.4	175	0	0	0	108.7	Q51 I52	Q51-I59 HydrophobicContact CB-CG2 3.86Å; Q51-I59 HydrophobicContact CG-CG2 3.99Å; I52-I59 WeakPolarHBondContact O-CA 3.08Å
60	V	96.8	Very high	96.9	Very high	28 Å²	28	49.2 Å²	49.2	17%	0.17	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	122.9	174.3	-178.7	0	0	0	0	108.6	I52 L54 V72	I52-V60 HydrophobicContact CB-CB 4.38Å; I52-V60 WeakPolarHBondContact CD1-O 3.43Å; I52-V60 PolarHBondContact N-O 2.74Å; I52-V60 PolarHBondContact O-N 3.09Å; L54-V60 HydrophobicContact CD1-CG2 3.86Å; L54-V60 HydrophobicContact CG-CG2 4.21Å; V60-V72 HydrophobicContact CB-CG1 4.49Å; V60-V72 HydrophobicContact CG1-CG1 4.38Å; V60-V72 HydrophobicContact CG1-CG2 4.36Å; V60-V72 HydrophobicContact CG2-CG1 4.24Å
61	D	97.3	Very high	96.9	Very high	128 Å²	128	52.9 Å²	52.9	68%	0.684	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.9	137.9	174.2	-69.5	-35.8	0	0	0	110.8
62	G	96.7	Very high	96.8	Very high	12 Å²	12	48.4 Å²	48.4	12%	0.124	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	-172.3	177.8	0	0	0	0	0	112.3	V50 T67	V50-G62 PolarHBondContact N-O 2.97Å; V50-G62 PolarHBondContact O-N 2.86Å; G62-T67 WeakPolarHBondContact CA-OG1 3.12Å
63	K	97.8	Very high	96.7	Very high	94 Å²	94	48.4 Å²	48.4	41%	0.409	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	135.2	173.6	-65.3	-173.1	-151.1	144.2	0	110.7	R47 S48 E66 T67	R47-K63 HydrophobicContact CB-CD 4.3Å; S48-K63 WeakPolarHBondContact O-CA 3.49Å; K63-E66 HydrophobicContact CB-CB 4.04Å; K63-E66 IonicContact NZ-OE1 2.91Å; K63-E66 PolarHBondContact NZ-OE1 3.11Å; K63-E66 IonicContact NZ-OE2 2.83Å; K63-E66 PolarHBondContact O-N 3.16Å; K63-T67 PolarHBondContact N-OG1 2.79Å; K63-T67 PolarHBondContact O-N 3.1Å
64	A	97.8	Very high	96.7	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	139.5	173.7	0	0	0	0	0	110.1	R47 S48 V50 E66 F100 E101	R47-A64 WeakPolarHBondContact CD-O 3.37Å; S48-A64 PolarHBondContact O-N 3.41Å; S48-A64 WeakPolarHBondContact OG-CB 3.26Å; V50-A64 HydrophobicContact CG1-CB 3.75Å; A64-E66 PolarHBondContact O-N 3.26Å; A64-E66 VanDerWaalsContact O-N 3.16Å; A64-F100 CarbonylContact C-O 3.54Å; A64-F100 VanDerWaalsContact CA-O 3.26Å; A64-F100 WeakPolarHBondContact CA-O 3.34Å; A64-E101 WeakPolarHBondContact CB-O 3.22Å
65	W	97.9	Very high	96.6	Very high	26 Å²	26	57.1 Å²	57.1	10%	0.098	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.9	16.8	178.2	-55.4	97	0	0	0	114.9	F41 V42 Q45 R47 P99 F100 E101	F41-W65 HydrophobicContact CD1-CZ3 4.37Å; F41-W65 AromaticContact CE1-CH2 3.52Å; F41-W65 HydrophobicContact CE1-CH2 3.52Å; F41-W65 HydrophobicContact CE1-CZ2 4.35Å; F41-W65 AromaticContact CE1-CZ3 3.66Å; F41-W65 HydrophobicContact CE1-CZ3 3.66Å; F41-W65 AromaticContact CZ-CH2 3.98Å; F41-W65 HydrophobicContact CZ-CH2 3.98Å; F41-W65 HydrophobicContact CZ-CZ2 4.46Å; V42-W65 HydrophobicContact CB-CE3 4.48Å; V42-W65 HydrophobicContact CG1-CB 4.38Å; V42-W65 HydrophobicContact CG1-CE3 4.31Å; V42-W65 HydrophobicContact CG2-CE3 4.02Å; V42-W65 HydrophobicContact CG2-CZ3 4.19Å; Q45-W65 HydrophobicContact CB-CB 3.94Å; Q45-W65 HydrophobicContact CB-CD2 3.63Å; Q45-W65 HydrophobicContact CB-CE3 4.42Å; Q45-W65 HydrophobicContact CB-CG 3.35Å; Q45-W65 HydrophobicContact CG-CD2 3.53Å; Q45-W65 VanDerWaalsContact CG-CE2 3.5Å; Q45-W65 HydrophobicContact CG-CE3 3.97Å; Q45-W65 HydrophobicContact CG-CG 3.87Å; Q45-W65 HydrophobicContact CG-CH2 4.31Å; Q45-W65 HydrophobicContact CG-CZ2 3.9Å; Q45-W65 HydrophobicContact CG-CZ3 4.34Å; R47-W65 PolarHBondContact NH2-O 3.06Å; W65-P99 HydrophobicContact CE3-CG 4.45Å; W65-F100 PolarHBondContact N-O 3.45Å; W65-E101 HydrophobicContact CD2-CG 4.31Å; W65-E101 HydrophobicContact CE3-CG 4.33Å; W65-E101 HydrophobicContact CH2-CB 4.43Å; W65-E101 VanDerWaalsContact CH2-CD 3.43Å; W65-E101 HydrophobicContact CH2-CG 3.6Å; W65-E101 WeakPolarHBondContact CH2-OE1 3.18Å; W65-E101 HydrophobicContact CZ2-CB 3.92Å; W65-E101 HydrophobicContact CZ2-CG 3.58Å; W65-E101 HydrophobicContact CZ3-CG 3.99Å
66	E	97.1	Very high	96.5	Very high	84 Å²	84	56.1 Å²	56.1	39%	0.393	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-132.9	-57.7	177.9	-178.7	174.5	131.7	0	0	110.5	R47 K63 A64	R47-E66 IonicContact NE-OE2 3.34Å; K63-E66 HydrophobicContact CB-CB 4.04Å; K63-E66 IonicContact NZ-OE1 2.91Å; K63-E66 PolarHBondContact NZ-OE1 3.11Å; K63-E66 IonicContact NZ-OE2 2.83Å; K63-E66 PolarHBondContact O-N 3.16Å; A64-E66 PolarHBondContact O-N 3.26Å; A64-E66 VanDerWaalsContact O-N 3.16Å
67	T	97.6	Very high	96.5	Very high	17 Å²	17	52.9 Å²	52.9	10%	0.104	29%	0.285	C	S	.	.			trans	-70	132.4	-177	-56.3	0	0	0	0	111.7	G62 K63 E71 V72 P99 F100	G62-T67 WeakPolarHBondContact CA-OG1 3.12Å; K63-T67 PolarHBondContact N-OG1 2.79Å; K63-T67 PolarHBondContact O-N 3.1Å; T67-E71 WeakPolarHBondContact CA-OE2 3.36Å; T67-V72 HydrophobicContact CG2-CG2 3.95Å; T67-P99 CarbonylContact O-C 3.46Å; T67-P99 WeakPolarHBondContact O-CA 3.38Å; T67-F100 HydrophobicContact CG2-CD2 4.17Å; T67-F100 HydrophobicContact CG2-CE2 4.4Å; T67-F100 WeakPolarHBondContact O-CD2 3.47Å; T67-F100 PolarHBondContact O-N 3.06Å
68	T	98	Very high	96.5	Very high	13 Å²	13	57.7 Å²	57.7	8%	0.08	29%	0.292	C	S	.	.			trans	-113.2	157.3	-179.9	65.3	0	0	0	0	112.8	M70 E71 V72 P99	T68-M70 PolarHBondContact O-N 3.13Å; T68-E71 PolarHBondContact N-OE2 3Å; T68-E71 WeakPolarHBondContact O-CB 3.24Å; T68-E71 PolarHBondContact O-N 3.42Å; T68-E71 VanDerWaalsContact O-N 3.11Å; T68-E71 WeakPolarHBondContact OG1-CG 2.97Å; T68-E71 PolarHBondContact OG1-N 2.8Å; T68-V72 PolarHBondContact O-N 3.13Å; T68-V72 VanDerWaalsContact O-N 3.12Å; T68-P99 HydrophobicContact CG2-CB 4.34Å
69	P	97.8	Very high	96.4	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-54.8	-37.8	171.8	-25.7	31.5	0	0	0	113.6	E71 V72 A73 A87 V89 L96 R98 F100 L106	P69-E71 PolarHBondContact O-N 2.79Å; P69-V72 PolarHBondContact O-N 3.25Å; P69-A73 WeakPolarHBondContact O-CB 3.42Å; P69-A73 PolarHBondContact O-N 2.98Å; P69-A87 HydrophobicContact CB-CB 3.61Å; P69-A87 HydrophobicContact CG-CB 3.85Å; P69-V89 HydrophobicContact CG-CG2 4.33Å; P69-L96 HydrophobicContact CB-CD2 4.36Å; P69-L96 WeakPolarHBondContact CD-O 3.46Å; P69-R98 WeakPolarHBondContact CD-O 3.18Å; P69-F100 HydrophobicContact CB-CZ 4.19Å; P69-F100 HydrophobicContact CG-CE1 4.21Å; P69-F100 HydrophobicContact CG-CE2 4.18Å; P69-F100 HydrophobicContact CG-CZ 3.7Å; P69-L106 HydrophobicContact CB-CD1 3.94Å; P69-L106 HydrophobicContact CG-CD1 4.39Å
70	M	97.7	Very high	96.3	Very high	30 Å²	30	57 Å²	57	15%	0.148	29%	0.29	C	S	.	.	H	α-helix	trans	-63.3	-38.9	176.5	-179.6	56.7	73.4	0	0	112.3	T68 A73 K74 A81 L96 L97	T68-M70 PolarHBondContact O-N 3.13Å; M70-A73 WeakPolarHBondContact O-CB 3.19Å; M70-A73 PolarHBondContact O-N 3.24Å; M70-K74 HydrophobicContact CG-CD 4.38Å; M70-K74 VanDerWaalsContact O-CG 3.3Å; M70-K74 WeakPolarHBondContact O-CG 3.28Å; M70-K74 PolarHBondContact O-N 3.37Å; M70-K74 HydrophobicContact SD-CG 4.45Å; M70-A81 HydrophobicContact SD-CB 4.07Å; M70-L96 HydrophobicContact CB-CB 4.22Å; M70-L96 WeakPolarHBondContact CB-O 3.45Å; M70-L96 HydrophobicContact CE-CB 4.1Å; M70-L96 HydrophobicContact CE-CD1 3.65Å; M70-L96 HydrophobicContact CE-CG 4.42Å; M70-L96 PolarHBondContact N-O 3Å; M70-L97 HydrophobicContact CB-CD2 3.99Å; M70-L97 HydrophobicContact CG-CD2 4.15Å
71	E	97.4	Very high	96.2	Very high	81 Å²	81	56.2 Å²	56.2	38%	0.379	29%	0.286	S	S	.	.	H	α-helix	trans	-65.3	-43.8	175.1	-75.3	167.8	-172.8	0	0	111.7	T67 T68 P69 A73 K74 N75	T67-E71 WeakPolarHBondContact CA-OE2 3.36Å; T68-E71 PolarHBondContact N-OE2 3Å; T68-E71 WeakPolarHBondContact O-CB 3.24Å; T68-E71 PolarHBondContact O-N 3.42Å; T68-E71 VanDerWaalsContact O-N 3.11Å; T68-E71 WeakPolarHBondContact OG1-CG 2.97Å; T68-E71 PolarHBondContact OG1-N 2.8Å; P69-E71 PolarHBondContact O-N 2.79Å; E71-A73 VanDerWaalsContact C-N 3.3Å; E71-A73 PolarHBondContact O-N 3.29Å; E71-K74 PolarHBondContact O-N 3.26Å; E71-N75 VanDerWaalsContact O-CG 3.27Å; E71-N75 PolarHBondContact O-N 3.46Å; E71-N75 PolarHBondContact O-ND2 3.09Å
72	V	96.9	Very high	96	Very high	1 Å²	1	55.7 Å²	55.7	1%	0.006	28%	0.28	C	S	.	.	H	α-helix	trans	-60.6	-42.7	174.6	179.8	0	0	0	0	110.5	L54 V60 T67 T68 P69 K74 N75 I76 F100 L106	L54-V72 HydrophobicContact CD2-CG1 4.05Å; V60-V72 HydrophobicContact CB-CG1 4.49Å; V60-V72 HydrophobicContact CG1-CG1 4.38Å; V60-V72 HydrophobicContact CG1-CG2 4.36Å; V60-V72 HydrophobicContact CG2-CG1 4.24Å; T67-V72 HydrophobicContact CG2-CG2 3.95Å; T68-V72 PolarHBondContact O-N 3.13Å; T68-V72 VanDerWaalsContact O-N 3.12Å; P69-V72 PolarHBondContact O-N 3.25Å; V72-K74 PolarHBondContact O-N 3.47Å; V72-N75 PolarHBondContact O-N 3.24Å; V72-I76 HydrophobicContact CG1-CD1 4.08Å; V72-I76 WeakPolarHBondContact O-CG1 3.49Å; V72-I76 PolarHBondContact O-N 2.97Å; V72-I76 VanDerWaalsContact O-N 3.12Å; V72-F100 HydrophobicContact CG2-CE2 3.99Å; V72-L106 HydrophobicContact CB-CD2 3.8Å; V72-L106 HydrophobicContact CG1-CD2 3.57Å; V72-L106 HydrophobicContact CG2-CD2 4.34Å
73	A	96.3	Very high	95.9	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-56.9	-47.8	175.5	0	0	0	0	0	112.2	P69 M70 E71 N75 I76 S77 A81 I108	P69-A73 WeakPolarHBondContact O-CB 3.42Å; P69-A73 PolarHBondContact O-N 2.98Å; M70-A73 WeakPolarHBondContact O-CB 3.19Å; M70-A73 PolarHBondContact O-N 3.24Å; E71-A73 VanDerWaalsContact C-N 3.3Å; E71-A73 PolarHBondContact O-N 3.29Å; A73-N75 VanDerWaalsContact C-N 3.3Å; A73-N75 PolarHBondContact O-N 3.38Å; A73-I76 PolarHBondContact O-N 2.82Å; A73-S77 PolarHBondContact O-N 2.78Å; A73-A81 HydrophobicContact CB-CB 3.96Å; A73-I108 HydrophobicContact CB-CD1 3.48Å; A73-I108 VanDerWaalsContact CB-CD1 3.48Å
74	K	96.4	Very high	95.7	Very high	128 Å²	128	56.4 Å²	56.4	56%	0.557	28%	0.284	S	S	*	.	H	α-helix	trans	-62.2	-37.9	179.1	-74.2	171.2	-179.4	175.2	0	111.9	M70 E71 V72 I76 A81	M70-K74 HydrophobicContact CG-CD 4.38Å; M70-K74 VanDerWaalsContact O-CG 3.3Å; M70-K74 WeakPolarHBondContact O-CG 3.28Å; M70-K74 PolarHBondContact O-N 3.37Å; M70-K74 HydrophobicContact SD-CG 4.45Å; E71-K74 PolarHBondContact O-N 3.26Å; V72-K74 PolarHBondContact O-N 3.47Å; K74-I76 VanDerWaalsContact C-N 3.32Å; K74-A81 HydrophobicContact CB-CB 4.35Å; K74-A81 HydrophobicContact CG-CB 3.58Å
75	N	94.3	Very high	95.6	Very high	130 Å²	130	58 Å²	58	70%	0.695	29%	0.293	S	S	*	.	H	α-helix	trans	-68.9	-29.7	178	-69.8	-15.9	0	0	0	112.7	E71 V72 A73	E71-N75 VanDerWaalsContact O-CG 3.27Å; E71-N75 PolarHBondContact O-N 3.46Å; E71-N75 PolarHBondContact O-ND2 3.09Å; V72-N75 PolarHBondContact O-N 3.24Å; A73-N75 VanDerWaalsContact C-N 3.3Å; A73-N75 PolarHBondContact O-N 3.38Å
76	I	93.1	Very high	95.4	Very high	83 Å²	83	57 Å²	57	43%	0.426	29%	0.29	S	S	.	.	H	α-helix	trans	-76.6	-58.1	175.3	-63	162	0	0	0	110.2	L54 V72 A73 K74 L80	L54-I76 HydrophobicContact CD1-CD1 3.61Å; L54-I76 HydrophobicContact CD1-CG1 4.13Å; L54-I76 HydrophobicContact CD2-CD1 4.06Å; V72-I76 HydrophobicContact CG1-CD1 4.08Å; V72-I76 WeakPolarHBondContact O-CG1 3.49Å; V72-I76 PolarHBondContact O-N 2.97Å; V72-I76 VanDerWaalsContact O-N 3.12Å; A73-I76 PolarHBondContact O-N 2.82Å; K74-I76 VanDerWaalsContact C-N 3.32Å; I76-L80 HydrophobicContact CB-CD2 4.06Å; I76-L80 HydrophobicContact CD1-CD2 3.96Å; I76-L80 HydrophobicContact CG2-CD2 3.89Å
77	S	93.4	Very high	95.4	Very high	47 Å²	47	53 Å²	53	33%	0.329	27%	0.271	S	S	.	.			trans	-163.3	147.9	173.2	70.6	0	0	0	0	112.1	A73 T79 L80 A81	A73-S77 PolarHBondContact O-N 2.78Å; S77-T79 VanDerWaalsContact C-N 3.27Å; S77-T79 PolarHBondContact O-N 3.49Å; S77-L80 PolarHBondContact O-N 3.34Å; S77-L80 WeakPolarHBondContact OG-CB 3.48Å; S77-L80 PolarHBondContact OG-N 2.93Å; S77-L80 VanDerWaalsContact OG-N 3.07Å; S77-A81 PolarHBondContact O-N 3.32Å; S77-A81 VanDerWaalsContact O-N 3.17Å
78	K	94.5	Very high	95.3	Very high	152 Å²	152	54.5 Å²	54.5	66%	0.661	28%	0.276	S	S	*	.	H	α-helix	trans	-56.2	-43.1	173.2	-167.9	-179.2	-172.2	-103.4	0	111.8	L80 A81 E82	K78-L80 PolarHBondContact O-N 3.16Å; K78-A81 PolarHBondContact O-N 3.44Å; K78-E82 VanDerWaalsContact CE-OE1 3.25Å; K78-E82 WeakPolarHBondContact CE-OE1 3.12Å; K78-E82 HydrophobicContact CG-CG 4.42Å; K78-E82 IonicContact NZ-OE1 2.66Å; K78-E82 PolarHBondContact NZ-OE1 3.34Å; K78-E82 WeakPolarHBondContact O-CG 3.4Å; K78-E82 PolarHBondContact O-N 2.91Å
79	T	94	Very high	95.3	Very high	88 Å²	88	54.2 Å²	54.2	54%	0.54	27%	0.274	S	S	.	.	H	α-helix	trans	-62	-42.8	-179.9	-49.6	0	0	0	0	111.9	S77 E82 H83	S77-T79 VanDerWaalsContact C-N 3.27Å; S77-T79 PolarHBondContact O-N 3.49Å; T79-E82 PolarHBondContact O-N 3.26Å; T79-H83 PolarHBondContact O-N 3.43Å; T79-H83 PolarHBondContact O-ND1 2.9Å
80	L	92.8	Very high	95.2	Very high	56 Å²	56	58 Å²	58	29%	0.293	30%	0.295	S	S	.	.	H	α-helix	trans	-62	-45.1	176.6	179.6	62.5	0	0	0	111.1	I76 S77 K78 E82 H83 A84 I108	I76-L80 HydrophobicContact CB-CD2 4.06Å; I76-L80 HydrophobicContact CD1-CD2 3.96Å; I76-L80 HydrophobicContact CG2-CD2 3.89Å; S77-L80 PolarHBondContact O-N 3.34Å; S77-L80 WeakPolarHBondContact OG-CB 3.48Å; S77-L80 PolarHBondContact OG-N 2.93Å; S77-L80 VanDerWaalsContact OG-N 3.07Å; K78-L80 PolarHBondContact O-N 3.16Å; L80-E82 PolarHBondContact O-N 3.43Å; L80-H83 PolarHBondContact O-N 2.96Å; L80-A84 WeakPolarHBondContact O-CB 3.4Å; L80-A84 PolarHBondContact O-N 3.04Å; L80-I108 HydrophobicContact CD1-CB 4.44Å; L80-I108 HydrophobicContact CD1-CG2 4.18Å; L80-I108 HydrophobicContact CD2-CD1 4.2Å
81	A	95	Very high	95.1	Very high	11 Å²	11	58.7 Å²	58.7	9%	0.091	31%	0.31	C	S	.	.	H	α-helix	trans	-63.6	-38.5	178.2	0	0	0	0	0	113.2	M70 A73 K74 S77 K78 H83 A84	M70-A81 HydrophobicContact SD-CB 4.07Å; A73-A81 HydrophobicContact CB-CB 3.96Å; K74-A81 HydrophobicContact CB-CB 4.35Å; K74-A81 HydrophobicContact CG-CB 3.58Å; S77-A81 PolarHBondContact O-N 3.32Å; S77-A81 VanDerWaalsContact O-N 3.17Å; K78-A81 PolarHBondContact O-N 3.44Å; A81-H83 VanDerWaalsContact C-N 3.33Å; A81-H83 PolarHBondContact O-N 3.44Å; A81-A84 PolarHBondContact O-N 3.45Å
82	E	94.8	Very high	95	Very high	117 Å²	117	61.3 Å²	61.3	55%	0.547	32%	0.322	S	S	.	.	H	α-helix	trans	-68.4	-30.3	179	-75.7	173	172.4	0	0	113.1	K78 T79 L80	K78-E82 VanDerWaalsContact CE-OE1 3.25Å; K78-E82 WeakPolarHBondContact CE-OE1 3.12Å; K78-E82 HydrophobicContact CG-CG 4.42Å; K78-E82 IonicContact NZ-OE1 2.66Å; K78-E82 PolarHBondContact NZ-OE1 3.34Å; K78-E82 WeakPolarHBondContact O-CG 3.4Å; K78-E82 PolarHBondContact O-N 2.91Å; T79-E82 PolarHBondContact O-N 3.26Å; L80-E82 PolarHBondContact O-N 3.43Å
83	H	93.6	Very high	94.9	Very high	105 Å²	105	64.7 Å²	64.7	49%	0.486	34%	0.34	S	S	.	.	H	α-helix	trans	-99.5	0.8	179.8	-61.9	82.7	0	0	0	113.3	T79 L80 A81 V85 N110	T79-H83 PolarHBondContact O-N 3.43Å; T79-H83 PolarHBondContact O-ND1 2.9Å; L80-H83 PolarHBondContact O-N 2.96Å; A81-H83 VanDerWaalsContact C-N 3.33Å; A81-H83 PolarHBondContact O-N 3.44Å; H83-V85 PolarHBondContact O-N 3.32Å; H83-N110 HydrophobicContact CB-CB 4.33Å; H83-N110 WeakPolarHBondContact O-CA 3.39Å; H83-N110 WeakPolarHBondContact O-CB 3.39Å
84	A	94.5	Very high	94.9	Very high	16 Å²	16	66.3 Å²	66.3	13%	0.132	35%	0.346	C	S	.	.			trans	-71.4	127.5	179.6	0	0	0	0	0	110.8	L80 A81 L96 I108	L80-A84 WeakPolarHBondContact O-CB 3.4Å; L80-A84 PolarHBondContact O-N 3.04Å; A81-A84 PolarHBondContact O-N 3.45Å; A84-L96 HydrophobicContact CB-CD1 3.94Å; A84-L96 HydrophobicContact CB-CD2 4.2Å; A84-L96 WeakPolarHBondContact O-CD1 3.4Å; A84-I108 HydrophobicContact CB-CG2 3.58Å
85	V	94	Very high	94.8	Very high	32 Å²	32	64 Å²	64	19%	0.194	34%	0.34	C	S	.	.			trans	-110.9	-43.8	179.3	179.7	0	0	0	0	110.8	H83 Y109 F111 F119	H83-V85 PolarHBondContact O-N 3.32Å; V85-Y109 PolarHBondContact N-O 3.46Å; V85-F111 HydrophobicContact CB-CE1 4.4Å; V85-F111 HydrophobicContact CB-CZ 4.45Å; V85-F111 HydrophobicContact CG1-CD1 4.37Å; V85-F111 HydrophobicContact CG1-CE1 3.88Å; V85-F111 HydrophobicContact CG1-CZ 4.2Å; V85-F111 HydrophobicContact CG2-CD1 3.78Å; V85-F111 HydrophobicContact CG2-CD2 3.55Å; V85-F111 HydrophobicContact CG2-CE1 3.59Å; V85-F111 HydrophobicContact CG2-CE2 3.36Å; V85-F111 HydrophobicContact CG2-CG 3.76Å; V85-F111 HydrophobicContact CG2-CZ 3.39Å; V85-F119 HydrophobicContact CG1-CB 4.16Å
86	I	94.6	Very high	94.9	Very high	5 Å²	5	58.9 Å²	58.9	3%	0.026	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	150.4	-179.2	-169	153.9	0	0	0	110.7	L93 Y109 F119	I86-L93 HydrophobicContact CD1-CB 3.94Å; I86-L93 HydrophobicContact CD1-CD1 4.16Å; I86-L93 HydrophobicContact CD1-CD2 4.06Å; I86-L93 HydrophobicContact CD1-CG 4.27Å; I86-L93 HydrophobicContact CG1-CD2 4.36Å; I86-Y109 HydrophobicContact CG2-CD2 4.15Å; I86-Y109 PolarHBondContact N-O 3.24Å; I86-Y109 PolarHBondContact O-N 3.06Å; I86-F119 HydrophobicContact CD1-CD1 3.86Å; I86-F119 HydrophobicContact CD1-CD2 3.26Å; I86-F119 HydrophobicContact CD1-CE1 3.75Å; I86-F119 HydrophobicContact CD1-CE2 3.17Å; I86-F119 HydrophobicContact CD1-CG 3.62Å; I86-F119 HydrophobicContact CD1-CZ 3.4Å; I86-F119 VanDerWaalsContact CD1-CZ 3.4Å
87	A	96.2	Very high	95	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	152.8	169.5	0	0	0	0	0	110.4	P69 V89 W94 L96 L106 E107	P69-A87 HydrophobicContact CB-CB 3.61Å; P69-A87 HydrophobicContact CG-CB 3.85Å; A87-V89 HydrophobicContact CB-CG2 4.27Å; A87-W94 HydrophobicContact CB-CB 4.3Å; A87-W94 PolarHBondContact N-O 3.42Å; A87-W94 VanDerWaalsContact N-O 3.13Å; A87-W94 PolarHBondContact O-N 2.59Å; A87-L96 HydrophobicContact CB-CD2 3.98Å; A87-L106 HydrophobicContact CB-CD1 3.8Å; A87-E107 CarbonylContact C-O 3.58Å; A87-E107 WeakPolarHBondContact CA-O 3.45Å
88	K	96	Very high	95.2	Very high	50 Å²	50	63.7 Å²	63.7	22%	0.217	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	116.9	164.5	-166.4	179.5	-172.9	178.4	0	108.1	G91 E92 L106 E107 Y109	K88-G91 VanDerWaalsContact CE-C 3.5Å; K88-G91 WeakPolarHBondContact CE-O 3.36Å; K88-E92 CarbonylContact C-O 3.51Å; K88-E92 VanDerWaalsContact CA-O 3.24Å; K88-E92 WeakPolarHBondContact CA-O 3.29Å; K88-L106 WeakPolarHBondContact O-CA 3.41Å; K88-E107 HydrophobicContact CB-CB 4.16Å; K88-E107 PolarHBondContact N-O 3.33Å; K88-E107 PolarHBondContact O-N 2.86Å; K88-Y109 HydrophobicContact CB-CE2 3.94Å; K88-Y109 HydrophobicContact CD-CE2 3.94Å; K88-Y109 VanDerWaalsContact CD-OH 3.27Å; K88-Y109 WeakPolarHBondContact CD-OH 2.99Å
89	V	97.4	Very high	95.3	Very high	6 Å²	6	57 Å²	57	4%	0.036	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	120	-175.2	179.2	0	0	0	0	108.1	P69 A87 G91 E92 W94 F100 S105 L106	P69-V89 HydrophobicContact CG-CG2 4.33Å; A87-V89 HydrophobicContact CB-CG2 4.27Å; V89-G91 PolarHBondContact O-N 2.65Å; V89-G91 VanDerWaalsContact O-N 3.13Å; V89-E92 PolarHBondContact N-O 2.67Å; V89-E92 PolarHBondContact O-N 3.02Å; V89-W94 HydrophobicContact CB-CB 3.86Å; V89-W94 HydrophobicContact CB-CD2 4Å; V89-W94 HydrophobicContact CB-CE3 4.33Å; V89-W94 HydrophobicContact CB-CG 3.82Å; V89-W94 HydrophobicContact CG1-CD2 4.44Å; V89-W94 HydrophobicContact CG2-CB 3.53Å; V89-W94 HydrophobicContact CG2-CD2 4.15Å; V89-W94 HydrophobicContact CG2-CG 3.51Å; V89-F100 HydrophobicContact CB-CE1 4.39Å; V89-F100 HydrophobicContact CG1-CD1 3.86Å; V89-F100 HydrophobicContact CG1-CE1 3.78Å; V89-F100 HydrophobicContact CG2-CD1 4.39Å; V89-F100 HydrophobicContact CG2-CE1 3.63Å; V89-F100 HydrophobicContact CG2-CZ 4.43Å; V89-S105 VanDerWaalsContact CA-O 3.29Å; V89-S105 WeakPolarHBondContact CA-O 3.26Å; V89-L106 HydrophobicContact CG2-CD1 4.09Å
90	N	97	Very high	95.5	Very high	80 Å²	80	52.9 Å²	52.9	43%	0.428	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.1	32.1	-175.7	-59.3	-44.6	0	0	0	114.3	E92 S104 S105	N90-E92 VanDerWaalsContact C-N 3.35Å; N90-S104 WeakPolarHBondContact ND2-CB 3.48Å; N90-S104 PolarHBondContact ND2-OG 3.31Å; N90-S104 WeakPolarHBondContact OD1-CA 3.46Å; N90-S105 WeakPolarHBondContact CA-OG 3.2Å; N90-S105 PolarHBondContact N-O 3.49Å; N90-S105 VanDerWaalsContact N-O 3.13Å; N90-S105 PolarHBondContact N-OG 3.48Å; N90-S105 PolarHBondContact OD1-N 3.2Å
91	G	95	Very high	95.7	Very high	45 Å²	45	54.2 Å²	54.2	46%	0.464	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.6	-7.5	-179.2	0	0	0	0	0	115.2	K88 V89	K88-G91 VanDerWaalsContact CE-C 3.5Å; K88-G91 WeakPolarHBondContact CE-O 3.36Å; V89-G91 PolarHBondContact O-N 2.65Å; V89-G91 VanDerWaalsContact O-N 3.13Å
92	E	95.2	Very high	95.8	Very high	135 Å²	135	60.1 Å²	60.1	63%	0.631	30%	0.302	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106	147.6	-179	-63.3	-173.5	162.7	0	0	111.9	K88 V89 N90	K88-E92 CarbonylContact C-O 3.51Å; K88-E92 VanDerWaalsContact CA-O 3.24Å; K88-E92 WeakPolarHBondContact CA-O 3.29Å; V89-E92 PolarHBondContact N-O 2.67Å; V89-E92 PolarHBondContact O-N 3.02Å; N90-E92 VanDerWaalsContact C-N 3.35Å
93	L	94.4	Very high	96	Very high	73 Å²	73	59 Å²	59	38%	0.382	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	135.9	176.5	-65.9	-175.8	0	0	0	110.9	I86 D115 F119	I86-L93 HydrophobicContact CD1-CB 3.94Å; I86-L93 HydrophobicContact CD1-CD1 4.16Å; I86-L93 HydrophobicContact CD1-CD2 4.06Å; I86-L93 HydrophobicContact CD1-CG 4.27Å; I86-L93 HydrophobicContact CG1-CD2 4.36Å; L93-D115 HydrophobicContact CD2-CB 4.19Å; L93-F119 HydrophobicContact CD1-CE2 3.7Å; L93-F119 HydrophobicContact CD1-CZ 4.48Å
94	W	96.3	Very high	96.2	Very high	33 Å²	33	54.4 Å²	54.4	13%	0.125	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	139.3	-166.6	-158.6	-92.4	0	0	0	111.6	A87 V89 R98	A87-W94 HydrophobicContact CB-CB 4.3Å; A87-W94 PolarHBondContact N-O 3.42Å; A87-W94 VanDerWaalsContact N-O 3.13Å; A87-W94 PolarHBondContact O-N 2.59Å; V89-W94 HydrophobicContact CB-CB 3.86Å; V89-W94 HydrophobicContact CB-CD2 4Å; V89-W94 HydrophobicContact CB-CE3 4.33Å; V89-W94 HydrophobicContact CB-CG 3.82Å; V89-W94 HydrophobicContact CG1-CD2 4.44Å; V89-W94 HydrophobicContact CG2-CB 3.53Å; V89-W94 HydrophobicContact CG2-CD2 4.15Å; V89-W94 HydrophobicContact CG2-CG 3.51Å; W94-R98 HydrophobicContact CZ2-CG 3.67Å; W94-R98 PolarHBondContact NE1-O 2.85Å; W94-R98 VanDerWaalsContact NE1-O 3.1Å
95	D	95	Very high	96.3	Very high	80 Å²	80	55.9 Å²	55.9	43%	0.428	29%	0.289	S	S	.	.			trans	-68.8	137.5	179	-55.6	-50.3	0	0	0	110.6	L97 R98	D95-L97 PolarHBondContact O-N 2.85Å; D95-L97 VanDerWaalsContact O-N 3.11Å; D95-R98 HydrophobicContact CB-CB 3.86Å; D95-R98 PolarHBondContact O-N 2.85Å; D95-R98 IonicContact OD2-CZ 3.66Å; D95-R98 IonicContact OD2-NE 3.45Å; D95-R98 PolarHBondContact OD2-NE 2.99Å; D95-R98 IonicContact OD2-NH2 3.84Å; D95-R98 PolarHBondContact OD2-NH2 2.86Å
96	L	96.6	Very high	96.5	Very high	22 Å²	22	54.5 Å²	54.5	12%	0.115	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-26.2	-177.8	-66.1	175.1	0	0	0	113.8	P69 M70 A84 A87	P69-L96 HydrophobicContact CB-CD2 4.36Å; P69-L96 WeakPolarHBondContact CD-O 3.46Å; M70-L96 HydrophobicContact CB-CB 4.22Å; M70-L96 WeakPolarHBondContact CB-O 3.45Å; M70-L96 HydrophobicContact CE-CB 4.1Å; M70-L96 HydrophobicContact CE-CD1 3.65Å; M70-L96 HydrophobicContact CE-CG 4.42Å; M70-L96 PolarHBondContact N-O 3Å; A84-L96 HydrophobicContact CB-CD1 3.94Å; A84-L96 HydrophobicContact CB-CD2 4.2Å; A84-L96 WeakPolarHBondContact O-CD1 3.4Å; A87-L96 HydrophobicContact CB-CD2 3.98Å
97	L	96.1	Very high	96.6	Very high	136 Å²	136	57.4 Å²	57.4	71%	0.712	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.9	1.8	-179.3	-58.7	179.6	0	0	0	113.2	M70 D95	M70-L97 HydrophobicContact CB-CD2 3.99Å; M70-L97 HydrophobicContact CG-CD2 4.15Å; D95-L97 PolarHBondContact O-N 2.85Å; D95-L97 VanDerWaalsContact O-N 3.11Å
98	R	96.3	Very high	96.5	Very high	95 Å²	95	58.9 Å²	58.9	36%	0.358	30%	0.302	S	S	.	.	S	Bend	trans	-84.4	125.6	175	179.8	-175.6	-65.7	-173.7	7.9	109.2	P69 W94 D95	P69-R98 WeakPolarHBondContact CD-O 3.18Å; W94-R98 HydrophobicContact CZ2-CG 3.67Å; W94-R98 PolarHBondContact NE1-O 2.85Å; W94-R98 VanDerWaalsContact NE1-O 3.1Å; D95-R98 HydrophobicContact CB-CB 3.86Å; D95-R98 PolarHBondContact O-N 2.85Å; D95-R98 IonicContact OD2-CZ 3.66Å; D95-R98 IonicContact OD2-NE 3.45Å; D95-R98 PolarHBondContact OD2-NE 2.99Å; D95-R98 IonicContact OD2-NH2 3.84Å; D95-R98 PolarHBondContact OD2-NH2 2.86Å
99	P	97.6	Very high	96.4	Very high	12 Å²	12	57.6 Å²	57.6	8%	0.078	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-69.6	155.3	-176.3	29.8	-35.8	0	0	0	112.3	V42 W65 T67 T68	V42-P99 HydrophobicContact CG1-CG 4.46Å; W65-P99 HydrophobicContact CE3-CG 4.45Å; T67-P99 CarbonylContact O-C 3.46Å; T67-P99 WeakPolarHBondContact O-CA 3.38Å; T68-P99 HydrophobicContact CG2-CB 4.34Å
100	F	97.8	Very high	96	Very high	1 Å²	1	59.9 Å²	59.9	0%	0.004	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-70.4	138.7	171.1	-64.1	-75.1	0	0	0	110.5	I52 A64 W65 T67 P69 V72 V89 L106	I52-F100 HydrophobicContact CD1-CD2 4.2Å; I52-F100 HydrophobicContact CG1-CD1 4.39Å; I52-F100 HydrophobicContact CG1-CD2 3.8Å; I52-F100 HydrophobicContact CG1-CE1 4.38Å; I52-F100 HydrophobicContact CG1-CE2 3.82Å; I52-F100 HydrophobicContact CG1-CG 4.11Å; I52-F100 HydrophobicContact CG1-CZ 4.12Å; I52-F100 HydrophobicContact CG2-CE2 4.5Å; I52-F100 HydrophobicContact CG2-CZ 4.15Å; A64-F100 CarbonylContact C-O 3.54Å; A64-F100 VanDerWaalsContact CA-O 3.26Å; A64-F100 WeakPolarHBondContact CA-O 3.34Å; W65-F100 PolarHBondContact N-O 3.45Å; T67-F100 HydrophobicContact CG2-CD2 4.17Å; T67-F100 HydrophobicContact CG2-CE2 4.4Å; T67-F100 WeakPolarHBondContact O-CD2 3.47Å; T67-F100 PolarHBondContact O-N 3.06Å; P69-F100 HydrophobicContact CB-CZ 4.19Å; P69-F100 HydrophobicContact CG-CE1 4.21Å; P69-F100 HydrophobicContact CG-CE2 4.18Å; P69-F100 HydrophobicContact CG-CZ 3.7Å; V72-F100 HydrophobicContact CG2-CE2 3.99Å; V89-F100 HydrophobicContact CB-CE1 4.39Å; V89-F100 HydrophobicContact CG1-CD1 3.86Å; V89-F100 HydrophobicContact CG1-CE1 3.78Å; V89-F100 HydrophobicContact CG2-CD1 4.39Å; V89-F100 HydrophobicContact CG2-CE1 3.63Å; V89-F100 HydrophobicContact CG2-CZ 4.43Å; F100-L106 HydrophobicContact CE1-CD1 4.47Å; F100-L106 HydrophobicContact CZ-CB 4.41Å; F100-L106 HydrophobicContact CZ-CD1 4.1Å; F100-L106 HydrophobicContact CZ-CD2 4.03Å; F100-L106 HydrophobicContact CZ-CG 4.4Å
101	E	96.8	Very high	95.4	Very high	84 Å²	84	61.8 Å²	61.8	39%	0.393	31%	0.312	S	S	.	.			trans	-96.4	-22.7	180	-55.7	178.8	-176.5	0	0	112.3	A64 W65	A64-E101 WeakPolarHBondContact CB-O 3.22Å; W65-E101 HydrophobicContact CD2-CG 4.31Å; W65-E101 HydrophobicContact CE3-CG 4.33Å; W65-E101 HydrophobicContact CH2-CB 4.43Å; W65-E101 VanDerWaalsContact CH2-CD 3.43Å; W65-E101 HydrophobicContact CH2-CG 3.6Å; W65-E101 WeakPolarHBondContact CH2-OE1 3.18Å; W65-E101 HydrophobicContact CZ2-CB 3.92Å; W65-E101 HydrophobicContact CZ2-CG 3.58Å; W65-E101 HydrophobicContact CZ3-CG 3.99Å
102	K	97.2	Very high	94.9	Very high	135 Å²	135	65.8 Å²	65.8	59%	0.587	32%	0.323	S	S	*	.	S	Bend	trans	-159.5	175.3	-173.2	60.9	-176.1	179.4	-171.8	0	110.3	S104	K102-S104 PolarHBondContact O-N 3.38Å; K102-S104 PolarHBondContact O-OG 3.15Å
103	N	98	Very high	94.2	Very high	94 Å²	94	62.2 Å²	62.2	50%	0.503	31%	0.306	S	S	.	.	S	Bend	trans	-50.1	130	170.5	-64.3	-7.8	0	0	0	110.2	V50 Q51	V50-N103 VanDerWaalsContact CA-OD1 3.25Å; V50-N103 WeakPolarHBondContact CA-OD1 3.29Å; Q51-N103 PolarHBondContact N-OD1 3.08Å; Q51-N103 VanDerWaalsContact O-CA 3.26Å; Q51-N103 WeakPolarHBondContact O-CA 3.35Å
104	S	97.8	Very high	93.5	Very high	8 Å²	8	65.3 Å²	65.3	6%	0.056	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	149.4	-170.1	-60.9	0	0	0	0	112.8	Q51 I52 T53 N90 K102	Q51-S104 PolarHBondContact O-N 3.04Å; I52-S104 CarbonylContact C-O 3.47Å; I52-S104 VanDerWaalsContact CA-O 3.29Å; I52-S104 WeakPolarHBondContact CA-O 3.41Å; T53-S104 PolarHBondContact N-O 3.06Å; N90-S104 WeakPolarHBondContact ND2-CB 3.48Å; N90-S104 PolarHBondContact ND2-OG 3.31Å; N90-S104 WeakPolarHBondContact OD1-CA 3.46Å; K102-S104 PolarHBondContact O-N 3.38Å; K102-S104 PolarHBondContact O-OG 3.15Å
105	S	97.8	Very high	92.4	Very high	48 Å²	48	65.3 Å²	65.3	34%	0.336	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	145.2	160.5	62.8	0	0	0	0	110	T53 V89 N90	T53-S105 CarbonylContact O-C 3.55Å; T53-S105 WeakPolarHBondContact O-CA 3.4Å; V89-S105 VanDerWaalsContact CA-O 3.29Å; V89-S105 WeakPolarHBondContact CA-O 3.26Å; N90-S105 WeakPolarHBondContact CA-OG 3.2Å; N90-S105 PolarHBondContact N-O 3.49Å; N90-S105 VanDerWaalsContact N-O 3.13Å; N90-S105 PolarHBondContact N-OG 3.48Å; N90-S105 PolarHBondContact OD1-N 3.2Å
106	L	97.9	Very high	91.1	Very high	2 Å²	2	61.5 Å²	61.5	1%	0.01	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	126.3	177.8	173.7	64.7	0	0	0	110.7	I52 T53 L54 P55 P69 V72 A87 K88 V89 F100 I108	I52-L106 HydrophobicContact CG2-CB 3.53Å; I52-L106 HydrophobicContact CG2-CD2 4.01Å; I52-L106 HydrophobicContact CG2-CG 4.42Å; T53-L106 PolarHBondContact O-N 3.23Å; L54-L106 HydrophobicContact CD2-CB 4.23Å; L54-L106 HydrophobicContact CD2-CD2 3.95Å; L54-L106 HydrophobicContact CD2-CG 4.29Å; P55-L106 VanDerWaalsContact CD-O 3.3Å; P55-L106 WeakPolarHBondContact CD-O 3.48Å; P69-L106 HydrophobicContact CB-CD1 3.94Å; P69-L106 HydrophobicContact CG-CD1 4.39Å; V72-L106 HydrophobicContact CB-CD2 3.8Å; V72-L106 HydrophobicContact CG1-CD2 3.57Å; V72-L106 HydrophobicContact CG2-CD2 4.34Å; A87-L106 HydrophobicContact CB-CD1 3.8Å; K88-L106 WeakPolarHBondContact O-CA 3.41Å; V89-L106 HydrophobicContact CG2-CD1 4.09Å; F100-L106 HydrophobicContact CE1-CD1 4.47Å; F100-L106 HydrophobicContact CZ-CB 4.41Å; F100-L106 HydrophobicContact CZ-CD1 4.1Å; F100-L106 HydrophobicContact CZ-CD2 4.03Å; F100-L106 HydrophobicContact CZ-CG 4.4Å; L106-I108 HydrophobicContact CD1-CG1 4.05Å; L106-I108 HydrophobicContact CD2-CD1 4.15Å; L106-I108 HydrophobicContact CD2-CG1 4.19Å; L106-I108 HydrophobicContact CG-CG1 4.05Å
107	E	95.7	Very high	90	Very high	66 Å²	66	66.8 Å²	66.8	31%	0.308	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	141.6	161.9	-55.1	172	-120.5	0	0	108.7	P55 A87 K88 Y109	P55-E107 HydrophobicContact CG-CB 4.45Å; P55-E107 HydrophobicContact CG-CG 3.89Å; A87-E107 CarbonylContact C-O 3.58Å; A87-E107 WeakPolarHBondContact CA-O 3.45Å; K88-E107 HydrophobicContact CB-CB 4.16Å; K88-E107 PolarHBondContact N-O 3.33Å; K88-E107 PolarHBondContact O-N 2.86Å; E107-Y109 HydrophobicContact CB-CE1 3.86Å; E107-Y109 VanDerWaalsContact CD-OH 3.28Å; E107-Y109 PolarHBondContact OE2-OH 3.45Å
108	I	94.9	Very high	88.8	Confident	32 Å²	32	66.7 Å²	66.7	16%	0.164	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	126.6	178.2	-56.9	-175.4	0	0	0	108	A73 L80 A84 L106	A73-I108 HydrophobicContact CB-CD1 3.48Å; A73-I108 VanDerWaalsContact CB-CD1 3.48Å; L80-I108 HydrophobicContact CD1-CB 4.44Å; L80-I108 HydrophobicContact CD1-CG2 4.18Å; L80-I108 HydrophobicContact CD2-CD1 4.2Å; A84-I108 HydrophobicContact CB-CG2 3.58Å; L106-I108 HydrophobicContact CD1-CG1 4.05Å; L106-I108 HydrophobicContact CD2-CD1 4.15Å; L106-I108 HydrophobicContact CD2-CG1 4.19Å; L106-I108 HydrophobicContact CG-CG1 4.05Å
109	Y	93	Very high	87.2	Confident	22 Å²	22	66.7 Å²	66.7	9%	0.086	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	139.8	-178.1	-61.1	-32.7	0	0	0	111.6	V85 I86 K88 E107 H113 D115	V85-Y109 PolarHBondContact N-O 3.46Å; I86-Y109 HydrophobicContact CG2-CD2 4.15Å; I86-Y109 PolarHBondContact N-O 3.24Å; I86-Y109 PolarHBondContact O-N 3.06Å; K88-Y109 HydrophobicContact CB-CE2 3.94Å; K88-Y109 HydrophobicContact CD-CE2 3.94Å; K88-Y109 VanDerWaalsContact CD-OH 3.27Å; K88-Y109 WeakPolarHBondContact CD-OH 2.99Å; E107-Y109 HydrophobicContact CB-CE1 3.86Å; E107-Y109 VanDerWaalsContact CD-OH 3.28Å; E107-Y109 PolarHBondContact OE2-OH 3.45Å; Y109-H113 HydrophobicContact CD1-CB 4.19Å; Y109-H113 AromaticContact CD1-CG 3.79Å; Y109-H113 AromaticContact CD1-ND1 3.79Å; Y109-H113 AromaticContact CD2-CE1 3.91Å; Y109-H113 AromaticContact CD2-ND1 3.4Å; Y109-H113 WeakPolarHBondContact CD2-ND1 3.16Å; Y109-H113 AromaticContact CE1-CE1 3.89Å; Y109-H113 AromaticContact CE1-ND1 3.98Å; Y109-H113 AromaticContact CE2-CE1 3.56Å; Y109-H113 AromaticContact CE2-ND1 3.56Å; Y109-H113 HydrophobicContact CG-CB 4.02Å; Y109-H113 AromaticContact CG-CG 3.79Å; Y109-H113 AromaticContact CG-ND1 3.52Å; Y109-H113 AromaticContact CZ-CE1 3.57Å; Y109-H113 AromaticContact CZ-ND1 3.87Å; Y109-D115 HydrophobicContact CD2-CB 3.91Å; Y109-D115 HydrophobicContact CE2-CB 4.13Å
110	N	89.5	Confident	85.1	Confident	54 Å²	54	70.1 Å²	70.1	29%	0.289	34%	0.343	S	S	.	.			trans	-99.4	-175.1	168.7	71	-2.8	0	0	0	110	H83 D112 H113	H83-N110 HydrophobicContact CB-CB 4.33Å; H83-N110 WeakPolarHBondContact O-CA 3.39Å; H83-N110 WeakPolarHBondContact O-CB 3.39Å; N110-D112 PolarHBondContact ND2-OD2 2.93Å; N110-D112 PolarHBondContact O-N 3.35Å; N110-D112 WeakPolarHBondContact OD1-CB 3.4Å; N110-D112 PolarHBondContact OD1-N 2.95Å; N110-H113 PolarHBondContact O-N 2.79Å; N110-H113 PolarHBondContact OD1-N 2.89Å
111	F	84.9	Confident	82.6	Confident	120 Å²	120	80.2 Å²	80.2	53%	0.526	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-15.6	178.2	-66	-71	0	0	0	114.9	V85 H113 R117	V85-F111 HydrophobicContact CB-CE1 4.4Å; V85-F111 HydrophobicContact CB-CZ 4.45Å; V85-F111 HydrophobicContact CG1-CD1 4.37Å; V85-F111 HydrophobicContact CG1-CE1 3.88Å; V85-F111 HydrophobicContact CG1-CZ 4.2Å; V85-F111 HydrophobicContact CG2-CD1 3.78Å; V85-F111 HydrophobicContact CG2-CD2 3.55Å; V85-F111 HydrophobicContact CG2-CE1 3.59Å; V85-F111 HydrophobicContact CG2-CE2 3.36Å; V85-F111 HydrophobicContact CG2-CG 3.76Å; V85-F111 HydrophobicContact CG2-CZ 3.39Å; F111-H113 VanDerWaalsContact C-N 3.27Å; F111-H113 PolarHBondContact O-N 3.26Å; F111-R117 WeakPolarHBondContact O-CG 3.38Å; F111-R117 PolarHBondContact O-NH1 3.05Å
112	D	83.7	Confident	81.9	Confident	130 Å²	130	80.1 Å²	80.1	70%	0.695	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-22.8	177.3	-56.4	-42.8	0	0	0	111.7	N110 R117	N110-D112 PolarHBondContact ND2-OD2 2.93Å; N110-D112 PolarHBondContact O-N 3.35Å; N110-D112 WeakPolarHBondContact OD1-CB 3.4Å; N110-D112 PolarHBondContact OD1-N 2.95Å; D112-R117 VanDerWaalsContact C-NH1 3.27Å; D112-R117 PolarHBondContact O-NH1 3.38Å
113	H	81.5	Confident	81.1	Confident	60 Å²	60	77.2 Å²	77.2	28%	0.278	40%	0.396	S	S	.	.	S	Bend	trans	-80.6	142.4	174.6	-162.8	-103.7	0	0	0	111.3	Y109 N110 F111 D115 G116 R117	Y109-H113 HydrophobicContact CD1-CB 4.19Å; Y109-H113 AromaticContact CD1-CG 3.79Å; Y109-H113 AromaticContact CD1-ND1 3.79Å; Y109-H113 AromaticContact CD2-CE1 3.91Å; Y109-H113 AromaticContact CD2-ND1 3.4Å; Y109-H113 WeakPolarHBondContact CD2-ND1 3.16Å; Y109-H113 AromaticContact CE1-CE1 3.89Å; Y109-H113 AromaticContact CE1-ND1 3.98Å; Y109-H113 AromaticContact CE2-CE1 3.56Å; Y109-H113 AromaticContact CE2-ND1 3.56Å; Y109-H113 HydrophobicContact CG-CB 4.02Å; Y109-H113 AromaticContact CG-CG 3.79Å; Y109-H113 AromaticContact CG-ND1 3.52Å; Y109-H113 AromaticContact CZ-CE1 3.57Å; Y109-H113 AromaticContact CZ-ND1 3.87Å; N110-H113 PolarHBondContact O-N 2.79Å; N110-H113 PolarHBondContact OD1-N 2.89Å; F111-H113 VanDerWaalsContact C-N 3.27Å; F111-H113 PolarHBondContact O-N 3.26Å; H113-D115 IonicContact CE1-OD2 3.64Å; H113-D115 PolarHBondContact CE1-OD2 3.2Å; H113-D115 VanDerWaalsContact CE1-OD2 3.27Å; H113-D115 PolarHBondContact ND1-N 3.4Å; H113-D115 IonicContact ND1-OD2 3.27Å; H113-D115 PolarHBondContact O-N 2.82Å; H113-G116 PolarHBondContact O-N 3.35Å; H113-R117 PolarHBondContact O-N 3.43Å; H113-R117 VanDerWaalsContact O-N 3.08Å
114	K	79.3	Confident	80.2	Confident	138 Å²	138	76.2 Å²	76.2	60%	0.6	39%	0.39	S	S	*	.	H	α-helix	trans	-54.8	-38.2	179.5	59.2	171.8	-171.2	179.1	0	112.8	R117 L118	K114-R117 PolarHBondContact O-N 2.96Å; K114-L118 PolarHBondContact O-N 3.19Å
115	D	73.7	Confident	79.1	Confident	32 Å²	32	80.2 Å²	80.2	17%	0.171	41%	0.41	C	S	.	.	H	α-helix	trans	-76.9	-28.4	-177.7	-60	-20.9	0	0	0	111.1	L93 Y109 H113 L118	L93-D115 HydrophobicContact CD2-CB 4.19Å; Y109-D115 HydrophobicContact CD2-CB 3.91Å; Y109-D115 HydrophobicContact CE2-CB 4.13Å; H113-D115 IonicContact CE1-OD2 3.64Å; H113-D115 PolarHBondContact CE1-OD2 3.2Å; H113-D115 VanDerWaalsContact CE1-OD2 3.27Å; H113-D115 PolarHBondContact ND1-N 3.4Å; H113-D115 IonicContact ND1-OD2 3.27Å; H113-D115 PolarHBondContact O-N 2.82Å; D115-L118 PolarHBondContact O-N 3.38Å
116	G	66.5	Low	78	Confident	0 Å²	0	82.3 Å²	82.3	0%	0	41%	0.414	C	S	.	.	H	α-helix	trans	-71	-33.7	172.2	0	0	0	0	0	112.6	H113 L118 F119	H113-G116 PolarHBondContact O-N 3.35Å; G116-L118 VanDerWaalsContact C-N 3.32Å; G116-L118 PolarHBondContact O-N 3.26Å; G116-F119 PolarHBondContact O-N 3.43Å
117	R	74.3	Confident	76.6	Confident	134 Å²	134	87.6 Å²	87.6	51%	0.506	44%	0.441	S	S	.	.	H	α-helix	trans	-65.8	-32.6	173.2	-69.3	-167.6	-71.5	-79.5	4.5	113.4	F111 D112 H113 K114 F119 S120	F111-R117 WeakPolarHBondContact O-CG 3.38Å; F111-R117 PolarHBondContact O-NH1 3.05Å; D112-R117 VanDerWaalsContact C-NH1 3.27Å; D112-R117 PolarHBondContact O-NH1 3.38Å; H113-R117 PolarHBondContact O-N 3.43Å; H113-R117 VanDerWaalsContact O-N 3.08Å; K114-R117 PolarHBondContact O-N 2.96Å; R117-F119 PolarHBondContact O-N 3.11Å; R117-S120 PolarHBondContact O-N 3.06Å; R117-S120 PolarHBondContact O-OG 3.13Å
118	L	70.2	Confident	75.3	Confident	134 Å²	134	89.1 Å²	89.1	70%	0.702	45%	0.451	S	S	*	.	H	α-helix	trans	-65.4	-24.1	-179.7	-171.3	64.3	0	0	0	112.3	K114 D115 G116	K114-L118 PolarHBondContact O-N 3.19Å; D115-L118 PolarHBondContact O-N 3.38Å; G116-L118 VanDerWaalsContact C-N 3.32Å; G116-L118 PolarHBondContact O-N 3.26Å
119	F	62.5	Low	73.8	Confident	95 Å²	95	93.5 Å²	93.5	42%	0.417	47%	0.473	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.3	10.6	-179.2	-88	-99.5	0	0	0	114.4	V85 I86 L93 G116 R117 V121	V85-F119 HydrophobicContact CG1-CB 4.16Å; I86-F119 HydrophobicContact CD1-CD1 3.86Å; I86-F119 HydrophobicContact CD1-CD2 3.26Å; I86-F119 HydrophobicContact CD1-CE1 3.75Å; I86-F119 HydrophobicContact CD1-CE2 3.17Å; I86-F119 HydrophobicContact CD1-CG 3.62Å; I86-F119 HydrophobicContact CD1-CZ 3.4Å; I86-F119 VanDerWaalsContact CD1-CZ 3.4Å; L93-F119 HydrophobicContact CD1-CE2 3.7Å; L93-F119 HydrophobicContact CD1-CZ 4.48Å; G116-F119 PolarHBondContact O-N 3.43Å; R117-F119 PolarHBondContact O-N 3.11Å; F119-V121 PolarHBondContact O-N 2.92Å
120	S	54.9	Low	72.2	Confident	83 Å²	83	99.5 Å²	99.5	58%	0.58	51%	0.505	S	S	*	.			trans	-76.3	107.3	166.9	74.2	0	0	0	0	109.8	R117	R117-S120 PolarHBondContact O-N 3.06Å; R117-S120 PolarHBondContact O-OG 3.13Å
121	V	45	Very low	70.6	Confident	214 Å²	214	103.6 Å²	103.6	100%	1.297	53%	0.525	S	S	*	.			trans	-92	0	166.2	-115.8	0	0	0	0	110.7	F119	F119-V121 PolarHBondContact O-N 2.92Å

Retrieved 121 of 121 residues in 283 ms (Link to these results)

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