A0A087XMV7_POEFO Loading...

Histidine triad nucleotide binding protein 2

AlphaFold DB , UniProt , Accession A0A087XMV7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 164 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36	Very low	32.5	Very low	237 Å²	237	176.5 Å²	176.5	100%	1.167	81%	0.81	S	S	*	*				0	92.7	0	-74.1	171.2	157.5	0	0	106.4
2	Y	30.2	Very low	33	Very low	196 Å²	196	173.5 Å²	173.5	77%	0.769	81%	0.814	S	S	*	*				51.2	119.7	87.9	-90.4	-83.6	0	0	0	111.4
3	F	33.4	Very low	32.7	Very low	181 Å²	181	165.6 Å²	165.6	79%	0.794	81%	0.808	S	S	*	*			cis	-149.3	145	36.2	-90.8	-104.6	0	0	0	109.2
4	R	33.4	Very low	33.1	Very low	200 Å²	200	163.4 Å²	163.4	76%	0.755	81%	0.809	S	S	*	*				76.5	120	59.8	-111.3	-169.8	175.3	172.7	-0.3	117.4
5	N	30.7	Very low	33.3	Very low	126 Å²	126	169.3 Å²	169.3	67%	0.674	82%	0.818	S	S	*	*			trans	84.6	150.9	148.8	-64	-13.5	0	0	0	121.9
6	I	34.5	Very low	33.6	Very low	119 Å²	119	163.6 Å²	163.6	61%	0.61	81%	0.808	S	S	*	*			cis	-175	146.5	-19	-95.3	160.8	0	0	0	105.1
7	F	32.7	Very low	33.7	Very low	180 Å²	180	161.8 Å²	161.8	79%	0.789	81%	0.813	S	S	*	*			trans	150.5	109.1	136.5	-84.9	-67.8	0	0	0	111.2
8	R	30.4	Very low	33.9	Very low	223 Å²	223	161.5 Å²	161.5	84%	0.842	81%	0.813	S	S	*	*				62.2	116.8	104.9	-131.9	-177	-171.6	-167.4	1.6	112.5
9	T	29.8	Very low	34.3	Very low	121 Å²	121	163.5 Å²	163.5	74%	0.742	82%	0.817	S	S	*	*				168.4	142.9	77	-17.4	0	0	0	0	103
10	Q	31.8	Very low	34.2	Very low	181 Å²	181	160.8 Å²	160.8	85%	0.846	81%	0.805	S	S	*	*				176.3	128.3	66.6	-131.1	164.8	-6.4	0	0	105.9
11	L	34.8	Very low	34.3	Very low	177 Å²	177	158.4 Å²	158.4	93%	0.927	80%	0.801	S	S	*	*			trans	-85.1	126.9	173.7	-83.6	154.4	0	0	0	109.3
12	V	38.4	Very low	34.1	Very low	141 Å²	141	154.2 Å²	154.2	86%	0.855	78%	0.783	S	S	*	*			trans	-79.8	115.4	171.1	178.1	0	0	0	0	108.2
13	G	29.6	Very low	34.3	Very low	71 Å²	71	153.8 Å²	153.8	73%	0.732	79%	0.787	S	S	*	*			trans	-88.1	111.8	-179.9	0	0	0	0	0	112.7
14	T	37.1	Very low	34.6	Very low	135 Å²	135	155.8 Å²	155.8	83%	0.828	79%	0.79	S	S	*	*			trans	-80.4	113.3	157.1	40.6	0	0	0	0	108.7	A16	T14-A16 PolarHBondContact O-N 3.1Å
15	R	36.8	Very low	34.8	Very low	251 Å²	251	152 Å²	152	95%	0.947	79%	0.789	S	S	*	*			trans	-69	99.4	175.2	-78.8	-178	173.4	-171.2	-1.8	109.9
16	A	37.8	Very low	34.8	Very low	78 Å²	78	157.4 Å²	157.4	65%	0.645	80%	0.801	S	S	*	*			trans	-65.3	129.6	156.1	0	0	0	0	0	108.7	T14 L18	T14-A16 PolarHBondContact O-N 3.1Å; A16-L18 VanDerWaalsContact C-N 3.31Å; A16-L18 PolarHBondContact O-N 2.9Å
17	C	36.1	Very low	35.6	Very low	133 Å²	133	158.5 Å²	158.5	90%	0.899	80%	0.798	S	S	*	*			trans	-62.7	94.6	166	-74.7	0	0	0	0	108.5	F19	C17-F19 PolarHBondContact O-N 3.06Å; C17-F19 VanDerWaalsContact O-N 3.1Å
18	L	36.4	Very low	36.1	Very low	157 Å²	157	153.7 Å²	153.7	82%	0.822	79%	0.791	S	S	*	*			trans	-68.9	105.1	171	-70.3	167.1	0	0	0	108.1	A16 N20	A16-L18 VanDerWaalsContact C-N 3.31Å; A16-L18 PolarHBondContact O-N 2.9Å; L18-N20 PolarHBondContact O-N 3.34Å; L18-N20 VanDerWaalsContact O-N 3.13Å
19	F	41.7	Very low	37.2	Very low	200 Å²	200	152.7 Å²	152.7	88%	0.877	80%	0.796	S	S	*	*			trans	-50.5	113.4	155.7	-108.1	-101.8	0	0	0	107.4	C17 P21	C17-F19 PolarHBondContact O-N 3.06Å; C17-F19 VanDerWaalsContact O-N 3.1Å; F19-P21 WeakPolarHBondContact O-CD 3.39Å
20	N	32.5	Very low	38.8	Very low	109 Å²	109	152.8 Å²	152.8	58%	0.583	78%	0.783	S	S	*	*			trans	-89.8	105.1	176.4	-167.6	2.4	0	0	0	108.6	L18 L22	L18-N20 PolarHBondContact O-N 3.34Å; L18-N20 VanDerWaalsContact O-N 3.13Å; N20-L22 PolarHBondContact O-N 3.13Å; N20-L22 VanDerWaalsContact O-N 3.14Å
21	P	36	Very low	41	Very low	111 Å²	111	149.5 Å²	149.5	72%	0.721	78%	0.78	S	S	*	*	G	3₁₀ helix	trans	-75.6	1.6	-175.7	-9.9	28.5	0	0	0	113.2	F19	F19-P21 WeakPolarHBondContact O-CD 3.39Å
22	L	32.4	Very low	43	Very low	149 Å²	149	145.2 Å²	145.2	78%	0.78	76%	0.757	S	S	*	*	G	3₁₀ helix	trans	-96.2	5.3	-165	-69.2	169.1	0	0	0	115.8	N20	N20-L22 PolarHBondContact O-N 3.13Å; N20-L22 VanDerWaalsContact O-N 3.14Å
23	Q	34.4	Very low	44.9	Very low	186 Å²	186	139.7 Å²	139.7	87%	0.869	73%	0.725	S	S	*	*	G	3₁₀ helix	trans	-90.8	3.2	172.8	-83.8	-173.3	-33.5	0	0	114.5	V25	Q23-V25 PolarHBondContact O-N 3.14Å
24	R	39.8	Very low	47	Very low	224 Å²	224	139.6 Å²	139.6	85%	0.845	71%	0.71	S	S	*	*	S	Bend	trans	-87	7.3	-173.2	-159	170.5	176.3	-167.2	-0.9	115.6
25	V	36.4	Very low	48.5	Very low	121 Å²	121	138.9 Å²	138.9	73%	0.733	70%	0.695	S	S	*	*			trans	-139.7	79	-173.9	-167.2	0	0	0	0	111.5	Q23	Q23-V25 PolarHBondContact O-N 3.14Å
26	Y	31.6	Very low	49.9	Very low	238 Å²	238	130 Å²	130	93%	0.933	67%	0.672	S	S	*	*			trans	-157.8	69.2	151.5	-96.8	-75.2	0	0	0	108.4
27	R	50.4	Low	52.1	Low	142 Å²	142	129.1 Å²	129.1	54%	0.536	66%	0.656	S	S	.	*			trans	-94.2	93.6	163.7	-148.7	179.7	-158.3	178.1	11.9	106.3	E29 I88 E126	R27-E29 PolarHBondContact O-N 3.47Å; R27-I88 VanDerWaalsContact NH2-CD1 3.33Å; R27-I88 VanDerWaalsContact NH2-CG1 3.27Å; R27-E126 IonicContact NH2-OE2 2.87Å; R27-E126 PolarHBondContact NH2-OE2 2.6Å
28	A	43.4	Very low	54.4	Low	79 Å²	79	124 Å²	124	65%	0.653	62%	0.619	S	S	*	*			trans	-54.4	126.2	169.1	0	0	0	0	0	107.9	R30	A28-R30 PolarHBondContact O-N 3.25Å
29	E	54.6	Low	56.9	Low	203 Å²	203	119.9 Å²	119.9	95%	0.949	60%	0.6	S	S	*	*			trans	-60.3	103	174.8	-72.2	-178.1	159.6	0	0	108.2	R27	R27-E29 PolarHBondContact O-N 3.47Å
30	R	63	Low	59.2	Low	123 Å²	123	116.2 Å²	116.2	46%	0.464	58%	0.584	S	S	.	*	P	Polyproline II helix	trans	-80.9	130.5	174.1	-67.6	-172.7	-177.6	177.1	5.8	108.1	A28 L32 D68 P84	A28-R30 PolarHBondContact O-N 3.25Å; R30-L32 PolarHBondContact O-N 3.04Å; R30-D68 IonicContact CZ-OD2 3.55Å; R30-D68 IonicContact NH2-OD2 2.66Å; R30-D68 PolarHBondContact NH2-OD2 2.86Å; R30-P84 HydrophobicContact CB-CG 4.01Å
31	S	77.2	Confident	61.9	Low	111 Å²	111	114.5 Å²	114.5	78%	0.776	58%	0.575	S	S	*	*	P	Polyproline II helix	trans	-58.6	131.3	173.2	-170.2	0	0	0	0	110
32	L	77.8	Confident	64.5	Low	87 Å²	87	109.2 Å²	109.2	46%	0.455	54%	0.54	S	S	.	.	P	Polyproline II helix	trans	-78.1	135.8	176.7	-63.8	176.3	0	0	0	109.9	R30 P84	R30-L32 PolarHBondContact O-N 3.04Å; L32-P84 CarbonylContact C-O 3.59Å; L32-P84 VanDerWaalsContact CA-O 3.25Å; L32-P84 WeakPolarHBondContact CA-O 3.31Å; L32-P84 HydrophobicContact CD2-CB 4.23Å; L32-P84 HydrophobicContact CD2-CG 4.4Å; L32-P84 WeakPolarHBondContact CD2-O 3.45Å
33	C	77.1	Confident	67.3	Low	25 Å²	25	106 Å²	106	17%	0.169	52%	0.521	C	S	.	.	P	Polyproline II helix	trans	-80.8	163.3	176.8	172.1	0	0	0	0	111	D37 P84 Q85	C33-D37 VanDerWaalsContact SG-CB 3.58Å; C33-D37 PolarHBondContact SG-OD2 3.23Å; C33-P84 PolarHBondContact N-O 3.29Å; C33-Q85 PolarHBondContact O-OE1 3.09Å; C33-Q85 PolarHBondContact SG-NE2 2.88Å
34	T	75.1	Confident	70.1	Confident	69 Å²	69	101.6 Å²	101.6	42%	0.423	50%	0.501	S	S	.	.	P	Polyproline II helix	trans	-100.3	152.6	-177.5	73.6	0	0	0	0	112	S36 D37	T34-S36 PolarHBondContact O-N 2.8Å; T34-S36 PolarHBondContact OG1-OG 3.13Å; T34-D37 PolarHBondContact N-OD2 3.45Å; T34-D37 WeakPolarHBondContact O-CB 3.45Å; T34-D37 PolarHBondContact O-N 3Å; T34-D37 VanDerWaalsContact O-N 3.1Å; T34-D37 PolarHBondContact OG1-OD1 2.85Å; T34-D37 PolarHBondContact OG1-OD2 2.97Å
35	K	68.1	Low	72.5	Confident	120 Å²	120	91.1 Å²	91.1	52%	0.522	46%	0.462	S	S	.	.	H	α-helix	trans	-56.7	-34.3	176.9	-65.8	-176.5	180	-174.9	0	113.3	D37 E38 V39 G164	K35-D37 PolarHBondContact O-N 3.38Å; K35-E38 PolarHBondContact O-N 3.12Å; K35-V39 PolarHBondContact O-N 2.97Å; K35-G164 WeakPolarHBondContact CD-OXT 3.24Å; K35-G164 VanDerWaalsContact CE-OXT 3.23Å; K35-G164 WeakPolarHBondContact CE-OXT 3.48Å; K35-G164 PolarHBondContact NZ-OXT 3.39Å
36	S	66.5	Low	75	Confident	65 Å²	65	87 Å²	87	46%	0.455	44%	0.439	S	S	.	.	H	α-helix	trans	-65.1	-22.8	-179.7	45.2	0	0	0	0	113.6	T34 K40	T34-S36 PolarHBondContact O-N 2.8Å; T34-S36 PolarHBondContact OG1-OG 3.13Å; S36-K40 WeakPolarHBondContact O-CG 3.43Å; S36-K40 PolarHBondContact O-N 3.39Å
37	D	83.9	Confident	77.9	Confident	60 Å²	60	83.6 Å²	83.6	32%	0.321	43%	0.429	S	S	.	.	H	α-helix	trans	-75.4	-45.2	-179	-56.9	-34.3	0	0	0	110.4	C33 T34 K35 V39 K40 L41	C33-D37 VanDerWaalsContact SG-CB 3.58Å; C33-D37 PolarHBondContact SG-OD2 3.23Å; T34-D37 PolarHBondContact N-OD2 3.45Å; T34-D37 WeakPolarHBondContact O-CB 3.45Å; T34-D37 PolarHBondContact O-N 3Å; T34-D37 VanDerWaalsContact O-N 3.1Å; T34-D37 PolarHBondContact OG1-OD1 2.85Å; T34-D37 PolarHBondContact OG1-OD2 2.97Å; K35-D37 PolarHBondContact O-N 3.38Å; D37-V39 PolarHBondContact O-N 3.27Å; D37-K40 PolarHBondContact O-N 3.2Å; D37-L41 VanDerWaalsContact O-CG 3.32Å; D37-L41 WeakPolarHBondContact O-CG 3.45Å; D37-L41 PolarHBondContact O-N 3Å
38	E	85.1	Confident	79.6	Confident	25 Å²	25	84.1 Å²	84.1	12%	0.117	43%	0.431	C	S	.	.	H	α-helix	trans	-62.6	-40.8	178.2	-71.1	-58.9	155	0	0	112.7	K35 K40 L41 A42 S145	K35-E38 PolarHBondContact O-N 3.12Å; E38-K40 VanDerWaalsContact C-N 3.35Å; E38-K40 PolarHBondContact O-N 2.67Å; E38-L41 PolarHBondContact O-N 3.19Å; E38-A42 WeakPolarHBondContact O-CB 3.22Å; E38-A42 PolarHBondContact O-N 3.35Å; E38-S145 PolarHBondContact OE2-OG 3.39Å
39	V	88	Confident	81.7	Confident	70 Å²	70	85.6 Å²	85.6	42%	0.424	42%	0.42	S	S	.	.	H	α-helix	trans	-60.1	-47.2	177.5	176.8	0	0	0	0	110.4	K35 D37 A42 E43	K35-V39 PolarHBondContact O-N 2.97Å; D37-V39 PolarHBondContact O-N 3.27Å; V39-A42 PolarHBondContact O-N 3.25Å; V39-E43 WeakPolarHBondContact O-CG 3.38Å; V39-E43 PolarHBondContact O-N 2.88Å
40	K	90.7	Very high	83	Confident	123 Å²	123	79.2 Å²	79.2	54%	0.535	41%	0.409	S	S	.	.	H	α-helix	trans	-62.7	-44.9	178.1	-70.1	172.5	-174.2	173.5	0	111.9	S36 D37 E38 A42 E43 E44	S36-K40 WeakPolarHBondContact O-CG 3.43Å; S36-K40 PolarHBondContact O-N 3.39Å; D37-K40 PolarHBondContact O-N 3.2Å; E38-K40 VanDerWaalsContact C-N 3.35Å; E38-K40 PolarHBondContact O-N 2.67Å; K40-A42 VanDerWaalsContact C-N 3.28Å; K40-A42 PolarHBondContact O-N 3.46Å; K40-E43 WeakPolarHBondContact O-CB 3.27Å; K40-E43 PolarHBondContact O-N 3.49Å; K40-E44 PolarHBondContact O-N 2.96Å
41	L	89.6	Confident	83.8	Confident	74 Å²	74	77.2 Å²	77.2	39%	0.387	41%	0.414	S	S	.	.	H	α-helix	trans	-59.4	-41.2	177.2	-70.9	172.3	0	0	0	111.5	D37 E38 E44 A45	D37-L41 VanDerWaalsContact O-CG 3.32Å; D37-L41 WeakPolarHBondContact O-CG 3.45Å; D37-L41 PolarHBondContact O-N 3Å; E38-L41 PolarHBondContact O-N 3.19Å; L41-E44 PolarHBondContact O-N 3.38Å; L41-A45 VanDerWaalsContact O-CB 3.25Å; L41-A45 WeakPolarHBondContact O-CB 3.31Å; L41-A45 PolarHBondContact O-N 3.05Å
42	A	90.3	Very high	83.4	Confident	0 Å²	0	78.4 Å²	78.4	0%	0	42%	0.419	C	S	.	.	H	α-helix	trans	-65.7	-38.6	176.1	0	0	0	0	0	113	E38 V39 K40 A45 S46 S143 Q144	E38-A42 WeakPolarHBondContact O-CB 3.22Å; E38-A42 PolarHBondContact O-N 3.35Å; V39-A42 PolarHBondContact O-N 3.25Å; K40-A42 VanDerWaalsContact C-N 3.28Å; K40-A42 PolarHBondContact O-N 3.46Å; A42-A45 PolarHBondContact O-N 3.41Å; A42-S46 WeakPolarHBondContact O-CB 3.5Å; A42-S46 PolarHBondContact O-N 2.93Å; A42-S46 PolarHBondContact O-OG 3.29Å; A42-S143 VanDerWaalsContact CB-CA 3.46Å; A42-Q144 WeakPolarHBondContact CA-O 3.38Å; A42-Q144 WeakPolarHBondContact CB-O 3.15Å
43	E	90.9	Very high	83.3	Confident	80 Å²	80	77 Å²	77	37%	0.374	43%	0.426	S	S	.	.	H	α-helix	trans	-61.1	-45.9	173.9	-67.9	-164.1	142.1	0	0	111.6	V39 K40 S46 K47 K140	V39-E43 WeakPolarHBondContact O-CG 3.38Å; V39-E43 PolarHBondContact O-N 2.88Å; K40-E43 WeakPolarHBondContact O-CB 3.27Å; K40-E43 PolarHBondContact O-N 3.49Å; E43-S46 PolarHBondContact O-N 3.07Å; E43-S46 PolarHBondContact O-OG 2.85Å; E43-K47 WeakPolarHBondContact O-CG 3.37Å; E43-K47 PolarHBondContact O-N 3.06Å; E43-K140 IonicContact OE1-NZ 3.56Å
44	E	91.8	Very high	83.8	Confident	94 Å²	94	80.5 Å²	80.5	44%	0.439	45%	0.448	S	S	.	.	H	α-helix	trans	-65.6	-42.9	176.5	-68.3	-178.2	-178.8	0	0	112.6	K40 L41 S46 K47	K40-E44 PolarHBondContact O-N 2.96Å; L41-E44 PolarHBondContact O-N 3.38Å; E44-S46 VanDerWaalsContact C-N 3.31Å; E44-S46 PolarHBondContact O-N 3.18Å; E44-K47 PolarHBondContact O-N 3.11Å
45	A	90.1	Very high	84.7	Confident	5 Å²	5	78.8 Å²	78.8	4%	0.041	44%	0.438	C	S	.	.	H	α-helix	trans	-61.3	-41.8	177.8	0	0	0	0	0	111.4	L41 A42 K47 R48 Y49 S145 Y147	L41-A45 VanDerWaalsContact O-CB 3.25Å; L41-A45 WeakPolarHBondContact O-CB 3.31Å; L41-A45 PolarHBondContact O-N 3.05Å; A42-A45 PolarHBondContact O-N 3.41Å; A45-K47 VanDerWaalsContact C-N 3.26Å; A45-K47 PolarHBondContact O-N 2.86Å; A45-R48 PolarHBondContact O-N 3.28Å; A45-Y49 PolarHBondContact O-N 3.41Å; A45-Y49 VanDerWaalsContact O-N 3.14Å; A45-S145 WeakPolarHBondContact CB-O 3.37Å; A45-Y147 HydrophobicContact CB-CD2 4.03Å; A45-Y147 HydrophobicContact CB-CE2 3.85Å
46	S	90.8	Very high	85.9	Confident	34 Å²	34	77 Å²	77	24%	0.238	43%	0.432	C	S	.	.	H	α-helix	trans	-60.7	-33.2	179	75	0	0	0	0	113.3	A42 E43 E44 R48 Y49 Y147	A42-S46 WeakPolarHBondContact O-CB 3.5Å; A42-S46 PolarHBondContact O-N 2.93Å; A42-S46 PolarHBondContact O-OG 3.29Å; E43-S46 PolarHBondContact O-N 3.07Å; E43-S46 PolarHBondContact O-OG 2.85Å; E44-S46 VanDerWaalsContact C-N 3.31Å; E44-S46 PolarHBondContact O-N 3.18Å; S46-R48 VanDerWaalsContact C-N 3.27Å; S46-R48 PolarHBondContact O-N 3.3Å; S46-Y49 WeakPolarHBondContact O-CB 3.36Å; S46-Y49 PolarHBondContact O-N 3.03Å; S46-Y147 WeakPolarHBondContact CA-OH 3.46Å
47	K	90.6	Very high	87.3	Confident	166 Å²	166	74.6 Å²	74.6	72%	0.722	41%	0.414	S	S	*	.	H	α-helix	trans	-69	-26	176.8	-65.4	170.4	-172.2	172.4	0	112.8	E43 E44 A45	E43-K47 WeakPolarHBondContact O-CG 3.37Å; E43-K47 PolarHBondContact O-N 3.06Å; E44-K47 PolarHBondContact O-N 3.11Å; A45-K47 VanDerWaalsContact C-N 3.26Å; A45-K47 PolarHBondContact O-N 2.86Å
48	R	87.2	Confident	87.7	Confident	154 Å²	154	73 Å²	73	58%	0.581	41%	0.408	S	S	*	.	H	α-helix	trans	-94	-10.6	180	-64.1	-171.6	-68.8	-113.6	-2.3	112.9	A45 S46 G50 S51	A45-R48 PolarHBondContact O-N 3.28Å; S46-R48 VanDerWaalsContact C-N 3.27Å; S46-R48 PolarHBondContact O-N 3.3Å; R48-G50 PolarHBondContact O-N 3.34Å; R48-S51 VanDerWaalsContact O-CB 3.24Å; R48-S51 WeakPolarHBondContact O-CB 3.47Å; R48-S51 PolarHBondContact O-N 3.18Å; R48-S51 VanDerWaalsContact O-N 3.08Å; R48-S51 PolarHBondContact O-OG 3.14Å
49	Y	86.5	Confident	88.2	Confident	109 Å²	109	76.2 Å²	76.2	43%	0.427	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	134.9	179.8	-179.8	-122.4	0	0	0	111.5	A45 S46 P99 Y147	A45-Y49 PolarHBondContact O-N 3.41Å; A45-Y49 VanDerWaalsContact O-N 3.14Å; S46-Y49 WeakPolarHBondContact O-CB 3.36Å; S46-Y49 PolarHBondContact O-N 3.03Å; Y49-P99 HydrophobicContact CE2-CB 4.19Å; Y49-Y147 HydrophobicContact CD1-CD1 4.47Å; Y49-Y147 AromaticContact CD1-CE1 3.99Å; Y49-Y147 HydrophobicContact CD1-CE1 3.99Å; Y49-Y147 AromaticContact CD2-CD1 2.98Å; Y49-Y147 HydrophobicContact CD2-CD1 2.98Å; Y49-Y147 HydrophobicContact CD2-CD2 4.39Å; Y49-Y147 AromaticContact CD2-CE1 3.32Å; Y49-Y147 HydrophobicContact CD2-CE1 3.32Å; Y49-Y147 AromaticContact CD2-CG 3.57Å; Y49-Y147 HydrophobicContact CD2-CG 3.57Å; Y49-Y147 HydrophobicContact CE1-CE1 4.4Å; Y49-Y147 AromaticContact CE2-CD1 3.37Å; Y49-Y147 HydrophobicContact CE2-CD1 3.37Å; Y49-Y147 AromaticContact CE2-CE1 3.8Å; Y49-Y147 HydrophobicContact CE2-CE1 3.8Å; Y49-Y147 HydrophobicContact CE2-CG 4.25Å; Y49-Y147 AromaticContact CG-CD1 3.61Å; Y49-Y147 HydrophobicContact CG-CD1 3.61Å; Y49-Y147 AromaticContact CG-CE1 3.41Å; Y49-Y147 HydrophobicContact CG-CE1 3.41Å; Y49-Y147 VanDerWaalsContact CG-CE1 3.41Å; Y49-Y147 HydrophobicContact CG-CG 4.23Å; Y49-Y147 AromaticContact CG-CZ 3.95Å
50	G	81.9	Confident	88.6	Confident	69 Å²	69	73.2 Å²	73.2	71%	0.711	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.5	-8.5	-173.9	0	0	0	0	0	114.7	R48	R48-G50 PolarHBondContact O-N 3.34Å
51	S	80.7	Confident	88.8	Confident	82 Å²	82	68.8 Å²	68.8	57%	0.573	39%	0.385	S	S	*	.			trans	-71.2	131.7	171.5	-58.4	0	0	0	0	110.3	R48 G53	R48-S51 VanDerWaalsContact O-CB 3.24Å; R48-S51 WeakPolarHBondContact O-CB 3.47Å; R48-S51 PolarHBondContact O-N 3.18Å; R48-S51 VanDerWaalsContact O-N 3.08Å; R48-S51 PolarHBondContact O-OG 3.14Å; S51-G53 PolarHBondContact O-N 3.38Å
52	P	67.9	Low	89.1	Confident	136 Å²	136	70 Å²	70	88%	0.883	39%	0.392	S	S	*	.			trans	-68.8	125.9	175.2	27.3	-31.8	0	0	0	109.8
53	G	77.1	Confident	89.3	Confident	58 Å²	58	76 Å²	76	60%	0.598	42%	0.418	S	S	*	.	S	Bend	trans	159.8	157	173.3	0	0	0	0	0	114	S51	S51-G53 PolarHBondContact O-N 3.38Å
54	P	86.8	Confident	89.5	Confident	98 Å²	98	75.8 Å²	75.8	64%	0.636	43%	0.425	S	S	*	.			trans	-65.7	143.3	175.7	27.5	-33.4	0	0	0	111
55	T	93.5	Very high	89.6	Confident	33 Å²	33	73.9 Å²	73.9	20%	0.202	42%	0.417	C	S	.	.			trans	-82.2	172.9	174.9	71.7	0	0	0	0	110.6	F57 S58 K59 V146 H148	T55-F57 PolarHBondContact O-N 2.93Å; T55-F57 PolarHBondContact OG1-N 3.21Å; T55-S58 PolarHBondContact N-OG 2.81Å; T55-S58 VanDerWaalsContact N-OG 3.09Å; T55-S58 WeakPolarHBondContact O-CB 3.48Å; T55-S58 PolarHBondContact O-N 2.85Å; T55-S58 VanDerWaalsContact O-N 3.15Å; T55-S58 PolarHBondContact OG1-N 2.79Å; T55-S58 PolarHBondContact OG1-OG 2.86Å; T55-K59 PolarHBondContact O-N 3.42Å; T55-V146 HydrophobicContact CG2-CG1 4.49Å; T55-H148 HydrophobicContact CG2-CB 4.08Å
56	I	93.4	Very high	89.8	Confident	81 Å²	81	79.7 Å²	79.7	42%	0.415	46%	0.455	S	S	.	.	H	α-helix	trans	-58.9	-30.9	169.7	-167.4	63.1	0	0	0	111.7	K59 V60 I65 V146	I56-K59 HydrophobicContact CD1-CD 4.3Å; I56-K59 WeakPolarHBondContact O-CB 3.43Å; I56-K59 PolarHBondContact O-N 2.93Å; I56-V60 PolarHBondContact O-N 2.88Å; I56-V60 VanDerWaalsContact O-N 3.16Å; I56-I65 HydrophobicContact CD1-CD1 3.44Å; I56-I65 VanDerWaalsContact CD1-CD1 3.44Å; I56-I65 HydrophobicContact CG1-CD1 3.82Å; I56-V146 HydrophobicContact CG2-CG1 3.96Å; I56-V146 HydrophobicContact CG2-CG2 3.78Å
57	F	95.4	Very high	90	Very high	16 Å²	16	79.9 Å²	79.9	7%	0.07	46%	0.458	C	S	.	.	H	α-helix	trans	-74	-30.3	176.3	-65.5	-12.9	0	0	0	112.9	T55 K59 V60 I61 F79 L91 I93 V146 H148 H150	T55-F57 PolarHBondContact O-N 2.93Å; T55-F57 PolarHBondContact OG1-N 3.21Å; F57-K59 PolarHBondContact O-N 3.45Å; F57-V60 WeakPolarHBondContact O-CB 3.32Å; F57-V60 PolarHBondContact O-N 3.25Å; F57-V60 VanDerWaalsContact O-N 3.1Å; F57-I61 VanDerWaalsContact O-CG1 3.3Å; F57-I61 WeakPolarHBondContact O-CG1 3.4Å; F57-I61 PolarHBondContact O-N 3.12Å; F57-F79 AromaticContact CD1-CZ 3.9Å; F57-F79 HydrophobicContact CD1-CZ 3.9Å; F57-F79 HydrophobicContact CE1-CE2 4.39Å; F57-F79 AromaticContact CE1-CZ 3.88Å; F57-F79 HydrophobicContact CE1-CZ 3.88Å; F57-F79 HydrophobicContact CZ-CZ 4.49Å; F57-L91 HydrophobicContact CE1-CD1 4.08Å; F57-L91 HydrophobicContact CE2-CD1 4.41Å; F57-L91 HydrophobicContact CZ-CD1 3.62Å; F57-I93 HydrophobicContact CB-CD1 3.8Å; F57-I93 HydrophobicContact CD2-CD1 4.46Å; F57-I93 HydrophobicContact CD2-CG2 4.02Å; F57-I93 HydrophobicContact CE2-CG2 4.25Å; F57-I93 HydrophobicContact CG-CD1 4.2Å; F57-V146 HydrophobicContact CD1-CG1 4.38Å; F57-V146 HydrophobicContact CD2-CB 4.19Å; F57-V146 HydrophobicContact CD2-CG1 3.69Å; F57-V146 HydrophobicContact CE1-CB 4.45Å; F57-V146 HydrophobicContact CE1-CG1 4.42Å; F57-V146 HydrophobicContact CE1-CG2 4.08Å; F57-V146 HydrophobicContact CE2-CB 3.67Å; F57-V146 HydrophobicContact CE2-CG1 3.71Å; F57-V146 HydrophobicContact CE2-CG2 4.14Å; F57-V146 HydrophobicContact CG-CG1 4Å; F57-V146 HydrophobicContact CZ-CB 3.81Å; F57-V146 HydrophobicContact CZ-CG1 4.09Å; F57-V146 HydrophobicContact CZ-CG2 3.74Å; F57-H148 HydrophobicContact CB-CB 4.17Å; F57-H148 HydrophobicContact CD2-CB 3.78Å; F57-H148 HydrophobicContact CG-CB 4.43Å; F57-H150 HydrophobicContact CE2-CB 3.78Å; F57-H150 AromaticContact CE2-CG 3.69Å; F57-H150 AromaticContact CE2-ND1 3.58Å
58	S	94.4	Very high	90.3	Very high	27 Å²	27	75.1 Å²	75.1	19%	0.189	44%	0.441	C	S	.	.	H	α-helix	trans	-58.1	-40	168.5	-50.2	0	0	0	0	111	T55 V60 I61 D62	T55-S58 PolarHBondContact N-OG 2.81Å; T55-S58 VanDerWaalsContact N-OG 3.09Å; T55-S58 WeakPolarHBondContact O-CB 3.48Å; T55-S58 PolarHBondContact O-N 2.85Å; T55-S58 VanDerWaalsContact O-N 3.15Å; T55-S58 PolarHBondContact OG1-N 2.79Å; T55-S58 PolarHBondContact OG1-OG 2.86Å; S58-V60 VanDerWaalsContact C-N 3.31Å; S58-V60 PolarHBondContact O-N 3.28Å; S58-I61 PolarHBondContact O-N 2.72Å; S58-D62 VanDerWaalsContact O-CG 3.25Å; S58-D62 PolarHBondContact O-N 2.88Å
59	K	94.8	Very high	90.8	Very high	91 Å²	91	70.6 Å²	70.6	40%	0.396	43%	0.427	S	S	.	.	H	α-helix	trans	-69	-26.4	175.9	-61.8	-174.7	-177.5	-177.7	0	113.9	T55 I56 F57 D62 K63 S64 I65	T55-K59 PolarHBondContact O-N 3.42Å; I56-K59 HydrophobicContact CD1-CD 4.3Å; I56-K59 WeakPolarHBondContact O-CB 3.43Å; I56-K59 PolarHBondContact O-N 2.93Å; F57-K59 PolarHBondContact O-N 3.45Å; K59-D62 VanDerWaalsContact C-OD1 3.23Å; K59-D62 WeakPolarHBondContact CA-OD1 3.27Å; K59-K63 PolarHBondContact O-N 2.79Å; K59-S64 VanDerWaalsContact CA-OG 3.29Å; K59-S64 WeakPolarHBondContact CA-OG 3.5Å; K59-S64 WeakPolarHBondContact CB-OG 3.45Å; K59-S64 PolarHBondContact O-N 3.18Å; K59-S64 PolarHBondContact O-OG 3.48Å; K59-S64 VanDerWaalsContact O-OG 3.13Å; K59-I65 HydrophobicContact CB-CD1 4.22Å; K59-I65 HydrophobicContact CB-CG1 3.81Å; K59-I65 HydrophobicContact CB-CG2 4.24Å; K59-I65 HydrophobicContact CD-CG2 4.41Å; K59-I65 PolarHBondContact O-N 3.43Å; K59-I65 VanDerWaalsContact O-N 3.15Å
60	V	95.6	Very high	91.4	Very high	8 Å²	8	67.1 Å²	67.1	5%	0.048	42%	0.416	C	S	.	.	H	α-helix	trans	-74.1	-44.7	171.8	175.5	0	0	0	0	109.9	I56 F57 S58 D62 K63 I65 A67 L77 F79	I56-V60 PolarHBondContact O-N 2.88Å; I56-V60 VanDerWaalsContact O-N 3.16Å; F57-V60 WeakPolarHBondContact O-CB 3.32Å; F57-V60 PolarHBondContact O-N 3.25Å; F57-V60 VanDerWaalsContact O-N 3.1Å; S58-V60 VanDerWaalsContact C-N 3.31Å; S58-V60 PolarHBondContact O-N 3.28Å; V60-D62 PolarHBondContact O-N 2.82Å; V60-K63 PolarHBondContact O-N 2.95Å; V60-K63 VanDerWaalsContact O-N 3.14Å; V60-I65 HydrophobicContact CG2-CD1 3.63Å; V60-I65 HydrophobicContact CG2-CG1 3.85Å; V60-A67 HydrophobicContact CG1-CB 3.58Å; V60-A67 HydrophobicContact CG2-CB 4.32Å; V60-L77 HydrophobicContact CG1-CD2 3.6Å; V60-F79 HydrophobicContact CG1-CD1 4Å; V60-F79 HydrophobicContact CG1-CE1 4.04Å; V60-F79 HydrophobicContact CG1-CG 4.31Å; V60-F79 HydrophobicContact CG1-CZ 4.37Å
61	I	95.5	Very high	92.2	Very high	30 Å²	30	67.1 Å²	67.1	15%	0.154	40%	0.395	C	S	.	.	H	α-helix	trans	-62	-43.5	-179.8	-68.9	161.7	0	0	0	111.3	F57 S58 K63 I93 R95	F57-I61 VanDerWaalsContact O-CG1 3.3Å; F57-I61 WeakPolarHBondContact O-CG1 3.4Å; F57-I61 PolarHBondContact O-N 3.12Å; S58-I61 PolarHBondContact O-N 2.72Å; I61-K63 PolarHBondContact O-N 2.91Å; I61-I93 HydrophobicContact CD1-CD1 3.79Å; I61-I93 HydrophobicContact CG1-CD1 3.77Å; I61-R95 HydrophobicContact CG2-CG 4.45Å
62	D	95.7	Very high	93	Very high	100 Å²	100	66.7 Å²	66.7	54%	0.535	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-0.9	178.3	71.5	16.4	0	0	0	113.8	S58 K59 V60 S64	S58-D62 VanDerWaalsContact O-CG 3.25Å; S58-D62 PolarHBondContact O-N 2.88Å; K59-D62 VanDerWaalsContact C-OD1 3.23Å; K59-D62 WeakPolarHBondContact CA-OD1 3.27Å; V60-D62 PolarHBondContact O-N 2.82Å; D62-S64 PolarHBondContact O-N 3.19Å; D62-S64 WeakPolarHBondContact OD1-CB 3.43Å; D62-S64 PolarHBondContact OD1-N 3.19Å; D62-S64 PolarHBondContact OD1-OG 2.66Å
63	K	94.9	Very high	94.5	Very high	125 Å²	125	61.6 Å²	61.6	54%	0.543	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.5	21.4	179.1	-52.4	179.3	178.5	-177.3	0	113.7	K59 V60 I61 I65 E72	K59-K63 PolarHBondContact O-N 2.79Å; V60-K63 PolarHBondContact O-N 2.95Å; V60-K63 VanDerWaalsContact O-N 3.14Å; I61-K63 PolarHBondContact O-N 2.91Å; K63-I65 VanDerWaalsContact C-N 3.3Å; K63-E72 WeakPolarHBondContact CE-OE1 3.03Å; K63-E72 IonicContact NZ-OE1 3.61Å; K63-E72 PolarHBondContact NZ-OE1 2.86Å; K63-E72 IonicContact NZ-OE2 3.72Å; K63-E72 PolarHBondContact NZ-OE2 3.42Å
64	S	95.1	Very high	95.5	Very high	75 Å²	75	64.9 Å²	64.9	52%	0.524	35%	0.353	S	S	.	.	S	Bend	trans	-73.4	-21.1	173.2	62.1	0	0	0	0	113.3	K59 D62	K59-S64 VanDerWaalsContact CA-OG 3.29Å; K59-S64 WeakPolarHBondContact CA-OG 3.5Å; K59-S64 WeakPolarHBondContact CB-OG 3.45Å; K59-S64 PolarHBondContact O-N 3.18Å; K59-S64 PolarHBondContact O-OG 3.48Å; K59-S64 VanDerWaalsContact O-OG 3.13Å; D62-S64 PolarHBondContact O-N 3.19Å; D62-S64 WeakPolarHBondContact OD1-CB 3.43Å; D62-S64 PolarHBondContact OD1-N 3.19Å; D62-S64 PolarHBondContact OD1-OG 2.66Å
65	I	93.6	Very high	96	Very high	54 Å²	54	63.4 Å²	63.4	28%	0.277	34%	0.337	S	S	.	.	S	Bend	trans	-121.7	146.8	167.1	62.4	162.3	0	0	0	111.2	I56 K59 V60 K63	I56-I65 HydrophobicContact CD1-CD1 3.44Å; I56-I65 VanDerWaalsContact CD1-CD1 3.44Å; I56-I65 HydrophobicContact CG1-CD1 3.82Å; K59-I65 HydrophobicContact CB-CD1 4.22Å; K59-I65 HydrophobicContact CB-CG1 3.81Å; K59-I65 HydrophobicContact CB-CG2 4.24Å; K59-I65 HydrophobicContact CD-CG2 4.41Å; K59-I65 PolarHBondContact O-N 3.43Å; K59-I65 VanDerWaalsContact O-N 3.15Å; V60-I65 HydrophobicContact CG2-CD1 3.63Å; V60-I65 HydrophobicContact CG2-CG1 3.85Å; K63-I65 VanDerWaalsContact C-N 3.3Å
66	P	93.6	Very high	96.3	Very high	128 Å²	128	61.9 Å²	61.9	83%	0.831	33%	0.327	S	S	*	.			trans	-69.1	138.9	178.1	28.8	-34.5	0	0	0	111
67	A	95.6	Very high	96.5	Very high	37 Å²	37	58 Å²	58	31%	0.306	31%	0.308	S	S	.	.			trans	-140.4	149.7	168.8	0	0	0	0	0	109.6	V60 I69 F79	V60-A67 HydrophobicContact CG1-CB 3.58Å; V60-A67 HydrophobicContact CG2-CB 4.32Å; A67-I69 VanDerWaalsContact C-N 3.29Å; A67-I69 HydrophobicContact CB-CG1 4.3Å; A67-I69 PolarHBondContact O-N 3.03Å; A67-F79 HydrophobicContact CB-CB 4.21Å; A67-F79 HydrophobicContact CB-CD2 4.27Å; A67-F79 HydrophobicContact CB-CG 4.29Å
68	D	97.3	Very high	96.7	Very high	66 Å²	66	57.3 Å²	57.3	35%	0.353	30%	0.304	S	S	.	.			trans	-81.2	79.9	174.4	-173.2	-7.1	0	0	0	108.9	R30 F79 R80	R30-D68 IonicContact CZ-OD2 3.55Å; R30-D68 IonicContact NH2-OD2 2.66Å; R30-D68 PolarHBondContact NH2-OD2 2.86Å; D68-F79 CarbonylContact O-C 2.97Å; D68-F79 WeakPolarHBondContact O-CA 3.39Å; D68-F79 VanDerWaalsContact O-CB 3.31Å; D68-F79 WeakPolarHBondContact O-CB 3.17Å; D68-R80 HydrophobicContact CB-CB 4.11Å; D68-R80 HydrophobicContact CB-CG 4.12Å; D68-R80 PolarHBondContact O-N 3.35Å; D68-R80 IonicContact OD1-NE 3.52Å; D68-R80 WeakPolarHBondContact OD2-CD 3.39Å; D68-R80 IonicContact OD2-NE 3.65Å; D68-R80 PolarHBondContact OD2-NE 2.91Å
69	I	97.9	Very high	96.9	Very high	59 Å²	59	56.6 Å²	56.6	30%	0.303	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	122.5	-177.7	-63.2	167.1	0	0	0	109.1	A67 E72 L77 F79	A67-I69 VanDerWaalsContact C-N 3.29Å; A67-I69 HydrophobicContact CB-CG1 4.3Å; A67-I69 PolarHBondContact O-N 3.03Å; I69-E72 HydrophobicContact CG2-CB 4.19Å; I69-L77 HydrophobicContact CD1-CD1 4.07Å; I69-L77 HydrophobicContact CD1-CD2 4.43Å; I69-L77 HydrophobicContact CG1-CD1 4.12Å; I69-L77 HydrophobicContact CG1-CD2 4.36Å; I69-L77 HydrophobicContact CG2-CD1 3.62Å; I69-L77 HydrophobicContact CG2-CG 4.46Å; I69-F79 HydrophobicContact CG1-CB 4.36Å
70	I	98.4	Very high	97	Very high	36 Å²	36	54.8 Å²	54.8	19%	0.185	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	-14.7	-179.2	60.6	179.2	0	0	0	112.6	A78 R80 F90 V122 E126	I70-A78 HydrophobicContact CG1-CB 4.05Å; I70-A78 WeakPolarHBondContact CG1-O 3.48Å; I70-A78 PolarHBondContact N-O 3.15Å; I70-R80 HydrophobicContact CG2-CG 4.04Å; I70-F90 HydrophobicContact CD1-CB 3.67Å; I70-F90 HydrophobicContact CD1-CD1 4.11Å; I70-F90 HydrophobicContact CD1-CD2 3.96Å; I70-F90 HydrophobicContact CD1-CG 3.67Å; I70-V122 HydrophobicContact CD1-CG1 3.42Å; I70-V122 VanDerWaalsContact CD1-CG1 3.42Å; I70-V122 HydrophobicContact CG1-CG1 3.9Å; I70-E126 HydrophobicContact CD1-CG 4.46Å
71	Y	98.7	Very high	97.1	Very high	69 Å²	69	55 Å²	55	27%	0.271	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	143	172.6	-179.5	-93.3	0	0	0	110.5	D73 A78 V118 V122	Y71-D73 HydrophobicContact CE1-CB 4.07Å; Y71-D73 WeakPolarHBondContact CE1-OD2 3.29Å; Y71-D73 PolarHBondContact OH-OD2 3.08Å; Y71-A78 PolarHBondContact N-O 3.08Å; Y71-A78 PolarHBondContact O-N 2.75Å; Y71-V118 HydrophobicContact CD1-CG1 3.44Å; Y71-V118 VanDerWaalsContact CD1-CG1 3.44Å; Y71-V118 HydrophobicContact CD1-CG2 4.44Å; Y71-V118 HydrophobicContact CE1-CB 4.27Å; Y71-V118 HydrophobicContact CE1-CG1 3.54Å; Y71-V118 HydrophobicContact CE1-CG2 3.66Å; Y71-V118 HydrophobicContact CG-CG1 4.1Å; Y71-V122 HydrophobicContact CD2-CG2 4.29Å; Y71-V122 HydrophobicContact CG-CG2 3.99Å
72	E	98.4	Very high	97	Very high	74 Å²	74	61 Å²	61	35%	0.346	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	131.1	177.2	-172.4	170	-168.9	0	0	109.7	K63 I69 L77 R95	K63-E72 WeakPolarHBondContact CE-OE1 3.03Å; K63-E72 IonicContact NZ-OE1 3.61Å; K63-E72 PolarHBondContact NZ-OE1 2.86Å; K63-E72 IonicContact NZ-OE2 3.72Å; K63-E72 PolarHBondContact NZ-OE2 3.42Å; I69-E72 HydrophobicContact CG2-CB 4.19Å; E72-L77 HydrophobicContact CB-CD1 3.66Å; E72-L77 HydrophobicContact CG-CD1 3.52Å; E72-R95 VanDerWaalsContact CD-NH2 3.29Å; E72-R95 IonicContact OE1-CZ 3.19Å; E72-R95 IonicContact OE1-NH1 3.6Å; E72-R95 IonicContact OE1-NH2 3.63Å; E72-R95 PolarHBondContact OE1-NH2 3.46Å
73	D	98.5	Very high	96.9	Very high	28 Å²	28	58.1 Å²	58.1	15%	0.15	31%	0.308	C	S	.	.			trans	-138.8	-166.2	169.3	68.8	17.3	0	0	0	111.1	Y71 K75 C76 R95 H114	Y71-D73 HydrophobicContact CE1-CB 4.07Å; Y71-D73 WeakPolarHBondContact CE1-OD2 3.29Å; Y71-D73 PolarHBondContact OH-OD2 3.08Å; D73-K75 VanDerWaalsContact C-N 3.33Å; D73-K75 WeakPolarHBondContact OD1-CA 3.49Å; D73-K75 PolarHBondContact OD1-N 2.87Å; D73-C76 PolarHBondContact N-O 2.85Å; D73-C76 VanDerWaalsContact N-O 3.12Å; D73-C76 PolarHBondContact OD1-N 2.94Å; D73-C76 PolarHBondContact OD1-SG 3.25Å; D73-R95 VanDerWaalsContact O-CZ 3.24Å; D73-R95 PolarHBondContact O-NE 2.7Å; D73-R95 PolarHBondContact O-NH2 2.82Å; D73-H114 IonicContact OD1-NE2 2.67Å; D73-H114 IonicContact OD2-CD2 2.8Å; D73-H114 IonicContact OD2-CE1 3.7Å; D73-H114 PolarHBondContact OD2-CE1 3.36Å; D73-H114 IonicContact OD2-NE2 3.94Å; D73-H114 PolarHBondContact OD2-NE2 3.24Å
74	D	98.1	Very high	96.9	Very high	127 Å²	127	52.6 Å²	52.6	68%	0.679	29%	0.285	S	S	*	.	S	Bend	trans	-73.2	-21.2	-179.8	64.4	-48.5	0	0	0	113.8	R95	D74-R95 WeakPolarHBondContact O-CD 3.29Å
75	K	98.3	Very high	96.9	Very high	68 Å²	68	50.5 Å²	50.5	30%	0.296	27%	0.266	S	S	.	.	S	Bend	trans	-104.1	-31.3	-175	-66.7	-178.8	-173.3	-118.6	0	112.9	D73 R95 E110 L111	D73-K75 VanDerWaalsContact C-N 3.33Å; D73-K75 WeakPolarHBondContact OD1-CA 3.49Å; D73-K75 PolarHBondContact OD1-N 2.87Å; K75-R95 PolarHBondContact O-N 2.8Å; K75-E110 IonicContact NZ-OE1 3.54Å; K75-E110 PolarHBondContact NZ-OE1 2.75Å; K75-L111 HydrophobicContact CB-CD1 4.01Å
76	C	98.6	Very high	97.1	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	172.1	-169.1	74.6	0	0	0	0	114.1	D73 I93 L115	D73-C76 PolarHBondContact N-O 2.85Å; D73-C76 VanDerWaalsContact N-O 3.12Å; D73-C76 PolarHBondContact OD1-N 2.94Å; D73-C76 PolarHBondContact OD1-SG 3.25Å; C76-I93 CarbonylContact C-O 3.52Å; C76-I93 WeakPolarHBondContact CA-O 3.37Å; C76-I93 WeakPolarHBondContact CB-O 3.32Å; C76-L115 HydrophobicContact CB-CD2 3.42Å; C76-L115 VanDerWaalsContact CB-CD2 3.42Å
77	L	98.6	Very high	97.2	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.005	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	140.7	176.1	-172.2	76.3	0	0	0	108.8	V60 I69 E72 F79 V92 I93	V60-L77 HydrophobicContact CG1-CD2 3.6Å; I69-L77 HydrophobicContact CD1-CD1 4.07Å; I69-L77 HydrophobicContact CD1-CD2 4.43Å; I69-L77 HydrophobicContact CG1-CD1 4.12Å; I69-L77 HydrophobicContact CG1-CD2 4.36Å; I69-L77 HydrophobicContact CG2-CD1 3.62Å; I69-L77 HydrophobicContact CG2-CG 4.46Å; E72-L77 HydrophobicContact CB-CD1 3.66Å; E72-L77 HydrophobicContact CG-CD1 3.52Å; L77-F79 HydrophobicContact CD2-CD1 3.96Å; L77-F79 HydrophobicContact CD2-CE1 4.45Å; L77-F79 HydrophobicContact CG-CD1 4.26Å; L77-V92 WeakPolarHBondContact O-CA 3.3Å; L77-I93 HydrophobicContact CB-CG1 4.06Å; L77-I93 PolarHBondContact N-O 3.19Å; L77-I93 PolarHBondContact O-N 2.87Å
78	A	98.8	Very high	97.4	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	135.5	166.5	0	0	0	0	0	111.5	I70 Y71 F90 L91 V92 V122	I70-A78 HydrophobicContact CG1-CB 4.05Å; I70-A78 WeakPolarHBondContact CG1-O 3.48Å; I70-A78 PolarHBondContact N-O 3.15Å; Y71-A78 PolarHBondContact N-O 3.08Å; Y71-A78 PolarHBondContact O-N 2.75Å; A78-F90 HydrophobicContact CB-CD2 4.39Å; A78-L91 WeakPolarHBondContact CA-O 3.35Å; A78-L91 WeakPolarHBondContact CB-O 3.41Å; A78-V92 HydrophobicContact CB-CG2 3.99Å; A78-V122 HydrophobicContact CB-CG2 4.42Å
79	F	98.5	Very high	97.4	Very high	12 Å²	12	40.7 Å²	40.7	5%	0.053	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	154.2	-178.8	59.4	-84.6	0	0	0	111.1	F57 V60 A67 D68 I69 L77 F90 L91 I93	F57-F79 AromaticContact CD1-CZ 3.9Å; F57-F79 HydrophobicContact CD1-CZ 3.9Å; F57-F79 HydrophobicContact CE1-CE2 4.39Å; F57-F79 AromaticContact CE1-CZ 3.88Å; F57-F79 HydrophobicContact CE1-CZ 3.88Å; F57-F79 HydrophobicContact CZ-CZ 4.49Å; V60-F79 HydrophobicContact CG1-CD1 4Å; V60-F79 HydrophobicContact CG1-CE1 4.04Å; V60-F79 HydrophobicContact CG1-CG 4.31Å; V60-F79 HydrophobicContact CG1-CZ 4.37Å; A67-F79 HydrophobicContact CB-CB 4.21Å; A67-F79 HydrophobicContact CB-CD2 4.27Å; A67-F79 HydrophobicContact CB-CG 4.29Å; D68-F79 CarbonylContact O-C 2.97Å; D68-F79 WeakPolarHBondContact O-CA 3.39Å; D68-F79 VanDerWaalsContact O-CB 3.31Å; D68-F79 WeakPolarHBondContact O-CB 3.17Å; I69-F79 HydrophobicContact CG1-CB 4.36Å; L77-F79 HydrophobicContact CD2-CD1 3.96Å; L77-F79 HydrophobicContact CD2-CE1 4.45Å; L77-F79 HydrophobicContact CG-CD1 4.26Å; F79-F90 WeakPolarHBondContact O-CA 3.2Å; F79-F90 WeakPolarHBondContact O-CB 3.37Å; F79-L91 HydrophobicContact CE1-CB 4.39Å; F79-L91 HydrophobicContact CE2-CB 4.43Å; F79-L91 HydrophobicContact CE2-CD1 4Å; F79-L91 HydrophobicContact CZ-CB 4.16Å; F79-L91 HydrophobicContact CZ-CD1 3.96Å; F79-L91 PolarHBondContact N-O 3.04Å; F79-L91 VanDerWaalsContact N-O 3.09Å; F79-L91 PolarHBondContact O-N 2.89Å; F79-I93 HydrophobicContact CE1-CD1 3.71Å; F79-I93 HydrophobicContact CE1-CG1 4Å; F79-I93 HydrophobicContact CE1-CG2 4.09Å; F79-I93 HydrophobicContact CZ-CD1 4.44Å; F79-I93 HydrophobicContact CZ-CG2 4.48Å
80	R	98.3	Very high	97.5	Very high	53 Å²	53	37.9 Å²	37.9	20%	0.2	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	138.3	179.4	-55.7	-165.8	-171.1	-84.2	-9.7	110.8	D68 I70 E126	D68-R80 HydrophobicContact CB-CB 4.11Å; D68-R80 HydrophobicContact CB-CG 4.12Å; D68-R80 PolarHBondContact O-N 3.35Å; D68-R80 IonicContact OD1-NE 3.52Å; D68-R80 WeakPolarHBondContact OD2-CD 3.39Å; D68-R80 IonicContact OD2-NE 3.65Å; D68-R80 PolarHBondContact OD2-NE 2.91Å; I70-R80 HydrophobicContact CG2-CG 4.04Å; R80-E126 IonicContact CZ-OE1 2.7Å; R80-E126 IonicContact CZ-OE2 3.19Å; R80-E126 IonicContact NH1-OE1 2.85Å; R80-E126 IonicContact NH1-OE2 3.92Å; R80-E126 PolarHBondContact NH1-OE2 3.13Å; R80-E126 IonicContact NH2-OE1 3.25Å; R80-E126 PolarHBondContact NH2-OE1 3.15Å; R80-E126 IonicContact NH2-OE2 3.88Å; R80-E126 PolarHBondContact NH2-OE2 2.84Å
81	D	96.6	Very high	97.5	Very high	13 Å²	13	36.5 Å²	36.5	7%	0.07	18%	0.184	C	C	.	.			trans	-65.1	141.2	174	-158.2	-57.5	0	0	0	110	S83 H89	D81-S83 VanDerWaalsContact C-N 3.33Å; D81-S83 WeakPolarHBondContact OD1-CA 3.33Å; D81-S83 PolarHBondContact OD1-N 3.27Å; D81-H89 HydrophobicContact CB-CB 4.23Å; D81-H89 WeakPolarHBondContact CB-ND1 3.38Å; D81-H89 PolarHBondContact N-O 3.03Å; D81-H89 IonicContact OD2-CE1 2.66Å; D81-H89 PolarHBondContact OD2-CE1 2.92Å; D81-H89 IonicContact OD2-ND1 3.19Å; D81-H89 IonicContact OD2-NE2 2.79Å
82	I	93.6	Very high	97.5	Very high	157 Å²	157	33.2 Å²	33.2	81%	0.805	17%	0.171	S	C	*	.	S	Bend	trans	-77.3	-24.4	177.1	-165.9	167.3	0	0	0	111.8	P84	I82-P84 VanDerWaalsContact C-CD 3.41Å; I82-P84 VanDerWaalsContact O-CD 3.26Å; I82-P84 WeakPolarHBondContact O-CD 3.46Å
83	S	93.2	Very high	97.5	Very high	38 Å²	38	29.7 Å²	29.7	27%	0.266	16%	0.155	S	C	.	.	S	Bend	trans	-118.1	66.8	179.4	-65.6	0	0	0	0	110.2	D81 Q85	D81-S83 VanDerWaalsContact C-N 3.33Å; D81-S83 WeakPolarHBondContact OD1-CA 3.33Å; D81-S83 PolarHBondContact OD1-N 3.27Å; S83-Q85 PolarHBondContact O-N 2.87Å
84	P	95.3	Very high	97.5	Very high	9 Å²	9	28.3 Å²	28.3	6%	0.058	15%	0.148	C	C	.	.			trans	-63	134.4	-172.3	26.5	-34.9	0	0	0	112.6	R30 L32 C33 I82 H89	R30-P84 HydrophobicContact CB-CG 4.01Å; L32-P84 CarbonylContact C-O 3.59Å; L32-P84 VanDerWaalsContact CA-O 3.25Å; L32-P84 WeakPolarHBondContact CA-O 3.31Å; L32-P84 HydrophobicContact CD2-CB 4.23Å; L32-P84 HydrophobicContact CD2-CG 4.4Å; L32-P84 WeakPolarHBondContact CD2-O 3.45Å; C33-P84 PolarHBondContact N-O 3.29Å; I82-P84 VanDerWaalsContact C-CD 3.41Å; I82-P84 VanDerWaalsContact O-CD 3.26Å; I82-P84 WeakPolarHBondContact O-CD 3.46Å; P84-H89 HydrophobicContact CB-CB 3.87Å
85	Q	95.2	Very high	97.5	Very high	31 Å²	31	25.8 Å²	25.8	15%	0.145	13%	0.128	C	C	.	.	S	Bend	trans	-100.9	-2.5	175.6	-58.5	-65.7	-38	0	0	112.3	C33 S83 H89 L154 R157	C33-Q85 PolarHBondContact O-OE1 3.09Å; C33-Q85 PolarHBondContact SG-NE2 2.88Å; S83-Q85 PolarHBondContact O-N 2.87Å; Q85-H89 PolarHBondContact N-ND1 2.85Å; Q85-L154 HydrophobicContact CB-CD2 3.72Å; Q85-R157 PolarHBondContact O-NE 3.05Å; Q85-R157 PolarHBondContact O-NH2 3.17Å
86	A	96.9	Very high	97.4	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.139	C	C	.	.	S	Bend	trans	-150.2	160.5	175.7	0	0	0	0	0	109.2	I88 L154 G155 R157 M159	A86-I88 CarbonylContact O-C 3.55Å; A86-I88 PolarHBondContact O-N 2.86Å; A86-I88 VanDerWaalsContact O-N 3.08Å; A86-L154 HydrophobicContact CB-CB 4.08Å; A86-L154 HydrophobicContact CB-CD2 4.38Å; A86-G155 WeakPolarHBondContact CB-O 3.32Å; A86-R157 HydrophobicContact CB-CG 4.32Å; A86-M159 HydrophobicContact CB-CE 4.01Å
87	P	97.4	Very high	97.2	Very high	64 Å²	64	30.9 Å²	30.9	42%	0.416	17%	0.167	S	C	.	.	S	Bend	trans	-53.7	-30.9	178.6	-29.6	37.4	0	0	0	113.8	R157	P87-R157 HydrophobicContact CG-CB 4.41Å
88	I	98.2	Very high	97.1	Very high	8 Å²	8	31.3 Å²	31.3	4%	0.041	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	111.8	166.1	-42.1	-150.8	0	0	0	107.1	R27 A86 F90 E126 L128 L154 G155	R27-I88 VanDerWaalsContact NH2-CD1 3.33Å; R27-I88 VanDerWaalsContact NH2-CG1 3.27Å; A86-I88 CarbonylContact O-C 3.55Å; A86-I88 PolarHBondContact O-N 2.86Å; A86-I88 VanDerWaalsContact O-N 3.08Å; I88-F90 HydrophobicContact CG2-CD1 4.11Å; I88-F90 HydrophobicContact CG2-CE1 4.43Å; I88-E126 HydrophobicContact CD1-CB 4.2Å; I88-E126 WeakPolarHBondContact CD1-O 3.36Å; I88-E126 HydrophobicContact CG2-CB 4.01Å; I88-E126 HydrophobicContact CG2-CG 4.32Å; I88-L128 HydrophobicContact CB-CD1 4.26Å; I88-L128 HydrophobicContact CB-CD2 3.98Å; I88-L128 HydrophobicContact CB-CG 4.45Å; I88-L128 HydrophobicContact CD1-CD2 3.53Å; I88-L128 HydrophobicContact CD1-CG 3.96Å; I88-L128 HydrophobicContact CG1-CD2 3.78Å; I88-L128 HydrophobicContact CG2-CD1 4.02Å; I88-L128 HydrophobicContact CG2-CD2 4.47Å; I88-L128 HydrophobicContact CG2-CG 4.4Å; I88-L154 CarbonylContact O-C 3.51Å; I88-L154 WeakPolarHBondContact O-CA 3.48Å; I88-G155 PolarHBondContact N-O 3.38Å; I88-G155 PolarHBondContact O-N 2.85Å
89	H	98.5	Very high	97	Very high	8 Å²	8	33.3 Å²	33.3	4%	0.037	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	117.4	171.7	-170.8	-160.9	0	0	0	108.8	D81 P84 Q85 H152 V153	D81-H89 HydrophobicContact CB-CB 4.23Å; D81-H89 WeakPolarHBondContact CB-ND1 3.38Å; D81-H89 PolarHBondContact N-O 3.03Å; D81-H89 IonicContact OD2-CE1 2.66Å; D81-H89 PolarHBondContact OD2-CE1 2.92Å; D81-H89 IonicContact OD2-ND1 3.19Å; D81-H89 IonicContact OD2-NE2 2.79Å; P84-H89 HydrophobicContact CB-CB 3.87Å; Q85-H89 PolarHBondContact N-ND1 2.85Å; H89-H152 AromaticContact CE1-ND1 3.46Å; H89-H152 PolarHBondContact CE1-ND1 2.9Å; H89-H152 AromaticContact NE2-CG 3.67Å; H89-H152 AromaticContact NE2-ND1 2.92Å; H89-H152 PolarHBondContact NE2-ND1 3.44Å; H89-V153 WeakPolarHBondContact CA-O 3.38Å
90	F	98.8	Very high	97	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	159.8	174.8	68.1	-93.8	0	0	0	110.6	I70 A78 F79 I88 V92 V122 A123 E126 V153	I70-F90 HydrophobicContact CD1-CB 3.67Å; I70-F90 HydrophobicContact CD1-CD1 4.11Å; I70-F90 HydrophobicContact CD1-CD2 3.96Å; I70-F90 HydrophobicContact CD1-CG 3.67Å; A78-F90 HydrophobicContact CB-CD2 4.39Å; F79-F90 WeakPolarHBondContact O-CA 3.2Å; F79-F90 WeakPolarHBondContact O-CB 3.37Å; I88-F90 HydrophobicContact CG2-CD1 4.11Å; I88-F90 HydrophobicContact CG2-CE1 4.43Å; F90-V92 HydrophobicContact CD2-CG2 4.09Å; F90-V92 HydrophobicContact CE2-CG2 3.75Å; F90-V122 HydrophobicContact CD1-CG1 4.48Å; F90-V122 HydrophobicContact CD2-CG1 4.08Å; F90-V122 HydrophobicContact CE1-CG1 4.02Å; F90-V122 HydrophobicContact CE2-CB 3.85Å; F90-V122 HydrophobicContact CE2-CG1 3.57Å; F90-V122 HydrophobicContact CZ-CB 3.79Å; F90-V122 HydrophobicContact CZ-CG1 3.53Å; F90-A123 HydrophobicContact CZ-CB 4.36Å; F90-E126 HydrophobicContact CE1-CG 4.38Å; F90-V153 HydrophobicContact CD1-CB 4.03Å; F90-V153 HydrophobicContact CD1-CG1 4.36Å; F90-V153 HydrophobicContact CD2-CB 4.13Å; F90-V153 HydrophobicContact CD2-CG2 4.23Å; F90-V153 HydrophobicContact CE1-CB 3.57Å; F90-V153 HydrophobicContact CE1-CG1 3.52Å; F90-V153 HydrophobicContact CE1-CG2 4.3Å; F90-V153 HydrophobicContact CE2-CB 3.69Å; F90-V153 HydrophobicContact CE2-CG1 4.28Å; F90-V153 HydrophobicContact CE2-CG2 3.55Å; F90-V153 HydrophobicContact CG-CB 4.3Å; F90-V153 HydrophobicContact CZ-CB 3.38Å; F90-V153 HydrophobicContact CZ-CG1 3.48Å; F90-V153 VanDerWaalsContact CZ-CG1 3.48Å; F90-V153 HydrophobicContact CZ-CG2 3.6Å; F90-V153 PolarHBondContact N-O 3.43Å; F90-V153 PolarHBondContact O-N 2.91Å
91	L	98.8	Very high	97	Very high	6 Å²	6	35 Å²	35	3%	0.031	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	142.4	178.7	-54.6	-177.1	0	0	0	109.4	F57 A78 F79 I93 I151 H152	F57-L91 HydrophobicContact CE1-CD1 4.08Å; F57-L91 HydrophobicContact CE2-CD1 4.41Å; F57-L91 HydrophobicContact CZ-CD1 3.62Å; A78-L91 WeakPolarHBondContact CA-O 3.35Å; A78-L91 WeakPolarHBondContact CB-O 3.41Å; F79-L91 HydrophobicContact CE1-CB 4.39Å; F79-L91 HydrophobicContact CE2-CB 4.43Å; F79-L91 HydrophobicContact CE2-CD1 4Å; F79-L91 HydrophobicContact CZ-CB 4.16Å; F79-L91 HydrophobicContact CZ-CD1 3.96Å; F79-L91 PolarHBondContact N-O 3.04Å; F79-L91 VanDerWaalsContact N-O 3.09Å; F79-L91 PolarHBondContact O-N 2.89Å; L91-I93 HydrophobicContact CB-CG2 4.41Å; L91-I151 CarbonylContact C-O 3.57Å; L91-I151 WeakPolarHBondContact CA-O 3.36Å; L91-H152 HydrophobicContact CD2-CB 4.25Å; L91-H152 WeakPolarHBondContact CD2-ND1 3.45Å
92	V	98.9	Very high	97.1	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	124	164.6	-171	0	0	0	0	108.1	L77 A78 F90 L115 V118 A119 H150 I151	L77-V92 WeakPolarHBondContact O-CA 3.3Å; A78-V92 HydrophobicContact CB-CG2 3.99Å; F90-V92 HydrophobicContact CD2-CG2 4.09Å; F90-V92 HydrophobicContact CE2-CG2 3.75Å; V92-L115 HydrophobicContact CG1-CB 4.4Å; V92-L115 HydrophobicContact CG1-CD2 4Å; V92-V118 HydrophobicContact CG1-CB 4.29Å; V92-V118 HydrophobicContact CG1-CG1 3.86Å; V92-V118 HydrophobicContact CG2-CG1 4.49Å; V92-A119 HydrophobicContact CG2-CB 3.93Å; V92-H150 WeakPolarHBondContact O-CA 3.3Å; V92-I151 HydrophobicContact CB-CB 4.3Å; V92-I151 PolarHBondContact N-O 3.49Å; V92-I151 PolarHBondContact O-N 2.93Å
93	I	98.7	Very high	97.2	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	142.9	-176.5	69.5	169.5	0	0	0	110.9	F57 I61 C76 L77 F79 L91 H150	F57-I93 HydrophobicContact CB-CD1 3.8Å; F57-I93 HydrophobicContact CD2-CD1 4.46Å; F57-I93 HydrophobicContact CD2-CG2 4.02Å; F57-I93 HydrophobicContact CE2-CG2 4.25Å; F57-I93 HydrophobicContact CG-CD1 4.2Å; I61-I93 HydrophobicContact CD1-CD1 3.79Å; I61-I93 HydrophobicContact CG1-CD1 3.77Å; C76-I93 CarbonylContact C-O 3.52Å; C76-I93 WeakPolarHBondContact CA-O 3.37Å; C76-I93 WeakPolarHBondContact CB-O 3.32Å; L77-I93 HydrophobicContact CB-CG1 4.06Å; L77-I93 PolarHBondContact N-O 3.19Å; L77-I93 PolarHBondContact O-N 2.87Å; F79-I93 HydrophobicContact CE1-CD1 3.71Å; F79-I93 HydrophobicContact CE1-CG1 4Å; F79-I93 HydrophobicContact CE1-CG2 4.09Å; F79-I93 HydrophobicContact CZ-CD1 4.44Å; F79-I93 HydrophobicContact CZ-CG2 4.48Å; L91-I93 HydrophobicContact CB-CG2 4.41Å; I93-H150 HydrophobicContact CG2-CB 3.59Å
94	P	98.5	Very high	97.5	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	150.9	168.8	30.9	-30.4	0	0	0	110.2	V96 L111 L115 H148 L149	P94-V96 VanDerWaalsContact C-N 3.35Å; P94-V96 WeakPolarHBondContact CG-O 3.45Å; P94-L111 HydrophobicContact CB-CD1 4.27Å; P94-L111 HydrophobicContact CB-CD2 3.94Å; P94-L111 HydrophobicContact CB-CG 4.34Å; P94-L115 HydrophobicContact CB-CD1 4.23Å; P94-L115 HydrophobicContact CB-CD2 4.26Å; P94-L115 HydrophobicContact CG-CD1 4.23Å; P94-H148 PolarHBondContact O-NE2 3.01Å; P94-L149 WeakPolarHBondContact CD-O 3.47Å; P94-L149 HydrophobicContact CG-CB 4.13Å; P94-L149 HydrophobicContact CG-CD2 4.35Å
95	R	97.8	Very high	97.6	Very high	73 Å²	73	39 Å²	39	28%	0.275	22%	0.22	S	C	.	.	S	Bend	trans	-70	-35.2	169.5	-70.8	-171	-177.2	-88.6	4.4	112.2	I61 E72 D73 D74 K75	I61-R95 HydrophobicContact CG2-CG 4.45Å; E72-R95 VanDerWaalsContact CD-NH2 3.29Å; E72-R95 IonicContact OE1-CZ 3.19Å; E72-R95 IonicContact OE1-NH1 3.6Å; E72-R95 IonicContact OE1-NH2 3.63Å; E72-R95 PolarHBondContact OE1-NH2 3.46Å; D73-R95 VanDerWaalsContact O-CZ 3.24Å; D73-R95 PolarHBondContact O-NE 2.7Å; D73-R95 PolarHBondContact O-NH2 2.82Å; D74-R95 WeakPolarHBondContact O-CD 3.29Å; K75-R95 PolarHBondContact O-N 2.8Å
96	V	96.3	Very high	97.7	Very high	84 Å²	84	44.9 Å²	44.9	51%	0.509	25%	0.253	S	S	.	.	S	Bend	trans	-68.3	130.6	172.9	178	0	0	0	0	108.7	P94 I98	P94-V96 VanDerWaalsContact C-N 3.35Å; P94-V96 WeakPolarHBondContact CG-O 3.45Å; V96-I98 VanDerWaalsContact C-N 3.28Å; V96-I98 HydrophobicContact CG1-CG1 4.35Å; V96-I98 PolarHBondContact O-N 2.92Å
97	P	94.6	Very high	97.7	Very high	92 Å²	92	52.2 Å²	52.2	60%	0.597	29%	0.292	S	S	*	.			trans	-79.1	72.5	-175.2	33.1	-36.7	0	0	0	111.8	P99	P97-P99 WeakPolarHBondContact O-CD 3.13Å
98	I	96.7	Very high	97.8	Very high	9 Å²	9	50.7 Å²	50.7	5%	0.046	28%	0.28	C	S	.	.			trans	-74.3	117.7	167.4	-58.8	175.7	0	0	0	106.9	V96 R100 A104 D108 L111 H148 L149	V96-I98 VanDerWaalsContact C-N 3.28Å; V96-I98 HydrophobicContact CG1-CG1 4.35Å; V96-I98 PolarHBondContact O-N 2.92Å; I98-R100 WeakPolarHBondContact CG2-O 3.08Å; I98-R100 PolarHBondContact O-N 3.24Å; I98-A104 HydrophobicContact CG2-CB 4.32Å; I98-D108 HydrophobicContact CD1-CB 4.19Å; I98-L111 HydrophobicContact CD1-CD2 3.97Å; I98-H148 CarbonylContact O-C 3.55Å; I98-H148 WeakPolarHBondContact O-CA 3.42Å; I98-L149 HydrophobicContact CB-CB 4.12Å; I98-L149 HydrophobicContact CB-CD2 4.43Å; I98-L149 HydrophobicContact CD1-CD2 4.43Å; I98-L149 HydrophobicContact CG2-CB 4.26Å; I98-L149 HydrophobicContact CG2-CD2 4.29Å; I98-L149 WeakPolarHBondContact O-CB 3.46Å; I98-L149 PolarHBondContact O-N 3.02Å
99	P	96.9	Very high	97.8	Very high	43 Å²	43	53.4 Å²	53.4	28%	0.279	30%	0.304	S	S	.	.			trans	-72.9	-29.2	-168.9	25.1	-33.1	0	0	0	114	Y49 P97 A103 Q144 Y147 H148	Y49-P99 HydrophobicContact CE2-CB 4.19Å; P97-P99 WeakPolarHBondContact O-CD 3.13Å; P99-A103 HydrophobicContact CG-CB 3.83Å; P99-Q144 PolarHBondContact O-NE2 3.24Å; P99-Y147 WeakPolarHBondContact CA-O 3.44Å; P99-Y147 CarbonylContact O-C 3.57Å; P99-Y147 WeakPolarHBondContact O-CA 3.48Å; P99-H148 PolarHBondContact O-N 3.41Å
100	R	97.8	Very high	97.8	Very high	45 Å²	45	59.6 Å²	59.6	17%	0.17	33%	0.332	C	S	.	.	S	Bend	trans	-164.7	162.2	-179.4	60.9	-171.8	-63.3	-178.2	-13.9	109.5	I98 S102 A103 D138	I98-R100 WeakPolarHBondContact CG2-O 3.08Å; I98-R100 PolarHBondContact O-N 3.24Å; R100-S102 VanDerWaalsContact C-N 3.31Å; R100-S102 WeakPolarHBondContact CD-OG 3.45Å; R100-S102 PolarHBondContact NE-OG 2.71Å; R100-S102 PolarHBondContact O-N 2.79Å; R100-A103 HydrophobicContact CG-CB 3.9Å; R100-A103 PolarHBondContact O-N 3.28Å; R100-D138 IonicContact CZ-OD1 3.48Å; R100-D138 IonicContact CZ-OD2 3.38Å; R100-D138 IonicContact NE-OD1 3.71Å; R100-D138 PolarHBondContact NE-OD1 3.43Å; R100-D138 IonicContact NE-OD2 3.16Å; R100-D138 IonicContact NH2-OD1 3.38Å; R100-D138 PolarHBondContact NH2-OD1 3.06Å; R100-D138 IonicContact NH2-OD2 2.85Å; R100-D138 PolarHBondContact NH2-OD2 3.43Å
101	I	98.4	Very high	97.8	Very high	55 Å²	55	60.6 Å²	60.6	28%	0.282	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	-64.5	-35.1	-175.1	-169.8	61.2	0	0	0	112.6	A103 A104 L112 I136 D138 L149	I101-A103 PolarHBondContact O-N 3.1Å; I101-A103 VanDerWaalsContact O-N 3.15Å; I101-A104 HydrophobicContact CD1-CB 4.38Å; I101-A104 VanDerWaalsContact O-CB 3.3Å; I101-A104 WeakPolarHBondContact O-CB 3.49Å; I101-A104 PolarHBondContact O-N 3.36Å; I101-A104 VanDerWaalsContact O-N 3.08Å; I101-L112 HydrophobicContact CD1-CD1 4.11Å; I101-L112 HydrophobicContact CD1-CD2 3.81Å; I101-I136 HydrophobicContact CB-CG2 3.91Å; I101-I136 HydrophobicContact CG1-CG2 4.39Å; I101-I136 HydrophobicContact CG2-CG2 4.02Å; I101-D138 HydrophobicContact CG2-CB 3.74Å; I101-D138 WeakPolarHBondContact CG2-OD1 3.31Å; I101-L149 HydrophobicContact CB-CD1 3.95Å; I101-L149 HydrophobicContact CD1-CD1 4.19Å; I101-L149 HydrophobicContact CD1-CD2 4.4Å
102	S	98.1	Very high	97.8	Very high	77 Å²	77	62.3 Å²	62.3	54%	0.538	35%	0.347	S	S	.	.	G	3₁₀ helix	trans	-69.4	-6.3	175.6	49.4	0	0	0	0	114.7	R100 D138	R100-S102 VanDerWaalsContact C-N 3.31Å; R100-S102 WeakPolarHBondContact CD-OG 3.45Å; R100-S102 PolarHBondContact NE-OG 2.71Å; R100-S102 PolarHBondContact O-N 2.79Å; S102-D138 PolarHBondContact N-OD1 3.21Å; S102-D138 PolarHBondContact OG-OD1 3.42Å; S102-D138 PolarHBondContact OG-OD2 2.9Å
103	A	97.3	Very high	97.8	Very high	41 Å²	41	63.9 Å²	63.9	34%	0.339	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-104.3	0.1	173	0	0	0	0	0	113.1	P99 R100 I101	P99-A103 HydrophobicContact CG-CB 3.83Å; R100-A103 HydrophobicContact CG-CB 3.9Å; R100-A103 PolarHBondContact O-N 3.28Å; I101-A103 PolarHBondContact O-N 3.1Å; I101-A103 VanDerWaalsContact O-N 3.15Å
104	A	97.8	Very high	97.8	Very high	30 Å²	30	66 Å²	66	25%	0.248	37%	0.372	C	S	.	.			trans	-66.2	146.2	172.3	0	0	0	0	0	110.2	I98 I101 D108 L112	I98-A104 HydrophobicContact CG2-CB 4.32Å; I101-A104 HydrophobicContact CD1-CB 4.38Å; I101-A104 VanDerWaalsContact O-CB 3.3Å; I101-A104 WeakPolarHBondContact O-CB 3.49Å; I101-A104 PolarHBondContact O-N 3.36Å; I101-A104 VanDerWaalsContact O-N 3.08Å; A104-D108 HydrophobicContact CB-CB 4.49Å; A104-L112 HydrophobicContact CB-CD1 4.09Å
105	K	98.1	Very high	97.8	Very high	153 Å²	153	66 Å²	66	67%	0.665	37%	0.372	S	S	*	.			trans	-100.8	164.1	177.6	-59.9	175.7	-176.3	175.9	0	110	D107 D108	K105-D107 PolarHBondContact O-N 3.14Å; K105-D108 PolarHBondContact N-OD2 3.17Å; K105-D108 VanDerWaalsContact O-CB 3.32Å; K105-D108 WeakPolarHBondContact O-CB 3.32Å; K105-D108 PolarHBondContact O-N 3.49Å
106	D	97.8	Very high	97.9	Very high	155 Å²	155	66.7 Å²	66.7	83%	0.829	38%	0.381	S	S	*	.	G	3₁₀ helix	trans	-58.3	-35.6	176.6	-64.5	-22.1	0	0	0	112	D108 A109	D106-D108 PolarHBondContact O-N 2.97Å; D106-A109 VanDerWaalsContact O-CB 3.27Å; D106-A109 WeakPolarHBondContact O-CB 3.32Å; D106-A109 PolarHBondContact O-N 3.43Å; D106-A109 VanDerWaalsContact O-N 3.13Å
107	D	97.5	Very high	98	Very high	154 Å²	154	66.5 Å²	66.5	82%	0.824	38%	0.38	S	S	*	.	G	3₁₀ helix	trans	-66.7	-15.3	176.2	-65.3	-17.5	0	0	0	113.5	K105 A109	K105-D107 PolarHBondContact O-N 3.14Å; D107-A109 VanDerWaalsContact C-N 3.25Å; D107-A109 PolarHBondContact O-N 3.39Å
108	D	98.3	Very high	98.2	Very high	32 Å²	32	62.2 Å²	62.2	17%	0.171	35%	0.352	C	S	.	.	G	3₁₀ helix	trans	-81	-2.9	175.5	-63.1	-49.4	0	0	0	112.4	I98 A104 K105 D106 E110 L111 L112	I98-D108 HydrophobicContact CD1-CB 4.19Å; A104-D108 HydrophobicContact CB-CB 4.49Å; K105-D108 PolarHBondContact N-OD2 3.17Å; K105-D108 VanDerWaalsContact O-CB 3.32Å; K105-D108 WeakPolarHBondContact O-CB 3.32Å; K105-D108 PolarHBondContact O-N 3.49Å; D106-D108 PolarHBondContact O-N 2.97Å; D108-E110 VanDerWaalsContact C-N 3.32Å; D108-E110 PolarHBondContact O-N 3.18Å; D108-L111 WeakPolarHBondContact O-CA 3.15Å; D108-L111 WeakPolarHBondContact O-CB 3.04Å; D108-L111 PolarHBondContact O-N 2.66Å; D108-L112 HydrophobicContact CB-CG 4.4Å; D108-L112 WeakPolarHBondContact O-CG 3.17Å; D108-L112 PolarHBondContact O-N 2.99Å
109	A	98.3	Very high	98.3	Very high	65 Å²	65	61.8 Å²	61.8	54%	0.537	35%	0.35	S	S	.	.	H	α-helix	trans	-54.3	-42.7	-174.2	0	0	0	0	0	113.7	D106 D107 L112 G113	D106-A109 VanDerWaalsContact O-CB 3.27Å; D106-A109 WeakPolarHBondContact O-CB 3.32Å; D106-A109 PolarHBondContact O-N 3.43Å; D106-A109 VanDerWaalsContact O-N 3.13Å; D107-A109 VanDerWaalsContact C-N 3.25Å; D107-A109 PolarHBondContact O-N 3.39Å; A109-L112 PolarHBondContact O-N 2.7Å; A109-G113 PolarHBondContact O-N 2.89Å
110	E	98.6	Very high	98.4	Very high	137 Å²	137	65.1 Å²	65.1	64%	0.64	36%	0.36	S	S	*	.	H	α-helix	trans	-64.4	-42.6	176.7	-169.5	-164.5	128.8	0	0	111.3	K75 D108 G113 H114	K75-E110 IonicContact NZ-OE1 3.54Å; K75-E110 PolarHBondContact NZ-OE1 2.75Å; D108-E110 VanDerWaalsContact C-N 3.32Å; D108-E110 PolarHBondContact O-N 3.18Å; E110-G113 PolarHBondContact O-N 2.94Å; E110-H114 WeakPolarHBondContact O-CB 3.36Å; E110-H114 PolarHBondContact O-N 2.9Å
111	L	98.8	Very high	98.4	Very high	21 Å²	21	65.9 Å²	65.9	11%	0.11	37%	0.368	C	S	.	.	H	α-helix	trans	-63.8	-46.2	177.5	176	60.9	0	0	0	110.8	K75 P94 I98 D108 G113 H114 L115	K75-L111 HydrophobicContact CB-CD1 4.01Å; P94-L111 HydrophobicContact CB-CD1 4.27Å; P94-L111 HydrophobicContact CB-CD2 3.94Å; P94-L111 HydrophobicContact CB-CG 4.34Å; I98-L111 HydrophobicContact CD1-CD2 3.97Å; D108-L111 WeakPolarHBondContact O-CA 3.15Å; D108-L111 WeakPolarHBondContact O-CB 3.04Å; D108-L111 PolarHBondContact O-N 2.66Å; L111-G113 VanDerWaalsContact C-N 3.31Å; L111-G113 PolarHBondContact O-N 3.38Å; L111-H114 WeakPolarHBondContact O-CA 3.46Å; L111-H114 VanDerWaalsContact O-CB 3.31Å; L111-H114 WeakPolarHBondContact O-CB 3.42Å; L111-H114 PolarHBondContact O-N 3.17Å; L111-H114 VanDerWaalsContact O-N 3.12Å; L111-L115 HydrophobicContact CD1-CD2 4.47Å; L111-L115 WeakPolarHBondContact O-CG 3.12Å; L111-L115 PolarHBondContact O-N 2.85Å
112	L	98.8	Very high	98.4	Very high	43 Å²	43	63.3 Å²	63.3	23%	0.225	36%	0.355	C	S	.	.	H	α-helix	trans	-60.7	-41.8	177.4	-65.1	176.8	0	0	0	111.7	I101 A104 D108 A109 L115 L116 L149	I101-L112 HydrophobicContact CD1-CD1 4.11Å; I101-L112 HydrophobicContact CD1-CD2 3.81Å; A104-L112 HydrophobicContact CB-CD1 4.09Å; D108-L112 HydrophobicContact CB-CG 4.4Å; D108-L112 WeakPolarHBondContact O-CG 3.17Å; D108-L112 PolarHBondContact O-N 2.99Å; A109-L112 PolarHBondContact O-N 2.7Å; L112-L115 HydrophobicContact CD2-CD1 4.49Å; L112-L115 PolarHBondContact O-N 3.24Å; L112-L116 PolarHBondContact O-N 3.31Å; L112-L149 HydrophobicContact CD2-CD2 3.53Å
113	G	98.8	Very high	98.5	Very high	32 Å²	32	59.7 Å²	59.7	33%	0.33	33%	0.329	S	S	.	.	H	α-helix	trans	-60.9	-44.1	172.3	0	0	0	0	0	112.2	A109 E110 L111 L115 L116 V117	A109-G113 PolarHBondContact O-N 2.89Å; E110-G113 PolarHBondContact O-N 2.94Å; L111-G113 VanDerWaalsContact C-N 3.31Å; L111-G113 PolarHBondContact O-N 3.38Å; G113-L115 PolarHBondContact O-N 3.48Å; G113-L116 PolarHBondContact O-N 3.5Å; G113-V117 WeakPolarHBondContact O-CG2 3.3Å; G113-V117 PolarHBondContact O-N 3.16Å
114	H	98.9	Very high	98.5	Very high	44 Å²	44	65.6 Å²	65.6	20%	0.204	35%	0.347	C	S	.	.	H	α-helix	trans	-57.9	-46.1	176	-175.4	76.7	0	0	0	112	D73 E110 L111 L116 V117 V118	D73-H114 IonicContact OD1-NE2 2.67Å; D73-H114 IonicContact OD2-CD2 2.8Å; D73-H114 IonicContact OD2-CE1 3.7Å; D73-H114 PolarHBondContact OD2-CE1 3.36Å; D73-H114 IonicContact OD2-NE2 3.94Å; D73-H114 PolarHBondContact OD2-NE2 3.24Å; E110-H114 WeakPolarHBondContact O-CB 3.36Å; E110-H114 PolarHBondContact O-N 2.9Å; L111-H114 WeakPolarHBondContact O-CA 3.46Å; L111-H114 VanDerWaalsContact O-CB 3.31Å; L111-H114 WeakPolarHBondContact O-CB 3.42Å; L111-H114 PolarHBondContact O-N 3.17Å; L111-H114 VanDerWaalsContact O-N 3.12Å; H114-L116 VanDerWaalsContact C-N 3.32Å; H114-L116 PolarHBondContact O-N 2.97Å; H114-V117 PolarHBondContact O-N 2.76Å; H114-V118 WeakPolarHBondContact O-CG2 3.46Å; H114-V118 PolarHBondContact O-N 3.08Å
115	L	98.9	Very high	98.5	Very high	0 Å²	0	70 Å²	70	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-59.1	-41.3	178	-61.2	179.2	0	0	0	112.2	C76 V92 P94 L111 L112 G113 V118 A119 L149 I151	C76-L115 HydrophobicContact CB-CD2 3.42Å; C76-L115 VanDerWaalsContact CB-CD2 3.42Å; V92-L115 HydrophobicContact CG1-CB 4.4Å; V92-L115 HydrophobicContact CG1-CD2 4Å; P94-L115 HydrophobicContact CB-CD1 4.23Å; P94-L115 HydrophobicContact CB-CD2 4.26Å; P94-L115 HydrophobicContact CG-CD1 4.23Å; L111-L115 HydrophobicContact CD1-CD2 4.47Å; L111-L115 WeakPolarHBondContact O-CG 3.12Å; L111-L115 PolarHBondContact O-N 2.85Å; L112-L115 HydrophobicContact CD2-CD1 4.49Å; L112-L115 PolarHBondContact O-N 3.24Å; G113-L115 PolarHBondContact O-N 3.48Å; L115-V118 PolarHBondContact O-N 3.42Å; L115-A119 WeakPolarHBondContact O-CB 3.36Å; L115-A119 PolarHBondContact O-N 3.41Å; L115-L149 HydrophobicContact CD1-CD2 4.07Å; L115-I151 HydrophobicContact CB-CD1 3.52Å; L115-I151 HydrophobicContact CB-CG1 4.48Å; L115-I151 HydrophobicContact CD1-CD1 4.34Å
116	L	98.9	Very high	98.5	Very high	88 Å²	88	64.2 Å²	64.2	46%	0.461	34%	0.338	S	S	.	.	H	α-helix	trans	-69.2	-38.6	177.5	-70.7	173.5	0	0	0	112.5	L112 G113 H114 A119 K120 V134 I151	L112-L116 PolarHBondContact O-N 3.31Å; G113-L116 PolarHBondContact O-N 3.5Å; H114-L116 VanDerWaalsContact C-N 3.32Å; H114-L116 PolarHBondContact O-N 2.97Å; L116-A119 PolarHBondContact O-N 3.41Å; L116-K120 PolarHBondContact O-N 3.4Å; L116-V134 HydrophobicContact CD2-CG1 4.13Å; L116-I151 HydrophobicContact CD2-CD1 3.91Å; L116-I151 HydrophobicContact CG-CD1 4.26Å
117	V	98.9	Very high	98.5	Very high	80 Å²	80	61 Å²	61	49%	0.485	33%	0.327	S	S	.	.	H	α-helix	trans	-63.6	-44.9	174.9	170.4	0	0	0	0	110.6	G113 H114 K120 N121	G113-V117 WeakPolarHBondContact O-CG2 3.3Å; G113-V117 PolarHBondContact O-N 3.16Å; H114-V117 PolarHBondContact O-N 2.76Å; V117-K120 PolarHBondContact O-N 2.95Å; V117-N121 WeakPolarHBondContact O-CB 3.37Å; V117-N121 VanDerWaalsContact O-CG 3.23Å; V117-N121 PolarHBondContact O-N 3.21Å; V117-N121 PolarHBondContact O-ND2 3.09Å
118	V	98.9	Very high	98.5	Very high	2 Å²	2	54.3 Å²	54.3	1%	0.012	29%	0.292	C	S	.	.	H	α-helix	trans	-61.4	-47.8	175	169.5	0	0	0	0	110.6	Y71 V92 H114 L115 K120 N121 V122	Y71-V118 HydrophobicContact CD1-CG1 3.44Å; Y71-V118 VanDerWaalsContact CD1-CG1 3.44Å; Y71-V118 HydrophobicContact CD1-CG2 4.44Å; Y71-V118 HydrophobicContact CE1-CB 4.27Å; Y71-V118 HydrophobicContact CE1-CG1 3.54Å; Y71-V118 HydrophobicContact CE1-CG2 3.66Å; Y71-V118 HydrophobicContact CG-CG1 4.1Å; V92-V118 HydrophobicContact CG1-CB 4.29Å; V92-V118 HydrophobicContact CG1-CG1 3.86Å; V92-V118 HydrophobicContact CG2-CG1 4.49Å; H114-V118 WeakPolarHBondContact O-CG2 3.46Å; H114-V118 PolarHBondContact O-N 3.08Å; L115-V118 PolarHBondContact O-N 3.42Å; V118-K120 VanDerWaalsContact C-N 3.31Å; V118-K120 PolarHBondContact O-N 3.41Å; V118-N121 PolarHBondContact O-N 2.68Å; V118-N121 VanDerWaalsContact O-N 3.07Å; V118-V122 HydrophobicContact CG1-CG2 4.01Å; V118-V122 WeakPolarHBondContact O-CB 3.49Å; V118-V122 WeakPolarHBondContact O-CG2 3.39Å; V118-V122 PolarHBondContact O-N 2.91Å
119	A	98.8	Very high	98.4	Very high	1 Å²	1	57.5 Å²	57.5	1%	0.008	32%	0.316	C	S	.	.	H	α-helix	trans	-52.7	-47.4	176.7	0	0	0	0	0	112.3	V92 L115 L116 A123 V153	V92-A119 HydrophobicContact CG2-CB 3.93Å; L115-A119 WeakPolarHBondContact O-CB 3.36Å; L115-A119 PolarHBondContact O-N 3.41Å; L116-A119 PolarHBondContact O-N 3.41Å; A119-A123 VanDerWaalsContact O-CB 3.27Å; A119-A123 WeakPolarHBondContact O-CB 3.45Å; A119-A123 PolarHBondContact O-N 3.16Å; A119-V153 HydrophobicContact CB-CG2 3.78Å
120	K	98.7	Very high	98.4	Very high	112 Å²	112	63 Å²	63	49%	0.487	33%	0.331	S	S	.	.	H	α-helix	trans	-65.5	-40	176.7	171	-93.4	-168.2	170.1	0	112.9	L116 V117 V118 K124 Y132	L116-K120 PolarHBondContact O-N 3.4Å; V117-K120 PolarHBondContact O-N 2.95Å; V118-K120 VanDerWaalsContact C-N 3.31Å; V118-K120 PolarHBondContact O-N 3.41Å; K120-K124 PolarHBondContact O-N 2.92Å; K120-Y132 WeakPolarHBondContact CA-OH 3.2Å; K120-Y132 WeakPolarHBondContact CB-OH 3.34Å; K120-Y132 WeakPolarHBondContact CG-OH 3.44Å
121	N	98.8	Very high	98.4	Very high	62 Å²	62	58.4 Å²	58.4	33%	0.332	32%	0.321	S	S	.	.	H	α-helix	trans	-69.1	-42.3	179.9	-71.3	-21.1	0	0	0	111.8	V117 V118 K124 Q125	V117-N121 WeakPolarHBondContact O-CB 3.37Å; V117-N121 VanDerWaalsContact O-CG 3.23Å; V117-N121 PolarHBondContact O-N 3.21Å; V117-N121 PolarHBondContact O-ND2 3.09Å; V118-N121 PolarHBondContact O-N 2.68Å; V118-N121 VanDerWaalsContact O-N 3.07Å; N121-K124 WeakPolarHBondContact O-CB 3.25Å; N121-K124 PolarHBondContact O-N 3.27Å; N121-Q125 WeakPolarHBondContact O-CG 3.36Å; N121-Q125 PolarHBondContact O-N 3.15Å; N121-Q125 VanDerWaalsContact O-N 3.11Å
122	V	98.7	Very high	98.4	Very high	1 Å²	1	61.5 Å²	61.5	1%	0.006	33%	0.332	C	S	.	.	H	α-helix	trans	-67.9	-39.9	176.4	178.1	0	0	0	0	110.8	I70 Y71 A78 F90 V118 K124 Q125 E126	I70-V122 HydrophobicContact CD1-CG1 3.42Å; I70-V122 VanDerWaalsContact CD1-CG1 3.42Å; I70-V122 HydrophobicContact CG1-CG1 3.9Å; Y71-V122 HydrophobicContact CD2-CG2 4.29Å; Y71-V122 HydrophobicContact CG-CG2 3.99Å; A78-V122 HydrophobicContact CB-CG2 4.42Å; F90-V122 HydrophobicContact CD1-CG1 4.48Å; F90-V122 HydrophobicContact CD2-CG1 4.08Å; F90-V122 HydrophobicContact CE1-CG1 4.02Å; F90-V122 HydrophobicContact CE2-CB 3.85Å; F90-V122 HydrophobicContact CE2-CG1 3.57Å; F90-V122 HydrophobicContact CZ-CB 3.79Å; F90-V122 HydrophobicContact CZ-CG1 3.53Å; V118-V122 HydrophobicContact CG1-CG2 4.01Å; V118-V122 WeakPolarHBondContact O-CB 3.49Å; V118-V122 WeakPolarHBondContact O-CG2 3.39Å; V118-V122 PolarHBondContact O-N 2.91Å; V122-K124 VanDerWaalsContact C-N 3.26Å; V122-K124 PolarHBondContact O-N 3.4Å; V122-Q125 WeakPolarHBondContact O-CB 3.23Å; V122-Q125 PolarHBondContact O-N 3.23Å; V122-E126 HydrophobicContact CG1-CG 4.27Å; V122-E126 WeakPolarHBondContact O-CB 3.05Å; V122-E126 WeakPolarHBondContact O-CG 3.43Å; V122-E126 PolarHBondContact O-N 3.46Å
123	A	98.8	Very high	98.4	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-56.5	-40.5	173.4	0	0	0	0	0	112.3	F90 A119 E126 S127 L128 Y132 V153	F90-A123 HydrophobicContact CZ-CB 4.36Å; A119-A123 VanDerWaalsContact O-CB 3.27Å; A119-A123 WeakPolarHBondContact O-CB 3.45Å; A119-A123 PolarHBondContact O-N 3.16Å; A123-E126 CarbonylContact O-C 3.59Å; A123-E126 PolarHBondContact O-N 3.28Å; A123-S127 PolarHBondContact O-N 3.03Å; A123-L128 HydrophobicContact CB-CB 4.37Å; A123-L128 HydrophobicContact CB-CD1 4.04Å; A123-L128 WeakPolarHBondContact O-CB 3.37Å; A123-L128 PolarHBondContact O-N 3.28Å; A123-Y132 HydrophobicContact CB-CD1 3.86Å; A123-Y132 HydrophobicContact CB-CD2 4.4Å; A123-Y132 HydrophobicContact CB-CE1 3.66Å; A123-Y132 HydrophobicContact CB-CE2 4.22Å; A123-Y132 HydrophobicContact CB-CG 4.24Å; A123-V153 HydrophobicContact CB-CG1 4.17Å
124	K	98.4	Very high	98.4	Very high	166 Å²	166	63.6 Å²	63.6	72%	0.722	33%	0.333	S	S	*	.	H	α-helix	trans	-64.3	-43	174.2	-177.3	179.3	177.7	-179.3	0	112.1	K120 N121 V122 E126 S127	K120-K124 PolarHBondContact O-N 2.92Å; N121-K124 WeakPolarHBondContact O-CB 3.25Å; N121-K124 PolarHBondContact O-N 3.27Å; V122-K124 VanDerWaalsContact C-N 3.26Å; V122-K124 PolarHBondContact O-N 3.4Å; K124-E126 VanDerWaalsContact C-N 3.28Å; K124-E126 PolarHBondContact O-N 3.34Å; K124-S127 PolarHBondContact O-N 3.23Å; K124-S127 VanDerWaalsContact O-N 3.14Å
125	Q	98.2	Very high	98.4	Very high	122 Å²	122	63.3 Å²	63.3	57%	0.57	33%	0.334	S	S	*	.	H	α-helix	trans	-63.3	-37.2	176.6	-68.9	169.8	-13.8	0	0	111.7	N121 V122 S127	N121-Q125 WeakPolarHBondContact O-CG 3.36Å; N121-Q125 PolarHBondContact O-N 3.15Å; N121-Q125 VanDerWaalsContact O-N 3.11Å; V122-Q125 WeakPolarHBondContact O-CB 3.23Å; V122-Q125 PolarHBondContact O-N 3.23Å; Q125-S127 PolarHBondContact O-N 3.17Å
126	E	97.5	Very high	98.3	Very high	32 Å²	32	66.3 Å²	66.3	15%	0.15	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	7.9	175.9	-71	-69	128.5	0	0	113.7	R27 I70 R80 I88 F90 V122 A123 K124 L128	R27-E126 IonicContact NH2-OE2 2.87Å; R27-E126 PolarHBondContact NH2-OE2 2.6Å; I70-E126 HydrophobicContact CD1-CG 4.46Å; R80-E126 IonicContact CZ-OE1 2.7Å; R80-E126 IonicContact CZ-OE2 3.19Å; R80-E126 IonicContact NH1-OE1 2.85Å; R80-E126 IonicContact NH1-OE2 3.92Å; R80-E126 PolarHBondContact NH1-OE2 3.13Å; R80-E126 IonicContact NH2-OE1 3.25Å; R80-E126 PolarHBondContact NH2-OE1 3.15Å; R80-E126 IonicContact NH2-OE2 3.88Å; R80-E126 PolarHBondContact NH2-OE2 2.84Å; I88-E126 HydrophobicContact CD1-CB 4.2Å; I88-E126 WeakPolarHBondContact CD1-O 3.36Å; I88-E126 HydrophobicContact CG2-CB 4.01Å; I88-E126 HydrophobicContact CG2-CG 4.32Å; F90-E126 HydrophobicContact CE1-CG 4.38Å; V122-E126 HydrophobicContact CG1-CG 4.27Å; V122-E126 WeakPolarHBondContact O-CB 3.05Å; V122-E126 WeakPolarHBondContact O-CG 3.43Å; V122-E126 PolarHBondContact O-N 3.46Å; A123-E126 CarbonylContact O-C 3.59Å; A123-E126 PolarHBondContact O-N 3.28Å; K124-E126 VanDerWaalsContact C-N 3.28Å; K124-E126 PolarHBondContact O-N 3.34Å; E126-L128 VanDerWaalsContact C-N 3.34Å; E126-L128 PolarHBondContact O-N 3.47Å
127	S	97.3	Very high	98.3	Very high	86 Å²	86	63.7 Å²	63.7	60%	0.601	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.3	33.5	176.7	-52.5	0	0	0	0	114.6	A123 K124 Q125 S129	A123-S127 PolarHBondContact O-N 3.03Å; K124-S127 PolarHBondContact O-N 3.23Å; K124-S127 VanDerWaalsContact O-N 3.14Å; Q125-S127 PolarHBondContact O-N 3.17Å; S127-S129 PolarHBondContact O-N 2.9Å
128	L	97.7	Very high	98.3	Very high	14 Å²	14	62.3 Å²	62.3	7%	0.073	33%	0.326	C	S	.	.			trans	-81.1	64.8	171.6	-64.5	177.3	0	0	0	111.5	I88 A123 E126 Y132 V153	I88-L128 HydrophobicContact CB-CD1 4.26Å; I88-L128 HydrophobicContact CB-CD2 3.98Å; I88-L128 HydrophobicContact CB-CG 4.45Å; I88-L128 HydrophobicContact CD1-CD2 3.53Å; I88-L128 HydrophobicContact CD1-CG 3.96Å; I88-L128 HydrophobicContact CG1-CD2 3.78Å; I88-L128 HydrophobicContact CG2-CD1 4.02Å; I88-L128 HydrophobicContact CG2-CD2 4.47Å; I88-L128 HydrophobicContact CG2-CG 4.4Å; A123-L128 HydrophobicContact CB-CB 4.37Å; A123-L128 HydrophobicContact CB-CD1 4.04Å; A123-L128 WeakPolarHBondContact O-CB 3.37Å; A123-L128 PolarHBondContact O-N 3.28Å; E126-L128 VanDerWaalsContact C-N 3.34Å; E126-L128 PolarHBondContact O-N 3.47Å; L128-Y132 HydrophobicContact CB-CD1 3.98Å; L128-Y132 HydrophobicContact CD1-CD1 4.48Å; L128-Y132 HydrophobicContact CD1-CG 4.33Å; L128-V153 HydrophobicContact CD1-CG1 4.27Å
129	S	96.4	Very high	98.2	Very high	99 Å²	99	62.2 Å²	62.2	69%	0.692	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-33.4	-179.1	60.7	0	0	0	0	113.8	S127 G131	S127-S129 PolarHBondContact O-N 2.9Å; S129-G131 PolarHBondContact O-N 3.38Å
130	E	97.6	Very high	98	Very high	181 Å²	181	67 Å²	67	85%	0.846	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	12.4	-176.4	-53.7	-50.6	112.6	0	0	113.4
131	G	98.1	Very high	97.9	Very high	41 Å²	41	70.4 Å²	70.4	42%	0.423	36%	0.364	S	S	.	.			trans	97	170.9	-177	0	0	0	0	0	114.2	S129	S129-G131 PolarHBondContact O-N 3.38Å
132	Y	98.8	Very high	97.8	Very high	86 Å²	86	68.7 Å²	68.7	34%	0.337	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161	165.6	-176.4	54.5	-91.7	0	0	0	110.2	K120 A123 L128 V134 V153 L154	K120-Y132 WeakPolarHBondContact CA-OH 3.2Å; K120-Y132 WeakPolarHBondContact CB-OH 3.34Å; K120-Y132 WeakPolarHBondContact CG-OH 3.44Å; A123-Y132 HydrophobicContact CB-CD1 3.86Å; A123-Y132 HydrophobicContact CB-CD2 4.4Å; A123-Y132 HydrophobicContact CB-CE1 3.66Å; A123-Y132 HydrophobicContact CB-CE2 4.22Å; A123-Y132 HydrophobicContact CB-CG 4.24Å; L128-Y132 HydrophobicContact CB-CD1 3.98Å; L128-Y132 HydrophobicContact CD1-CD1 4.48Å; L128-Y132 HydrophobicContact CD1-CG 4.33Å; Y132-V134 HydrophobicContact CD2-CG2 3.92Å; Y132-V134 HydrophobicContact CE2-CG2 3.72Å; Y132-V153 HydrophobicContact CD2-CG1 3.86Å; Y132-V153 HydrophobicContact CE2-CG1 4.47Å; Y132-V153 HydrophobicContact CG-CG1 4.31Å; Y132-L154 CarbonylContact C-O 3.55Å; Y132-L154 VanDerWaalsContact CA-O 3.29Å; Y132-L154 WeakPolarHBondContact CA-O 3.21Å; Y132-L154 VanDerWaalsContact CB-O 3.29Å; Y132-L154 WeakPolarHBondContact CB-O 3.29Å
133	R	98.8	Very high	97.7	Very high	58 Å²	58	70.1 Å²	70.1	22%	0.219	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	135.1	173.8	-178.5	171.4	-69.9	161.4	0.3	110.2	V135 V153 L154 M159 E160	R133-V135 HydrophobicContact CG-CG2 3.73Å; R133-V153 WeakPolarHBondContact O-CA 3.2Å; R133-L154 PolarHBondContact N-O 3.29Å; R133-L154 PolarHBondContact O-N 3.33Å; R133-M159 HydrophobicContact CB-CG 3.92Å; R133-M159 HydrophobicContact CB-SD 4.33Å; R133-E160 VanDerWaalsContact CZ-O 3.26Å; R133-E160 PolarHBondContact NH1-O 2.98Å; R133-E160 PolarHBondContact NH2-O 3.28Å
134	V	98.8	Very high	97.6	Very high	60 Å²	60	70.1 Å²	70.1	36%	0.364	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	130.5	170.8	179.8	0	0	0	0	108.1	L116 Y132 I151 H152	L116-V134 HydrophobicContact CD2-CG1 4.13Å; Y132-V134 HydrophobicContact CD2-CG2 3.92Å; Y132-V134 HydrophobicContact CE2-CG2 3.72Å; V134-I151 HydrophobicContact CG1-CG2 3.31Å; V134-H152 CarbonylContact C-O 3.55Å; V134-H152 VanDerWaalsContact CA-O 3.31Å; V134-H152 WeakPolarHBondContact CA-O 3.25Å
135	V	98.7	Very high	97.4	Very high	38 Å²	38	63.4 Å²	63.4	23%	0.23	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	133.5	-179.7	-172.3	0	0	0	0	110.1	R133 N137 H152 L154	R133-V135 HydrophobicContact CG-CG2 3.73Å; V135-N137 WeakPolarHBondContact CG1-OD1 3.07Å; V135-H152 HydrophobicContact CB-CB 4.13Å; V135-H152 PolarHBondContact N-O 3.45Å; V135-H152 PolarHBondContact O-N 3.47Å; V135-L154 HydrophobicContact CG2-CD1 3.87Å
136	I	98.7	Very high	97.3	Very high	64 Å²	64	58.7 Å²	58.7	33%	0.328	32%	0.324	S	S	.	.			trans	-122.3	118	168.4	-57.1	179.1	0	0	0	106.7	I101 L149 I151	I101-I136 HydrophobicContact CB-CG2 3.91Å; I101-I136 HydrophobicContact CG1-CG2 4.39Å; I101-I136 HydrophobicContact CG2-CG2 4.02Å; I136-L149 HydrophobicContact CG2-CD1 3.88Å; I136-I151 HydrophobicContact CD1-CD1 4.12Å; I136-I151 HydrophobicContact CD1-CG1 3.99Å; I136-I151 HydrophobicContact CG1-CB 4.46Å; I136-I151 HydrophobicContact CG1-CG1 4.01Å; I136-I151 HydrophobicContact CG1-CG2 4.35Å
137	N	98.4	Very high	97.3	Very high	33 Å²	33	58.6 Å²	58.6	18%	0.176	32%	0.322	C	S	.	.			trans	-94.6	133.8	-178.6	-72.1	-16	0	0	0	109.8	V135 G142 S143 Q144	V135-N137 WeakPolarHBondContact CG1-OD1 3.07Å; N137-G142 WeakPolarHBondContact CB-O 3.47Å; N137-G142 PolarHBondContact ND2-O 3.24Å; N137-G142 PolarHBondContact OD1-O 3.14Å; N137-S143 PolarHBondContact ND2-O 2.94Å; N137-Q144 HydrophobicContact CB-CB 4.09Å
138	D	98.3	Very high	97.3	Very high	50 Å²	50	54.6 Å²	54.6	27%	0.267	29%	0.294	S	S	.	.			trans	-122.9	114.1	179.8	-170.6	66.5	0	0	0	111.1	R100 I101 S102 G142	R100-D138 IonicContact CZ-OD1 3.48Å; R100-D138 IonicContact CZ-OD2 3.38Å; R100-D138 IonicContact NE-OD1 3.71Å; R100-D138 PolarHBondContact NE-OD1 3.43Å; R100-D138 IonicContact NE-OD2 3.16Å; R100-D138 IonicContact NH2-OD1 3.38Å; R100-D138 PolarHBondContact NH2-OD1 3.06Å; R100-D138 IonicContact NH2-OD2 2.85Å; R100-D138 PolarHBondContact NH2-OD2 3.43Å; I101-D138 HydrophobicContact CG2-CB 3.74Å; I101-D138 WeakPolarHBondContact CG2-OD1 3.31Å; S102-D138 PolarHBondContact N-OD1 3.21Å; S102-D138 PolarHBondContact OG-OD1 3.42Å; S102-D138 PolarHBondContact OG-OD2 2.9Å; D138-G142 PolarHBondContact O-N 3.26Å
139	G	96.3	Very high	97.3	Very high	1 Å²	1	54 Å²	54	1%	0.01	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.8	-163.7	177.1	0	0	0	0	0	115.1	H141 G142 S143 Q144	G139-H141 PolarHBondContact O-N 3.45Å; G139-G142 PolarHBondContact O-N 3.1Å; G139-S143 PolarHBondContact O-N 3.23Å; G139-Q144 WeakPolarHBondContact O-CB 3.46Å; G139-Q144 PolarHBondContact O-N 3.08Å
140	K	95.5	Very high	97.5	Very high	100 Å²	100	49.5 Å²	49.5	44%	0.435	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-49.6	-175.9	-178.4	-177	173.9	-179.9	0	112.5	E43 G142 S143	E43-K140 IonicContact OE1-NZ 3.56Å; K140-G142 VanDerWaalsContact C-N 3.33Å; K140-G142 PolarHBondContact O-N 3.21Å; K140-S143 PolarHBondContact O-N 2.72Å; K140-S143 VanDerWaalsContact O-N 3.08Å
141	H	95.6	Very high	97.5	Very high	185 Å²	185	41 Å²	41	86%	0.856	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-23.3	-174.9	-70.6	-64.2	0	0	0	113.7	G139	G139-H141 PolarHBondContact O-N 3.45Å
142	G	96.9	Very high	97.5	Very high	26 Å²	26	39.6 Å²	39.6	27%	0.268	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	0.1	168.7	0	0	0	0	0	113.5	N137 D138 G139 K140 Q144	N137-G142 WeakPolarHBondContact CB-O 3.47Å; N137-G142 PolarHBondContact ND2-O 3.24Å; N137-G142 PolarHBondContact OD1-O 3.14Å; D138-G142 PolarHBondContact O-N 3.26Å; G139-G142 PolarHBondContact O-N 3.1Å; K140-G142 VanDerWaalsContact C-N 3.33Å; K140-G142 PolarHBondContact O-N 3.21Å; G142-Q144 PolarHBondContact O-N 3.38Å
143	S	96.3	Very high	97.5	Very high	30 Å²	30	35.5 Å²	35.5	21%	0.21	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.8	42	-172.9	-58.7	0	0	0	0	113.8	A42 N137 G139 K140 S145	A42-S143 VanDerWaalsContact CB-CA 3.46Å; N137-S143 PolarHBondContact ND2-O 2.94Å; G139-S143 PolarHBondContact O-N 3.23Å; K140-S143 PolarHBondContact O-N 2.72Å; K140-S143 VanDerWaalsContact O-N 3.08Å; S143-S145 PolarHBondContact O-N 3.44Å
144	Q	97.6	Very high	97.5	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.005	18%	0.18	C	C	.	.			trans	-76.2	107.5	174.5	-169.5	-176.9	1.1	0	0	111.3	A42 P99 N137 G139 G142 V146	A42-Q144 WeakPolarHBondContact CA-O 3.38Å; A42-Q144 WeakPolarHBondContact CB-O 3.15Å; P99-Q144 PolarHBondContact O-NE2 3.24Å; N137-Q144 HydrophobicContact CB-CB 4.09Å; G139-Q144 WeakPolarHBondContact O-CB 3.46Å; G139-Q144 PolarHBondContact O-N 3.08Å; G142-Q144 PolarHBondContact O-N 3.38Å; Q144-V146 WeakPolarHBondContact CG-O 3.26Å; Q144-V146 PolarHBondContact NE2-O 3.14Å
145	S	94.6	Very high	97.5	Very high	25 Å²	25	30.8 Å²	30.8	18%	0.175	16%	0.163	C	C	.	.			trans	-87.1	-19.9	-176.9	52.4	0	0	0	0	114.5	E38 A45 S143	E38-S145 PolarHBondContact OE2-OG 3.39Å; A45-S145 WeakPolarHBondContact CB-O 3.37Å; S143-S145 PolarHBondContact O-N 3.44Å
146	V	96	Very high	97.5	Very high	22 Å²	22	31.4 Å²	31.4	13%	0.133	18%	0.177	C	C	.	.	S	Bend	trans	-132	127.8	174.4	-176	0	0	0	0	110.6	T55 I56 F57 Q144 H148 H150	T55-V146 HydrophobicContact CG2-CG1 4.49Å; I56-V146 HydrophobicContact CG2-CG1 3.96Å; I56-V146 HydrophobicContact CG2-CG2 3.78Å; F57-V146 HydrophobicContact CD1-CG1 4.38Å; F57-V146 HydrophobicContact CD2-CB 4.19Å; F57-V146 HydrophobicContact CD2-CG1 3.69Å; F57-V146 HydrophobicContact CE1-CB 4.45Å; F57-V146 HydrophobicContact CE1-CG1 4.42Å; F57-V146 HydrophobicContact CE1-CG2 4.08Å; F57-V146 HydrophobicContact CE2-CB 3.67Å; F57-V146 HydrophobicContact CE2-CG1 3.71Å; F57-V146 HydrophobicContact CE2-CG2 4.14Å; F57-V146 HydrophobicContact CG-CG1 4Å; F57-V146 HydrophobicContact CZ-CB 3.81Å; F57-V146 HydrophobicContact CZ-CG1 4.09Å; F57-V146 HydrophobicContact CZ-CG2 3.74Å; Q144-V146 WeakPolarHBondContact CG-O 3.26Å; Q144-V146 PolarHBondContact NE2-O 3.14Å; V146-H148 HydrophobicContact CG1-CB 4.16Å; V146-H148 PolarHBondContact O-N 3.04Å; V146-H150 PolarHBondContact O-CE1 2.92Å; V146-H150 VanDerWaalsContact O-CE1 3.24Å
147	Y	97	Very high	97.4	Very high	31 Å²	31	33.6 Å²	33.6	12%	0.122	18%	0.181	C	C	.	.	S	Bend	trans	-83	57.1	177.3	-77.9	-97.7	0	0	0	112	A45 S46 Y49 P99	A45-Y147 HydrophobicContact CB-CD2 4.03Å; A45-Y147 HydrophobicContact CB-CE2 3.85Å; S46-Y147 WeakPolarHBondContact CA-OH 3.46Å; Y49-Y147 HydrophobicContact CD1-CD1 4.47Å; Y49-Y147 AromaticContact CD1-CE1 3.99Å; Y49-Y147 HydrophobicContact CD1-CE1 3.99Å; Y49-Y147 AromaticContact CD2-CD1 2.98Å; Y49-Y147 HydrophobicContact CD2-CD1 2.98Å; Y49-Y147 HydrophobicContact CD2-CD2 4.39Å; Y49-Y147 AromaticContact CD2-CE1 3.32Å; Y49-Y147 HydrophobicContact CD2-CE1 3.32Å; Y49-Y147 AromaticContact CD2-CG 3.57Å; Y49-Y147 HydrophobicContact CD2-CG 3.57Å; Y49-Y147 HydrophobicContact CE1-CE1 4.4Å; Y49-Y147 AromaticContact CE2-CD1 3.37Å; Y49-Y147 HydrophobicContact CE2-CD1 3.37Å; Y49-Y147 AromaticContact CE2-CE1 3.8Å; Y49-Y147 HydrophobicContact CE2-CE1 3.8Å; Y49-Y147 HydrophobicContact CE2-CG 4.25Å; Y49-Y147 AromaticContact CG-CD1 3.61Å; Y49-Y147 HydrophobicContact CG-CD1 3.61Å; Y49-Y147 AromaticContact CG-CE1 3.41Å; Y49-Y147 HydrophobicContact CG-CE1 3.41Å; Y49-Y147 VanDerWaalsContact CG-CE1 3.41Å; Y49-Y147 HydrophobicContact CG-CG 4.23Å; Y49-Y147 AromaticContact CG-CZ 3.95Å; P99-Y147 WeakPolarHBondContact CA-O 3.44Å; P99-Y147 CarbonylContact O-C 3.57Å; P99-Y147 WeakPolarHBondContact O-CA 3.48Å
148	H	97.6	Very high	97.4	Very high	1 Å²	1	40 Å²	40	1%	0.005	21%	0.21	C	C	.	.	S	Bend	trans	-144.8	124.5	166.7	-176.5	127	0	0	0	104.9	T55 F57 P94 I98 P99 V146 H150	T55-H148 HydrophobicContact CG2-CB 4.08Å; F57-H148 HydrophobicContact CB-CB 4.17Å; F57-H148 HydrophobicContact CD2-CB 3.78Å; F57-H148 HydrophobicContact CG-CB 4.43Å; P94-H148 PolarHBondContact O-NE2 3.01Å; I98-H148 CarbonylContact O-C 3.55Å; I98-H148 WeakPolarHBondContact O-CA 3.42Å; P99-H148 PolarHBondContact O-N 3.41Å; V146-H148 HydrophobicContact CG1-CB 4.16Å; V146-H148 PolarHBondContact O-N 3.04Å; H148-H150 PolarHBondContact O-N 3.29Å; H148-H150 PolarHBondContact O-ND1 3.44Å
149	L	98.4	Very high	97.4	Very high	3 Å²	3	38.7 Å²	38.7	2%	0.016	20%	0.203	C	C	.	.			trans	-52.4	128.2	-172	176.6	64.4	0	0	0	110.2	P94 I98 I101 L112 L115 I136	P94-L149 WeakPolarHBondContact CD-O 3.47Å; P94-L149 HydrophobicContact CG-CB 4.13Å; P94-L149 HydrophobicContact CG-CD2 4.35Å; I98-L149 HydrophobicContact CB-CB 4.12Å; I98-L149 HydrophobicContact CB-CD2 4.43Å; I98-L149 HydrophobicContact CD1-CD2 4.43Å; I98-L149 HydrophobicContact CG2-CB 4.26Å; I98-L149 HydrophobicContact CG2-CD2 4.29Å; I98-L149 WeakPolarHBondContact O-CB 3.46Å; I98-L149 PolarHBondContact O-N 3.02Å; I101-L149 HydrophobicContact CB-CD1 3.95Å; I101-L149 HydrophobicContact CD1-CD1 4.19Å; I101-L149 HydrophobicContact CD1-CD2 4.4Å; L112-L149 HydrophobicContact CD2-CD2 3.53Å; L115-L149 HydrophobicContact CD1-CD2 4.07Å; I136-L149 HydrophobicContact CG2-CD1 3.88Å
150	H	98.7	Very high	97.4	Very high	4 Å²	4	45 Å²	45	2%	0.019	23%	0.232	C	C	.	.			trans	-144.3	139.6	179.1	52.5	-77.7	0	0	0	109.9	F57 V92 I93 V146 H148 H152	F57-H150 HydrophobicContact CE2-CB 3.78Å; F57-H150 AromaticContact CE2-CG 3.69Å; F57-H150 AromaticContact CE2-ND1 3.58Å; V92-H150 WeakPolarHBondContact O-CA 3.3Å; I93-H150 HydrophobicContact CG2-CB 3.59Å; V146-H150 PolarHBondContact O-CE1 2.92Å; V146-H150 VanDerWaalsContact O-CE1 3.24Å; H148-H150 PolarHBondContact O-N 3.29Å; H148-H150 PolarHBondContact O-ND1 3.44Å; H150-H152 AromaticContact CD2-CD2 3.72Å; H150-H152 AromaticContact CD2-CE1 3.77Å; H150-H152 AromaticContact CD2-NE2 3.17Å; H150-H152 PolarHBondContact CD2-NE2 3.27Å; H150-H152 AromaticContact NE2-NE2 3.31Å; H150-H152 PolarHBondContact NE2-NE2 2.73Å
151	I	98.8	Very high	97.4	Very high	3 Å²	3	50.2 Å²	50.2	2%	0.015	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	114.1	175.4	-53.6	-169.3	0	0	0	107.1	L91 V92 L115 L116 V134 I136	L91-I151 CarbonylContact C-O 3.57Å; L91-I151 WeakPolarHBondContact CA-O 3.36Å; V92-I151 HydrophobicContact CB-CB 4.3Å; V92-I151 PolarHBondContact N-O 3.49Å; V92-I151 PolarHBondContact O-N 2.93Å; L115-I151 HydrophobicContact CB-CD1 3.52Å; L115-I151 HydrophobicContact CB-CG1 4.48Å; L115-I151 HydrophobicContact CD1-CD1 4.34Å; L116-I151 HydrophobicContact CD2-CD1 3.91Å; L116-I151 HydrophobicContact CG-CD1 4.26Å; V134-I151 HydrophobicContact CG1-CG2 3.31Å; I136-I151 HydrophobicContact CD1-CD1 4.12Å; I136-I151 HydrophobicContact CD1-CG1 3.99Å; I136-I151 HydrophobicContact CG1-CB 4.46Å; I136-I151 HydrophobicContact CG1-CG1 4.01Å; I136-I151 HydrophobicContact CG1-CG2 4.35Å
152	H	98.7	Very high	97.4	Very high	10 Å²	10	45.7 Å²	45.7	5%	0.046	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	137.2	169.5	-60	-98.8	0	0	0	109.7	H89 L91 V134 V135 H150 L154	H89-H152 AromaticContact CE1-ND1 3.46Å; H89-H152 PolarHBondContact CE1-ND1 2.9Å; H89-H152 AromaticContact NE2-CG 3.67Å; H89-H152 AromaticContact NE2-ND1 2.92Å; H89-H152 PolarHBondContact NE2-ND1 3.44Å; L91-H152 HydrophobicContact CD2-CB 4.25Å; L91-H152 WeakPolarHBondContact CD2-ND1 3.45Å; V134-H152 CarbonylContact C-O 3.55Å; V134-H152 VanDerWaalsContact CA-O 3.31Å; V134-H152 WeakPolarHBondContact CA-O 3.25Å; V135-H152 HydrophobicContact CB-CB 4.13Å; V135-H152 PolarHBondContact N-O 3.45Å; V135-H152 PolarHBondContact O-N 3.47Å; H150-H152 AromaticContact CD2-CD2 3.72Å; H150-H152 AromaticContact CD2-CE1 3.77Å; H150-H152 AromaticContact CD2-NE2 3.17Å; H150-H152 PolarHBondContact CD2-NE2 3.27Å; H150-H152 AromaticContact NE2-NE2 3.31Å; H150-H152 PolarHBondContact NE2-NE2 2.73Å; H152-L154 HydrophobicContact CB-CD1 3.73Å
153	V	98.8	Very high	97.2	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	116.6	168.4	-175.5	0	0	0	0	108.6	H89 F90 A119 A123 L128 Y132 R133	H89-V153 WeakPolarHBondContact CA-O 3.38Å; F90-V153 HydrophobicContact CD1-CB 4.03Å; F90-V153 HydrophobicContact CD1-CG1 4.36Å; F90-V153 HydrophobicContact CD2-CB 4.13Å; F90-V153 HydrophobicContact CD2-CG2 4.23Å; F90-V153 HydrophobicContact CE1-CB 3.57Å; F90-V153 HydrophobicContact CE1-CG1 3.52Å; F90-V153 HydrophobicContact CE1-CG2 4.3Å; F90-V153 HydrophobicContact CE2-CB 3.69Å; F90-V153 HydrophobicContact CE2-CG1 4.28Å; F90-V153 HydrophobicContact CE2-CG2 3.55Å; F90-V153 HydrophobicContact CG-CB 4.3Å; F90-V153 HydrophobicContact CZ-CB 3.38Å; F90-V153 HydrophobicContact CZ-CG1 3.48Å; F90-V153 VanDerWaalsContact CZ-CG1 3.48Å; F90-V153 HydrophobicContact CZ-CG2 3.6Å; F90-V153 PolarHBondContact N-O 3.43Å; F90-V153 PolarHBondContact O-N 2.91Å; A119-V153 HydrophobicContact CB-CG2 3.78Å; A123-V153 HydrophobicContact CB-CG1 4.17Å; L128-V153 HydrophobicContact CD1-CG1 4.27Å; Y132-V153 HydrophobicContact CD2-CG1 3.86Å; Y132-V153 HydrophobicContact CE2-CG1 4.47Å; Y132-V153 HydrophobicContact CG-CG1 4.31Å; R133-V153 WeakPolarHBondContact O-CA 3.2Å
154	L	98.6	Very high	96.5	Very high	18 Å²	18	50.4 Å²	50.4	9%	0.094	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	132.3	-175.6	-56.4	98.8	0	0	0	111	Q85 A86 I88 Y132 R133 V135 H152 M159	Q85-L154 HydrophobicContact CB-CD2 3.72Å; A86-L154 HydrophobicContact CB-CB 4.08Å; A86-L154 HydrophobicContact CB-CD2 4.38Å; I88-L154 CarbonylContact O-C 3.51Å; I88-L154 WeakPolarHBondContact O-CA 3.48Å; Y132-L154 CarbonylContact C-O 3.55Å; Y132-L154 VanDerWaalsContact CA-O 3.29Å; Y132-L154 WeakPolarHBondContact CA-O 3.21Å; Y132-L154 VanDerWaalsContact CB-O 3.29Å; Y132-L154 WeakPolarHBondContact CB-O 3.29Å; R133-L154 PolarHBondContact N-O 3.29Å; R133-L154 PolarHBondContact O-N 3.33Å; V135-L154 HydrophobicContact CG2-CD1 3.87Å; H152-L154 HydrophobicContact CB-CD1 3.73Å; L154-M159 HydrophobicContact CB-CE 4.4Å; L154-M159 HydrophobicContact CB-SD 4.06Å
155	G	98.4	Very high	96.4	Very high	1 Å²	1	52.9 Å²	52.9	1%	0.01	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.4	-170.9	177.3	0	0	0	0	0	113.8	A86 I88 R157	A86-G155 WeakPolarHBondContact CB-O 3.32Å; I88-G155 PolarHBondContact N-O 3.38Å; I88-G155 PolarHBondContact O-N 2.85Å; G155-R157 VanDerWaalsContact C-N 3.28Å
156	G	97.4	Very high	96.5	Very high	51 Å²	51	54.3 Å²	54.3	53%	0.526	30%	0.296	S	S	.	.	S	Bend	trans	80.9	8.1	-175.6	0	0	0	0	0	113.9
157	R	97.4	Very high	96.5	Very high	110 Å²	110	56.1 Å²	56.1	42%	0.415	31%	0.305	S	S	.	.	S	Bend	trans	-153.2	164.3	167.7	67.4	175.4	179.3	78.1	-5.4	109.1	Q85 A86 P87 G155 M159	Q85-R157 PolarHBondContact O-NE 3.05Å; Q85-R157 PolarHBondContact O-NH2 3.17Å; A86-R157 HydrophobicContact CB-CG 4.32Å; P87-R157 HydrophobicContact CG-CB 4.41Å; G155-R157 VanDerWaalsContact C-N 3.28Å; R157-M159 HydrophobicContact CG-CE 3.39Å; R157-M159 VanDerWaalsContact O-CE 3.3Å; R157-M159 WeakPolarHBondContact O-CE 3.34Å; R157-M159 PolarHBondContact O-N 3.02Å
158	Q	98.1	Very high	96.5	Very high	167 Å²	167	57.6 Å²	57.6	78%	0.78	32%	0.316	S	S	*	.	P	Polyproline II helix	trans	-61.5	131.8	170.4	-177.1	59.3	54.3	0	0	110.2
159	M	97.9	Very high	96.5	Very high	23 Å²	23	61.1 Å²	61.1	11%	0.113	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-90.3	135	172	-63.1	-66.1	117.1	0	0	109.7	A86 R133 L154 R157	A86-M159 HydrophobicContact CB-CE 4.01Å; R133-M159 HydrophobicContact CB-CG 3.92Å; R133-M159 HydrophobicContact CB-SD 4.33Å; L154-M159 HydrophobicContact CB-CE 4.4Å; L154-M159 HydrophobicContact CB-SD 4.06Å; R157-M159 HydrophobicContact CG-CE 3.39Å; R157-M159 VanDerWaalsContact O-CE 3.3Å; R157-M159 WeakPolarHBondContact O-CE 3.34Å; R157-M159 PolarHBondContact O-N 3.02Å
160	E	97.1	Very high	96.3	Very high	134 Å²	134	65 Å²	65	63%	0.626	36%	0.356	S	S	*	.	P	Polyproline II helix	trans	-86.1	167.1	-179.2	-65.3	177.7	173.8	0	0	112.3	R133	R133-E160 VanDerWaalsContact CZ-O 3.26Å; R133-E160 PolarHBondContact NH1-O 2.98Å; R133-E160 PolarHBondContact NH2-O 3.28Å
161	W	94.8	Very high	96.2	Very high	209 Å²	209	69.4 Å²	69.4	79%	0.792	38%	0.38	S	S	*	.	S	Bend	trans	-128	133.5	173.6	-168.5	-99.2	0	0	0	110	P163	W161-P163 HydrophobicContact CE3-CB 4.21Å; W161-P163 HydrophobicContact CE3-CG 4Å; W161-P163 HydrophobicContact CH2-CG 3.78Å; W161-P163 HydrophobicContact CZ3-CB 3.95Å; W161-P163 VanDerWaalsContact CZ3-CD 3.45Å; W161-P163 HydrophobicContact CZ3-CG 3.46Å; W161-P163 VanDerWaalsContact CZ3-CG 3.46Å
162	P	96.1	Very high	95.9	Very high	90 Å²	90	74.5 Å²	74.5	58%	0.584	41%	0.409	S	S	*	.	S	Bend	cis	-70	164.8	6.1	30.3	-36.7	0	0	0	114.6	G164	P162-G164 PolarHBondContact O-N 3.44Å
163	P	92.9	Very high	95.7	Very high	72 Å²	72	79.8 Å²	79.8	47%	0.468	44%	0.439	S	S	.	.			trans	-87.7	52.6	-176.4	38.9	-34.9	0	0	0	111.5	W161	W161-P163 HydrophobicContact CE3-CB 4.21Å; W161-P163 HydrophobicContact CE3-CG 4Å; W161-P163 HydrophobicContact CH2-CG 3.78Å; W161-P163 HydrophobicContact CZ3-CB 3.95Å; W161-P163 VanDerWaalsContact CZ3-CD 3.45Å; W161-P163 HydrophobicContact CZ3-CG 3.46Å; W161-P163 VanDerWaalsContact CZ3-CG 3.46Å
164	G	81.3	Confident	95.4	Very high	83 Å²	83	87.1 Å²	87.1	86%	0.856	48%	0.479	S	S	*	.			trans	-167.9	0	-179.6	0	0	0	0	0	108.8	K35 P162	K35-G164 WeakPolarHBondContact CD-OXT 3.24Å; K35-G164 VanDerWaalsContact CE-OXT 3.23Å; K35-G164 WeakPolarHBondContact CE-OXT 3.48Å; K35-G164 PolarHBondContact NZ-OXT 3.39Å; P162-G164 PolarHBondContact O-N 3.44Å

Retrieved 164 of 164 residues in 171.6 ms (Link to these results)

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