A0A087XBP7_POEFO Loading...

Glutaredoxin-2, mitochondrial

Glutathione-dependent oxidoreductase that facilitates the maintenance of mitochondrial redox homeostasis upon induction of apoptosis by oxidative stress. Involved in response to hydrogen peroxide and regulation of apoptosis caused by oxidative stress. Acts as a very efficient catalyst of monothiol reactions because of its high affinity for protein glutathione-mixed disulfides. Can receive electrons not only from glutathione (GSH), but also from thioredoxin reductase supporting both monothiol and dithiol reactions. Efficiently catalyzes both glutathionylation and deglutathionylation of mitochondrial complex I, which in turn regulates the superoxide production by the complex. Overexpression decreases the susceptibility to apoptosis and prevents loss of cardiolipin and cytochrome c release. Has a glutathione-disulfide oxidoreductase activity in the presence of NADPH and glutathione reductase. Reduces low molecular weight disulfides and proteins.

AlphaFold DB , UniProt , Accession A0A087XBP7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 169 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure 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	M	53.5	Low	40.5	Very low	246 Å²	246	158.4 Å²	158.4	100%	1.212	78%	0.78	S	S	*	*				0	120.7	0	-76.7	170	171.4	0	0	107.1
2	F	38	Very low	41.2	Very low	217 Å²	217	154.3 Å²	154.3	95%	0.952	77%	0.774	S	S	*	*			trans	-82	165.5	-161.2	-108.1	-101.5	0	0	0	114.4
3	Y	32.3	Very low	41.5	Very low	208 Å²	208	148.6 Å²	148.6	82%	0.816	77%	0.766	S	S	*	*			trans	-50.3	158.3	-176.4	-118.7	-118.2	0	0	0	120.8
4	S	40.7	Very low	41.6	Very low	89 Å²	89	147.4 Å²	147.4	62%	0.622	77%	0.768	S	S	*	*			trans	67	127.4	135.3	-94.2	0	0	0	0	125.6
5	S	45.9	Very low	41.2	Very low	100 Å²	100	146.1 Å²	146.1	70%	0.699	78%	0.775	S	S	*	*				18.1	133.5	123.6	-46.7	0	0	0	0	120.7
6	H	41.7	Very low	41.3	Very low	162 Å²	162	142.8 Å²	142.8	75%	0.75	77%	0.767	S	S	*	*				170	126.2	125.6	-103.7	-125.7	0	0	0	110.2
7	K	41.9	Very low	41.3	Very low	156 Å²	156	144.8 Å²	144.8	68%	0.678	77%	0.768	S	S	*	*				90.7	104.5	90.1	-163	159.3	-176.8	174.6	0	110.6
8	F	36	Very low	41.4	Very low	187 Å²	187	148.1 Å²	148.1	82%	0.82	78%	0.775	S	S	*	*				49	138.6	82.1	-147.4	-104.2	0	0	0	114.4
9	E	35.8	Very low	41.8	Very low	146 Å²	146	145 Å²	145	68%	0.682	76%	0.763	S	S	*	*			trans	90.9	134.7	172.2	-57.4	-151.5	86.6	0	0	116.6
10	S	39.5	Very low	42.1	Very low	81 Å²	81	146.1 Å²	146.1	57%	0.566	77%	0.766	S	S	*	*			cis	-178.2	144.5	-0.9	-173.4	0	0	0	0	111.5
11	L	40.2	Very low	42.3	Very low	150 Å²	150	148.6 Å²	148.6	79%	0.785	77%	0.771	S	S	*	*			trans	64.3	166.3	141.4	-77.2	169.6	0	0	0	122.4
12	P	48.8	Very low	41.9	Very low	109 Å²	109	143 Å²	143	71%	0.708	75%	0.75	S	S	*	*			cis	-134.9	162.9	-1.7	18.4	7.7	0	0	0	117.9
13	A	45.6	Very low	41.8	Very low	81 Å²	81	140.8 Å²	140.8	67%	0.669	74%	0.742	S	S	*	*				53.8	143.7	129.3	0	0	0	0	0	120.1
14	V	41.9	Very low	42.4	Very low	131 Å²	131	134.2 Å²	134.2	79%	0.794	73%	0.731	S	S	*	*			cis	-175.9	147.4	8.5	-100.1	0	0	0	0	106.2
15	C	36.2	Very low	42.4	Very low	128 Å²	128	136.5 Å²	136.5	87%	0.865	74%	0.737	S	S	*	*			trans	168.3	78	142.1	-103.1	0	0	0	0	106
16	S	42.9	Very low	42.4	Very low	94 Å²	94	136.7 Å²	136.7	66%	0.657	74%	0.737	S	S	*	*				70.7	105.5	78.2	-155.1	0	0	0	0	112.6
17	F	41.4	Very low	42.7	Very low	177 Å²	177	136.2 Å²	136.2	78%	0.776	74%	0.739	S	S	*	*			trans	59.5	108.7	140.4	-76.5	-107.3	0	0	0	118.5
18	F	42.6	Very low	42.5	Very low	204 Å²	204	137.5 Å²	137.5	90%	0.895	75%	0.747	S	S	*	*				-147.6	116.9	114	-131.3	-101.8	0	0	0	111.5
19	T	48.7	Very low	42.9	Very low	89 Å²	89	137.9 Å²	137.9	55%	0.546	74%	0.743	S	S	.	*			trans	-23.4	136.1	161.2	31.8	0	0	0	0	117.8
20	M	48.3	Very low	43.3	Very low	166 Å²	166	137.8 Å²	137.8	82%	0.818	75%	0.752	S	S	*	*				30.6	122.8	123.7	-63.5	-93	152.9	0	0	116.1
21	F	45.5	Very low	43.7	Very low	199 Å²	199	139.9 Å²	139.9	87%	0.873	76%	0.756	S	S	*	*				-172.3	131.7	112.6	-119	-104.9	0	0	0	111.9
22	V	46.1	Very low	43.3	Very low	130 Å²	130	143.4 Å²	143.4	79%	0.788	76%	0.759	S	S	*	*			trans	-62.1	128.1	160.5	-177.4	0	0	0	0	108.6
23	H	35.8	Very low	43.2	Very low	169 Å²	169	143.2 Å²	143.2	78%	0.782	76%	0.755	S	S	*	*			trans	-166.7	138.7	141.3	-131.3	112.8	0	0	0	113.1
24	A	44.6	Very low	43.4	Very low	70 Å²	70	148 Å²	148	58%	0.579	76%	0.764	S	S	*	*			trans	-60.6	176.4	160.6	0	0	0	0	0	113.5
25	D	41.5	Very low	43.5	Very low	138 Å²	138	146.8 Å²	146.8	74%	0.738	76%	0.76	S	S	*	*			trans	89.1	109.4	157.4	-66.3	-67.2	0	0	0	119.9
26	C	44.6	Very low	44	Very low	104 Å²	104	150 Å²	150	70%	0.703	75%	0.754	S	S	*	*				46	106.5	107.5	-149.7	0	0	0	0	116.8
27	L	48.2	Very low	44.7	Very low	152 Å²	152	156.9 Å²	156.9	80%	0.796	77%	0.765	S	S	*	*			trans	143	110.7	134.6	-78.6	157.6	0	0	0	110.1
28	H	37.3	Very low	44.6	Very low	182 Å²	182	155.9 Å²	155.9	84%	0.843	77%	0.765	S	S	*	*				-153.9	119.9	123	-136.3	98	0	0	0	112.7
29	R	45.8	Very low	44.6	Very low	196 Å²	196	149.2 Å²	149.2	74%	0.74	75%	0.753	S	S	*	*			trans	-39.9	130.4	163	-69.5	159.3	108.1	-134.4	6.7	111.7
30	V	43.8	Very low	45	Very low	143 Å²	143	151.3 Å²	151.3	87%	0.867	76%	0.762	S	S	*	*			trans	-115.1	123.5	141.2	178.8	0	0	0	0	107.9
31	I	49	Very low	44.9	Very low	126 Å²	126	151.2 Å²	151.2	65%	0.646	76%	0.763	S	S	*	*			trans	-58.3	126.7	177.9	-64.2	152.7	0	0	0	108.7
32	W	31	Very low	45.2	Very low	224 Å²	224	146.5 Å²	146.5	85%	0.848	75%	0.751	S	S	*	*			trans	-137.6	107	143.1	-150	37.7	0	0	0	111.3
33	T	46.9	Very low	44.9	Very low	104 Å²	104	145.2 Å²	145.2	64%	0.638	75%	0.748	S	S	*	*			trans	-46.1	128.6	161	19.7	0	0	0	0	111.6
34	H	49.7	Very low	45.2	Very low	183 Å²	183	143.4 Å²	143.4	85%	0.847	75%	0.754	S	S	*	*			trans	48.4	98	152.9	-106.6	-100.8	0	0	0	118
35	C	43.9	Very low	45.4	Very low	105 Å²	105	144.3 Å²	144.3	71%	0.709	76%	0.756	S	S	*	*			trans	-141.7	97.8	143	-123.2	0	0	0	0	111.6
36	R	46.8	Very low	45.9	Very low	196 Å²	196	145.5 Å²	145.5	74%	0.74	77%	0.769	S	S	*	*			trans	47.2	109.8	151.4	-58.5	-169.4	-168.9	-145.8	2.5	119.7	M38	R36-M38 PolarHBondContact O-N 3.24Å
37	R	56.8	Low	46.9	Very low	238 Å²	238	143.1 Å²	143.1	90%	0.898	76%	0.761	S	S	*	*			trans	-43.8	109.5	133.4	-178.3	94.9	171.9	-179.1	-0.2	111
38	M	40.2	Very low	48	Very low	155 Å²	155	138 Å²	138	76%	0.764	75%	0.746	S	S	*	*			trans	-159.2	126.4	152.9	-72.9	-156.8	-86.7	0	0	106.3	R36	R36-M38 PolarHBondContact O-N 3.24Å
39	G	42.9	Very low	50.1	Low	64 Å²	64	132.2 Å²	132.2	66%	0.66	72%	0.721	S	S	*	*			cis	-159.2	146	-3.7	0	0	0	0	0	107.7	L41	G39-L41 PolarHBondContact O-N 3.23Å
40	N	55.8	Low	52.3	Low	134 Å²	134	126.4 Å²	126.4	72%	0.717	71%	0.71	S	S	*	*			trans	-69.8	114.3	159.2	177.7	33.2	0	0	0	106.7
41	L	46.3	Very low	54.5	Low	163 Å²	163	122.8 Å²	122.8	85%	0.853	69%	0.691	S	S	*	*			trans	-109.2	91.8	167.5	-79.6	167.4	0	0	0	108.7	G39	G39-L41 PolarHBondContact O-N 3.23Å
42	T	52.2	Low	56.6	Low	101 Å²	101	120.8 Å²	120.8	62%	0.62	69%	0.685	S	S	*	*			trans	-44.2	138.1	151.6	53.1	0	0	0	0	111
43	S	40	Very low	59.7	Low	102 Å²	102	111.7 Å²	111.7	71%	0.713	66%	0.658	S	S	*	*			trans	176	87.7	132.1	28.4	0	0	0	0	111.5	S45	S43-S45 PolarHBondContact O-N 3.45Å
44	S	41.6	Very low	62	Low	132 Å²	132	106.8 Å²	106.8	92%	0.923	63%	0.627	S	S	*	*			trans	-74.6	75.6	153.3	51.9	0	0	0	0	108
45	S	48.7	Very low	64.2	Low	89 Å²	89	99.1 Å²	99.1	62%	0.622	59%	0.594	S	S	*	*			trans	-87.1	131.1	161.6	48	0	0	0	0	107.9	S43 G47	S43-S45 PolarHBondContact O-N 3.45Å; S45-G47 PolarHBondContact O-N 2.98Å
46	T	53.6	Low	66.7	Low	163 Å²	163	99.7 Å²	99.7	100%	1	59%	0.586	S	S	*	*	S	Bend	trans	-71.6	57.2	176.7	34.4	0	0	0	0	111.6
47	G	63.9	Low	69.1	Low	53 Å²	53	92.5 Å²	92.5	55%	0.546	56%	0.562	S	S	.	*	S	Bend	trans	-142.6	131.6	173.7	0	0	0	0	0	110	S45	S45-G47 PolarHBondContact O-N 2.98Å
48	G	72.4	Confident	71	Confident	46 Å²	46	81.2 Å²	81.2	47%	0.474	52%	0.519	S	S	.	.	P	Polyproline II helix	trans	-57.6	158.3	-175.6	0	0	0	0	0	113.8	D102 R105	G48-D102 WeakPolarHBondContact CA-OD1 3.27Å; G48-R105 PolarHBondContact O-NH1 2.98Å
49	L	81.7	Confident	73.7	Confident	60 Å²	60	78.8 Å²	78.8	31%	0.314	51%	0.506	S	S	.	.	P	Polyproline II helix	trans	-62.1	137.8	-174.2	-90.1	71.4	0	0	0	113.1	A53 L57 D102 R105	L49-A53 HydrophobicContact CB-CB 4.34Å; L49-A53 HydrophobicContact CD2-CB 4.26Å; L49-A53 HydrophobicContact CG-CB 4.33Å; L49-L57 HydrophobicContact CD2-CD2 3.86Å; L49-D102 HydrophobicContact CB-CB 4.49Å; L49-D102 WeakPolarHBondContact CD1-OD2 3.47Å; L49-D102 PolarHBondContact N-OD1 3.49Å; L49-R105 WeakPolarHBondContact O-CD 3.46Å; L49-R105 PolarHBondContact O-NH1 2.91Å
50	S	91.8	Very high	76.2	Confident	74 Å²	74	80.3 Å²	80.3	52%	0.517	50%	0.496	S	S	.	.	P	Polyproline II helix	trans	-60.9	155.9	170.1	-177	0	0	0	0	111.8	T52 A53 C54	S50-T52 VanDerWaalsContact C-N 3.32Å; S50-T52 PolarHBondContact O-N 3.38Å; S50-A53 WeakPolarHBondContact O-CB 3.32Å; S50-A53 PolarHBondContact O-N 3.5Å; S50-C54 PolarHBondContact O-N 2.94Å
51	S	88.9	Confident	78	Confident	66 Å²	66	75 Å²	75	46%	0.462	47%	0.467	S	S	.	.	H	α-helix	trans	-54.7	-44.9	179.2	53.3	0	0	0	0	112.6	A53 C54 V55	S51-A53 VanDerWaalsContact C-N 3.33Å; S51-A53 PolarHBondContact O-N 3.37Å; S51-C54 WeakPolarHBondContact O-CB 3.34Å; S51-C54 PolarHBondContact O-N 3.14Å; S51-V55 PolarHBondContact O-N 3.13Å; S51-V55 VanDerWaalsContact O-N 3.12Å
52	T	94.5	Very high	80.4	Confident	85 Å²	85	67.8 Å²	67.8	52%	0.521	43%	0.43	S	S	.	.	H	α-helix	trans	-61.6	-40.4	176.4	-52	0	0	0	0	111.9	S50 C54 V55 Q56	S50-T52 VanDerWaalsContact C-N 3.32Å; S50-T52 PolarHBondContact O-N 3.38Å; T52-C54 VanDerWaalsContact C-N 3.34Å; T52-C54 PolarHBondContact O-N 3.19Å; T52-V55 PolarHBondContact O-N 2.89Å; T52-Q56 WeakPolarHBondContact O-CG 3.48Å; T52-Q56 PolarHBondContact O-N 3.33Å
53	A	95.2	Very high	82.4	Confident	33 Å²	33	66.3 Å²	66.3	27%	0.273	42%	0.424	S	S	.	.	H	α-helix	trans	-66.5	-36.8	178.2	0	0	0	0	0	111.5	L49 S50 S51 Q56 L57	L49-A53 HydrophobicContact CB-CB 4.34Å; L49-A53 HydrophobicContact CD2-CB 4.26Å; L49-A53 HydrophobicContact CG-CB 4.33Å; S50-A53 WeakPolarHBondContact O-CB 3.32Å; S50-A53 PolarHBondContact O-N 3.5Å; S51-A53 VanDerWaalsContact C-N 3.33Å; S51-A53 PolarHBondContact O-N 3.37Å; A53-Q56 PolarHBondContact O-N 3.31Å; A53-L57 VanDerWaalsContact O-CB 3.31Å; A53-L57 WeakPolarHBondContact O-CB 3.41Å; A53-L57 PolarHBondContact O-N 2.97Å
54	C	95.6	Very high	84.9	Confident	0 Å²	0	67.1 Å²	67.1	0%	0	42%	0.416	C	S	.	.	H	α-helix	trans	-64.1	-40	173.5	-67.9	0	0	0	0	112.5	S50 S51 T52 L57 V58 R105 L106 A109	S50-C54 PolarHBondContact O-N 2.94Å; S51-C54 WeakPolarHBondContact O-CB 3.34Å; S51-C54 PolarHBondContact O-N 3.14Å; T52-C54 VanDerWaalsContact C-N 3.34Å; T52-C54 PolarHBondContact O-N 3.19Å; C54-L57 PolarHBondContact O-N 3.41Å; C54-V58 WeakPolarHBondContact O-CG2 3.32Å; C54-V58 PolarHBondContact O-N 3.03Å; C54-R105 HydrophobicContact CB-CB 4.49Å; C54-R105 VanDerWaalsContact SG-CB 3.51Å; C54-L106 HydrophobicContact CB-CD2 4.06Å; C54-A109 HydrophobicContact CB-CB 3.98Å
55	V	96.5	Very high	87.5	Confident	23 Å²	23	63.4 Å²	63.4	14%	0.139	39%	0.386	C	S	.	.	H	α-helix	trans	-62.8	-46.9	175.4	173.4	0	0	0	0	110.8	S51 T52 L57 V58 Q59 A109 L113	S51-V55 PolarHBondContact O-N 3.13Å; S51-V55 VanDerWaalsContact O-N 3.12Å; T52-V55 PolarHBondContact O-N 2.89Å; V55-L57 VanDerWaalsContact C-N 3.34Å; V55-L57 PolarHBondContact O-N 3.45Å; V55-V58 PolarHBondContact O-N 3.2Å; V55-Q59 WeakPolarHBondContact O-CG 3.5Å; V55-Q59 PolarHBondContact O-N 2.75Å; V55-A109 HydrophobicContact CB-CB 4.45Å; V55-A109 HydrophobicContact CG2-CB 3.69Å; V55-L113 HydrophobicContact CG1-CD1 4.3Å; V55-L113 HydrophobicContact CG1-CD2 3.98Å; V55-L113 HydrophobicContact CG1-CG 4.26Å
56	Q	96.3	Very high	89.7	Confident	117 Å²	117	61.3 Å²	61.3	55%	0.547	37%	0.371	S	S	.	.	H	α-helix	trans	-60.2	-43.9	176.4	-72.3	173.1	-18.6	0	0	111.8	T52 A53 V58 Q59 E60	T52-Q56 WeakPolarHBondContact O-CG 3.48Å; T52-Q56 PolarHBondContact O-N 3.33Å; A53-Q56 PolarHBondContact O-N 3.31Å; Q56-V58 PolarHBondContact O-N 3.35Å; Q56-Q59 PolarHBondContact O-N 2.92Å; Q56-E60 WeakPolarHBondContact O-CB 3.33Å; Q56-E60 PolarHBondContact O-N 2.99Å
57	L	96	Very high	91.8	Very high	45 Å²	45	53.6 Å²	53.6	24%	0.236	32%	0.324	C	S	.	.	H	α-helix	trans	-62	-42.3	178.5	-177.2	57.3	0	0	0	111.8	L49 A53 C54 V55 E60 M61 L106	L49-L57 HydrophobicContact CD2-CD2 3.86Å; A53-L57 VanDerWaalsContact O-CB 3.31Å; A53-L57 WeakPolarHBondContact O-CB 3.41Å; A53-L57 PolarHBondContact O-N 2.97Å; C54-L57 PolarHBondContact O-N 3.41Å; V55-L57 VanDerWaalsContact C-N 3.34Å; V55-L57 PolarHBondContact O-N 3.45Å; L57-E60 PolarHBondContact O-N 3.3Å; L57-M61 HydrophobicContact CD1-CE 4.48Å; L57-M61 HydrophobicContact CG-CE 3.93Å; L57-M61 WeakPolarHBondContact O-CE 3.46Å; L57-M61 WeakPolarHBondContact O-CG 3.36Å; L57-M61 PolarHBondContact O-N 3.32Å; L57-L106 HydrophobicContact CD2-CD2 4.2Å
58	V	96.7	Very high	93.5	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.006	30%	0.298	C	S	.	.	H	α-helix	trans	-61	-47.7	173.9	170.1	0	0	0	0	110.9	C54 V55 Q56 E60 M61 V62 F70 L106 A109 L110 L113	C54-V58 WeakPolarHBondContact O-CG2 3.32Å; C54-V58 PolarHBondContact O-N 3.03Å; V55-V58 PolarHBondContact O-N 3.2Å; Q56-V58 PolarHBondContact O-N 3.35Å; V58-E60 VanDerWaalsContact C-N 3.34Å; V58-E60 PolarHBondContact O-N 2.87Å; V58-M61 HydrophobicContact CG2-CE 4.5Å; V58-M61 PolarHBondContact O-N 2.94Å; V58-V62 HydrophobicContact CG1-CG2 4.29Å; V58-V62 WeakPolarHBondContact O-CB 2.94Å; V58-V62 WeakPolarHBondContact O-CG2 3.36Å; V58-V62 PolarHBondContact O-N 3.19Å; V58-F70 HydrophobicContact CB-CZ 4.2Å; V58-F70 HydrophobicContact CG1-CE2 4.02Å; V58-F70 HydrophobicContact CG1-CZ 3.73Å; V58-F70 HydrophobicContact CG2-CE1 4.04Å; V58-F70 HydrophobicContact CG2-CZ 3.94Å; V58-L106 HydrophobicContact CG2-CD2 3.8Å; V58-A109 HydrophobicContact CG2-CB 4.38Å; V58-L110 HydrophobicContact CG1-CD2 3.88Å; V58-L110 HydrophobicContact CG2-CD2 4.36Å; V58-L110 HydrophobicContact CG2-CG 4.47Å; V58-L113 HydrophobicContact CB-CD1 3.94Å; V58-L113 HydrophobicContact CG1-CD1 3.5Å; V58-L113 VanDerWaalsContact CG1-CD1 3.5Å
59	Q	96.3	Very high	94.7	Very high	103 Å²	103	49 Å²	49	48%	0.481	28%	0.275	S	S	.	.	H	α-helix	trans	-61.6	-41.9	179.2	-72.3	176.5	-33.2	0	0	111.9	V55 Q56 V62 S63 L113	V55-Q59 WeakPolarHBondContact O-CG 3.5Å; V55-Q59 PolarHBondContact O-N 2.75Å; Q56-Q59 PolarHBondContact O-N 2.92Å; Q59-V62 PolarHBondContact O-N 2.02Å; Q59-S63 WeakPolarHBondContact O-CB 3.47Å; Q59-S63 PolarHBondContact O-N 2.99Å; Q59-S63 PolarHBondContact O-OG 3.43Å; Q59-L113 HydrophobicContact CG-CD1 4.33Å; Q59-L113 HydrophobicContact CG-CD2 4.41Å
60	E	95.4	Very high	95.5	Very high	96 Å²	96	46.1 Å²	46.1	45%	0.449	26%	0.26	S	S	.	.	H	α-helix	trans	-60.3	-52.1	176.6	-178	175.6	-172	0	0	110.8	Q56 L57 V58 V62 S63 Q64	Q56-E60 WeakPolarHBondContact O-CB 3.33Å; Q56-E60 PolarHBondContact O-N 2.99Å; L57-E60 PolarHBondContact O-N 3.3Å; V58-E60 VanDerWaalsContact C-N 3.34Å; V58-E60 PolarHBondContact O-N 2.87Å; E60-V62 VanDerWaalsContact C-N 3.28Å; E60-V62 PolarHBondContact O-N 3Å; E60-S63 PolarHBondContact O-N 3.45Å; E60-S63 PolarHBondContact O-OG 2.73Å; E60-Q64 HydrophobicContact CG-CG 4.34Å; E60-Q64 VanDerWaalsContact CG-NE2 3.28Å; E60-Q64 WeakPolarHBondContact O-CB 3.48Å; E60-Q64 WeakPolarHBondContact O-CG 3.04Å; E60-Q64 PolarHBondContact O-N 2.98Å; E60-Q64 PolarHBondContact OE1-NE2 3.43Å
61	M	95	Very high	95.8	Very high	22 Å²	22	42.6 Å²	42.6	11%	0.108	24%	0.236	C	C	.	.	H	α-helix	trans	-58.1	-42.3	178.1	-71.6	-174.5	-69.7	0	0	112	L57 V58 S63 Q64 N65 V68 F70 I95	L57-M61 HydrophobicContact CD1-CE 4.48Å; L57-M61 HydrophobicContact CG-CE 3.93Å; L57-M61 WeakPolarHBondContact O-CE 3.46Å; L57-M61 WeakPolarHBondContact O-CG 3.36Å; L57-M61 PolarHBondContact O-N 3.32Å; V58-M61 HydrophobicContact CG2-CE 4.5Å; V58-M61 PolarHBondContact O-N 2.94Å; M61-S63 VanDerWaalsContact C-N 3.32Å; M61-Q64 PolarHBondContact O-N 3.32Å; M61-N65 PolarHBondContact O-N 3.43Å; M61-N65 PolarHBondContact O-ND2 3.17Å; M61-V68 WeakPolarHBondContact O-CG2 3.45Å; M61-F70 HydrophobicContact CE-CE1 3.61Å; M61-F70 HydrophobicContact CE-CZ 3.83Å; M61-I95 HydrophobicContact CE-CG1 4.27Å; M61-I95 HydrophobicContact SD-CD1 3.42Å; M61-I95 WeakPolarHBondContact SD-CD1 3.19Å; M61-I95 HydrophobicContact SD-CG1 3.67Å
62	V	96	Very high	96.3	Very high	12 Å²	12	42.3 Å²	42.3	7%	0.073	23%	0.226	C	C	.	.	H	α-helix	trans	-68	-30.1	178.5	166.5	0	0	0	0	112.4	V58 Q59 E60 V68 F70 F123 G126	V58-V62 HydrophobicContact CG1-CG2 4.29Å; V58-V62 WeakPolarHBondContact O-CB 2.94Å; V58-V62 WeakPolarHBondContact O-CG2 3.36Å; V58-V62 PolarHBondContact O-N 3.19Å; Q59-V62 PolarHBondContact O-N 2.02Å; E60-V62 VanDerWaalsContact C-N 3.28Å; E60-V62 PolarHBondContact O-N 3Å; V62-V68 HydrophobicContact CG2-CB 4.46Å; V62-V68 HydrophobicContact CG2-CG2 4.47Å; V62-F70 HydrophobicContact CG2-CE2 4.09Å; V62-F123 HydrophobicContact CB-CD1 4.44Å; V62-F123 HydrophobicContact CG1-CB 4.08Å; V62-F123 HydrophobicContact CG1-CD1 3.74Å; V62-F123 HydrophobicContact CG1-CE1 4.47Å; V62-F123 HydrophobicContact CG1-CG 4.11Å; V62-F123 HydrophobicContact CG2-CB 3.9Å; V62-F123 HydrophobicContact CG2-CD1 3.75Å; V62-F123 HydrophobicContact CG2-CD2 3.87Å; V62-F123 HydrophobicContact CG2-CE1 4.19Å; V62-F123 HydrophobicContact CG2-CE2 4.32Å; V62-F123 HydrophobicContact CG2-CG 3.57Å; V62-F123 HydrophobicContact CG2-CZ 4.46Å; V62-G126 VanDerWaalsContact CG1-CA 3.5Å; V62-G126 WeakPolarHBondContact CG1-O 3.43Å
63	S	94.1	Very high	96.4	Very high	70 Å²	70	40.6 Å²	40.6	49%	0.49	22%	0.216	S	C	.	.	H	α-helix	trans	-80.7	-33.1	176.3	71.3	0	0	0	0	113.5	Q59 E60 M61	Q59-S63 WeakPolarHBondContact O-CB 3.47Å; Q59-S63 PolarHBondContact O-N 2.99Å; Q59-S63 PolarHBondContact O-OG 3.43Å; E60-S63 PolarHBondContact O-N 3.45Å; E60-S63 PolarHBondContact O-OG 2.73Å; M61-S63 VanDerWaalsContact C-N 3.32Å
64	Q	93.4	Very high	96.4	Very high	120 Å²	120	44.9 Å²	44.9	56%	0.561	24%	0.239	S	C	*	.	H	α-helix	trans	-82.4	-18.6	-177	-73	174.5	-5.5	0	0	113.4	E60 M61	E60-Q64 HydrophobicContact CG-CG 4.34Å; E60-Q64 VanDerWaalsContact CG-NE2 3.28Å; E60-Q64 WeakPolarHBondContact O-CB 3.48Å; E60-Q64 WeakPolarHBondContact O-CG 3.04Å; E60-Q64 PolarHBondContact O-N 2.98Å; E60-Q64 PolarHBondContact OE1-NE2 3.43Å; M61-Q64 PolarHBondContact O-N 3.32Å
65	N	94.9	Very high	96.4	Very high	53 Å²	53	45.7 Å²	45.7	28%	0.283	24%	0.244	S	C	.	.			trans	-126.3	133.7	-174.2	-60.9	-92.7	0	0	0	109.9	M61 V67 V68 K93	M61-N65 PolarHBondContact O-N 3.43Å; M61-N65 PolarHBondContact O-ND2 3.17Å; N65-V67 VanDerWaalsContact C-N 3.32Å; N65-V67 PolarHBondContact O-N 2.94Å; N65-V68 HydrophobicContact CB-CG2 3.58Å; N65-K93 HydrophobicContact CB-CB 4.21Å
66	C	95.8	Very high	96.5	Very high	45 Å²	45	49 Å²	49	30%	0.304	27%	0.266	S	S	.	.	S	Bend	trans	-58	-44.6	175.4	170.2	0	0	0	0	112	V124 N125 C151	C66-V124 CarbonylContact O-C 3.52Å; C66-V124 VanDerWaalsContact O-CA 3.26Å; C66-V124 WeakPolarHBondContact O-CA 3.37Å; C66-N125 PolarHBondContact O-N 3.46Å; C66-C151 VanDerWaalsContact CA-SG 3.52Å; C66-C151 HydrophobicContact CB-CB 3.53Å; C66-C151 WeakPolarHBondContact CB-SG 3.32Å; C66-C151 WeakPolarHBondContact SG-CB 3.08Å; C66-C151 CovalentContact SG-SG 2.02Å; C66-C151 PolarHBondContact SG-SG 3.33Å
67	V	97.9	Very high	96.6	Very high	2 Å²	2	49.5 Å²	49.5	1%	0.012	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	127.5	177.9	-176.5	0	0	0	0	109.7	N65 I69 F85 Y92 K93 F123 V124 I148	N65-V67 VanDerWaalsContact C-N 3.32Å; N65-V67 PolarHBondContact O-N 2.94Å; V67-I69 HydrophobicContact CG1-CG1 4.34Å; V67-F85 HydrophobicContact CB-CE1 4.46Å; V67-F85 HydrophobicContact CG1-CD1 3.98Å; V67-F85 HydrophobicContact CG1-CD2 4.26Å; V67-F85 HydrophobicContact CG1-CE1 3.62Å; V67-F85 HydrophobicContact CG1-CE2 3.93Å; V67-F85 HydrophobicContact CG1-CG 4.29Å; V67-F85 HydrophobicContact CG1-CZ 3.6Å; V67-F85 HydrophobicContact CG2-CD1 4.31Å; V67-F85 HydrophobicContact CG2-CE1 3.97Å; V67-Y92 WeakPolarHBondContact O-CA 3.48Å; V67-K93 PolarHBondContact O-N 2.94Å; V67-F123 WeakPolarHBondContact CA-O 3.4Å; V67-V124 HydrophobicContact CG1-CG2 4.47Å; V67-V124 HydrophobicContact CG2-CG1 4.44Å; V67-V124 HydrophobicContact CG2-CG2 4.3Å; V67-I148 HydrophobicContact CG2-CG1 4.33Å
68	V	98.4	Very high	96.7	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.006	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	131.2	173.4	-172.3	0	0	0	0	110.1	M61 V62 N65 F70 K93 I95 V122 F123	M61-V68 WeakPolarHBondContact O-CG2 3.45Å; V62-V68 HydrophobicContact CG2-CB 4.46Å; V62-V68 HydrophobicContact CG2-CG2 4.47Å; N65-V68 HydrophobicContact CB-CG2 3.58Å; V68-F70 HydrophobicContact CB-CE2 4.48Å; V68-F70 HydrophobicContact CG1-CD2 4.15Å; V68-F70 HydrophobicContact CG1-CE2 3.68Å; V68-F70 HydrophobicContact CG1-CZ 3.98Å; V68-K93 CarbonylContact C-O 3.5Å; V68-K93 WeakPolarHBondContact CA-O 3.33Å; V68-K93 HydrophobicContact CG2-CB 4.37Å; V68-I95 HydrophobicContact CG1-CG1 4.35Å; V68-V122 WeakPolarHBondContact O-CA 3.49Å; V68-F123 HydrophobicContact CB-CB 4.46Å; V68-F123 PolarHBondContact N-O 2.98Å; V68-F123 PolarHBondContact O-N 3.38Å
69	I	98.6	Very high	96.8	Very high	0 Å²	0	53 Å²	53	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	106.9	177.8	-51.4	179.3	0	0	0	108.6	V67 S71 K82 F85 Y92 K93 V94 I95 P120 V122	V67-I69 HydrophobicContact CG1-CG1 4.34Å; I69-S71 PolarHBondContact O-N 3.27Å; I69-K82 HydrophobicContact CD1-CG 4.06Å; I69-F85 HydrophobicContact CD1-CD2 3.63Å; I69-F85 HydrophobicContact CD1-CE2 3.94Å; I69-F85 HydrophobicContact CG1-CD2 4.47Å; I69-F85 HydrophobicContact CG1-CE2 4.35Å; I69-Y92 HydrophobicContact CD1-CD2 3.53Å; I69-Y92 HydrophobicContact CD1-CE2 3.93Å; I69-Y92 HydrophobicContact CD1-CG 3.94Å; I69-Y92 HydrophobicContact CG1-CD2 4.17Å; I69-K93 PolarHBondContact N-O 3.41Å; I69-V94 WeakPolarHBondContact O-CA 3.48Å; I69-I95 PolarHBondContact O-N 3.43Å; I69-P120 HydrophobicContact CG2-CB 4.23Å; I69-V122 HydrophobicContact CG1-CG1 4.44Å; I69-V122 HydrophobicContact CG2-CG2 4.34Å
70	F	98.6	Very high	96.9	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	118.3	166.8	-65.3	-85.7	0	0	0	108.8	V58 M61 V62 V68 I95 L97 L110 P120 R121 F123	V58-F70 HydrophobicContact CB-CZ 4.2Å; V58-F70 HydrophobicContact CG1-CE2 4.02Å; V58-F70 HydrophobicContact CG1-CZ 3.73Å; V58-F70 HydrophobicContact CG2-CE1 4.04Å; V58-F70 HydrophobicContact CG2-CZ 3.94Å; M61-F70 HydrophobicContact CE-CE1 3.61Å; M61-F70 HydrophobicContact CE-CZ 3.83Å; V62-F70 HydrophobicContact CG2-CE2 4.09Å; V68-F70 HydrophobicContact CB-CE2 4.48Å; V68-F70 HydrophobicContact CG1-CD2 4.15Å; V68-F70 HydrophobicContact CG1-CE2 3.68Å; V68-F70 HydrophobicContact CG1-CZ 3.98Å; F70-I95 HydrophobicContact CD1-CB 3.81Å; F70-I95 HydrophobicContact CD1-CG1 4.21Å; F70-I95 HydrophobicContact CD1-CG2 4.13Å; F70-I95 HydrophobicContact CE1-CB 4.04Å; F70-I95 HydrophobicContact CE1-CG1 4Å; F70-I95 HydrophobicContact CE1-CG2 4.24Å; F70-L97 HydrophobicContact CB-CD1 4.46Å; F70-L97 HydrophobicContact CD1-CD2 4.1Å; F70-L110 HydrophobicContact CB-CD1 3.6Å; F70-L110 HydrophobicContact CB-CD2 4.48Å; F70-L110 HydrophobicContact CD1-CD1 3.86Å; F70-L110 HydrophobicContact CD1-CD2 4.31Å; F70-L110 HydrophobicContact CD2-CD1 4.2Å; F70-L110 HydrophobicContact CD2-CD2 3.58Å; F70-L110 HydrophobicContact CE1-CD2 4.46Å; F70-L110 HydrophobicContact CE2-CD2 3.77Å; F70-L110 HydrophobicContact CG-CD1 3.62Å; F70-L110 HydrophobicContact CG-CD2 3.86Å; F70-L110 HydrophobicContact CG-CG 4.33Å; F70-L110 HydrophobicContact CZ-CD2 4.22Å; F70-P120 WeakPolarHBondContact O-CA 3.41Å; F70-R121 HydrophobicContact CB-CB 4.29Å; F70-R121 PolarHBondContact N-O 3.02Å; F70-R121 PolarHBondContact O-N 2.91Å; F70-R121 VanDerWaalsContact O-N 3.1Å; F70-F123 AromaticContact CD2-CD2 3.9Å; F70-F123 HydrophobicContact CD2-CD2 3.9Å; F70-F123 AromaticContact CD2-CE2 3.77Å; F70-F123 HydrophobicContact CD2-CE2 3.77Å; F70-F123 AromaticContact CE2-CD2 3.81Å; F70-F123 HydrophobicContact CE2-CD2 3.81Å; F70-F123 AromaticContact CE2-CE2 3.73Å; F70-F123 HydrophobicContact CE2-CE2 3.73Å
71	S	98.5	Very high	97	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	168.9	-163.1	171.5	0	0	0	0	111.4	I69 C78 K82 I95 E96 L97	I69-S71 PolarHBondContact O-N 3.27Å; S71-C78 WeakPolarHBondContact OG-CB 3.48Å; S71-K82 WeakPolarHBondContact OG-CE 3.21Å; S71-K82 PolarHBondContact OG-NZ 2.98Å; S71-I95 PolarHBondContact N-O 3.07Å; S71-E96 VanDerWaalsContact C-OE2 3.26Å; S71-E96 WeakPolarHBondContact CB-OE2 3.33Å; S71-E96 PolarHBondContact OG-OE1 3.38Å; S71-E96 PolarHBondContact OG-OE2 3.4Å; S71-L97 PolarHBondContact O-N 2.7Å
72	K	98.3	Very high	97.2	Very high	60 Å²	60	46.3 Å²	46.3	26%	0.261	25%	0.246	S	C	.	.			trans	-129.8	142.9	157.1	-69.2	-177.4	-176	-174.1	0	109.8	T74 C75 C78 E96 L97 D98 V119	K72-T74 VanDerWaalsContact C-N 3.3Å; K72-T74 PolarHBondContact O-N 3.17Å; K72-C75 HydrophobicContact CB-CB 4.32Å; K72-C75 WeakPolarHBondContact O-CB 3.23Å; K72-C75 PolarHBondContact O-N 3.4Å; K72-C75 VanDerWaalsContact O-N 3.1Å; K72-C78 PolarHBondContact N-SG 3.26Å; K72-E96 VanDerWaalsContact CA-OE2 3.28Å; K72-E96 WeakPolarHBondContact CA-OE2 3.43Å; K72-E96 PolarHBondContact N-OE2 3.05Å; K72-L97 HydrophobicContact CG-CB 4.31Å; K72-D98 WeakPolarHBondContact CA-OD1 3.18Å; K72-D98 HydrophobicContact CB-CB 4.44Å; K72-D98 HydrophobicContact CD-CB 4.48Å; K72-D98 HydrophobicContact CG-CB 4.2Å; K72-V119 HydrophobicContact CB-CG2 4.2Å; K72-V119 HydrophobicContact CD-CG2 3.97Å; K72-V119 HydrophobicContact CG-CG1 4.28Å; K72-V119 HydrophobicContact CG-CG2 3.93Å
73	T	96.8	Very high	97.3	Very high	50 Å²	50	49.7 Å²	49.7	31%	0.307	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-37.5	-170	61.5	0	0	0	0	114.2	E96 D98 Q99	T73-E96 HydrophobicContact CG2-CB 4.19Å; T73-E96 HydrophobicContact CG2-CG 4Å; T73-E96 PolarHBondContact N-OE2 3.01Å; T73-D98 WeakPolarHBondContact CB-OD2 3.44Å; T73-D98 WeakPolarHBondContact CG2-OD2 3.47Å; T73-D98 PolarHBondContact N-OD1 3.26Å; T73-D98 PolarHBondContact N-OD2 3.39Å; T73-D98 PolarHBondContact OG1-OD2 3.37Å; T73-Q99 HydrophobicContact CG2-CG 4Å
74	T	94.8	Very high	97.5	Very high	122 Å²	122	46.6 Å²	46.6	75%	0.748	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.4	3.5	-176.6	57.2	0	0	0	0	114.2	K72	K72-T74 VanDerWaalsContact C-N 3.3Å; K72-T74 PolarHBondContact O-N 3.17Å
75	C	96.6	Very high	97.7	Very high	18 Å²	18	40.9 Å²	40.9	12%	0.122	22%	0.215	C	C	.	.			trans	-86.6	122.3	-173.8	-179.6	0	0	0	0	112.8	K72 Y77 C78 K79 V119	K72-C75 HydrophobicContact CB-CB 4.32Å; K72-C75 WeakPolarHBondContact O-CB 3.23Å; K72-C75 PolarHBondContact O-N 3.4Å; K72-C75 VanDerWaalsContact O-N 3.1Å; C75-Y77 PolarHBondContact O-N 3.47Å; C75-C78 HydrophobicContact CB-CB 3.87Å; C75-C78 WeakPolarHBondContact CB-SG 3.26Å; C75-C78 WeakPolarHBondContact O-CB 3.33Å; C75-C78 PolarHBondContact O-N 3.06Å; C75-C78 PolarHBondContact SG-SG 2.87Å; C75-K79 PolarHBondContact O-N 3.41Å; C75-V119 HydrophobicContact CB-CG2 4.48Å
76	P	97.9	Very high	97.9	Very high	91 Å²	91	42.6 Å²	42.6	59%	0.591	22%	0.224	S	C	*	.	H	α-helix	trans	-66.9	-35.7	179.4	26	-33.7	0	0	0	112.9	C78 K79 M80	P76-C78 VanDerWaalsContact C-N 3.28Å; P76-C78 PolarHBondContact O-N 3.15Å; P76-K79 PolarHBondContact O-N 3Å; P76-M80 PolarHBondContact O-N 3.1Å
77	Y	98.3	Very high	98	Very high	128 Å²	128	47 Å²	47	50%	0.502	24%	0.24	S	C	.	.	H	α-helix	trans	-66.6	-30.3	176.1	-68.3	-86.9	0	0	0	112.5	C75 M80 A81	C75-Y77 PolarHBondContact O-N 3.47Å; Y77-M80 HydrophobicContact CD1-CE 3.37Å; Y77-M80 HydrophobicContact CE1-CE 4.03Å; Y77-M80 HydrophobicContact CG-CE 4.25Å; Y77-A81 PolarHBondContact O-N 2.84Å; Y77-A81 VanDerWaalsContact O-N 3.07Å
78	C	98.2	Very high	97.9	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-69.2	-42.9	174	-64.1	0	0	0	0	111.1	S71 K72 C75 P76 M80 A81 K82 P120	S71-C78 WeakPolarHBondContact OG-CB 3.48Å; K72-C78 PolarHBondContact N-SG 3.26Å; C75-C78 HydrophobicContact CB-CB 3.87Å; C75-C78 WeakPolarHBondContact CB-SG 3.26Å; C75-C78 WeakPolarHBondContact O-CB 3.33Å; C75-C78 PolarHBondContact O-N 3.06Å; C75-C78 PolarHBondContact SG-SG 2.87Å; P76-C78 VanDerWaalsContact C-N 3.28Å; P76-C78 PolarHBondContact O-N 3.15Å; C78-M80 VanDerWaalsContact C-N 3.32Å; C78-M80 PolarHBondContact O-N 3.35Å; C78-A81 PolarHBondContact O-N 2.91Å; C78-K82 WeakPolarHBondContact O-CG 3.48Å; C78-K82 PolarHBondContact O-N 2.81Å; C78-P120 HydrophobicContact CB-CB 4.43Å
79	K	98.4	Very high	97.8	Very high	120 Å²	120	52.2 Å²	52.2	52%	0.522	28%	0.283	S	S	.	.	H	α-helix	trans	-59.4	-43.9	173.4	-65.7	-179.7	-178.9	-178.5	0	111.4	C75 P76 A81 K82 N83	C75-K79 PolarHBondContact O-N 3.41Å; P76-K79 PolarHBondContact O-N 3Å; K79-A81 PolarHBondContact O-N 2.99Å; K79-K82 PolarHBondContact O-N 3.4Å; K79-N83 WeakPolarHBondContact O-CB 3.34Å; K79-N83 VanDerWaalsContact O-CG 3.23Å; K79-N83 PolarHBondContact O-N 3.26Å; K79-N83 PolarHBondContact O-OD1 3.23Å
80	M	98.4	Very high	97.7	Very high	45 Å²	45	53 Å²	53	22%	0.222	29%	0.29	C	S	.	.	H	α-helix	trans	-58.2	-46.7	175.7	178.2	175.6	52.7	0	0	112.3	P76 Y77 C78 N83 V84 G132 K136	P76-M80 PolarHBondContact O-N 3.1Å; Y77-M80 HydrophobicContact CD1-CE 3.37Å; Y77-M80 HydrophobicContact CE1-CE 4.03Å; Y77-M80 HydrophobicContact CG-CE 4.25Å; C78-M80 VanDerWaalsContact C-N 3.32Å; C78-M80 PolarHBondContact O-N 3.35Å; M80-N83 PolarHBondContact O-N 2.95Å; M80-V84 WeakPolarHBondContact O-CG2 3.4Å; M80-V84 PolarHBondContact O-N 3.4Å; M80-G132 VanDerWaalsContact CE-C 3.45Å; M80-K136 HydrophobicContact CG-CB 4.47Å; M80-K136 HydrophobicContact CG-CD 4.16Å; M80-K136 HydrophobicContact SD-CB 4.24Å; M80-K136 HydrophobicContact SD-CD 3.57Å; M80-K136 VanDerWaalsContact SD-CD 3.57Å
81	A	98.5	Very high	97.5	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-61.1	-46.2	177.2	0	0	0	0	0	112.1	Y77 C78 K79 N83 V84 F85 P120 V122	Y77-A81 PolarHBondContact O-N 2.84Å; Y77-A81 VanDerWaalsContact O-N 3.07Å; C78-A81 PolarHBondContact O-N 2.91Å; K79-A81 PolarHBondContact O-N 2.99Å; A81-N83 VanDerWaalsContact C-N 3.33Å; A81-N83 PolarHBondContact O-N 2.89Å; A81-V84 PolarHBondContact O-N 3.23Å; A81-F85 WeakPolarHBondContact O-CD2 3.35Å; A81-F85 PolarHBondContact O-N 3.43Å; A81-P120 HydrophobicContact CB-CG 4.16Å; A81-V122 HydrophobicContact CB-CG2 4.15Å
82	K	98.6	Very high	97.5	Very high	36 Å²	36	62.5 Å²	62.5	16%	0.157	34%	0.337	C	S	.	.	H	α-helix	trans	-59.4	-43.2	177.4	-69	170.9	-174.4	177.3	0	112	I69 S71 C78 K79 V84 F85 N86 Y92 E96	I69-K82 HydrophobicContact CD1-CG 4.06Å; S71-K82 WeakPolarHBondContact OG-CE 3.21Å; S71-K82 PolarHBondContact OG-NZ 2.98Å; C78-K82 WeakPolarHBondContact O-CG 3.48Å; C78-K82 PolarHBondContact O-N 2.81Å; K79-K82 PolarHBondContact O-N 3.4Å; K82-V84 VanDerWaalsContact C-N 3.34Å; K82-V84 PolarHBondContact O-N 3.07Å; K82-F85 PolarHBondContact O-N 3.29Å; K82-N86 PolarHBondContact O-N 2.9Å; K82-N86 PolarHBondContact O-ND2 2.95Å; K82-N86 PolarHBondContact O-OD1 3.46Å; K82-Y92 HydrophobicContact CB-CE2 4.33Å; K82-Y92 HydrophobicContact CG-CE2 3.96Å; K82-E96 IonicContact NZ-OE1 2.6Å; K82-E96 PolarHBondContact NZ-OE1 3.47Å
83	N	98.5	Very high	97.4	Very high	82 Å²	82	64.4 Å²	64.4	44%	0.439	35%	0.346	S	S	.	.	H	α-helix	trans	-61.5	-41	178.5	-71.6	-1.4	0	0	0	112.1	K79 M80 A81 F85 N86 E87	K79-N83 WeakPolarHBondContact O-CB 3.34Å; K79-N83 VanDerWaalsContact O-CG 3.23Å; K79-N83 PolarHBondContact O-N 3.26Å; K79-N83 PolarHBondContact O-OD1 3.23Å; M80-N83 PolarHBondContact O-N 2.95Å; A81-N83 VanDerWaalsContact C-N 3.33Å; A81-N83 PolarHBondContact O-N 2.89Å; N83-F85 VanDerWaalsContact C-N 3.33Å; N83-F85 PolarHBondContact O-N 3.46Å; N83-N86 WeakPolarHBondContact O-CB 3.21Å; N83-N86 PolarHBondContact O-N 3.33Å; N83-N86 VanDerWaalsContact O-N 3.15Å; N83-E87 WeakPolarHBondContact O-CG 3.13Å; N83-E87 PolarHBondContact O-N 2.73Å
84	V	98.6	Very high	97.5	Very high	5 Å²	5	64.1 Å²	64.1	3%	0.03	34%	0.344	C	S	.	.	H	α-helix	trans	-57.8	-45	176.4	169.3	0	0	0	0	111.5	M80 A81 K82 E87 I88 T135 K136 H139 L144	M80-V84 WeakPolarHBondContact O-CG2 3.4Å; M80-V84 PolarHBondContact O-N 3.4Å; A81-V84 PolarHBondContact O-N 3.23Å; K82-V84 VanDerWaalsContact C-N 3.34Å; K82-V84 PolarHBondContact O-N 3.07Å; V84-E87 PolarHBondContact O-N 3.04Å; V84-I88 HydrophobicContact CG1-CD1 4.15Å; V84-I88 WeakPolarHBondContact O-CG1 3.4Å; V84-I88 PolarHBondContact O-N 3.31Å; V84-I88 VanDerWaalsContact O-N 3.17Å; V84-T135 HydrophobicContact CB-CG2 4.3Å; V84-T135 HydrophobicContact CG1-CG2 4.04Å; V84-K136 HydrophobicContact CG2-CB 4.17Å; V84-K136 HydrophobicContact CG2-CG 4.46Å; V84-H139 HydrophobicContact CG1-CB 3.5Å; V84-L144 HydrophobicContact CG1-CD2 3.61Å
85	F	98.3	Very high	97.7	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-71.3	-32.6	177.4	-68.2	-74.8	0	0	0	112.8	V67 I69 A81 K82 N83 I88 G89 A90 Y92 V122 V124 I129 T135 L144 I148	V67-F85 HydrophobicContact CB-CE1 4.46Å; V67-F85 HydrophobicContact CG1-CD1 3.98Å; V67-F85 HydrophobicContact CG1-CD2 4.26Å; V67-F85 HydrophobicContact CG1-CE1 3.62Å; V67-F85 HydrophobicContact CG1-CE2 3.93Å; V67-F85 HydrophobicContact CG1-CG 4.29Å; V67-F85 HydrophobicContact CG1-CZ 3.6Å; V67-F85 HydrophobicContact CG2-CD1 4.31Å; V67-F85 HydrophobicContact CG2-CE1 3.97Å; I69-F85 HydrophobicContact CD1-CD2 3.63Å; I69-F85 HydrophobicContact CD1-CE2 3.94Å; I69-F85 HydrophobicContact CG1-CD2 4.47Å; I69-F85 HydrophobicContact CG1-CE2 4.35Å; A81-F85 WeakPolarHBondContact O-CD2 3.35Å; A81-F85 PolarHBondContact O-N 3.43Å; K82-F85 PolarHBondContact O-N 3.29Å; N83-F85 VanDerWaalsContact C-N 3.33Å; N83-F85 PolarHBondContact O-N 3.46Å; F85-I88 PolarHBondContact O-N 3.46Å; F85-G89 PolarHBondContact O-N 3.37Å; F85-A90 HydrophobicContact CD1-CB 4.25Å; F85-A90 PolarHBondContact O-N 2.95Å; F85-Y92 HydrophobicContact CB-CD1 3.53Å; F85-Y92 HydrophobicContact CB-CE1 3.76Å; F85-Y92 HydrophobicContact CB-CG 4.38Å; F85-Y92 HydrophobicContact CG-CD1 4.31Å; F85-V122 HydrophobicContact CE2-CG1 3.65Å; F85-V122 HydrophobicContact CZ-CG1 3.67Å; F85-V124 HydrophobicContact CE1-CG2 4.23Å; F85-V124 HydrophobicContact CZ-CG2 4.04Å; F85-I129 HydrophobicContact CZ-CD1 4.45Å; F85-T135 HydrophobicContact CD2-CG2 4.44Å; F85-T135 HydrophobicContact CE2-CG2 3.66Å; F85-T135 HydrophobicContact CZ-CG2 3.96Å; F85-L144 HydrophobicContact CE1-CD1 4.22Å; F85-L144 HydrophobicContact CE1-CD2 4.01Å; F85-L144 HydrophobicContact CE1-CG 4.32Å; F85-L144 HydrophobicContact CZ-CD1 4.32Å; F85-L144 HydrophobicContact CZ-CD2 4.2Å; F85-I148 HydrophobicContact CD1-CD1 3.98Å; F85-I148 HydrophobicContact CE1-CD1 3.88Å; F85-I148 HydrophobicContact CE1-CG1 4.46Å
86	N	98.2	Very high	97.7	Very high	89 Å²	89	60 Å²	60	48%	0.476	31%	0.314	S	S	.	.	H	α-helix	trans	-63.2	-42	171.9	-65.7	-21.3	0	0	0	111.7	K82 N83 I88 G89 Y92	K82-N86 PolarHBondContact O-N 2.9Å; K82-N86 PolarHBondContact O-ND2 2.95Å; K82-N86 PolarHBondContact O-OD1 3.46Å; N83-N86 WeakPolarHBondContact O-CB 3.21Å; N83-N86 PolarHBondContact O-N 3.33Å; N83-N86 VanDerWaalsContact O-N 3.15Å; N86-I88 VanDerWaalsContact C-N 3.31Å; N86-I88 PolarHBondContact O-N 2.89Å; N86-G89 PolarHBondContact O-N 2.92Å; N86-Y92 WeakPolarHBondContact OD1-CE1 3.21Å; N86-Y92 PolarHBondContact OD1-OH 2.91Å
87	E	97.4	Very high	97.7	Very high	137 Å²	137	55.9 Å²	55.9	64%	0.64	29%	0.288	S	S	*	.	H	α-helix	trans	-63.2	-37.1	177.5	-74.6	167.2	-159.4	0	0	111.8	N83 V84 G89	N83-E87 WeakPolarHBondContact O-CG 3.13Å; N83-E87 PolarHBondContact O-N 2.73Å; V84-E87 PolarHBondContact O-N 3.04Å; E87-G89 VanDerWaalsContact C-N 3.28Å
88	I	96.2	Very high	97.7	Very high	45 Å²	45	53.3 Å²	53.3	23%	0.231	28%	0.282	C	S	.	.	H	α-helix	trans	-71.8	-24.4	173.8	-64.6	166.1	0	0	0	111.7	V84 F85 N86 A90 H139 L144 L145 I148	V84-I88 HydrophobicContact CG1-CD1 4.15Å; V84-I88 WeakPolarHBondContact O-CG1 3.4Å; V84-I88 PolarHBondContact O-N 3.31Å; V84-I88 VanDerWaalsContact O-N 3.17Å; F85-I88 PolarHBondContact O-N 3.46Å; N86-I88 VanDerWaalsContact C-N 3.31Å; N86-I88 PolarHBondContact O-N 2.89Å; I88-A90 HydrophobicContact CB-CB 4.46Å; I88-A90 HydrophobicContact CG2-CB 4.06Å; I88-H139 WeakPolarHBondContact CD1-ND1 3.46Å; I88-L144 HydrophobicContact CD1-CD2 3.71Å; I88-L144 HydrophobicContact CD1-CG 4.09Å; I88-L145 HydrophobicContact CG2-CD1 3.9Å; I88-I148 HydrophobicContact CD1-CD1 4.14Å; I88-I148 HydrophobicContact CG2-CD1 4.23Å
89	G	96.4	Very high	97.6	Very high	68 Å²	68	60 Å²	60	70%	0.701	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.7	22.2	-170.3	0	0	0	0	0	113.5	F85 N86 E87	F85-G89 PolarHBondContact O-N 3.37Å; N86-G89 PolarHBondContact O-N 2.92Å; E87-G89 VanDerWaalsContact C-N 3.28Å
90	A	95.4	Very high	97.3	Very high	17 Å²	17	57.7 Å²	57.7	14%	0.14	31%	0.305	C	S	.	.			trans	-85.4	139.6	179.3	0	0	0	0	0	111.5	F85 I88 Y92 I148	F85-A90 HydrophobicContact CD1-CB 4.25Å; F85-A90 PolarHBondContact O-N 2.95Å; I88-A90 HydrophobicContact CB-CB 4.46Å; I88-A90 HydrophobicContact CG2-CB 4.06Å; A90-Y92 WeakPolarHBondContact O-CD1 3.41Å; A90-I148 HydrophobicContact CB-CD1 3.99Å; A90-I148 HydrophobicContact CB-CG2 4.31Å
91	N	95.5	Very high	97.2	Very high	151 Å²	151	63.4 Å²	63.4	81%	0.807	34%	0.336	S	S	*	.			trans	-76.8	141.9	171.6	-168.2	15.5	0	0	0	110.8
92	Y	97.4	Very high	97	Very high	49 Å²	49	64.3 Å²	64.3	19%	0.192	34%	0.341	C	S	.	.			trans	-147.4	148.4	179.2	57.9	-88.9	0	0	0	112.5	V67 I69 K82 F85 N86 A90 V94	V67-Y92 WeakPolarHBondContact O-CA 3.48Å; I69-Y92 HydrophobicContact CD1-CD2 3.53Å; I69-Y92 HydrophobicContact CD1-CE2 3.93Å; I69-Y92 HydrophobicContact CD1-CG 3.94Å; I69-Y92 HydrophobicContact CG1-CD2 4.17Å; K82-Y92 HydrophobicContact CB-CE2 4.33Å; K82-Y92 HydrophobicContact CG-CE2 3.96Å; F85-Y92 HydrophobicContact CB-CD1 3.53Å; F85-Y92 HydrophobicContact CB-CE1 3.76Å; F85-Y92 HydrophobicContact CB-CG 4.38Å; F85-Y92 HydrophobicContact CG-CD1 4.31Å; N86-Y92 WeakPolarHBondContact OD1-CE1 3.21Å; N86-Y92 PolarHBondContact OD1-OH 2.91Å; A90-Y92 WeakPolarHBondContact O-CD1 3.41Å; Y92-V94 HydrophobicContact CD2-CG2 3.45Å; Y92-V94 VanDerWaalsContact CD2-CG2 3.45Å; Y92-V94 HydrophobicContact CE2-CG2 3.32Å
93	K	97.9	Very high	96.8	Very high	99 Å²	99	62.7 Å²	62.7	43%	0.43	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	129.9	171	-176.4	67.8	175.1	-173.7	0	109.9	N65 V67 V68 I69 I95	N65-K93 HydrophobicContact CB-CB 4.21Å; V67-K93 PolarHBondContact O-N 2.94Å; V68-K93 CarbonylContact C-O 3.5Å; V68-K93 WeakPolarHBondContact CA-O 3.33Å; V68-K93 HydrophobicContact CG2-CB 4.37Å; I69-K93 PolarHBondContact N-O 3.41Å; K93-I95 HydrophobicContact CD-CD1 4.45Å; K93-I95 HydrophobicContact CG-CD1 3.99Å
94	V	98.3	Very high	96.7	Very high	44 Å²	44	65.6 Å²	65.6	27%	0.267	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	134	172.2	-175.7	0	0	0	0	110.1	I69 Y92 E96	I69-V94 WeakPolarHBondContact O-CA 3.48Å; Y92-V94 HydrophobicContact CD2-CG2 3.45Å; Y92-V94 VanDerWaalsContact CD2-CG2 3.45Å; Y92-V94 HydrophobicContact CE2-CG2 3.32Å; V94-E96 HydrophobicContact CG1-CG 4.12Å; V94-E96 WeakPolarHBondContact CG1-OE1 3.36Å
95	I	98	Very high	96.6	Very high	18 Å²	18	70.5 Å²	70.5	9%	0.092	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	107.2	170.6	-50.1	-61.7	0	0	0	108.2	M61 V68 I69 F70 S71 K93 L97	M61-I95 HydrophobicContact CE-CG1 4.27Å; M61-I95 HydrophobicContact SD-CD1 3.42Å; M61-I95 WeakPolarHBondContact SD-CD1 3.19Å; M61-I95 HydrophobicContact SD-CG1 3.67Å; V68-I95 HydrophobicContact CG1-CG1 4.35Å; I69-I95 PolarHBondContact O-N 3.43Å; F70-I95 HydrophobicContact CD1-CB 3.81Å; F70-I95 HydrophobicContact CD1-CG1 4.21Å; F70-I95 HydrophobicContact CD1-CG2 4.13Å; F70-I95 HydrophobicContact CE1-CB 4.04Å; F70-I95 HydrophobicContact CE1-CG1 4Å; F70-I95 HydrophobicContact CE1-CG2 4.24Å; S71-I95 PolarHBondContact N-O 3.07Å; K93-I95 HydrophobicContact CD-CD1 4.45Å; K93-I95 HydrophobicContact CG-CD1 3.99Å; I95-L97 HydrophobicContact CG2-CD2 4.26Å; I95-L97 PolarHBondContact O-N 2.87Å
96	E	98.2	Very high	96.5	Very high	35 Å²	35	70.5 Å²	70.5	16%	0.164	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	102	178.1	-60.9	-64.7	178.6	0	0	110.1	S71 K72 T73 K82 V94 D98 Q99 H100	S71-E96 VanDerWaalsContact C-OE2 3.26Å; S71-E96 WeakPolarHBondContact CB-OE2 3.33Å; S71-E96 PolarHBondContact OG-OE1 3.38Å; S71-E96 PolarHBondContact OG-OE2 3.4Å; K72-E96 VanDerWaalsContact CA-OE2 3.28Å; K72-E96 WeakPolarHBondContact CA-OE2 3.43Å; K72-E96 PolarHBondContact N-OE2 3.05Å; T73-E96 HydrophobicContact CG2-CB 4.19Å; T73-E96 HydrophobicContact CG2-CG 4Å; T73-E96 PolarHBondContact N-OE2 3.01Å; K82-E96 IonicContact NZ-OE1 2.6Å; K82-E96 PolarHBondContact NZ-OE1 3.47Å; V94-E96 HydrophobicContact CG1-CG 4.12Å; V94-E96 WeakPolarHBondContact CG1-OE1 3.36Å; E96-D98 PolarHBondContact O-N 3.07Å; E96-Q99 HydrophobicContact CB-CB 4.2Å; E96-Q99 HydrophobicContact CB-CG 4.26Å; E96-Q99 PolarHBondContact O-N 3.29Å; E96-Q99 VanDerWaalsContact O-N 3.12Å; E96-H100 PolarHBondContact O-N 3.36Å; E96-H100 VanDerWaalsContact O-N 3.14Å
97	L	97.7	Very high	96.5	Very high	6 Å²	6	67.2 Å²	67.2	3%	0.031	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-22.1	-174.5	-62	-178.9	0	0	0	113.2	F70 S71 K72 I95 Q99 G103 L106 Q107 L110 V119	F70-L97 HydrophobicContact CB-CD1 4.46Å; F70-L97 HydrophobicContact CD1-CD2 4.1Å; S71-L97 PolarHBondContact O-N 2.7Å; K72-L97 HydrophobicContact CG-CB 4.31Å; I95-L97 HydrophobicContact CG2-CD2 4.26Å; I95-L97 PolarHBondContact O-N 2.87Å; L97-Q99 VanDerWaalsContact C-N 3.32Å; L97-G103 VanDerWaalsContact O-CA 3.23Å; L97-G103 WeakPolarHBondContact O-CA 3.43Å; L97-L106 HydrophobicContact CD2-CB 3.78Å; L97-L106 HydrophobicContact CD2-CD1 4.21Å; L97-Q107 HydrophobicContact CD1-CB 4.02Å; L97-Q107 HydrophobicContact CD1-CG 4.04Å; L97-L110 HydrophobicContact CD1-CD1 3.87Å; L97-V119 HydrophobicContact CD1-CG1 3.75Å
98	D	96.8	Very high	96.5	Very high	73 Å²	73	64.3 Å²	64.3	39%	0.39	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-15.9	175.6	58	-49.9	0	0	0	113.3	K72 T73 E96	K72-D98 WeakPolarHBondContact CA-OD1 3.18Å; K72-D98 HydrophobicContact CB-CB 4.44Å; K72-D98 HydrophobicContact CD-CB 4.48Å; K72-D98 HydrophobicContact CG-CB 4.2Å; T73-D98 WeakPolarHBondContact CB-OD2 3.44Å; T73-D98 WeakPolarHBondContact CG2-OD2 3.47Å; T73-D98 PolarHBondContact N-OD1 3.26Å; T73-D98 PolarHBondContact N-OD2 3.39Å; T73-D98 PolarHBondContact OG1-OD2 3.37Å; E96-D98 PolarHBondContact O-N 3.07Å
99	Q	96.9	Very high	96.6	Very high	141 Å²	141	62.3 Å²	62.3	66%	0.659	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.7	-9.2	177.9	-61	-175.5	-30.5	0	0	112.9	T73 E96 L97	T73-Q99 HydrophobicContact CG2-CG 4Å; E96-Q99 HydrophobicContact CB-CB 4.2Å; E96-Q99 HydrophobicContact CB-CG 4.26Å; E96-Q99 PolarHBondContact O-N 3.29Å; E96-Q99 VanDerWaalsContact O-N 3.12Å; L97-Q99 VanDerWaalsContact C-N 3.32Å
100	H	93.1	Very high	96.6	Very high	71 Å²	71	59.1 Å²	59.1	33%	0.329	29%	0.286	S	S	.	.	S	Bend	trans	-88.4	132.9	179.5	-164.1	-71.9	0	0	0	111	E96 D102 G103	E96-H100 PolarHBondContact O-N 3.36Å; E96-H100 VanDerWaalsContact O-N 3.14Å; H100-D102 VanDerWaalsContact C-N 3.29Å; H100-D102 IonicContact CE1-OD2 3.73Å; H100-D102 PolarHBondContact ND1-N 2.74Å; H100-D102 PolarHBondContact O-N 3.32Å; H100-G103 WeakPolarHBondContact O-CA 3.38Å; H100-G103 PolarHBondContact O-N 2.81Å
101	N	94.4	Very high	96.7	Very high	165 Å²	165	59.7 Å²	59.7	88%	0.882	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	-46	179.9	-68.1	-22.6	0	0	0	112.2	G103	N101-G103 VanDerWaalsContact C-N 3.31Å; N101-G103 PolarHBondContact O-N 2.93Å
102	D	94.9	Very high	96.8	Very high	20 Å²	20	58.6 Å²	58.6	11%	0.107	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	17.7	176.6	-53.7	-81.5	0	0	0	114.5	G48 L49 H100 K104 R105 L106	G48-D102 WeakPolarHBondContact CA-OD1 3.27Å; L49-D102 HydrophobicContact CB-CB 4.49Å; L49-D102 WeakPolarHBondContact CD1-OD2 3.47Å; L49-D102 PolarHBondContact N-OD1 3.49Å; H100-D102 VanDerWaalsContact C-N 3.29Å; H100-D102 IonicContact CE1-OD2 3.73Å; H100-D102 PolarHBondContact ND1-N 2.74Å; H100-D102 PolarHBondContact O-N 3.32Å; D102-K104 VanDerWaalsContact C-N 3.28Å; D102-K104 PolarHBondContact O-N 3.1Å; D102-K104 VanDerWaalsContact O-N 3.14Å; D102-R105 PolarHBondContact O-N 3.25Å; D102-L106 PolarHBondContact O-N 2.91Å
103	G	95.3	Very high	96.7	Very high	2 Å²	2	59.5 Å²	59.5	2%	0.021	29%	0.289	C	S	.	.	H	α-helix	trans	-54.9	-37.9	-170.6	0	0	0	0	0	115.1	L97 H100 N101 Q107	L97-G103 VanDerWaalsContact O-CA 3.23Å; L97-G103 WeakPolarHBondContact O-CA 3.43Å; H100-G103 WeakPolarHBondContact O-CA 3.38Å; H100-G103 PolarHBondContact O-N 2.81Å; N101-G103 VanDerWaalsContact C-N 3.31Å; N101-G103 PolarHBondContact O-N 2.93Å; G103-Q107 WeakPolarHBondContact O-CB 3.12Å; G103-Q107 PolarHBondContact O-N 3.49Å
104	K	96	Very high	96.6	Very high	142 Å²	142	56.5 Å²	56.5	62%	0.617	28%	0.279	S	S	*	.	H	α-helix	trans	-63.9	-44.6	174.5	-174.6	-177	173.9	-171.7	0	112	D102 Q107 E108	D102-K104 VanDerWaalsContact C-N 3.28Å; D102-K104 PolarHBondContact O-N 3.1Å; D102-K104 VanDerWaalsContact O-N 3.14Å; K104-Q107 WeakPolarHBondContact O-CB 3.18Å; K104-Q107 PolarHBondContact O-N 2.89Å; K104-E108 WeakPolarHBondContact CE-OE1 3.45Å; K104-E108 WeakPolarHBondContact O-CG 3.39Å; K104-E108 PolarHBondContact O-N 3.47Å
105	R	96.3	Very high	96.5	Very high	109 Å²	109	57.7 Å²	57.7	41%	0.411	30%	0.3	S	S	.	.	H	α-helix	trans	-70.9	-37	-179.7	-63.5	-176.5	177.9	170.7	0.6	111.5	G48 L49 C54 D102 Q107 E108 A109	G48-R105 PolarHBondContact O-NH1 2.98Å; L49-R105 WeakPolarHBondContact O-CD 3.46Å; L49-R105 PolarHBondContact O-NH1 2.91Å; C54-R105 HydrophobicContact CB-CB 4.49Å; C54-R105 VanDerWaalsContact SG-CB 3.51Å; D102-R105 PolarHBondContact O-N 3.25Å; R105-Q107 VanDerWaalsContact C-N 3.32Å; R105-Q107 PolarHBondContact O-N 3.48Å; R105-E108 WeakPolarHBondContact O-CB 3.43Å; R105-E108 PolarHBondContact O-N 3.48Å; R105-A109 PolarHBondContact O-N 2.88Å
106	L	97.1	Very high	96.4	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-61.6	-40.6	169.2	-73.1	172.4	0	0	0	111.5	C54 L57 V58 L97 D102 E108 A109 L110	C54-L106 HydrophobicContact CB-CD2 4.06Å; L57-L106 HydrophobicContact CD2-CD2 4.2Å; V58-L106 HydrophobicContact CG2-CD2 3.8Å; L97-L106 HydrophobicContact CD2-CB 3.78Å; L97-L106 HydrophobicContact CD2-CD1 4.21Å; D102-L106 PolarHBondContact O-N 2.91Å; L106-E108 VanDerWaalsContact C-N 3.29Å; L106-E108 PolarHBondContact O-N 2.98Å; L106-A109 WeakPolarHBondContact O-CB 3.47Å; L106-A109 PolarHBondContact O-N 3.1Å; L106-L110 WeakPolarHBondContact O-CG 3.4Å; L106-L110 PolarHBondContact O-N 3.24Å
107	Q	97.6	Very high	96.2	Very high	20 Å²	20	64.2 Å²	64.2	9%	0.093	33%	0.328	C	S	.	.	H	α-helix	trans	-64.3	-34.1	175.3	-157.8	178.4	-4.2	0	0	112.5	L97 G103 K104 R105 A111 R117	L97-Q107 HydrophobicContact CD1-CB 4.02Å; L97-Q107 HydrophobicContact CD1-CG 4.04Å; G103-Q107 WeakPolarHBondContact O-CB 3.12Å; G103-Q107 PolarHBondContact O-N 3.49Å; K104-Q107 WeakPolarHBondContact O-CB 3.18Å; K104-Q107 PolarHBondContact O-N 2.89Å; R105-Q107 VanDerWaalsContact C-N 3.32Å; R105-Q107 PolarHBondContact O-N 3.48Å; Q107-A111 PolarHBondContact O-N 2.6Å; Q107-R117 HydrophobicContact CG-CG 3.86Å; Q107-R117 WeakPolarHBondContact CG-O 3.49Å; Q107-R117 PolarHBondContact NE2-O 3.41Å
108	E	97.5	Very high	96.1	Very high	76 Å²	76	67.9 Å²	67.9	36%	0.355	35%	0.351	S	S	.	.	H	α-helix	trans	-69.7	-42	172.6	-71.1	162.6	-167.9	0	0	111.6	K104 R105 L106 L110 A111 Q112	K104-E108 WeakPolarHBondContact CE-OE1 3.45Å; K104-E108 WeakPolarHBondContact O-CG 3.39Å; K104-E108 PolarHBondContact O-N 3.47Å; R105-E108 WeakPolarHBondContact O-CB 3.43Å; R105-E108 PolarHBondContact O-N 3.48Å; L106-E108 VanDerWaalsContact C-N 3.29Å; L106-E108 PolarHBondContact O-N 2.98Å; E108-L110 VanDerWaalsContact C-N 3.33Å; E108-L110 PolarHBondContact O-N 2.81Å; E108-A111 WeakPolarHBondContact O-CB 3.47Å; E108-A111 PolarHBondContact O-N 2.65Å; E108-A111 VanDerWaalsContact O-N 3.13Å; E108-Q112 WeakPolarHBondContact O-CG 3.48Å; E108-Q112 PolarHBondContact O-N 3Å
109	A	97.1	Very high	96.2	Very high	2 Å²	2	65.6 Å²	65.6	2%	0.017	34%	0.34	C	S	.	.	H	α-helix	trans	-60.3	-41.3	173.9	0	0	0	0	0	112.1	C54 V55 V58 R105 L106 A111 Q112 L113	C54-A109 HydrophobicContact CB-CB 3.98Å; V55-A109 HydrophobicContact CB-CB 4.45Å; V55-A109 HydrophobicContact CG2-CB 3.69Å; V58-A109 HydrophobicContact CG2-CB 4.38Å; R105-A109 PolarHBondContact O-N 2.88Å; L106-A109 WeakPolarHBondContact O-CB 3.47Å; L106-A109 PolarHBondContact O-N 3.1Å; A109-A111 VanDerWaalsContact C-N 3.3Å; A109-A111 PolarHBondContact O-N 3.29Å; A109-Q112 WeakPolarHBondContact O-CB 3.45Å; A109-Q112 PolarHBondContact O-N 3.18Å; A109-L113 WeakPolarHBondContact O-CG 3.4Å; A109-L113 PolarHBondContact O-N 3.13Å
110	L	97.7	Very high	96.2	Very high	1 Å²	1	59 Å²	59	1%	0.005	31%	0.309	C	S	.	.	H	α-helix	trans	-60.9	-39.2	173.6	-71.8	168.9	0	0	0	112.3	V58 F70 L97 L106 E108 Q112 L113 T114 R121 F123	V58-L110 HydrophobicContact CG1-CD2 3.88Å; V58-L110 HydrophobicContact CG2-CD2 4.36Å; V58-L110 HydrophobicContact CG2-CG 4.47Å; F70-L110 HydrophobicContact CB-CD1 3.6Å; F70-L110 HydrophobicContact CB-CD2 4.48Å; F70-L110 HydrophobicContact CD1-CD1 3.86Å; F70-L110 HydrophobicContact CD1-CD2 4.31Å; F70-L110 HydrophobicContact CD2-CD1 4.2Å; F70-L110 HydrophobicContact CD2-CD2 3.58Å; F70-L110 HydrophobicContact CE1-CD2 4.46Å; F70-L110 HydrophobicContact CE2-CD2 3.77Å; F70-L110 HydrophobicContact CG-CD1 3.62Å; F70-L110 HydrophobicContact CG-CD2 3.86Å; F70-L110 HydrophobicContact CG-CG 4.33Å; F70-L110 HydrophobicContact CZ-CD2 4.22Å; L97-L110 HydrophobicContact CD1-CD1 3.87Å; L106-L110 WeakPolarHBondContact O-CG 3.4Å; L106-L110 PolarHBondContact O-N 3.24Å; E108-L110 VanDerWaalsContact C-N 3.33Å; E108-L110 PolarHBondContact O-N 2.81Å; L110-Q112 VanDerWaalsContact C-N 3.34Å; L110-L113 PolarHBondContact O-N 3.2Å; L110-T114 WeakPolarHBondContact O-CB 3.34Å; L110-T114 PolarHBondContact O-N 3.42Å; L110-T114 PolarHBondContact O-OG1 3.25Å; L110-R121 HydrophobicContact CB-CG 4.37Å; L110-R121 HydrophobicContact CD1-CB 4.49Å; L110-R121 HydrophobicContact CD1-CG 4.38Å; L110-R121 HydrophobicContact CD2-CB 4.25Å; L110-R121 HydrophobicContact CD2-CG 4.43Å; L110-F123 HydrophobicContact CD2-CE2 3.78Å; L110-F123 HydrophobicContact CD2-CZ 4.1Å
111	A	97.3	Very high	96.5	Very high	29 Å²	29	56.6 Å²	56.6	24%	0.24	30%	0.297	C	S	.	.	H	α-helix	trans	-65.3	-38.3	175.5	0	0	0	0	0	111.8	Q107 E108 A109 G115 R117	Q107-A111 PolarHBondContact O-N 2.6Å; E108-A111 WeakPolarHBondContact O-CB 3.47Å; E108-A111 PolarHBondContact O-N 2.65Å; E108-A111 VanDerWaalsContact O-N 3.13Å; A109-A111 VanDerWaalsContact C-N 3.3Å; A109-A111 PolarHBondContact O-N 3.29Å; A111-G115 CarbonylContact O-C 3.56Å; A111-G115 WeakPolarHBondContact O-CA 3.39Å; A111-G115 PolarHBondContact O-N 3.44Å; A111-R117 HydrophobicContact CB-CB 3.86Å; A111-R117 HydrophobicContact CB-CG 4.24Å
112	Q	96.5	Very high	96.7	Very high	129 Å²	129	48.8 Å²	48.8	60%	0.603	26%	0.255	S	S	*	.	H	α-helix	trans	-65.8	-42.5	175.1	-67	173.7	30.7	0	0	112.1	E108 A109 L110	E108-Q112 WeakPolarHBondContact O-CG 3.48Å; E108-Q112 PolarHBondContact O-N 3Å; A109-Q112 WeakPolarHBondContact O-CB 3.45Å; A109-Q112 PolarHBondContact O-N 3.18Å; L110-Q112 VanDerWaalsContact C-N 3.34Å
113	L	95.5	Very high	96.9	Very high	68 Å²	68	48.5 Å²	48.5	36%	0.356	25%	0.253	S	S	.	.	H	α-helix	trans	-76.1	-35	-176.9	-71.8	171.2	0	0	0	113.7	V55 V58 Q59 A109 L110	V55-L113 HydrophobicContact CG1-CD1 4.3Å; V55-L113 HydrophobicContact CG1-CD2 3.98Å; V55-L113 HydrophobicContact CG1-CG 4.26Å; V58-L113 HydrophobicContact CB-CD1 3.94Å; V58-L113 HydrophobicContact CG1-CD1 3.5Å; V58-L113 VanDerWaalsContact CG1-CD1 3.5Å; Q59-L113 HydrophobicContact CG-CD1 4.33Å; Q59-L113 HydrophobicContact CG-CD2 4.41Å; A109-L113 WeakPolarHBondContact O-CG 3.4Å; A109-L113 PolarHBondContact O-N 3.13Å; L110-L113 PolarHBondContact O-N 3.2Å
114	T	96.6	Very high	97	Very high	36 Å²	36	48.6 Å²	48.6	22%	0.221	25%	0.253	C	S	.	.	H	α-helix	trans	-113.8	-7.6	-171	70.4	0	0	0	0	113.8	L110 V116 F123 C128	L110-T114 WeakPolarHBondContact O-CB 3.34Å; L110-T114 PolarHBondContact O-N 3.42Å; L110-T114 PolarHBondContact O-OG1 3.25Å; T114-V116 PolarHBondContact O-N 2.87Å; T114-V116 PolarHBondContact OG1-N 3.02Å; T114-V116 PolarHBondContact OG1-O 3.22Å; T114-V116 VanDerWaalsContact OG1-O 3.07Å; T114-F123 HydrophobicContact CG2-CE1 4.21Å; T114-F123 HydrophobicContact CG2-CE2 4.4Å; T114-F123 HydrophobicContact CG2-CZ 3.56Å; T114-C128 HydrophobicContact CG2-CB 3.92Å
115	G	96.5	Very high	96.9	Very high	68 Å²	68	45 Å²	45	70%	0.701	24%	0.24	S	C	*	.	S	Bend	trans	74.5	-5.4	-170.9	0	0	0	0	0	114.4	A111	A111-G115 CarbonylContact O-C 3.56Å; A111-G115 WeakPolarHBondContact O-CA 3.39Å; A111-G115 PolarHBondContact O-N 3.44Å
116	V	95.8	Very high	96.8	Very high	58 Å²	58	41.9 Å²	41.9	35%	0.352	24%	0.242	S	C	.	.			trans	-130.2	128.3	-173.2	-179.8	0	0	0	0	111.3	T114 T118	T114-V116 PolarHBondContact O-N 2.87Å; T114-V116 PolarHBondContact OG1-N 3.02Å; T114-V116 PolarHBondContact OG1-O 3.22Å; T114-V116 VanDerWaalsContact OG1-O 3.07Å; V116-T118 HydrophobicContact CG1-CG2 4.46Å; V116-T118 WeakPolarHBondContact CG1-OG1 3.32Å
117	R	93.4	Very high	96.8	Very high	132 Å²	132	45.5 Å²	45.5	50%	0.498	27%	0.268	S	S	.	.			trans	-85.8	-15.4	-178.4	-167.9	-178.7	166.2	-153.9	-5.2	114	Q107 A111	Q107-R117 HydrophobicContact CG-CG 3.86Å; Q107-R117 WeakPolarHBondContact CG-O 3.49Å; Q107-R117 PolarHBondContact NE2-O 3.41Å; A111-R117 HydrophobicContact CB-CB 3.86Å; A111-R117 HydrophobicContact CB-CG 4.24Å
118	T	96.2	Very high	96.8	Very high	83 Å²	83	47 Å²	47	51%	0.509	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-74.1	144.3	-169.4	57.4	0	0	0	0	112.6	V116 R121	V116-T118 HydrophobicContact CG1-CG2 4.46Å; V116-T118 WeakPolarHBondContact CG1-OG1 3.32Å; T118-R121 WeakPolarHBondContact O-CG 3.38Å; T118-R121 PolarHBondContact O-NE 3.21Å
119	V	97.6	Very high	96.8	Very high	26 Å²	26	44.7 Å²	44.7	16%	0.158	27%	0.27	C	S	.	.	S	Bend	trans	-91.8	149.7	169.5	-66.3	0	0	0	0	110.5	K72 C75 L97	K72-V119 HydrophobicContact CB-CG2 4.2Å; K72-V119 HydrophobicContact CD-CG2 3.97Å; K72-V119 HydrophobicContact CG-CG1 4.28Å; K72-V119 HydrophobicContact CG-CG2 3.93Å; C75-V119 HydrophobicContact CB-CG2 4.48Å; L97-V119 HydrophobicContact CD1-CG1 3.75Å
120	P	98.4	Very high	96.9	Very high	2 Å²	2	45 Å²	45	1%	0.013	27%	0.274	C	S	.	.	P	Polyproline II helix	cis	-72.9	155.7	-6.3	31.7	-35.2	0	0	0	111.8	I69 F70 C78 A81 V122 G131 G132	I69-P120 HydrophobicContact CG2-CB 4.23Å; F70-P120 WeakPolarHBondContact O-CA 3.41Å; C78-P120 HydrophobicContact CB-CB 4.43Å; A81-P120 HydrophobicContact CB-CG 4.16Å; P120-V122 HydrophobicContact CB-CG2 4.29Å; P120-G131 WeakPolarHBondContact O-CA 3.19Å; P120-G132 VanDerWaalsContact CG-N 3.27Å
121	R	98.6	Very high	96.9	Very high	21 Å²	21	45.1 Å²	45.1	8%	0.079	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	122	157.9	-69.6	-62.6	84.5	-165.3	-0.2	107.7	F70 L110 T118 F123 G131	F70-R121 HydrophobicContact CB-CB 4.29Å; F70-R121 PolarHBondContact N-O 3.02Å; F70-R121 PolarHBondContact O-N 2.91Å; F70-R121 VanDerWaalsContact O-N 3.1Å; L110-R121 HydrophobicContact CB-CG 4.37Å; L110-R121 HydrophobicContact CD1-CB 4.49Å; L110-R121 HydrophobicContact CD1-CG 4.38Å; L110-R121 HydrophobicContact CD2-CB 4.25Å; L110-R121 HydrophobicContact CD2-CG 4.43Å; T118-R121 WeakPolarHBondContact O-CG 3.38Å; T118-R121 PolarHBondContact O-NE 3.21Å; R121-F123 HydrophobicContact CB-CE2 4.13Å; R121-G131 VanDerWaalsContact NH2-N 3.13Å
122	V	98.6	Very high	96.9	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	130.7	-175.9	-175.3	0	0	0	0	109.3	V68 I69 A81 F85 P120 V124 C128 I129 G130 T135	V68-V122 WeakPolarHBondContact O-CA 3.49Å; I69-V122 HydrophobicContact CG1-CG1 4.44Å; I69-V122 HydrophobicContact CG2-CG2 4.34Å; A81-V122 HydrophobicContact CB-CG2 4.15Å; F85-V122 HydrophobicContact CE2-CG1 3.65Å; F85-V122 HydrophobicContact CZ-CG1 3.67Å; P120-V122 HydrophobicContact CB-CG2 4.29Å; V122-V124 HydrophobicContact CG1-CG2 4.42Å; V122-C128 WeakPolarHBondContact O-CA 3.42Å; V122-I129 HydrophobicContact CB-CD1 4.22Å; V122-I129 HydrophobicContact CB-CG1 3.82Å; V122-I129 HydrophobicContact CG1-CD1 3.72Å; V122-I129 HydrophobicContact CG1-CG1 3.76Å; V122-I129 PolarHBondContact O-N 3.44Å; V122-G130 PolarHBondContact N-O 2.82Å; V122-T135 WeakPolarHBondContact CG2-OG1 3.38Å
123	F	98.4	Very high	97	Very high	15 Å²	15	40.8 Å²	40.8	7%	0.066	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	136.5	174.4	-66.6	-102.4	0	0	0	109.5	V62 V67 V68 F70 L110 T114 R121 S127 C128	V62-F123 HydrophobicContact CB-CD1 4.44Å; V62-F123 HydrophobicContact CG1-CB 4.08Å; V62-F123 HydrophobicContact CG1-CD1 3.74Å; V62-F123 HydrophobicContact CG1-CE1 4.47Å; V62-F123 HydrophobicContact CG1-CG 4.11Å; V62-F123 HydrophobicContact CG2-CB 3.9Å; V62-F123 HydrophobicContact CG2-CD1 3.75Å; V62-F123 HydrophobicContact CG2-CD2 3.87Å; V62-F123 HydrophobicContact CG2-CE1 4.19Å; V62-F123 HydrophobicContact CG2-CE2 4.32Å; V62-F123 HydrophobicContact CG2-CG 3.57Å; V62-F123 HydrophobicContact CG2-CZ 4.46Å; V67-F123 WeakPolarHBondContact CA-O 3.4Å; V68-F123 HydrophobicContact CB-CB 4.46Å; V68-F123 PolarHBondContact N-O 2.98Å; V68-F123 PolarHBondContact O-N 3.38Å; F70-F123 AromaticContact CD2-CD2 3.9Å; F70-F123 HydrophobicContact CD2-CD2 3.9Å; F70-F123 AromaticContact CD2-CE2 3.77Å; F70-F123 HydrophobicContact CD2-CE2 3.77Å; F70-F123 AromaticContact CE2-CD2 3.81Å; F70-F123 HydrophobicContact CE2-CD2 3.81Å; F70-F123 AromaticContact CE2-CE2 3.73Å; F70-F123 HydrophobicContact CE2-CE2 3.73Å; L110-F123 HydrophobicContact CD2-CE2 3.78Å; L110-F123 HydrophobicContact CD2-CZ 4.1Å; T114-F123 HydrophobicContact CG2-CE1 4.21Å; T114-F123 HydrophobicContact CG2-CE2 4.4Å; T114-F123 HydrophobicContact CG2-CZ 3.56Å; R121-F123 HydrophobicContact CB-CE2 4.13Å; F123-S127 CarbonylContact C-O 3.53Å; F123-S127 VanDerWaalsContact CA-O 3.23Å; F123-S127 WeakPolarHBondContact CA-O 3.38Å; F123-C128 HydrophobicContact CD1-CB 3.83Å; F123-C128 HydrophobicContact CE1-CB 3.56Å; F123-C128 HydrophobicContact CG-CB 4.49Å; F123-C128 HydrophobicContact CZ-CB 3.99Å
124	V	97.5	Very high	97.1	Very high	4 Å²	4	40.8 Å²	40.8	2%	0.024	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	126.9	173.6	-177.3	0	0	0	0	108.2	C66 V67 F85 V122 G126 S127 I129 L144 L147 I148	C66-V124 CarbonylContact O-C 3.52Å; C66-V124 VanDerWaalsContact O-CA 3.26Å; C66-V124 WeakPolarHBondContact O-CA 3.37Å; V67-V124 HydrophobicContact CG1-CG2 4.47Å; V67-V124 HydrophobicContact CG2-CG1 4.44Å; V67-V124 HydrophobicContact CG2-CG2 4.3Å; F85-V124 HydrophobicContact CE1-CG2 4.23Å; F85-V124 HydrophobicContact CZ-CG2 4.04Å; V122-V124 HydrophobicContact CG1-CG2 4.42Å; V124-G126 VanDerWaalsContact C-N 3.33Å; V124-G126 PolarHBondContact O-N 3.03Å; V124-S127 PolarHBondContact N-O 3.31Å; V124-S127 PolarHBondContact O-N 3.45Å; V124-I129 HydrophobicContact CB-CG2 4.13Å; V124-I129 HydrophobicContact CG2-CD1 3.76Å; V124-I129 HydrophobicContact CG2-CG1 4.26Å; V124-I129 HydrophobicContact CG2-CG2 4.19Å; V124-L144 HydrophobicContact CG2-CD1 4.26Å; V124-L147 HydrophobicContact CG1-CB 3.83Å; V124-I148 HydrophobicContact CG1-CG1 4.02Å
125	N	94.9	Very high	97.2	Very high	65 Å²	65	39 Å²	39	35%	0.348	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.8	52.1	-178.7	-163.4	27.9	0	0	0	112.7	C66 S127 R150	C66-N125 PolarHBondContact O-N 3.46Å; N125-S127 PolarHBondContact O-N 3.47Å; N125-S127 VanDerWaalsContact O-N 3.1Å; N125-R150 PolarHBondContact ND2-O 3.31Å
126	G	94.7	Very high	97.3	Very high	44 Å²	44	40.1 Å²	40.1	45%	0.454	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.5	-13.1	-179.2	0	0	0	0	0	116.1	V62 V124	V62-G126 VanDerWaalsContact CG1-CA 3.5Å; V62-G126 WeakPolarHBondContact CG1-O 3.43Å; V124-G126 VanDerWaalsContact C-N 3.33Å; V124-G126 PolarHBondContact O-N 3.03Å
127	S	96.3	Very high	97.4	Very high	76 Å²	76	42.2 Å²	42.2	53%	0.531	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	136.4	-171.6	-60.9	0	0	0	0	112.4	F123 V124 N125 I129	F123-S127 CarbonylContact C-O 3.53Å; F123-S127 VanDerWaalsContact CA-O 3.23Å; F123-S127 WeakPolarHBondContact CA-O 3.38Å; V124-S127 PolarHBondContact N-O 3.31Å; V124-S127 PolarHBondContact O-N 3.45Å; N125-S127 PolarHBondContact O-N 3.47Å; N125-S127 VanDerWaalsContact O-N 3.1Å; S127-I129 PolarHBondContact O-N 2.92Å
128	C	97.9	Very high	97.6	Very high	52 Å²	52	37.7 Å²	37.7	35%	0.351	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	121.9	174.1	-169.6	0	0	0	0	110.3	T114 V122 F123	T114-C128 HydrophobicContact CG2-CB 3.92Å; V122-C128 WeakPolarHBondContact O-CA 3.42Å; F123-C128 HydrophobicContact CD1-CB 3.83Å; F123-C128 HydrophobicContact CE1-CB 3.56Å; F123-C128 HydrophobicContact CG-CB 4.49Å; F123-C128 HydrophobicContact CZ-CB 3.99Å
129	I	97.9	Very high	97.7	Very high	27 Å²	27	36.7 Å²	36.7	14%	0.138	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	-3.4	178.6	66	162.6	0	0	0	113	F85 V122 V124 S127 T135 L138 L144 L147	F85-I129 HydrophobicContact CZ-CD1 4.45Å; V122-I129 HydrophobicContact CB-CD1 4.22Å; V122-I129 HydrophobicContact CB-CG1 3.82Å; V122-I129 HydrophobicContact CG1-CD1 3.72Å; V122-I129 HydrophobicContact CG1-CG1 3.76Å; V122-I129 PolarHBondContact O-N 3.44Å; V124-I129 HydrophobicContact CB-CG2 4.13Å; V124-I129 HydrophobicContact CG2-CD1 3.76Å; V124-I129 HydrophobicContact CG2-CG1 4.26Å; V124-I129 HydrophobicContact CG2-CG2 4.19Å; S127-I129 PolarHBondContact O-N 2.92Å; I129-T135 HydrophobicContact CD1-CG2 4.31Å; I129-L138 HydrophobicContact CB-CD1 3.87Å; I129-L138 HydrophobicContact CD1-CD1 4.03Å; I129-L138 HydrophobicContact CG1-CD1 4.45Å; I129-L138 HydrophobicContact CG2-CD1 4.48Å; I129-L144 HydrophobicContact CD1-CD1 3.66Å; I129-L147 HydrophobicContact CG2-CD1 4.17Å
130	G	97.8	Very high	97.8	Very high	10 Å²	10	42.1 Å²	42.1	10%	0.103	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	113.3	-144.4	178.3	0	0	0	0	0	113.7	V122 D134	V122-G130 PolarHBondContact N-O 2.82Å; G130-D134 WeakPolarHBondContact CA-OD2 3.36Å
131	G	98.1	Very high	97.8	Very high	3 Å²	3	46.4 Å²	46.4	3%	0.031	26%	0.257	C	S	.	.	S	Bend	trans	-105.4	-162.3	-179.7	0	0	0	0	0	114	P120 R121 D134 T135	P120-G131 WeakPolarHBondContact O-CA 3.19Å; R121-G131 VanDerWaalsContact NH2-N 3.13Å; G131-D134 PolarHBondContact N-OD2 2.57Å; G131-D134 PolarHBondContact O-N 3.19Å; G131-T135 WeakPolarHBondContact O-CB 3.28Å; G131-T135 PolarHBondContact O-N 3.02Å; G131-T135 PolarHBondContact O-OG1 3.14Å
132	G	97.6	Very high	97.7	Very high	3 Å²	3	47.8 Å²	47.8	3%	0.031	28%	0.278	C	S	.	.	H	α-helix	trans	-68.1	-40.4	-174.6	0	0	0	0	0	112.5	M80 P120 T135 K136	M80-G132 VanDerWaalsContact CE-C 3.45Å; P120-G132 VanDerWaalsContact CG-N 3.27Å; G132-T135 PolarHBondContact O-N 3.28Å; G132-K136 PolarHBondContact O-N 3.33Å
133	S	98.1	Very high	97.7	Very high	63 Å²	63	53.3 Å²	53.3	44%	0.441	30%	0.302	S	S	.	.	H	α-helix	trans	-64.2	-45.4	175.9	-55.3	0	0	0	0	111.5	T135 K136 Q137	S133-T135 VanDerWaalsContact C-N 3.31Å; S133-T135 PolarHBondContact O-N 2.87Å; S133-K136 PolarHBondContact O-N 2.86Å; S133-Q137 WeakPolarHBondContact O-CB 3.39Å; S133-Q137 PolarHBondContact O-N 3.31Å
134	D	98.3	Very high	97.6	Very high	68 Å²	68	52.6 Å²	52.6	36%	0.364	30%	0.299	S	S	.	.	H	α-helix	trans	-62.1	-41.4	178.5	-50.6	-49	0	0	0	110.9	G130 G131 Q137 L138	G130-D134 WeakPolarHBondContact CA-OD2 3.36Å; G131-D134 PolarHBondContact N-OD2 2.57Å; G131-D134 PolarHBondContact O-N 3.19Å; D134-Q137 PolarHBondContact O-N 3.04Å; D134-L138 WeakPolarHBondContact O-CB 3.4Å; D134-L138 WeakPolarHBondContact O-CG 3.46Å; D134-L138 PolarHBondContact O-N 3.32Å
135	T	98.4	Very high	97.6	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-63	-48.2	177.5	-58.2	0	0	0	0	111.3	V84 F85 V122 I129 G131 G132 S133 Q137 L138 H139 L144	V84-T135 HydrophobicContact CB-CG2 4.3Å; V84-T135 HydrophobicContact CG1-CG2 4.04Å; F85-T135 HydrophobicContact CD2-CG2 4.44Å; F85-T135 HydrophobicContact CE2-CG2 3.66Å; F85-T135 HydrophobicContact CZ-CG2 3.96Å; V122-T135 WeakPolarHBondContact CG2-OG1 3.38Å; I129-T135 HydrophobicContact CD1-CG2 4.31Å; G131-T135 WeakPolarHBondContact O-CB 3.28Å; G131-T135 PolarHBondContact O-N 3.02Å; G131-T135 PolarHBondContact O-OG1 3.14Å; G132-T135 PolarHBondContact O-N 3.28Å; S133-T135 VanDerWaalsContact C-N 3.31Å; S133-T135 PolarHBondContact O-N 2.87Å; T135-Q137 VanDerWaalsContact C-N 3.32Å; T135-Q137 PolarHBondContact O-N 3.21Å; T135-L138 PolarHBondContact O-N 3.24Å; T135-H139 PolarHBondContact O-N 3.44Å; T135-L144 HydrophobicContact CG2-CD2 3.96Å
136	K	98.4	Very high	97.6	Very high	90 Å²	90	56.3 Å²	56.3	39%	0.391	32%	0.322	S	S	.	.	H	α-helix	trans	-60.7	-43.1	176	-178.2	173.8	179.5	177.7	0	111.4	M80 V84 G132 S133 H139 Q140	M80-K136 HydrophobicContact CG-CB 4.47Å; M80-K136 HydrophobicContact CG-CD 4.16Å; M80-K136 HydrophobicContact SD-CB 4.24Å; M80-K136 HydrophobicContact SD-CD 3.57Å; M80-K136 VanDerWaalsContact SD-CD 3.57Å; V84-K136 HydrophobicContact CG2-CB 4.17Å; V84-K136 HydrophobicContact CG2-CG 4.46Å; G132-K136 PolarHBondContact O-N 3.33Å; S133-K136 PolarHBondContact O-N 2.86Å; K136-H139 PolarHBondContact O-N 3.01Å; K136-Q140 VanDerWaalsContact O-CG 3.32Å; K136-Q140 WeakPolarHBondContact O-CG 3.49Å; K136-Q140 PolarHBondContact O-N 3.05Å
137	Q	98.6	Very high	97.6	Very high	102 Å²	102	56.4 Å²	56.4	48%	0.477	31%	0.312	S	S	.	.	H	α-helix	trans	-63	-44.9	178.1	-174.6	-179.5	13.8	0	0	111.7	S133 D134 T135 H139 Q140 Q141	S133-Q137 WeakPolarHBondContact O-CB 3.39Å; S133-Q137 PolarHBondContact O-N 3.31Å; D134-Q137 PolarHBondContact O-N 3.04Å; T135-Q137 VanDerWaalsContact C-N 3.32Å; T135-Q137 PolarHBondContact O-N 3.21Å; Q137-H139 VanDerWaalsContact C-N 3.3Å; Q137-H139 PolarHBondContact O-N 3.41Å; Q137-Q140 PolarHBondContact O-N 3.49Å; Q137-Q141 WeakPolarHBondContact O-CB 3.41Å; Q137-Q141 VanDerWaalsContact O-CG 3.27Å; Q137-Q141 WeakPolarHBondContact O-CG 3.31Å; Q137-Q141 PolarHBondContact O-N 3.23Å
138	L	98.3	Very high	97.6	Very high	38 Å²	38	54 Å²	54	20%	0.199	29%	0.293	C	S	.	.	H	α-helix	trans	-61.5	-38.1	176.5	-76.6	170.3	0	0	0	112.3	I129 D134 T135 Q141 G142 K143 L144	I129-L138 HydrophobicContact CB-CD1 3.87Å; I129-L138 HydrophobicContact CD1-CD1 4.03Å; I129-L138 HydrophobicContact CG1-CD1 4.45Å; I129-L138 HydrophobicContact CG2-CD1 4.48Å; D134-L138 WeakPolarHBondContact O-CB 3.4Å; D134-L138 WeakPolarHBondContact O-CG 3.46Å; D134-L138 PolarHBondContact O-N 3.32Å; T135-L138 PolarHBondContact O-N 3.24Å; L138-Q141 PolarHBondContact O-N 2.87Å; L138-G142 PolarHBondContact O-N 2.88Å; L138-K143 HydrophobicContact CD2-CB 3.99Å; L138-K143 HydrophobicContact CD2-CD 4.34Å; L138-K143 PolarHBondContact O-N 2.9Å; L138-L144 HydrophobicContact CB-CB 4.12Å; L138-L144 PolarHBondContact O-N 3.12Å
139	H	98.3	Very high	97.4	Very high	62 Å²	62	58.2 Å²	58.2	29%	0.287	31%	0.307	S	S	.	.	H	α-helix	trans	-65	-48.6	174.9	179.5	57.8	0	0	0	111.8	V84 I88 T135 K136 Q137 Q141 G142 L144	V84-H139 HydrophobicContact CG1-CB 3.5Å; I88-H139 WeakPolarHBondContact CD1-ND1 3.46Å; T135-H139 PolarHBondContact O-N 3.44Å; K136-H139 PolarHBondContact O-N 3.01Å; Q137-H139 VanDerWaalsContact C-N 3.3Å; Q137-H139 PolarHBondContact O-N 3.41Å; H139-Q141 PolarHBondContact O-N 3.49Å; H139-G142 PolarHBondContact O-N 3.27Å; H139-L144 HydrophobicContact CB-CB 4.32Å; H139-L144 HydrophobicContact CB-CD2 3.98Å
140	Q	98.1	Very high	97.2	Very high	140 Å²	140	64.8 Å²	64.8	65%	0.654	33%	0.33	S	S	*	.	H	α-helix	trans	-60.9	-29.9	177.4	-71.4	176.6	-33.9	0	0	112.9	K136 Q137 G142	K136-Q140 VanDerWaalsContact O-CG 3.32Å; K136-Q140 WeakPolarHBondContact O-CG 3.49Å; K136-Q140 PolarHBondContact O-N 3.05Å; Q137-Q140 PolarHBondContact O-N 3.49Å; Q140-G142 VanDerWaalsContact C-N 3.27Å; Q140-G142 PolarHBondContact O-N 2.94Å
141	Q	98.1	Very high	96.7	Very high	91 Å²	91	65.5 Å²	65.5	43%	0.425	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-1.3	175	-69.7	177.8	12.4	0	0	113.7	Q137 L138 H139 K143	Q137-Q141 WeakPolarHBondContact O-CB 3.41Å; Q137-Q141 VanDerWaalsContact O-CG 3.27Å; Q137-Q141 WeakPolarHBondContact O-CG 3.31Å; Q137-Q141 PolarHBondContact O-N 3.23Å; L138-Q141 PolarHBondContact O-N 2.87Å; H139-Q141 PolarHBondContact O-N 3.49Å; Q141-K143 HydrophobicContact CB-CD 4.11Å; Q141-K143 HydrophobicContact CB-CG 4.05Å; Q141-K143 PolarHBondContact O-N 3.42Å
142	G	97.5	Very high	95.4	Very high	50 Å²	50	69.7 Å²	69.7	52%	0.515	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.9	12.6	-175	0	0	0	0	0	114.2	L138 H139 Q140 P146	L138-G142 PolarHBondContact O-N 2.88Å; H139-G142 PolarHBondContact O-N 3.27Å; Q140-G142 VanDerWaalsContact C-N 3.27Å; Q140-G142 PolarHBondContact O-N 2.94Å; G142-P146 VanDerWaalsContact O-CD 3.32Å; G142-P146 WeakPolarHBondContact O-CD 3.46Å
143	K	97.8	Very high	93.6	Very high	117 Å²	117	75.2 Å²	75.2	51%	0.509	40%	0.398	S	S	.	.			trans	-92	-17.5	-175.9	-67	178.7	-174	164.5	0	113.5	L138 Q141 L147	L138-K143 HydrophobicContact CD2-CB 3.99Å; L138-K143 HydrophobicContact CD2-CD 4.34Å; L138-K143 PolarHBondContact O-N 2.9Å; Q141-K143 HydrophobicContact CB-CD 4.11Å; Q141-K143 HydrophobicContact CB-CG 4.05Å; Q141-K143 PolarHBondContact O-N 3.42Å; K143-L147 WeakPolarHBondContact O-CG 3.42Å
144	L	97.6	Very high	91.5	Very high	0 Å²	0	76.7 Å²	76.7	0%	0	41%	0.407	C	S	.	.	H	α-helix	trans	-73.4	-43.1	-176.8	-172.5	57.2	0	0	0	112.7	V84 F85 I88 V124 I129 T135 L138 H139 L147 I148	V84-L144 HydrophobicContact CG1-CD2 3.61Å; F85-L144 HydrophobicContact CE1-CD1 4.22Å; F85-L144 HydrophobicContact CE1-CD2 4.01Å; F85-L144 HydrophobicContact CE1-CG 4.32Å; F85-L144 HydrophobicContact CZ-CD1 4.32Å; F85-L144 HydrophobicContact CZ-CD2 4.2Å; I88-L144 HydrophobicContact CD1-CD2 3.71Å; I88-L144 HydrophobicContact CD1-CG 4.09Å; V124-L144 HydrophobicContact CG2-CD1 4.26Å; I129-L144 HydrophobicContact CD1-CD1 3.66Å; T135-L144 HydrophobicContact CG2-CD2 3.96Å; L138-L144 HydrophobicContact CB-CB 4.12Å; L138-L144 PolarHBondContact O-N 3.12Å; H139-L144 HydrophobicContact CB-CB 4.32Å; H139-L144 HydrophobicContact CB-CD2 3.98Å; L144-L147 WeakPolarHBondContact O-CB 3.39Å; L144-L147 PolarHBondContact O-N 3.45Å; L144-L147 VanDerWaalsContact O-N 3.13Å; L144-I148 HydrophobicContact CG-CD1 4.21Å; L144-I148 PolarHBondContact O-N 3.28Å
145	L	95.9	Very high	88.9	Confident	78 Å²	78	78.8 Å²	78.8	41%	0.408	43%	0.426	S	S	.	.	H	α-helix	trans	-60.6	-45.8	-178.2	180	65.4	0	0	0	112.8	I88 L147 I148 E149	I88-L145 HydrophobicContact CG2-CD1 3.9Å; L145-L147 PolarHBondContact O-N 2.88Å; L145-L147 VanDerWaalsContact O-N 3.14Å; L145-I148 WeakPolarHBondContact O-CB 3.23Å; L145-I148 PolarHBondContact O-N 3.14Å; L145-E149 HydrophobicContact CD1-CG 4.26Å; L145-E149 HydrophobicContact CG-CG 4.31Å; L145-E149 PolarHBondContact O-N 2.91Å
146	P	95.9	Very high	86.2	Confident	68 Å²	68	84 Å²	84	44%	0.442	46%	0.457	S	S	.	.	H	α-helix	trans	-58.1	-28.2	174.6	-27.3	35	0	0	0	114.8	G142 R150	G142-P146 VanDerWaalsContact O-CD 3.32Å; G142-P146 WeakPolarHBondContact O-CD 3.46Å; P146-R150 PolarHBondContact O-N 3.14Å
147	L	95.6	Very high	83.6	Confident	47 Å²	47	86.1 Å²	86.1	25%	0.246	48%	0.477	C	S	.	.	H	α-helix	trans	-71.9	-36.8	175.7	-63.8	175.5	0	0	0	111.6	V124 I129 K143 L144 L145	V124-L147 HydrophobicContact CG1-CB 3.83Å; I129-L147 HydrophobicContact CG2-CD1 4.17Å; K143-L147 WeakPolarHBondContact O-CG 3.42Å; L144-L147 WeakPolarHBondContact O-CB 3.39Å; L144-L147 PolarHBondContact O-N 3.45Å; L144-L147 VanDerWaalsContact O-N 3.13Å; L145-L147 PolarHBondContact O-N 2.88Å; L145-L147 VanDerWaalsContact O-N 3.14Å
148	I	95.5	Very high	81.3	Confident	26 Å²	26	89.6 Å²	89.6	13%	0.133	49%	0.494	C	S	.	.	H	α-helix	trans	-71.8	-43.5	177.9	-61.7	168.2	0	0	0	110.3	V67 F85 I88 A90 V124 L144 L145 R150 C151	V67-I148 HydrophobicContact CG2-CG1 4.33Å; F85-I148 HydrophobicContact CD1-CD1 3.98Å; F85-I148 HydrophobicContact CE1-CD1 3.88Å; F85-I148 HydrophobicContact CE1-CG1 4.46Å; I88-I148 HydrophobicContact CD1-CD1 4.14Å; I88-I148 HydrophobicContact CG2-CD1 4.23Å; A90-I148 HydrophobicContact CB-CD1 3.99Å; A90-I148 HydrophobicContact CB-CG2 4.31Å; V124-I148 HydrophobicContact CG1-CG1 4.02Å; L144-I148 HydrophobicContact CG-CD1 4.21Å; L144-I148 PolarHBondContact O-N 3.28Å; L145-I148 WeakPolarHBondContact O-CB 3.23Å; L145-I148 PolarHBondContact O-N 3.14Å; I148-R150 PolarHBondContact O-N 3.05Å; I148-C151 WeakPolarHBondContact O-CB 3.41Å; I148-C151 PolarHBondContact O-N 3.3Å; I148-C151 PolarHBondContact O-SG 3.21Å
149	E	93.8	Very high	78.8	Confident	140 Å²	140	90.8 Å²	90.8	65%	0.654	52%	0.515	S	S	*	.	H	α-helix	trans	-62.4	-24.6	178.4	-70.8	176.8	163.7	0	0	113	L145 C151	L145-E149 HydrophobicContact CD1-CG 4.26Å; L145-E149 HydrophobicContact CG-CG 4.31Å; L145-E149 PolarHBondContact O-N 2.91Å; E149-C151 VanDerWaalsContact C-N 3.27Å; E149-C151 PolarHBondContact O-N 3.12Å
150	R	92.9	Very high	76	Confident	164 Å²	164	94 Å²	94	62%	0.619	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-0.6	176.1	-165.3	164	59.1	161	1.5	113.6	N125 P146 I148 S152	N125-R150 PolarHBondContact ND2-O 3.31Å; P146-R150 PolarHBondContact O-N 3.14Å; I148-R150 PolarHBondContact O-N 3.05Å; R150-S152 PolarHBondContact O-N 3Å
151	C	88.9	Confident	73.1	Confident	26 Å²	26	91 Å²	91	18%	0.176	55%	0.551	C	S	.	*			trans	-66.1	104.5	169.5	-71.2	0	0	0	0	109.3	C66 I148 E149	C66-C151 VanDerWaalsContact CA-SG 3.52Å; C66-C151 HydrophobicContact CB-CB 3.53Å; C66-C151 WeakPolarHBondContact CB-SG 3.32Å; C66-C151 WeakPolarHBondContact SG-CB 3.08Å; C66-C151 CovalentContact SG-SG 2.02Å; C66-C151 PolarHBondContact SG-SG 3.33Å; I148-C151 WeakPolarHBondContact O-CB 3.41Å; I148-C151 PolarHBondContact O-N 3.3Å; I148-C151 PolarHBondContact O-SG 3.21Å; E149-C151 VanDerWaalsContact C-N 3.27Å; E149-C151 PolarHBondContact O-N 3.12Å
152	S	68.9	Low	70.2	Confident	90 Å²	90	92.4 Å²	92.4	63%	0.629	57%	0.571	S	S	*	*			trans	-68.1	137	164.7	-61.5	0	0	0	0	108.3	R150 C154	R150-S152 PolarHBondContact O-N 3Å; S152-C154 PolarHBondContact O-N 2.66Å
153	P	60.2	Low	67.4	Low	120 Å²	120	93.7 Å²	93.7	78%	0.779	58%	0.584	S	S	*	*			trans	-61.5	104.8	166.7	23.5	-30	0	0	0	108.2	C155	P153-C155 VanDerWaalsContact C-N 3.33Å; P153-C155 PolarHBondContact O-N 2.81Å
154	C	54.7	Low	64.4	Low	94 Å²	94	96 Å²	96	64%	0.635	60%	0.597	S	S	*	*			trans	-65.8	99.6	165.8	-81.4	0	0	0	0	107	S152	S152-C154 PolarHBondContact O-N 2.66Å
155	C	43.2	Very low	61.9	Low	112 Å²	112	104.9 Å²	104.9	76%	0.757	64%	0.635	S	S	*	*			trans	38.9	90	156.3	-35.9	0	0	0	0	114	P153 T157	P153-C155 VanDerWaalsContact C-N 3.33Å; P153-C155 PolarHBondContact O-N 2.81Å; C155-T157 PolarHBondContact O-N 3.09Å
156	V	41.9	Very low	59.4	Low	110 Å²	110	108 Å²	108	67%	0.667	65%	0.648	S	S	*	*			trans	-56.4	111.2	159.3	-174.1	0	0	0	0	106.5	E158	V156-E158 HydrophobicContact CG1-CG 4.08Å; V156-E158 PolarHBondContact O-N 3.25Å
157	T	43.8	Very low	57	Low	133 Å²	133	109.8 Å²	109.8	82%	0.816	66%	0.659	S	S	*	*			trans	-67.8	90.2	156.3	-51.7	0	0	0	0	105.4	C155 G159	C155-T157 PolarHBondContact O-N 3.09Å; T157-G159 PolarHBondContact O-N 3.44Å; T157-G159 VanDerWaalsContact O-N 3.14Å
158	E	49.8	Very low	55.3	Low	176 Å²	176	112.8 Å²	112.8	82%	0.822	69%	0.685	S	S	*	*			trans	-57.5	112.9	163.2	-72.9	-95.9	113.7	0	0	106.8	V156	V156-E158 HydrophobicContact CG1-CG 4.08Å; V156-E158 PolarHBondContact O-N 3.25Å
159	G	46.4	Very low	53.3	Low	62 Å²	62	124.9 Å²	124.9	64%	0.639	74%	0.736	S	S	*	*			trans	-166.3	79.5	-172.4	0	0	0	0	0	113.9	T157	T157-G159 PolarHBondContact O-N 3.44Å; T157-G159 VanDerWaalsContact O-N 3.14Å
160	S	39.4	Very low	51.3	Low	130 Å²	130	124.2 Å²	124.2	91%	0.909	74%	0.74	S	S	*	*			trans	66	110	146.5	-73.3	0	0	0	0	121
161	G	37.1	Very low	49.1	Very low	77 Å²	77	122.1 Å²	122.1	79%	0.794	75%	0.747	S	S	*	*			trans	-162	61.2	156.9	0	0	0	0	0	111.7	G163	G161-G163 PolarHBondContact O-N 3.32Å
162	S	37.5	Very low	46.9	Very low	121 Å²	121	127.4 Å²	127.4	85%	0.846	78%	0.778	S	S	*	*			trans	-69.5	94.1	166.3	52.9	0	0	0	0	109.4	H164	S162-H164 PolarHBondContact O-N 3.42Å
163	G	37.6	Very low	45.6	Very low	76 Å²	76	129.6 Å²	129.6	78%	0.784	79%	0.787	S	S	*	*			trans	-78.1	97.2	162.5	0	0	0	0	0	109.2	G161 F165	G161-G163 PolarHBondContact O-N 3.32Å; G163-F165 PolarHBondContact O-N 2.88Å
164	H	36.2	Very low	44.7	Very low	167 Å²	167	130.2 Å²	130.2	77%	0.773	79%	0.788	S	S	*	*			trans	-70.5	110	164	-157.7	92.8	0	0	0	107.2	S162 E166	S162-H164 PolarHBondContact O-N 3.42Å; H164-E166 PolarHBondContact O-N 3Å
165	F	43.9	Very low	44	Very low	186 Å²	186	132.6 Å²	132.6	82%	0.816	80%	0.798	S	S	*	*			trans	-87.7	97.9	168.6	-172.3	-97.4	0	0	0	107.2	G163	G163-F165 PolarHBondContact O-N 2.88Å
166	E	44.4	Very low	44.1	Very low	143 Å²	143	134.1 Å²	134.1	67%	0.668	80%	0.801	S	S	*	*			trans	-83.2	121.1	171.2	-155.7	-172.2	113.8	0	0	108.5	H164 S168	H164-E166 PolarHBondContact O-N 3Å; E166-S168 PolarHBondContact O-N 2.82Å
167	P	44.9	Very low	44.2	Very low	105 Å²	105	135.9 Å²	135.9	68%	0.682	81%	0.811	S	S	*	*			trans	-77	111.5	171.9	-5.4	22.3	0	0	0	109.1
168	S	59.5	Low	44.3	Very low	111 Å²	111	136.2 Å²	136.2	78%	0.776	81%	0.811	S	S	*	*			trans	-72.5	134.5	165.6	-76.4	0	0	0	0	110.4	E166	E166-S168 PolarHBondContact O-N 2.82Å
169	K	54.7	Low	43.8	Very low	280 Å²	280	132.5 Å²	132.5	100%	1.217	81%	0.809	S	S	*	*			trans	-42.9	0	177.9	-172.6	178.8	-176.4	-179.5	0	116

Retrieved 169 of 169 residues in 81.3 ms (Link to these results)

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