A0A087WZY0_HUMAN Loading...

Bis(monoacylglycero)phosphate synthase CLN5

Catalyzes the synthesis of bis(monoacylglycero)phosphate (BMP) via transacylation of 2 molecules of lysophosphatidylglycerol (LPG). BMP also known as lysobisphosphatidic acid plays a key role in the formation of intraluminal vesicles and in maintaining intracellular cholesterol homeostasis. Can use only LPG as the exclusive lysophospholipid acyl donor for base exchange and displays BMP synthase activity towards various LPGs (LPG 14:0, LPG 16:0, LPG 18:0, LPG 18:1) with a higher preference for longer chain lengths. Plays a role in influencing the retrograde trafficking of lysosomal sorting receptors SORT1 and IGF2R from the endosomes to the trans-Golgi network by controlling the recruitment of retromer complex to the endosomal membrane. Regulates the localization and activation of RAB7A which is required to recruit the retromer complex to the endosomal membrane. Exhibits palmitoyl protein thioesterase (S-depalmitoylation) activity in vitro and most likely plays a role in protein S-depalmitoylation.

AlphaFold DB , UniProt , Accession A0A087WZY0, Species HUMAN (Homo sapiens, Human), Gene CLN5, Length 191 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	35.5	Very low	32.1	Very low	242 Å²	242	141 Å²	141	100%	1.192	83%	0.833	S	S	*	*				0	91.3	0	-62.6	-131.6	-124.7	0	0	105.9
2	A	30.7	Very low	32.4	Very low	87 Å²	87	145 Å²	145	72%	0.719	84%	0.837	S	S	*	*				89.2	96.6	100.6	0	0	0	0	0	109
3	Q	30.7	Very low	32.1	Very low	190 Å²	190	148.5 Å²	148.5	89%	0.888	84%	0.844	S	S	*	*				77.1	129.6	106.3	-91.2	175.3	-46.1	0	0	111.2
4	E	31.5	Very low	32.2	Very low	192 Å²	192	152.4 Å²	152.4	90%	0.897	84%	0.839	S	S	*	*				-158.3	150.7	79.7	-150.7	167.9	167.1	0	0	113
5	V	35.3	Very low	32.4	Very low	116 Å²	116	157.9 Å²	157.9	70%	0.703	84%	0.842	S	S	*	*			trans	-106.2	141.9	176.2	167.8	0	0	0	0	106.3
6	D	32.3	Very low	32.2	Very low	157 Å²	157	153 Å²	153	84%	0.84	84%	0.841	S	S	*	*			trans	-155	158.2	135.2	-144	-2	0	0	0	114
7	T	32.7	Very low	32.8	Very low	113 Å²	113	150.7 Å²	150.7	69%	0.693	85%	0.846	S	S	*	*			trans	-114.7	170.3	-158.1	-13.1	0	0	0	0	109.8
8	A	32.8	Very low	33	Very low	76 Å²	76	146.3 Å²	146.3	63%	0.628	84%	0.841	S	S	*	*			trans	109.6	123.7	140.9	0	0	0	0	0	119.6
9	Q	31.7	Very low	33.7	Very low	192 Å²	192	144.3 Å²	144.3	90%	0.897	84%	0.843	S	S	*	*			trans	66.7	123.1	133	-64.2	170.1	-7.7	0	0	116.9
10	G	28.8	Very low	34.2	Very low	80 Å²	80	142.1 Å²	142.1	83%	0.825	84%	0.842	S	S	*	*			cis	108	101	44.3	0	0	0	0	0	108.3
11	A	31.3	Very low	34.9	Very low	106 Å²	106	147.7 Å²	147.7	88%	0.876	85%	0.849	S	S	*	*			trans	-158.5	100.6	162.7	0	0	0	0	0	110.2
12	E	35.8	Very low	35.6	Very low	189 Å²	189	138.9 Å²	138.9	88%	0.883	82%	0.82	S	S	*	*			trans	-73.8	128.7	164.4	-171.5	-178.3	178.3	0	0	108.8
13	M	28.6	Very low	36.5	Very low	190 Å²	190	145.6 Å²	145.6	94%	0.936	83%	0.827	S	S	*	*			trans	-137.8	130.2	158.4	-164	153.3	-175.6	0	0	112
14	R	32.8	Very low	37.3	Very low	203 Å²	203	140.1 Å²	140.1	77%	0.766	82%	0.815	S	S	*	*			trans	-69.6	147.2	-170.8	-86.8	169.5	161.7	-179	-3.3	114.9
15	R	35.2	Very low	38.2	Very low	236 Å²	236	135.4 Å²	135.4	89%	0.891	80%	0.803	S	S	*	*			trans	56	119.5	135.8	-72.6	-176.8	170.5	-170.5	-2.5	119.8
16	G	29.2	Very low	38.8	Very low	79 Å²	79	139.2 Å²	139.2	81%	0.814	81%	0.805	S	S	*	*			trans	-151.5	99.7	142.9	0	0	0	0	0	109.7
17	A	42.6	Very low	39.8	Very low	114 Å²	114	136.2 Å²	136.2	94%	0.942	80%	0.795	S	S	*	*			trans	-77.3	122.6	169.8	0	0	0	0	0	108.7
18	G	35.7	Very low	40.7	Very low	72 Å²	72	140 Å²	140	74%	0.742	80%	0.797	S	S	*	*			trans	-151.8	96.6	179.6	0	0	0	0	0	111.3
19	A	47.8	Very low	41.7	Very low	107 Å²	107	138.7 Å²	138.7	88%	0.884	79%	0.786	S	S	*	*			trans	2.2	117	162.7	0	0	0	0	0	118.8
20	A	43.4	Very low	42.8	Very low	100 Å²	100	134.2 Å²	134.2	83%	0.826	77%	0.767	S	S	*	*			trans	-139.3	60.7	159.4	0	0	0	0	0	111.1	G22	A20-G22 VanDerWaalsContact C-N 3.28Å; A20-G22 PolarHBondContact O-N 3.39Å
21	R	47.6	Very low	44.2	Very low	260 Å²	260	133 Å²	133	98%	0.981	75%	0.75	S	S	*	*			trans	-87.8	21.3	178.8	-150.3	175.3	-175.7	168.6	1.2	113.9
22	G	51.3	Low	45.3	Very low	58 Å²	58	133.5 Å²	133.5	60%	0.598	74%	0.737	S	S	*	*	S	Bend	trans	-122.8	-6.2	-168.9	0	0	0	0	0	117.6	A20	A20-G22 VanDerWaalsContact C-N 3.28Å; A20-G22 PolarHBondContact O-N 3.39Å
23	R	49.1	Very low	46	Very low	227 Å²	227	130.2 Å²	130.2	86%	0.857	73%	0.725	S	S	*	*	S	Bend	trans	-103.2	-13.8	-175.8	-86.3	-174.3	-177.7	-147	0.9	115.3
24	A	47	Very low	46.9	Very low	76 Å²	76	131.5 Å²	131.5	63%	0.628	72%	0.719	S	S	*	*	H	α-helix	trans	-79.7	-24.4	-174.5	0	0	0	0	0	113.4
25	S	51.1	Low	47.8	Very low	93 Å²	93	128.3 Å²	128.3	65%	0.65	72%	0.717	S	S	*	*	H	α-helix	trans	-80.2	-25.7	-177.8	56.9	0	0	0	0	113.5
26	W	48.3	Very low	48.6	Very low	196 Å²	196	121 Å²	121	74%	0.742	71%	0.707	S	S	*	*	H	α-helix	trans	-80.9	-31.4	-173.6	-150.5	13.7	0	0	0	113.2	W28 A29 L30	W26-W28 VanDerWaalsContact C-N 3.3Å; W26-W28 PolarHBondContact O-N 2.93Å; W26-A29 PolarHBondContact O-N 2.87Å; W26-L30 PolarHBondContact O-N 3.2Å
27	C	52.8	Low	49.7	Very low	93 Å²	93	122.6 Å²	122.6	63%	0.628	70%	0.701	S	S	*	*	H	α-helix	trans	-68.2	-27.7	176.1	-66.1	0	0	0	0	113.2	A31	C27-A31 PolarHBondContact O-N 3.47Å
28	W	51.3	Low	50.2	Low	193 Å²	193	122.4 Å²	122.4	73%	0.731	69%	0.687	S	S	*	*	H	α-helix	trans	-80.8	-32.3	178.2	-72.6	76.2	0	0	0	112.6	W26 A31 L32	W26-W28 VanDerWaalsContact C-N 3.3Å; W26-W28 PolarHBondContact O-N 2.93Å; W28-A31 PolarHBondContact O-N 2.77Å; W28-L32 WeakPolarHBondContact O-CG 3.24Å; W28-L32 PolarHBondContact O-N 2.89Å; W28-L32 VanDerWaalsContact O-N 3.15Å
29	A	55.2	Low	50.9	Low	48 Å²	48	123.9 Å²	123.9	40%	0.397	68%	0.684	S	S	.	*	H	α-helix	trans	-66.8	-36.5	176	0	0	0	0	0	112.3	W26 L33	W26-A29 PolarHBondContact O-N 2.87Å; A29-L33 PolarHBondContact O-N 3.36Å
30	L	54.8	Low	51	Low	99 Å²	99	122 Å²	122	52%	0.518	68%	0.675	S	S	.	*	H	α-helix	trans	-72.7	-35.9	175.5	-74.2	163.9	0	0	0	112.3	W26 L32 L33 W34	W26-L30 PolarHBondContact O-N 3.2Å; L30-L32 VanDerWaalsContact C-N 3.33Å; L30-L32 PolarHBondContact O-N 3.45Å; L30-L33 PolarHBondContact O-N 2.71Å; L30-W34 PolarHBondContact O-N 2.79Å
31	A	57	Low	50.8	Low	55 Å²	55	129.1 Å²	129.1	46%	0.455	68%	0.681	S	S	.	*	H	α-helix	trans	-65	-34.9	175.8	0	0	0	0	0	112.8	C27 W28	C27-A31 PolarHBondContact O-N 3.47Å; W28-A31 PolarHBondContact O-N 2.77Å
32	L	54.4	Low	51	Low	116 Å²	116	121.8 Å²	121.8	61%	0.607	67%	0.67	S	S	*	*	H	α-helix	trans	-74.8	-29.5	176.8	-71.2	167.6	0	0	0	113	W28 L30 L35	W28-L32 WeakPolarHBondContact O-CG 3.24Å; W28-L32 PolarHBondContact O-N 2.89Å; W28-L32 VanDerWaalsContact O-N 3.15Å; L30-L32 VanDerWaalsContact C-N 3.33Å; L30-L32 PolarHBondContact O-N 3.45Å; L32-L35 PolarHBondContact O-N 3.02Å
33	L	50.8	Low	50.9	Low	119 Å²	119	129.9 Å²	129.9	62%	0.623	68%	0.682	S	S	*	*	H	α-helix	trans	-72	-27.3	175.1	-108.9	126.6	0	0	0	113.1	A29 L30 L35 A36	A29-L33 PolarHBondContact O-N 3.36Å; L30-L33 PolarHBondContact O-N 2.71Å; L33-L35 VanDerWaalsContact C-N 3.33Å; L33-A36 PolarHBondContact O-N 3.49Å
34	W	47.5	Very low	51.1	Low	217 Å²	217	125.3 Å²	125.3	82%	0.822	68%	0.679	S	S	*	*	H	α-helix	trans	-74.4	-20.1	173.3	-87.4	93.6	0	0	0	114	L30	L30-W34 PolarHBondContact O-N 2.79Å
35	L	50.7	Low	51.5	Low	137 Å²	137	126.9 Å²	126.9	72%	0.717	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.2	-14.8	173.8	-74.3	165.2	0	0	0	113.1	L32 L33	L32-L35 PolarHBondContact O-N 3.02Å; L33-L35 VanDerWaalsContact C-N 3.33Å
36	A	53	Low	51.6	Low	82 Å²	82	124.8 Å²	124.8	68%	0.678	68%	0.679	S	S	*	*	S	Bend	trans	-93.4	-7.1	-176.9	0	0	0	0	0	114.4	L33	L33-A36 PolarHBondContact O-N 3.49Å
37	V	52.2	Low	52	Low	113 Å²	113	122.7 Å²	122.7	69%	0.685	68%	0.68	S	S	*	*			trans	-121.4	57.4	179.3	-165.9	0	0	0	0	109.8
38	V	54.3	Low	52.3	Low	109 Å²	109	123.7 Å²	123.7	66%	0.661	69%	0.686	S	S	*	*			trans	-87.7	110.2	152.4	-173	0	0	0	0	104.7	G40	V38-G40 PolarHBondContact O-N 2.67Å
39	P	50	Low	52.9	Low	104 Å²	104	118.4 Å²	118.4	68%	0.675	68%	0.678	S	S	*	*			trans	-57.6	120.5	171.9	25.2	-29.6	0	0	0	105.7	W41	P39-W41 PolarHBondContact O-N 3.04Å
40	G	49.3	Very low	53.5	Low	68 Å²	68	126.4 Å²	126.4	70%	0.701	70%	0.698	S	S	*	*			trans	-47	109.7	-176	0	0	0	0	0	109	V38 S42	V38-G40 PolarHBondContact O-N 2.67Å; G40-S42 PolarHBondContact O-N 3.05Å
41	W	39.8	Very low	54.6	Low	248 Å²	248	131.4 Å²	131.4	94%	0.939	71%	0.71	S	S	*	*			trans	-57	102.8	154.1	-84.5	-13.7	0	0	0	104.4	P39 R43	P39-W41 PolarHBondContact O-N 3.04Å; W41-R43 VanDerWaalsContact C-N 3.29Å; W41-R43 PolarHBondContact O-N 3.01Å
42	S	50.2	Low	55.9	Low	107 Å²	107	135.4 Å²	135.4	75%	0.748	72%	0.719	S	S	*	*			trans	-42.9	106.8	162.3	-60.5	0	0	0	0	105.1	G40 V44	G40-S42 PolarHBondContact O-N 3.05Å; S42-V44 PolarHBondContact O-N 2.86Å
43	R	50.4	Low	57.5	Low	228 Å²	228	140.4 Å²	140.4	86%	0.86	73%	0.73	S	S	*	*			trans	-58.4	100.1	162.7	-73.2	-177.3	-178.8	173.2	0.6	102.5	W41 S45	W41-R43 VanDerWaalsContact C-N 3.29Å; W41-R43 PolarHBondContact O-N 3.01Å; R43-S45 PolarHBondContact O-N 2.52Å; R43-S45 PolarHBondContact O-OG 3.06Å
44	V	52.3	Low	59.5	Low	131 Å²	131	139.3 Å²	139.3	79%	0.794	73%	0.73	S	S	*	*			trans	-59.5	93.8	159.3	171.1	0	0	0	0	102.2	S42 G46	S42-V44 PolarHBondContact O-N 2.86Å; V44-G46 PolarHBondContact O-N 3.1Å
45	S	55.8	Low	61.8	Low	109 Å²	109	133.3 Å²	133.3	76%	0.762	72%	0.717	S	S	*	*			trans	-66.6	60.9	161.3	-52.8	0	0	0	0	106	R43 I47	R43-S45 PolarHBondContact O-N 2.52Å; R43-S45 PolarHBondContact O-OG 3.06Å; S45-I47 VanDerWaalsContact C-N 3.28Å; S45-I47 PolarHBondContact O-N 3.17Å
46	G	53.4	Low	63.9	Low	49 Å²	49	132 Å²	132	51%	0.505	72%	0.717	S	S	.	*			trans	-62.7	104.6	161.7	0	0	0	0	0	103.5	V44	V44-G46 PolarHBondContact O-N 3.1Å
47	I	58	Low	65.9	Low	151 Å²	151	137.5 Å²	137.5	77%	0.774	72%	0.721	S	S	*	*			trans	-39.7	120.7	160.2	-62.9	166.6	0	0	0	104.5	S45 S49	S45-I47 VanDerWaalsContact C-N 3.28Å; S45-I47 PolarHBondContact O-N 3.17Å; I47-S49 PolarHBondContact O-N 3.46Å
48	P	57.3	Low	68	Low	115 Å²	115	139.5 Å²	139.5	75%	0.747	72%	0.721	S	S	*	*			trans	-60.9	103.1	175.9	-4.8	15.3	0	0	0	104.1	R50	P48-R50 PolarHBondContact O-N 3.07Å
49	S	63.9	Low	70.1	Confident	81 Å²	81	144.7 Å²	144.7	57%	0.566	73%	0.728	S	S	*	*			trans	-57.9	107.1	166.7	68.3	0	0	0	0	102.4	I47 R51	I47-S49 PolarHBondContact O-N 3.46Å; S49-R51 PolarHBondContact O-N 2.87Å
50	R	69	Low	72.4	Confident	217 Å²	217	146.9 Å²	146.9	82%	0.819	73%	0.728	S	S	*	*			trans	-67.5	79.5	178.5	-137.1	-178.4	-175.9	-171.6	0.6	104.5	P48 H52	P48-R50 PolarHBondContact O-N 3.07Å; R50-H52 PolarHBondContact O-CE1 2.85Å; R50-H52 PolarHBondContact O-N 2.83Å; R50-H52 PolarHBondContact O-ND1 3.05Å
51	R	76.8	Confident	74.7	Confident	203 Å²	203	152 Å²	152	77%	0.766	74%	0.739	S	S	*	*			trans	-67.4	108	174.6	-72.8	-174	-178.1	-170.3	-0.9	103.9	S49 W53	S49-R51 PolarHBondContact O-N 2.87Å; R51-W53 PolarHBondContact O-N 2.93Å
52	H	84.9	Confident	77.4	Confident	139 Å²	139	147.5 Å²	147.5	64%	0.644	73%	0.726	S	S	*	*	P	Polyproline II helix	trans	-69.2	131.7	176.7	-66.5	78.7	0	0	0	107	R50 P54	R50-H52 PolarHBondContact O-CE1 2.85Å; R50-H52 PolarHBondContact O-N 2.83Å; R50-H52 PolarHBondContact O-ND1 3.05Å; H52-P54 CarbonylContact O-C 3.43Å; H52-P54 VanDerWaalsContact O-C 3.29Å; H52-P54 VanDerWaalsContact O-O 3.13Å
53	W	89	Confident	79.7	Confident	221 Å²	221	149.7 Å²	149.7	84%	0.837	72%	0.718	S	S	*	*	S	Bend	trans	-91.9	131	172.9	-174.9	-124.5	0	0	0	107.7	R51 V55	R51-W53 PolarHBondContact O-N 2.93Å; W53-V55 HydrophobicContact CE3-CG2 4.12Å; W53-V55 HydrophobicContact CZ3-CB 4.2Å; W53-V55 HydrophobicContact CZ3-CG2 4.18Å
54	P	91.8	Very high	82	Confident	96 Å²	96	142.1 Å²	142.1	62%	0.623	70%	0.698	S	S	*	*	S	Bend	cis	-73.6	144.2	2.1	30.2	-34	0	0	0	115.2	H52 P56	H52-P54 CarbonylContact O-C 3.43Å; H52-P54 VanDerWaalsContact O-C 3.29Å; H52-P54 VanDerWaalsContact O-O 3.13Å; P54-P56 WeakPolarHBondContact O-CD 3.34Å
55	V	94.8	Very high	84.2	Confident	91 Å²	91	145.2 Å²	145.2	55%	0.552	70%	0.701	S	S	*	*	P	Polyproline II helix	trans	-65.7	120	167.9	178	0	0	0	0	107.4	W53	W53-V55 HydrophobicContact CE3-CG2 4.12Å; W53-V55 HydrophobicContact CZ3-CB 4.2Å; W53-V55 HydrophobicContact CZ3-CG2 4.18Å
56	P	95	Very high	86.2	Confident	110 Å²	110	142.7 Å²	142.7	71%	0.714	68%	0.682	S	S	*	*	P	Polyproline II helix	trans	-68	143.9	-175.3	26.8	-34.1	0	0	0	111.5	P54 K58	P54-P56 WeakPolarHBondContact O-CD 3.34Å; P56-K58 PolarHBondContact O-N 3.47Å
57	Y	95.8	Very high	88.4	Confident	198 Å²	198	143.8 Å²	143.8	78%	0.776	68%	0.677	S	S	*	*	P	Polyproline II helix	trans	-67.2	121.2	174.4	-176.3	-92.3	0	0	0	110.3	R59	Y57-R59 HydrophobicContact CD1-CG 4.34Å
58	K	97.3	Very high	90.3	Very high	155 Å²	155	141.6 Å²	141.6	67%	0.674	67%	0.672	S	S	*	*	P	Polyproline II helix	trans	-73.8	128.7	178.5	-178.7	176.1	178.3	-179.9	0	110.4	P56	P56-K58 PolarHBondContact O-N 3.47Å
59	R	97.8	Very high	92.2	Very high	217 Å²	217	140.6 Å²	140.6	82%	0.819	65%	0.654	S	S	*	*	P	Polyproline II helix	trans	-98.8	166.1	172.7	-59.8	-171.7	121.3	-171.2	0.5	111.5	Y57	Y57-R59 HydrophobicContact CD1-CG 4.34Å
60	F	97.1	Very high	93.9	Very high	150 Å²	150	137.3 Å²	137.3	66%	0.658	63%	0.631	S	S	*	*			trans	-129.6	154.1	178	-62.5	-97.2	0	0	0	109.2	F62	F60-F62 VanDerWaalsContact C-N 3.26Å; F60-F62 PolarHBondContact O-N 2.81Å
61	D	98.1	Very high	95.3	Very high	176 Å²	176	133.8 Å²	133.8	94%	0.941	62%	0.624	S	S	*	*	S	Bend	trans	-75.6	-16.9	-177	-55.2	-31	0	0	0	112.9
62	F	97.8	Very high	96.2	Very high	153 Å²	153	126 Å²	126	67%	0.671	60%	0.603	S	S	*	*	S	Bend	trans	-150.9	158.6	176.6	70.2	-82.4	0	0	0	111.8	F60 P64	F60-F62 VanDerWaalsContact C-N 3.26Å; F60-F62 PolarHBondContact O-N 2.81Å; F62-P64 HydrophobicContact CE2-CB 4.23Å
63	R	97.9	Very high	96.7	Very high	153 Å²	153	129.1 Å²	129.1	58%	0.577	62%	0.615	S	S	*	*	P	Polyproline II helix	trans	-88.6	118.1	170.5	177.9	-179.7	-73.2	155.7	-1.2	109.6	G162 A163	R63-G162 PolarHBondContact NH2-O 3.27Å; R63-G162 VanDerWaalsContact NH2-O 3.16Å; R63-A163 VanDerWaalsContact CZ-CB 3.43Å; R63-A163 VanDerWaalsContact NH1-CB 3.33Å; R63-A163 VanDerWaalsContact NH2-CA 3.29Å
64	P	98.2	Very high	97	Very high	69 Å²	69	125.4 Å²	125.4	45%	0.448	60%	0.601	S	S	.	*	P	Polyproline II helix	trans	-69.2	149	173.3	28.8	-33.4	0	0	0	110.9	F62 Q161	F62-P64 HydrophobicContact CE2-CB 4.23Å; P64-Q161 PolarHBondContact O-NE2 3.48Å; P64-Q161 PolarHBondContact O-OE1 3.35Å
65	K	98.4	Very high	97.3	Very high	197 Å²	197	126 Å²	126	86%	0.857	60%	0.604	S	S	*	*	P	Polyproline II helix	trans	-59.6	140.4	170.8	-69.8	-174.8	179	-179	0	109.6
66	P	98.4	Very high	97.4	Very high	56 Å²	56	124.1 Å²	124.1	36%	0.364	59%	0.588	S	S	.	*	P	Polyproline II helix	trans	-60.3	142.8	174	-22.4	33	0	0	0	111.9	L138 F139	P66-L138 HydrophobicContact CG-CD2 3.88Å; P66-F139 HydrophobicContact CB-CE2 3.99Å; P66-F139 HydrophobicContact CB-CZ 3.58Å; P66-F139 HydrophobicContact CG-CE2 4.4Å; P66-F139 HydrophobicContact CG-CZ 4.04Å
67	D	98.4	Very high	97.6	Very high	72 Å²	72	120 Å²	120	39%	0.385	56%	0.562	S	S	.	*	P	Polyproline II helix	trans	-66.1	140.9	174.5	-170.6	-74	0	0	0	110.2	Y69 C70 F157	D67-Y69 PolarHBondContact O-N 2.7Å; D67-Y69 VanDerWaalsContact O-N 3.08Å; D67-Y69 WeakPolarHBondContact OD1-CB 3.41Å; D67-Y69 PolarHBondContact OD1-N 2.58Å; D67-C70 WeakPolarHBondContact O-CB 3.34Å; D67-C70 PolarHBondContact O-N 3.49Å; D67-F157 HydrophobicContact CB-CE1 4.45Å; D67-F157 HydrophobicContact CB-CZ 3.72Å
68	P	98.3	Very high	97.7	Very high	105 Å²	105	115.2 Å²	115.2	68%	0.682	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.8	-24.7	178	-26.9	35.5	0	0	0	114.9	C70 Q71	P68-C70 PolarHBondContact O-N 2.74Å; P68-Q71 PolarHBondContact O-NE2 3.33Å
69	Y	98.3	Very high	97.7	Very high	94 Å²	94	112.5 Å²	112.5	37%	0.369	55%	0.551	S	S	.	*	T	Hydrogen-bonded Turn	trans	-59.8	-34.7	172.1	179.7	-93.1	0	0	0	112.3	D67 Q71 H148 R150 F157	D67-Y69 PolarHBondContact O-N 2.7Å; D67-Y69 VanDerWaalsContact O-N 3.08Å; D67-Y69 WeakPolarHBondContact OD1-CB 3.41Å; D67-Y69 PolarHBondContact OD1-N 2.58Å; Y69-Q71 PolarHBondContact O-N 2.97Å; Y69-Q71 VanDerWaalsContact O-N 3.17Å; Y69-H148 HydrophobicContact CE1-CB 3.92Å; Y69-H148 AromaticContact CE1-CG 3.74Å; Y69-H148 WeakPolarHBondContact OH-CB 3.31Å; Y69-H148 PolarHBondContact OH-ND1 3.32Å; Y69-R150 HydrophobicContact CE2-CG 4.17Å; Y69-F157 AromaticContact CD1-CD1 3.59Å; Y69-F157 HydrophobicContact CD1-CD1 3.59Å; Y69-F157 AromaticContact CD1-CE1 3.51Å; Y69-F157 HydrophobicContact CD1-CE1 3.51Å; Y69-F157 AromaticContact CE1-CD1 3.9Å; Y69-F157 HydrophobicContact CE1-CD1 3.9Å; Y69-F157 HydrophobicContact CE1-CE1 4.28Å; Y69-F157 HydrophobicContact CG-CD1 4.4Å; Y69-F157 HydrophobicContact CG-CE1 4.15Å
70	C	98.4	Very high	97.7	Very high	11 Å²	11	104.2 Å²	104.2	7%	0.074	53%	0.533	C	S	.	.			trans	-79	100.9	-179.9	-57.6	0	0	0	0	110.5	D67 P68 F139 C159	D67-C70 WeakPolarHBondContact O-CB 3.34Å; D67-C70 PolarHBondContact O-N 3.49Å; P68-C70 PolarHBondContact O-N 2.74Å; C70-F139 HydrophobicContact CB-CD1 4.07Å; C70-F139 HydrophobicContact CB-CD2 3.98Å; C70-F139 HydrophobicContact CB-CE1 3.75Å; C70-F139 HydrophobicContact CB-CE2 3.64Å; C70-F139 HydrophobicContact CB-CG 4.19Å; C70-F139 HydrophobicContact CB-CZ 3.52Å; C70-F139 WeakPolarHBondContact O-CE1 3.48Å; C70-C159 WeakPolarHBondContact CA-SG 3.12Å; C70-C159 HydrophobicContact CB-CB 3.8Å; C70-C159 WeakPolarHBondContact CB-SG 3.31Å; C70-C159 VanDerWaalsContact SG-CA 3.55Å; C70-C159 WeakPolarHBondContact SG-CB 3.25Å; C70-C159 CovalentContact SG-SG 2.04Å; C70-C159 PolarHBondContact SG-SG 2.75Å
71	Q	98.1	Very high	97.7	Very high	144 Å²	144	99 Å²	99	67%	0.673	52%	0.516	S	S	*	.			trans	-116.4	130.4	177.4	-62.9	-64	-50.2	0	0	110.5	P68 Y69	P68-Q71 PolarHBondContact O-NE2 3.33Å; Y69-Q71 PolarHBondContact O-N 2.97Å; Y69-Q71 VanDerWaalsContact O-N 3.17Å
72	A	97.1	Very high	97.7	Very high	40 Å²	40	96.3 Å²	96.3	33%	0.331	51%	0.508	S	S	.	.			trans	-90.1	137.9	177.1	0	0	0	0	0	110.4	Y74 L138 F139	A72-Y74 VanDerWaalsContact CB-O 3.24Å; A72-Y74 WeakPolarHBondContact CB-O 3.24Å; A72-L138 WeakPolarHBondContact CB-O 3.01Å; A72-F139 HydrophobicContact CB-CD1 3.95Å; A72-F139 HydrophobicContact CB-CE1 4.45Å
73	K	95.3	Very high	97.7	Very high	204 Å²	204	94.7 Å²	94.7	89%	0.887	51%	0.505	S	S	*	.	S	Bend	trans	-72.6	-35.7	169.4	-75.5	-174.5	175.5	-179	0	112.2
74	Y	94.8	Very high	97.6	Very high	142 Å²	142	89.5 Å²	89.5	56%	0.557	49%	0.491	S	S	*	.	S	Bend	trans	-114.8	125.9	173.8	-62.1	-78.3	0	0	0	107.7	A72 F76 F104	A72-Y74 VanDerWaalsContact CB-O 3.24Å; A72-Y74 WeakPolarHBondContact CB-O 3.24Å; Y74-F76 PolarHBondContact O-N 2.82Å; Y74-F104 AromaticContact CE2-CE2 3.9Å; Y74-F104 HydrophobicContact CE2-CE2 3.9Å; Y74-F104 HydrophobicContact CE2-CZ 4.16Å; Y74-F104 AromaticContact CZ-CE2 3.97Å
75	T	97.3	Very high	97.6	Very high	110 Å²	110	93.2 Å²	93.2	68%	0.675	51%	0.512	S	S	*	.			trans	-59.5	131	-178.9	-55.4	0	0	0	0	110.4
76	F	98.3	Very high	97.5	Very high	51 Å²	51	86 Å²	86	22%	0.224	48%	0.482	C	S	.	.	S	Bend	trans	-64.9	131	171.6	172.2	-96	0	0	0	110.6	Y74 Y136 L138 A163 C165	Y74-F76 PolarHBondContact O-N 2.82Å; F76-Y136 AromaticContact CD2-CD2 3.94Å; F76-Y136 HydrophobicContact CD2-CD2 3.94Å; F76-Y136 HydrophobicContact CD2-CE1 4.25Å; F76-Y136 AromaticContact CD2-CE2 3.43Å; F76-Y136 HydrophobicContact CD2-CE2 3.43Å; F76-Y136 VanDerWaalsContact CD2-CE2 3.43Å; F76-Y136 AromaticContact CD2-CZ 3.65Å; F76-Y136 HydrophobicContact CE2-CD1 4.07Å; F76-Y136 HydrophobicContact CE2-CD2 4.02Å; F76-Y136 AromaticContact CE2-CE1 3.76Å; F76-Y136 HydrophobicContact CE2-CE1 3.76Å; F76-Y136 AromaticContact CE2-CE2 3.75Å; F76-Y136 HydrophobicContact CE2-CE2 3.75Å; F76-Y136 HydrophobicContact CE2-CG 4.2Å; F76-Y136 AromaticContact CE2-CZ 3.65Å; F76-Y136 HydrophobicContact CG-CE2 4.48Å; F76-Y136 HydrophobicContact CZ-CE1 4.5Å; F76-L138 HydrophobicContact CB-CG 4.38Å; F76-L138 HydrophobicContact CD1-CD1 4.41Å; F76-L138 HydrophobicContact CD1-CG 4.26Å; F76-L138 HydrophobicContact CD2-CD1 4.11Å; F76-L138 HydrophobicContact CD2-CG 4.25Å; F76-L138 HydrophobicContact CE1-CD1 4.43Å; F76-L138 HydrophobicContact CE2-CD1 4.14Å; F76-L138 HydrophobicContact CG-CD1 4.27Å; F76-L138 HydrophobicContact CG-CG 4.01Å; F76-L138 HydrophobicContact CZ-CD1 4.32Å; F76-A163 HydrophobicContact CE1-CB 3.96Å; F76-A163 HydrophobicContact CE2-CB 4.24Å; F76-A163 HydrophobicContact CZ-CB 3.53Å; F76-C165 HydrophobicContact CZ-CB 4.15Å
77	C	98.1	Very high	97.4	Very high	23 Å²	23	89.6 Å²	89.6	16%	0.155	49%	0.494	C	S	.	.	S	Bend	trans	50	57.9	173.6	-162.6	0	0	0	0	114	T79 G80 Y136 C165	C77-T79 VanDerWaalsContact C-N 3.27Å; C77-T79 PolarHBondContact O-N 2.99Å; C77-G80 PolarHBondContact O-N 2.86Å; C77-G80 VanDerWaalsContact O-N 3.15Å; C77-G80 WeakPolarHBondContact SG-CA 3.39Å; C77-Y136 WeakPolarHBondContact CA-OH 3.4Å; C77-Y136 PolarHBondContact N-OH 3.24Å; C77-C165 WeakPolarHBondContact CA-SG 3.33Å; C77-C165 HydrophobicContact CB-CB 3.66Å; C77-C165 WeakPolarHBondContact CB-SG 3.28Å; C77-C165 WeakPolarHBondContact SG-CA 3.48Å; C77-C165 WeakPolarHBondContact SG-CB 3.48Å; C77-C165 CovalentContact SG-SG 2.02Å; C77-C165 PolarHBondContact SG-SG 2.98Å
78	P	97.9	Very high	97.3	Very high	98 Å²	98	88.1 Å²	88.1	64%	0.636	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-27.6	-168.8	27.8	-35.4	0	0	0	113.8
79	T	97.9	Very high	97.2	Very high	97 Å²	97	89.4 Å²	89.4	60%	0.595	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108	16.8	179.7	52.4	0	0	0	0	112.6	C77 S81 F167	C77-T79 VanDerWaalsContact C-N 3.27Å; C77-T79 PolarHBondContact O-N 2.99Å; T79-S81 PolarHBondContact O-N 2.85Å; T79-F167 VanDerWaalsContact O-CB 3.28Å; T79-F167 WeakPolarHBondContact O-CB 3.37Å
80	G	97.7	Very high	97.3	Very high	43 Å²	43	85 Å²	85	44%	0.443	48%	0.48	S	S	.	.			trans	-55.7	131.3	-177.4	0	0	0	0	0	112.8	C77 F166	C77-G80 PolarHBondContact O-N 2.86Å; C77-G80 VanDerWaalsContact O-N 3.15Å; C77-G80 WeakPolarHBondContact SG-CA 3.39Å; G80-F166 CarbonylContact C-O 3.55Å; G80-F166 WeakPolarHBondContact CA-O 3.35Å
81	S	96.6	Very high	97.3	Very high	42 Å²	42	88.9 Å²	88.9	29%	0.294	50%	0.5	S	S	.	.			trans	-121.6	155.7	175.3	62.3	0	0	0	0	111.1	T79 F166	T79-S81 PolarHBondContact O-N 2.85Å; S81-F166 PolarHBondContact N-O 3.12Å
82	P	97.8	Very high	97.3	Very high	118 Å²	118	82.3 Å²	82.3	77%	0.766	47%	0.469	S	S	*	.	P	Polyproline II helix	trans	-59.4	143.1	170.2	-20.9	32.8	0	0	0	110.8	P84	P82-P84 WeakPolarHBondContact O-CD 3.3Å
83	I	98.1	Very high	97.4	Very high	119 Å²	119	81.8 Å²	81.8	61%	0.61	46%	0.46	S	S	*	.	P	Polyproline II helix	trans	-65.6	121.4	173.2	-56.3	177.5	0	0	0	108.2	F166	I83-F166 HydrophobicContact CB-CD1 4.48Å; I83-F166 HydrophobicContact CD1-CD2 4.49Å; I83-F166 HydrophobicContact CG1-CB 4.04Å; I83-F166 HydrophobicContact CG1-CD1 3.94Å; I83-F166 HydrophobicContact CG1-CD2 3.99Å; I83-F166 HydrophobicContact CG1-CE1 4.41Å; I83-F166 HydrophobicContact CG1-CE2 4.44Å; I83-F166 HydrophobicContact CG1-CG 3.72Å; I83-F166 HydrophobicContact CG2-CE2 4.44Å; I83-F166 HydrophobicContact CG2-CZ 4.35Å
84	P	97.1	Very high	97.5	Very high	45 Å²	45	72.9 Å²	72.9	29%	0.292	42%	0.423	S	S	.	.	P	Polyproline II helix	trans	-73.4	156.8	178.4	31.9	-35.4	0	0	0	111.1	P82 M86 Y131	P82-P84 WeakPolarHBondContact O-CD 3.3Å; P84-M86 HydrophobicContact CG-CE 3.72Å; P84-M86 HydrophobicContact CG-SD 4.33Å; P84-Y131 HydrophobicContact CG-CE1 4.12Å; P84-Y131 HydrophobicContact CG-CE2 4.44Å
85	V	96.8	Very high	97.7	Very high	146 Å²	146	66.9 Å²	66.9	89%	0.885	40%	0.399	S	S	*	.	P	Polyproline II helix	trans	-83.6	126.3	169	-179.4	0	0	0	0	108
86	M	96.9	Very high	97.8	Very high	45 Å²	45	67.1 Å²	67.1	22%	0.222	39%	0.388	C	S	.	.	P	Polyproline II helix	trans	-90.9	151.4	177.4	-57.9	-56.5	-174.6	0	0	110.9	P84 I92 Y131	P84-M86 HydrophobicContact CG-CE 3.72Å; P84-M86 HydrophobicContact CG-SD 4.33Å; M86-I92 HydrophobicContact CB-CD1 4.46Å; M86-I92 HydrophobicContact CG-CD1 4.16Å; M86-I92 HydrophobicContact SD-CD1 4.38Å; M86-Y131 HydrophobicContact CE-CD2 4.12Å; M86-Y131 HydrophobicContact CE-CE2 3.72Å
87	E	96.8	Very high	97.8	Very high	132 Å²	132	64.7 Å²	64.7	62%	0.617	38%	0.377	S	S	*	.	P	Polyproline II helix	trans	-66.7	140.4	170.4	-70.9	-61.2	158.1	0	0	110.1	D89 D90 L126 G189	E87-D89 PolarHBondContact O-N 2.93Å; E87-D90 HydrophobicContact CB-CB 4.46Å; E87-D90 VanDerWaalsContact O-CB 3.31Å; E87-D90 WeakPolarHBondContact O-CB 3.22Å; E87-D90 PolarHBondContact O-N 2.81Å; E87-D90 VanDerWaalsContact O-N 3.1Å; E87-L126 HydrophobicContact CB-CD1 4Å; E87-G189 WeakPolarHBondContact O-CA 3.38Å
88	G	96.7	Very high	97.8	Very high	41 Å²	41	65.2 Å²	65.2	42%	0.423	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-24.2	-168.5	0	0	0	0	0	114.7
89	D	96.5	Very high	97.8	Very high	132 Å²	132	60.6 Å²	60.6	71%	0.706	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.2	6.9	178.2	63.4	-20.4	0	0	0	113.5	E87	E87-D89 PolarHBondContact O-N 2.93Å
90	D	98.3	Very high	97.7	Very high	2 Å²	2	56.1 Å²	56.1	1%	0.011	32%	0.32	C	S	.	.			trans	-66.9	139.6	170.5	-162	-6.2	0	0	0	110.5	E87 I92 S124 T125 L126 S188 G189	E87-D90 HydrophobicContact CB-CB 4.46Å; E87-D90 VanDerWaalsContact O-CB 3.31Å; E87-D90 WeakPolarHBondContact O-CB 3.22Å; E87-D90 PolarHBondContact O-N 2.81Å; E87-D90 VanDerWaalsContact O-N 3.1Å; D90-I92 HydrophobicContact CB-CD1 3.93Å; D90-I92 VanDerWaalsContact CG-CD1 3.44Å; D90-I92 VanDerWaalsContact OD2-CD1 3.25Å; D90-I92 WeakPolarHBondContact OD2-CD1 3.44Å; D90-S124 VanDerWaalsContact OD2-CB 3.24Å; D90-S124 WeakPolarHBondContact OD2-CB 3.43Å; D90-S124 PolarHBondContact OD2-OG 3.13Å; D90-T125 PolarHBondContact OD1-N 2.82Å; D90-T125 VanDerWaalsContact OD1-N 3.17Å; D90-T125 PolarHBondContact OD1-OG1 2.8Å; D90-T125 VanDerWaalsContact OD1-OG1 3.06Å; D90-L126 HydrophobicContact CB-CD1 3.65Å; D90-L126 HydrophobicContact CB-CG 4.02Å; D90-L126 WeakPolarHBondContact OD1-CG 3.45Å; D90-L126 PolarHBondContact OD1-N 2.96Å; D90-S188 CarbonylContact O-C 3.4Å; D90-S188 VanDerWaalsContact O-CA 3.24Å; D90-S188 WeakPolarHBondContact O-CA 3.19Å; D90-G189 PolarHBondContact O-N 3.08Å
91	D	98.4	Very high	97.6	Very high	93 Å²	93	55.2 Å²	55.2	50%	0.497	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	116.4	165.4	-75.6	-40.7	0	0	0	108.7	T125 T186	D91-T125 HydrophobicContact CB-CG2 4.11Å; D91-T125 PolarHBondContact N-OG1 3.11Å; D91-T125 WeakPolarHBondContact O-CB 3.48Å; D91-T125 WeakPolarHBondContact O-CG2 3.24Å; D91-T125 PolarHBondContact O-N 3.24Å; D91-T125 PolarHBondContact O-OG1 3.48Å; D91-T186 HydrophobicContact CB-CG2 3.96Å
92	I	98.8	Very high	97.3	Very high	6 Å²	6	57.4 Å²	57.4	3%	0.031	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	113.3	178.4	-47.1	-60.6	0	0	0	109.1	M86 D90 F122 R123 T186 I187	M86-I92 HydrophobicContact CB-CD1 4.46Å; M86-I92 HydrophobicContact CG-CD1 4.16Å; M86-I92 HydrophobicContact SD-CD1 4.38Å; D90-I92 HydrophobicContact CB-CD1 3.93Å; D90-I92 VanDerWaalsContact CG-CD1 3.44Å; D90-I92 VanDerWaalsContact OD2-CD1 3.25Å; D90-I92 WeakPolarHBondContact OD2-CD1 3.44Å; I92-F122 HydrophobicContact CG2-CB 4.03Å; I92-F122 HydrophobicContact CG2-CD1 4.07Å; I92-R123 CarbonylContact C-O 3.57Å; I92-R123 WeakPolarHBondContact CA-O 3.4Å; I92-T186 CarbonylContact O-C 3.56Å; I92-T186 WeakPolarHBondContact O-CA 3.45Å; I92-I187 HydrophobicContact CB-CG1 3.83Å; I92-I187 HydrophobicContact CG1-CG1 4.5Å; I92-I187 HydrophobicContact CG2-CG1 4.42Å; I92-I187 PolarHBondContact N-O 2.88Å; I92-I187 PolarHBondContact O-N 3.39Å
93	E	98.8	Very high	96.9	Very high	28 Å²	28	53.7 Å²	53.7	13%	0.131	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	132.9	171.5	-59.3	177.2	-149.4	0	0	110.2	F95 F122 R123 Q183	E93-F95 HydrophobicContact CB-CE2 3.72Å; E93-F95 HydrophobicContact CB-CZ 3.99Å; E93-F95 VanDerWaalsContact OE2-CZ 3.23Å; E93-F95 WeakPolarHBondContact OE2-CZ 3.15Å; E93-F122 CarbonylContact O-C 3.29Å; E93-F122 VanDerWaalsContact O-CA 3.3Å; E93-F122 WeakPolarHBondContact O-CA 3.3Å; E93-R123 HydrophobicContact CB-CB 4.32Å; E93-R123 VanDerWaalsContact CD-CZ 3.48Å; E93-R123 PolarHBondContact N-O 3.22Å; E93-R123 PolarHBondContact O-N 2.73Å; E93-R123 IonicContact OE1-CZ 3.69Å; E93-R123 IonicContact OE1-NE 2.73Å; E93-R123 PolarHBondContact OE1-NE 3.02Å; E93-R123 IonicContact OE1-NH2 3.35Å; E93-R123 PolarHBondContact OE1-NH2 3.1Å; E93-R123 IonicContact OE2-CZ 3.63Å; E93-R123 IonicContact OE2-NE 3.72Å; E93-R123 PolarHBondContact OE2-NE 2.93Å; E93-R123 IonicContact OE2-NH1 3.91Å; E93-R123 IonicContact OE2-NH2 3.91Å; E93-R123 PolarHBondContact OE2-NH2 3.16Å; E93-Q183 HydrophobicContact CB-CG 4.44Å; E93-Q183 PolarHBondContact OE2-OE1 2.73Å
94	V	98.8	Very high	96.3	Very high	18 Å²	18	54.1 Å²	54.1	11%	0.109	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	128.2	-178.7	-174.3	0	0	0	0	109.5	I120 G121 F122 Q183 V184 A185 I187	V94-I120 HydrophobicContact CG1-CG2 3.74Å; V94-G121 CarbonylContact C-O 3.39Å; V94-G121 WeakPolarHBondContact CA-O 3.23Å; V94-F122 HydrophobicContact CG1-CE1 4.25Å; V94-F122 HydrophobicContact CG2-CD1 4.16Å; V94-F122 HydrophobicContact CG2-CE1 4.23Å; V94-Q183 CarbonylContact O-C 3.52Å; V94-Q183 WeakPolarHBondContact O-CA 3.48Å; V94-V184 HydrophobicContact CG1-CG2 4.23Å; V94-V184 WeakPolarHBondContact O-CG2 3.24Å; V94-V184 PolarHBondContact O-N 3.04Å; V94-A185 HydrophobicContact CB-CB 4.21Å; V94-A185 HydrophobicContact CG2-CB 4.49Å; V94-A185 PolarHBondContact N-O 2.77Å; V94-A185 PolarHBondContact O-N 2.71Å; V94-I187 HydrophobicContact CG2-CD1 3.92Å; V94-I187 HydrophobicContact CG2-CG1 3.88Å; V94-I187 HydrophobicContact CG2-CG2 4.06Å
95	F	98.9	Very high	95.9	Very high	15 Å²	15	58.2 Å²	58.2	7%	0.066	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	137.6	-177.1	-60	-92.8	0	0	0	111.2	E93 L97 I120 G121 R123 I170 L181 V182 Q183	E93-F95 HydrophobicContact CB-CE2 3.72Å; E93-F95 HydrophobicContact CB-CZ 3.99Å; E93-F95 VanDerWaalsContact OE2-CZ 3.23Å; E93-F95 WeakPolarHBondContact OE2-CZ 3.15Å; F95-L97 HydrophobicContact CB-CD2 3.97Å; F95-L97 HydrophobicContact CB-CG 4.42Å; F95-I120 WeakPolarHBondContact O-CA 3.39Å; F95-G121 PolarHBondContact N-O 3.17Å; F95-G121 PolarHBondContact O-N 3.22Å; F95-R123 HydrophobicContact CE2-CB 3.82Å; F95-I170 HydrophobicContact CD2-CD1 4.16Å; F95-L181 HydrophobicContact CD1-CD2 3.81Å; F95-L181 HydrophobicContact CE1-CD2 4.21Å; F95-V182 CarbonylContact C-O 3.57Å; F95-V182 VanDerWaalsContact CA-O 3.3Å; F95-V182 WeakPolarHBondContact CA-O 3.14Å; F95-Q183 HydrophobicContact CD1-CB 3.96Å; F95-Q183 HydrophobicContact CE1-CB 3.78Å; F95-Q183 HydrophobicContact CE1-CG 4.39Å; F95-Q183 HydrophobicContact CZ-CB 4.47Å
96	R	98.8	Very high	95.6	Very high	116 Å²	116	56.3 Å²	56.3	44%	0.438	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	126.1	158.9	175	-179.1	178	-149.6	-5.9	108	V182 V184	R96-V182 HydrophobicContact CB-CG1 4.05Å; R96-V182 PolarHBondContact N-O 2.89Å; R96-V182 PolarHBondContact O-N 2.9Å; R96-V182 VanDerWaalsContact O-N 3.16Å; R96-V184 HydrophobicContact CB-CG1 3.65Å
97	L	98.8	Very high	95.1	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	131.4	177.1	-54.3	178	0	0	0	108.8	F95 D118 A119 T132 I170 W175 T180 L181	F95-L97 HydrophobicContact CB-CD2 3.97Å; F95-L97 HydrophobicContact CB-CG 4.42Å; L97-D118 WeakPolarHBondContact O-CA 3.34Å; L97-A119 HydrophobicContact CB-CB 3.97Å; L97-A119 WeakPolarHBondContact CB-O 3.44Å; L97-A119 HydrophobicContact CD1-CB 4.16Å; L97-A119 PolarHBondContact N-O 2.96Å; L97-A119 PolarHBondContact O-N 2.79Å; L97-T132 HydrophobicContact CD1-CG2 4.04Å; L97-I170 HydrophobicContact CD2-CG2 4.29Å; L97-W175 HydrophobicContact CB-CD2 3.72Å; L97-W175 HydrophobicContact CB-CE3 3.73Å; L97-W175 HydrophobicContact CB-CG 4.24Å; L97-W175 HydrophobicContact CB-CH2 4.24Å; L97-W175 HydrophobicContact CB-CZ2 4.24Å; L97-W175 HydrophobicContact CB-CZ3 3.99Å; L97-W175 HydrophobicContact CD1-CD2 4.33Å; L97-W175 HydrophobicContact CD1-CZ2 4.11Å; L97-W175 HydrophobicContact CD2-CB 4.41Å; L97-W175 HydrophobicContact CD2-CD2 4.38Å; L97-W175 HydrophobicContact CD2-CG 4.03Å; L97-W175 HydrophobicContact CG-CD2 4.37Å; L97-T180 CarbonylContact C-O 3.51Å; L97-T180 WeakPolarHBondContact CA-O 3.42Å; L97-L181 HydrophobicContact CD2-CB 4.27Å; L97-L181 HydrophobicContact CD2-CD1 4.07Å; L97-L181 HydrophobicContact CD2-CG 3.72Å
98	Q	97.9	Very high	94.7	Very high	34 Å²	34	52.8 Å²	52.8	16%	0.159	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	133.2	176.9	-172.5	172.2	87.8	0	0	110.1	M116 H117 D118 G179 T180	Q98-M116 HydrophobicContact CG-CB 3.56Å; Q98-M116 HydrophobicContact CG-CE 3.92Å; Q98-M116 HydrophobicContact CG-CG 4.03Å; Q98-H117 VanDerWaalsContact CA-O 3.29Å; Q98-H117 WeakPolarHBondContact CA-O 3.46Å; Q98-D118 WeakPolarHBondContact CG-OD1 3.43Å; Q98-D118 PolarHBondContact NE2-OD1 3.09Å; Q98-G179 CarbonylContact O-C 3.56Å; Q98-G179 WeakPolarHBondContact O-CA 3.47Å; Q98-T180 PolarHBondContact N-O 3.28Å; Q98-T180 PolarHBondContact O-N 2.69Å
99	A	96.9	Very high	94.5	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	157	177.3	0	0	0	0	0	110.8	M116 H117 W175	A99-M116 CarbonylContact O-C 3.46Å; A99-M116 WeakPolarHBondContact O-CA 3.39Å; A99-H117 PolarHBondContact N-O 2.91Å; A99-H117 PolarHBondContact O-N 3.15Å; A99-W175 HydrophobicContact CB-CE3 3.62Å; A99-W175 HydrophobicContact CB-CZ3 3.77Å
100	P	96.5	Very high	94.3	Very high	3 Å²	3	50 Å²	50	2%	0.019	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.1	139.6	175.5	-25.2	36.4	0	0	0	112.7	M116 N178	P100-M116 HydrophobicContact CG-CE 4.09Å; P100-M116 HydrophobicContact CG-SD 4.48Å; P100-N178 HydrophobicContact CG-CB 3.69Å
101	V	95.3	Very high	94	Very high	25 Å²	25	50.3 Å²	50.3	15%	0.152	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	147.7	174.7	-56.1	0	0	0	0	111	E103 L110 I115 M116 H117	V101-E103 PolarHBondContact O-N 2.68Å; V101-E103 VanDerWaalsContact O-N 3.15Å; V101-L110 HydrophobicContact CG2-CB 4.11Å; V101-L110 HydrophobicContact CG2-CD1 3.54Å; V101-L110 HydrophobicContact CG2-CG 4.45Å; V101-L110 WeakPolarHBondContact O-CD1 3.48Å; V101-I115 HydrophobicContact CB-CG2 4.47Å; V101-I115 HydrophobicContact CG1-CG2 4.12Å; V101-I115 HydrophobicContact CG2-CB 4.11Å; V101-I115 HydrophobicContact CG2-CG2 3.49Å; V101-I115 VanDerWaalsContact CG2-CG2 3.49Å; V101-I115 PolarHBondContact N-O 2.74Å; V101-I115 VanDerWaalsContact N-O 3.09Å; V101-M116 VanDerWaalsContact CG1-C 3.47Å; V101-H117 HydrophobicContact CG1-CB 4.16Å
102	W	91	Very high	93.7	Very high	87 Å²	87	51.9 Å²	51.9	33%	0.33	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.8	34	175.6	-58.7	-43.3	0	0	0	115.5	F104 K105 Y106 L110 L141	W102-F104 HydrophobicContact CB-CE1 4.41Å; W102-F104 AromaticContact CD1-CE1 3.75Å; W102-F104 HydrophobicContact CG-CE1 4.48Å; W102-F104 PolarHBondContact O-N 3Å; W102-K105 HydrophobicContact CB-CB 4.48Å; W102-K105 PolarHBondContact O-N 2.8Å; W102-Y106 HydrophobicContact CB-CD2 3.75Å; W102-Y106 HydrophobicContact CB-CE2 4.17Å; W102-Y106 HydrophobicContact CD2-CE2 4.49Å; W102-Y106 HydrophobicContact CE3-CD2 4.41Å; W102-Y106 HydrophobicContact CE3-CE2 4.11Å; W102-Y106 PolarHBondContact O-N 3.44Å; W102-L110 HydrophobicContact CB-CD1 4.32Å; W102-L110 HydrophobicContact CD2-CD1 4.49Å; W102-L110 HydrophobicContact CE3-CD1 3.57Å; W102-L110 HydrophobicContact CZ3-CD1 4.32Å; W102-L141 HydrophobicContact CH2-CB 4.34Å; W102-L141 HydrophobicContact CH2-CD2 3.78Å; W102-L141 HydrophobicContact CH2-CG 4.49Å; W102-L141 HydrophobicContact CZ2-CB 3.82Å; W102-L141 HydrophobicContact CZ2-CD2 4Å; W102-L141 HydrophobicContact CZ2-CG 4.44Å
103	E	89.3	Confident	93.5	Very high	40 Å²	40	57 Å²	57	19%	0.187	27%	0.272	C	S	.	.	H	α-helix	trans	-55.2	-37.8	177	-167.3	177.5	75.2	0	0	111.8	V101 K105 Y106 G107 H174 N178	V101-E103 PolarHBondContact O-N 2.68Å; V101-E103 VanDerWaalsContact O-N 3.15Å; E103-K105 PolarHBondContact O-N 2.82Å; E103-Y106 PolarHBondContact O-N 2.85Å; E103-G107 WeakPolarHBondContact O-CA 3.04Å; E103-G107 PolarHBondContact O-N 2.75Å; E103-H174 IonicContact OE1-ND1 2.7Å; E103-N178 PolarHBondContact OE2-ND2 2.8Å
104	F	84.8	Confident	93.3	Very high	129 Å²	129	63.6 Å²	63.6	57%	0.566	30%	0.3	S	S	*	.	H	α-helix	trans	-57.3	-19.9	175	73.7	-95.1	0	0	0	114.6	Y74 W102	Y74-F104 AromaticContact CE2-CE2 3.9Å; Y74-F104 HydrophobicContact CE2-CE2 3.9Å; Y74-F104 HydrophobicContact CE2-CZ 4.16Å; Y74-F104 AromaticContact CZ-CE2 3.97Å; W102-F104 HydrophobicContact CB-CE1 4.41Å; W102-F104 AromaticContact CD1-CE1 3.75Å; W102-F104 HydrophobicContact CG-CE1 4.48Å; W102-F104 PolarHBondContact O-N 3Å
105	K	88.3	Confident	93.1	Very high	131 Å²	131	66.7 Å²	66.7	57%	0.57	32%	0.315	S	S	*	.	H	α-helix	trans	-111.5	-35.4	-177.5	-171	174.1	179.9	-164.2	0	113	W102 E103	W102-K105 HydrophobicContact CB-CB 4.48Å; W102-K105 PolarHBondContact O-N 2.8Å; E103-K105 PolarHBondContact O-N 2.82Å
106	Y	90.3	Very high	93	Very high	106 Å²	106	68 Å²	68	42%	0.416	32%	0.322	S	S	.	.	H	α-helix	trans	-124.4	2.6	-170.1	-58	-64.9	0	0	0	114.3	W102 E103 L109 L110	W102-Y106 HydrophobicContact CB-CD2 3.75Å; W102-Y106 HydrophobicContact CB-CE2 4.17Å; W102-Y106 HydrophobicContact CD2-CE2 4.49Å; W102-Y106 HydrophobicContact CE3-CD2 4.41Å; W102-Y106 HydrophobicContact CE3-CE2 4.11Å; W102-Y106 PolarHBondContact O-N 3.44Å; E103-Y106 PolarHBondContact O-N 2.85Å; Y106-L109 WeakPolarHBondContact O-CB 3.22Å; Y106-L110 HydrophobicContact CD2-CD1 3.99Å
107	G	87.9	Confident	93	Very high	32 Å²	32	64.6 Å²	64.6	33%	0.33	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.2	-141.4	-173.5	0	0	0	0	0	111.8	E103 L109	E103-G107 WeakPolarHBondContact O-CA 3.04Å; E103-G107 PolarHBondContact O-N 2.75Å; G107-L109 VanDerWaalsContact C-N 3.27Å; G107-L109 PolarHBondContact O-N 3.42Å
108	D	87.4	Confident	93	Very high	71 Å²	71	68.9 Å²	68.9	38%	0.38	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-3.3	-176.6	69.6	-17.3	0	0	0	114.5	L110 G111 H112	D108-L110 VanDerWaalsContact C-N 3.3Å; D108-L110 PolarHBondContact O-N 3.29Å; D108-G111 WeakPolarHBondContact O-CA 3.43Å; D108-G111 PolarHBondContact O-N 3.38Å; D108-H112 VanDerWaalsContact CG-NE2 3.26Å; D108-H112 PolarHBondContact O-CD2 3.33Å; D108-H112 PolarHBondContact O-N 3.45Å; D108-H112 VanDerWaalsContact O-N 3.09Å; D108-H112 IonicContact OD1-CD2 2.68Å; D108-H112 IonicContact OD1-NE2 3.06Å; D108-H112 IonicContact OD2-CD2 3.32Å; D108-H112 IonicContact OD2-CE1 2.58Å; D108-H112 IonicContact OD2-NE2 3.68Å; D108-H112 PolarHBondContact OD2-NE2 3.46Å
109	L	93.1	Very high	93	Very high	94 Å²	94	67.6 Å²	67.6	49%	0.492	33%	0.33	S	S	.	.	H	α-helix	trans	-50.9	-46.2	-174.5	177.4	62.6	0	0	0	112.9	Y106 G107 G111 H112 L113	Y106-L109 WeakPolarHBondContact O-CB 3.22Å; G107-L109 VanDerWaalsContact C-N 3.27Å; G107-L109 PolarHBondContact O-N 3.42Å; L109-G111 VanDerWaalsContact C-N 3.3Å; L109-H112 WeakPolarHBondContact O-CB 3.31Å; L109-H112 PolarHBondContact O-N 3.15Å; L109-L113 PolarHBondContact O-N 3.4Å
110	L	93.1	Very high	93.1	Very high	20 Å²	20	71 Å²	71	11%	0.105	35%	0.347	C	S	.	.	H	α-helix	trans	-76.7	-20.9	-178.2	-60.1	-174.8	0	0	0	112.5	V101 W102 Y106 D108 L113 K114 I115	V101-L110 HydrophobicContact CG2-CB 4.11Å; V101-L110 HydrophobicContact CG2-CD1 3.54Å; V101-L110 HydrophobicContact CG2-CG 4.45Å; V101-L110 WeakPolarHBondContact O-CD1 3.48Å; W102-L110 HydrophobicContact CB-CD1 4.32Å; W102-L110 HydrophobicContact CD2-CD1 4.49Å; W102-L110 HydrophobicContact CE3-CD1 3.57Å; W102-L110 HydrophobicContact CZ3-CD1 4.32Å; Y106-L110 HydrophobicContact CD2-CD1 3.99Å; D108-L110 VanDerWaalsContact C-N 3.3Å; D108-L110 PolarHBondContact O-N 3.29Å; L110-L113 HydrophobicContact CD2-CD1 4.12Å; L110-L113 CarbonylContact O-C 3.56Å; L110-L113 PolarHBondContact O-N 2.93Å; L110-K114 PolarHBondContact O-N 2.72Å; L110-K114 VanDerWaalsContact O-N 3.08Å; L110-I115 HydrophobicContact CB-CB 4.41Å; L110-I115 HydrophobicContact CD2-CD1 4.47Å; L110-I115 PolarHBondContact O-N 2.83Å
111	G	90.6	Very high	93.2	Very high	9 Å²	9	70.9 Å²	70.9	9%	0.093	35%	0.346	C	S	.	.	H	α-helix	trans	-69.8	-34.5	170.3	0	0	0	0	0	112.5	D108 L109 L113 K114	D108-G111 WeakPolarHBondContact O-CA 3.43Å; D108-G111 PolarHBondContact O-N 3.38Å; L109-G111 VanDerWaalsContact C-N 3.3Å; G111-L113 PolarHBondContact O-N 2.82Å; G111-K114 WeakPolarHBondContact O-CD 3.48Å; G111-K114 PolarHBondContact O-N 3.47Å; G111-K114 VanDerWaalsContact O-N 3.1Å; G111-K114 PolarHBondContact O-NZ 2.93Å
112	H	91.9	Very high	93.4	Very high	126 Å²	126	71.5 Å²	71.5	58%	0.583	35%	0.347	S	S	*	.	H	α-helix	trans	-63.7	-30.9	170.3	-68.3	-64.7	0	0	0	112.2	D108 L109 K114	D108-H112 VanDerWaalsContact CG-NE2 3.26Å; D108-H112 PolarHBondContact O-CD2 3.33Å; D108-H112 PolarHBondContact O-N 3.45Å; D108-H112 VanDerWaalsContact O-N 3.09Å; D108-H112 IonicContact OD1-CD2 2.68Å; D108-H112 IonicContact OD1-NE2 3.06Å; D108-H112 IonicContact OD2-CD2 3.32Å; D108-H112 IonicContact OD2-CE1 2.58Å; D108-H112 IonicContact OD2-NE2 3.68Å; D108-H112 PolarHBondContact OD2-NE2 3.46Å; L109-H112 WeakPolarHBondContact O-CB 3.31Å; L109-H112 PolarHBondContact O-N 3.15Å; H112-K114 VanDerWaalsContact C-N 3.35Å
113	L	94.5	Very high	93.8	Very high	113 Å²	113	71.9 Å²	71.9	59%	0.592	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-0.3	174.9	-58.7	-179.4	0	0	0	113.9	L109 L110 G111 I115	L109-L113 PolarHBondContact O-N 3.4Å; L110-L113 HydrophobicContact CD2-CD1 4.12Å; L110-L113 CarbonylContact O-C 3.56Å; L110-L113 PolarHBondContact O-N 2.93Å; G111-L113 PolarHBondContact O-N 2.82Å; L113-I115 VanDerWaalsContact C-N 3.27Å; L113-I115 HydrophobicContact CB-CD1 4.36Å; L113-I115 HydrophobicContact CB-CG1 4.2Å; L113-I115 PolarHBondContact O-N 3.02Å
114	K	94.6	Very high	94.2	Very high	166 Å²	166	70 Å²	70	72%	0.722	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.2	34.1	-178.5	-50.9	-62.1	170.4	-159.7	0	113.8	L110 G111 H112	L110-K114 PolarHBondContact O-N 2.72Å; L110-K114 VanDerWaalsContact O-N 3.08Å; G111-K114 WeakPolarHBondContact O-CD 3.48Å; G111-K114 PolarHBondContact O-N 3.47Å; G111-K114 VanDerWaalsContact O-N 3.1Å; G111-K114 PolarHBondContact O-NZ 2.93Å; H112-K114 VanDerWaalsContact C-N 3.35Å
115	I	96.5	Very high	94.8	Very high	83 Å²	83	67.4 Å²	67.4	43%	0.426	33%	0.334	S	S	.	.			trans	-94.6	102.5	169.6	-51.6	178.4	0	0	0	107.6	V101 L110 L113	V101-I115 HydrophobicContact CB-CG2 4.47Å; V101-I115 HydrophobicContact CG1-CG2 4.12Å; V101-I115 HydrophobicContact CG2-CB 4.11Å; V101-I115 HydrophobicContact CG2-CG2 3.49Å; V101-I115 VanDerWaalsContact CG2-CG2 3.49Å; V101-I115 PolarHBondContact N-O 2.74Å; V101-I115 VanDerWaalsContact N-O 3.09Å; L110-I115 HydrophobicContact CB-CB 4.41Å; L110-I115 HydrophobicContact CD2-CD1 4.47Å; L110-I115 PolarHBondContact O-N 2.83Å; L113-I115 VanDerWaalsContact C-N 3.27Å; L113-I115 HydrophobicContact CB-CD1 4.36Å; L113-I115 HydrophobicContact CB-CG1 4.2Å; L113-I115 PolarHBondContact O-N 3.02Å
116	M	96.8	Very high	95.2	Very high	42 Å²	42	66.2 Å²	66.2	21%	0.207	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	149	-168.3	-47.1	-58.8	-72.3	0	0	111.8	Q98 A99 P100 V101	Q98-M116 HydrophobicContact CG-CB 3.56Å; Q98-M116 HydrophobicContact CG-CE 3.92Å; Q98-M116 HydrophobicContact CG-CG 4.03Å; A99-M116 CarbonylContact O-C 3.46Å; A99-M116 WeakPolarHBondContact O-CA 3.39Å; P100-M116 HydrophobicContact CG-CE 4.09Å; P100-M116 HydrophobicContact CG-SD 4.48Å; V101-M116 VanDerWaalsContact CG1-C 3.47Å
117	H	97.5	Very high	95.5	Very high	45 Å²	45	65 Å²	65	21%	0.208	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	137.7	164	179.6	58	0	0	0	109	Q98 A99 V101 E134 W175	Q98-H117 VanDerWaalsContact CA-O 3.29Å; Q98-H117 WeakPolarHBondContact CA-O 3.46Å; A99-H117 PolarHBondContact N-O 2.91Å; A99-H117 PolarHBondContact O-N 3.15Å; V101-H117 HydrophobicContact CG1-CB 4.16Å; H117-E134 IonicContact CD2-OE2 2.77Å; H117-E134 IonicContact CE1-OE2 2.71Å; H117-E134 IonicContact NE2-OE2 3.17Å; H117-E134 PolarHBondContact NE2-OE2 2.99Å; H117-W175 AromaticContact CD2-CH2 3.81Å
118	D	98.5	Very high	96	Very high	90 Å²	90	66.1 Å²	66.1	48%	0.481	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	140.8	179.7	-70.8	-63.1	0	0	0	110.6	L97 Q98	L97-D118 WeakPolarHBondContact O-CA 3.34Å; Q98-D118 WeakPolarHBondContact CG-OD1 3.43Å; Q98-D118 PolarHBondContact NE2-OD1 3.09Å
119	A	98.8	Very high	96.5	Very high	8 Å²	8	66.9 Å²	66.9	7%	0.066	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	171.6	173	0	0	0	0	0	111.2	L97 T132 M133 E134 W175	L97-A119 HydrophobicContact CB-CB 3.97Å; L97-A119 WeakPolarHBondContact CB-O 3.44Å; L97-A119 HydrophobicContact CD1-CB 4.16Å; L97-A119 PolarHBondContact N-O 2.96Å; L97-A119 PolarHBondContact O-N 2.79Å; A119-T132 HydrophobicContact CB-CG2 4.17Å; A119-M133 WeakPolarHBondContact CB-O 3.15Å; A119-E134 HydrophobicContact CB-CB 3.95Å; A119-W175 HydrophobicContact CB-CH2 3.56Å; A119-W175 HydrophobicContact CB-CZ2 3.93Å; A119-W175 HydrophobicContact CB-CZ3 4.29Å
120	I	98.9	Very high	96.7	Very high	72 Å²	72	64.5 Å²	64.5	37%	0.369	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	128.5	175.3	-56.7	174.8	0	0	0	108.5	V94 F95 F122 M133	V94-I120 HydrophobicContact CG1-CG2 3.74Å; F95-I120 WeakPolarHBondContact O-CA 3.39Å; I120-F122 HydrophobicContact CB-CE2 4.22Å; I120-F122 HydrophobicContact CB-CZ 4.32Å; I120-F122 HydrophobicContact CG2-CD2 4.43Å; I120-F122 HydrophobicContact CG2-CE1 4.03Å; I120-F122 HydrophobicContact CG2-CE2 3.73Å; I120-F122 HydrophobicContact CG2-CZ 3.49Å; I120-F122 VanDerWaalsContact CG2-CZ 3.49Å; I120-M133 HydrophobicContact CD1-CE 4.2Å; I120-M133 PolarHBondContact N-O 3.37Å; I120-M133 PolarHBondContact O-N 3.26Å
121	G	98.8	Very high	97	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	147.2	173.2	0	0	0	0	0	111.4	V94 F95 Y131	V94-G121 CarbonylContact C-O 3.39Å; V94-G121 WeakPolarHBondContact CA-O 3.23Å; F95-G121 PolarHBondContact N-O 3.17Å; F95-G121 PolarHBondContact O-N 3.22Å; G121-Y131 CarbonylContact C-O 3.57Å; G121-Y131 WeakPolarHBondContact CA-O 3.36Å
122	F	98.8	Very high	97.4	Very high	37 Å²	37	63.9 Å²	63.9	16%	0.162	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	137.2	173.5	-58.8	-84.9	0	0	0	109.5	I92 E93 V94 I120 N130 Y131 M133 F166	I92-F122 HydrophobicContact CG2-CB 4.03Å; I92-F122 HydrophobicContact CG2-CD1 4.07Å; E93-F122 CarbonylContact O-C 3.29Å; E93-F122 VanDerWaalsContact O-CA 3.3Å; E93-F122 WeakPolarHBondContact O-CA 3.3Å; V94-F122 HydrophobicContact CG1-CE1 4.25Å; V94-F122 HydrophobicContact CG2-CD1 4.16Å; V94-F122 HydrophobicContact CG2-CE1 4.23Å; I120-F122 HydrophobicContact CB-CE2 4.22Å; I120-F122 HydrophobicContact CB-CZ 4.32Å; I120-F122 HydrophobicContact CG2-CD2 4.43Å; I120-F122 HydrophobicContact CG2-CE1 4.03Å; I120-F122 HydrophobicContact CG2-CE2 3.73Å; I120-F122 HydrophobicContact CG2-CZ 3.49Å; I120-F122 VanDerWaalsContact CG2-CZ 3.49Å; F122-N130 CarbonylContact O-C 3.55Å; F122-N130 WeakPolarHBondContact O-CA 3.27Å; F122-N130 WeakPolarHBondContact O-CB 3.36Å; F122-Y131 PolarHBondContact N-O 3.16Å; F122-Y131 PolarHBondContact O-N 3.01Å; F122-M133 HydrophobicContact CE2-CB 3.83Å; F122-M133 HydrophobicContact CE2-CE 3.96Å; F122-M133 HydrophobicContact CE2-SD 4.44Å; F122-M133 HydrophobicContact CZ-CE 3.97Å; F122-F166 HydrophobicContact CD2-CE2 4.37Å
123	R	98.7	Very high	97.7	Very high	96 Å²	96	60.7 Å²	60.7	36%	0.362	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	120.9	170	-176.9	173.3	74	-150.5	13.4	110	I92 E93 F95 K129 N130	I92-R123 CarbonylContact C-O 3.57Å; I92-R123 WeakPolarHBondContact CA-O 3.4Å; E93-R123 HydrophobicContact CB-CB 4.32Å; E93-R123 VanDerWaalsContact CD-CZ 3.48Å; E93-R123 PolarHBondContact N-O 3.22Å; E93-R123 PolarHBondContact O-N 2.73Å; E93-R123 IonicContact OE1-CZ 3.69Å; E93-R123 IonicContact OE1-NE 2.73Å; E93-R123 PolarHBondContact OE1-NE 3.02Å; E93-R123 IonicContact OE1-NH2 3.35Å; E93-R123 PolarHBondContact OE1-NH2 3.1Å; E93-R123 IonicContact OE2-CZ 3.63Å; E93-R123 IonicContact OE2-NE 3.72Å; E93-R123 PolarHBondContact OE2-NE 2.93Å; E93-R123 IonicContact OE2-NH1 3.91Å; E93-R123 IonicContact OE2-NH2 3.91Å; E93-R123 PolarHBondContact OE2-NH2 3.16Å; F95-R123 HydrophobicContact CE2-CB 3.82Å; R123-K129 WeakPolarHBondContact CA-O 3.32Å; R123-N130 HydrophobicContact CB-CB 3.99Å; R123-N130 HydrophobicContact CG-CB 4.14Å
124	S	98.4	Very high	97.9	Very high	1 Å²	1	56.7 Å²	56.7	1%	0.007	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	133.9	174.1	155.8	0	0	0	0	109.7	D90 L126 T127 G128 K129	D90-S124 VanDerWaalsContact OD2-CB 3.24Å; D90-S124 WeakPolarHBondContact OD2-CB 3.43Å; D90-S124 PolarHBondContact OD2-OG 3.13Å; S124-L126 PolarHBondContact OG-N 3.34Å; S124-T127 WeakPolarHBondContact CB-OG1 3.29Å; S124-T127 PolarHBondContact OG-N 3.39Å; S124-T127 PolarHBondContact OG-OG1 3.09Å; S124-G128 VanDerWaalsContact O-CA 3.31Å; S124-G128 WeakPolarHBondContact O-CA 3.48Å; S124-G128 PolarHBondContact O-N 3.08Å; S124-G128 VanDerWaalsContact O-N 3.11Å; S124-K129 PolarHBondContact N-O 3.41Å
125	T	97.7	Very high	98.1	Very high	73 Å²	73	56.1 Å²	56.1	45%	0.448	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-31.9	176.8	56.1	0	0	0	0	111.6	D90 D91	D90-T125 PolarHBondContact OD1-N 2.82Å; D90-T125 VanDerWaalsContact OD1-N 3.17Å; D90-T125 PolarHBondContact OD1-OG1 2.8Å; D90-T125 VanDerWaalsContact OD1-OG1 3.06Å; D91-T125 HydrophobicContact CB-CG2 4.11Å; D91-T125 PolarHBondContact N-OG1 3.11Å; D91-T125 WeakPolarHBondContact O-CB 3.48Å; D91-T125 WeakPolarHBondContact O-CG2 3.24Å; D91-T125 PolarHBondContact O-N 3.24Å; D91-T125 PolarHBondContact O-OG1 3.48Å
126	L	97.6	Very high	98.2	Very high	106 Å²	106	53.8 Å²	53.8	56%	0.555	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-43.9	177.3	-67.2	-177.6	0	0	0	113.3	E87 D90 S124	E87-L126 HydrophobicContact CB-CD1 4Å; D90-L126 HydrophobicContact CB-CD1 3.65Å; D90-L126 HydrophobicContact CB-CG 4.02Å; D90-L126 WeakPolarHBondContact OD1-CG 3.45Å; D90-L126 PolarHBondContact OD1-N 2.96Å; S124-L126 PolarHBondContact OG-N 3.34Å
127	T	96.6	Very high	98.3	Very high	82 Å²	82	53.6 Å²	53.6	50%	0.503	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91	-19.7	-177.1	67.4	0	0	0	0	113.1	S124 K129	S124-T127 WeakPolarHBondContact CB-OG1 3.29Å; S124-T127 PolarHBondContact OG-N 3.39Å; S124-T127 PolarHBondContact OG-OG1 3.09Å; T127-K129 PolarHBondContact O-N 3.21Å; T127-K129 VanDerWaalsContact O-N 3.13Å; T127-K129 PolarHBondContact OG1-N 2.96Å
128	G	96.6	Very high	98.3	Very high	54 Å²	54	52.5 Å²	52.5	56%	0.557	27%	0.268	S	S	*	.			trans	69	-3	-171.2	0	0	0	0	0	114.3	S124	S124-G128 VanDerWaalsContact O-CA 3.31Å; S124-G128 WeakPolarHBondContact O-CA 3.48Å; S124-G128 PolarHBondContact O-N 3.08Å; S124-G128 VanDerWaalsContact O-N 3.11Å
129	K	98.1	Very high	98.3	Very high	88 Å²	88	49 Å²	49	38%	0.383	25%	0.249	S	C	.	.			trans	-77.3	151.3	178.7	-67.2	-174.7	168.4	-135.5	0	111	R123 S124 T127 Y131 E168	R123-K129 WeakPolarHBondContact CA-O 3.32Å; S124-K129 PolarHBondContact N-O 3.41Å; T127-K129 PolarHBondContact O-N 3.21Å; T127-K129 VanDerWaalsContact O-N 3.13Å; T127-K129 PolarHBondContact OG1-N 2.96Å; K129-Y131 HydrophobicContact CB-CE2 3.89Å; K129-Y131 WeakPolarHBondContact CD-OH 3.07Å; K129-E168 WeakPolarHBondContact CD-OE1 3.34Å; K129-E168 WeakPolarHBondContact CE-OE1 3.26Å; K129-E168 VanDerWaalsContact NZ-CD 3.31Å; K129-E168 IonicContact NZ-OE1 3.36Å; K129-E168 PolarHBondContact NZ-OE1 3.29Å; K129-E168 IonicContact NZ-OE2 3.73Å; K129-E168 PolarHBondContact NZ-OE2 3.39Å
130	N	98.5	Very high	98.2	Very high	43 Å²	43	51.4 Å²	51.4	23%	0.23	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	160.1	171.8	65.4	29	0	0	0	111.6	F122 R123 G169 I170	F122-N130 CarbonylContact O-C 3.55Å; F122-N130 WeakPolarHBondContact O-CA 3.27Å; F122-N130 WeakPolarHBondContact O-CB 3.36Å; R123-N130 HydrophobicContact CB-CB 3.99Å; R123-N130 HydrophobicContact CG-CB 4.14Å; N130-G169 PolarHBondContact O-N 3.16Å; N130-G169 VanDerWaalsContact OD1-C 3.25Å; N130-G169 WeakPolarHBondContact OD1-CA 3.4Å; N130-I170 HydrophobicContact CB-CD1 3.87Å; N130-I170 HydrophobicContact CB-CG1 3.99Å; N130-I170 PolarHBondContact OD1-N 3.14Å
131	Y	98.8	Very high	98.1	Very high	16 Å²	16	51.1 Å²	51.1	6%	0.063	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	148.9	-171.8	-54.5	-88.9	0	0	0	109.8	P84 M86 G121 F122 K129 F166 F167 E168	P84-Y131 HydrophobicContact CG-CE1 4.12Å; P84-Y131 HydrophobicContact CG-CE2 4.44Å; M86-Y131 HydrophobicContact CE-CD2 4.12Å; M86-Y131 HydrophobicContact CE-CE2 3.72Å; G121-Y131 CarbonylContact C-O 3.57Å; G121-Y131 WeakPolarHBondContact CA-O 3.36Å; F122-Y131 PolarHBondContact N-O 3.16Å; F122-Y131 PolarHBondContact O-N 3.01Å; K129-Y131 HydrophobicContact CB-CE2 3.89Å; K129-Y131 WeakPolarHBondContact CD-OH 3.07Å; Y131-F166 VanDerWaalsContact CB-CZ 3.41Å; Y131-F166 AromaticContact CD1-CE1 3.46Å; Y131-F166 HydrophobicContact CD1-CE1 3.46Å; Y131-F166 VanDerWaalsContact CD1-CE1 3.46Å; Y131-F166 AromaticContact CD1-CZ 3.52Å; Y131-F166 HydrophobicContact CD1-CZ 3.52Å; Y131-F166 HydrophobicContact CD2-CZ 4.25Å; Y131-F166 HydrophobicContact CE1-CE1 4.16Å; Y131-F166 HydrophobicContact CE1-CZ 4.36Å; Y131-F166 AromaticContact CG-CE1 3.92Å; Y131-F166 HydrophobicContact CG-CE1 3.92Å; Y131-F166 HydrophobicContact CG-CE2 4.32Å; Y131-F166 AromaticContact CG-CZ 3.45Å; Y131-F166 HydrophobicContact CG-CZ 3.45Å; Y131-F166 VanDerWaalsContact CG-CZ 3.45Å; Y131-F167 CarbonylContact C-O 3.41Å; Y131-F167 VanDerWaalsContact CA-O 3.24Å; Y131-F167 WeakPolarHBondContact CA-O 3.4Å; Y131-F167 WeakPolarHBondContact CB-O 3.05Å; Y131-E168 HydrophobicContact CD1-CB 4.09Å; Y131-E168 HydrophobicContact CD1-CG 4.37Å; Y131-E168 HydrophobicContact CE1-CB 4.07Å; Y131-E168 HydrophobicContact CE1-CG 4.09Å
132	T	98.9	Very high	98.1	Very high	1 Å²	1	53 Å²	53	1%	0.006	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	133.6	171.8	-60.1	0	0	0	0	109	L97 A119 F166 F167 G169 W175	L97-T132 HydrophobicContact CD1-CG2 4.04Å; A119-T132 HydrophobicContact CB-CG2 4.17Å; T132-F166 WeakPolarHBondContact O-CA 3.46Å; T132-F167 VanDerWaalsContact CB-CZ 3.5Å; T132-F167 HydrophobicContact CG2-CE1 4.01Å; T132-F167 HydrophobicContact CG2-CE2 4.19Å; T132-F167 HydrophobicContact CG2-CZ 3.58Å; T132-F167 PolarHBondContact N-O 3.42Å; T132-F167 PolarHBondContact O-N 3.06Å; T132-G169 PolarHBondContact N-O 3.4Å; T132-G169 PolarHBondContact OG1-O 3.34Å; T132-W175 HydrophobicContact CG2-CZ2 4.08Å
133	M	98.8	Very high	98	Very high	58 Å²	58	53.1 Å²	53.1	29%	0.286	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	127.2	171.9	-170.8	175	66.2	0	0	109.9	A119 I120 F122 C165 F166	A119-M133 WeakPolarHBondContact CB-O 3.15Å; I120-M133 HydrophobicContact CD1-CE 4.2Å; I120-M133 PolarHBondContact N-O 3.37Å; I120-M133 PolarHBondContact O-N 3.26Å; F122-M133 HydrophobicContact CE2-CB 3.83Å; F122-M133 HydrophobicContact CE2-CE 3.96Å; F122-M133 HydrophobicContact CE2-SD 4.44Å; F122-M133 HydrophobicContact CZ-CE 3.97Å; M133-C165 WeakPolarHBondContact CA-O 3.32Å; M133-F166 HydrophobicContact CB-CD2 3.97Å; M133-F166 HydrophobicContact CG-CD2 4.21Å; M133-F166 HydrophobicContact SD-CD2 4.45Å
134	E	98.4	Very high	98	Very high	30 Å²	30	50.2 Å²	50.2	14%	0.14	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	163.2	-178.5	57.8	-179.6	176.7	0	0	110.8	H117 A119 Y136 A164 C165 F167	H117-E134 IonicContact CD2-OE2 2.77Å; H117-E134 IonicContact CE1-OE2 2.71Å; H117-E134 IonicContact NE2-OE2 3.17Å; H117-E134 PolarHBondContact NE2-OE2 2.99Å; A119-E134 HydrophobicContact CB-CB 3.95Å; E134-Y136 HydrophobicContact CB-CD1 4.39Å; E134-Y136 HydrophobicContact CG-CD1 3.74Å; E134-Y136 HydrophobicContact CG-CE1 3.62Å; E134-Y136 WeakPolarHBondContact OE1-CE1 3.24Å; E134-A164 CarbonylContact O-C 3.5Å; E134-A164 VanDerWaalsContact O-CA 3.27Å; E134-A164 WeakPolarHBondContact O-CA 3.24Å; E134-C165 HydrophobicContact CG-CB 3.81Å; E134-C165 PolarHBondContact N-O 3.23Å; E134-C165 PolarHBondContact O-N 3.16Å; E134-F167 HydrophobicContact CG-CE1 4.29Å; E134-F167 WeakPolarHBondContact OE1-CE1 3.36Å
135	W	98.6	Very high	98	Very high	154 Å²	154	53.2 Å²	53.2	58%	0.583	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.9	123.4	171.6	-172.5	107	0	0	0	108.4	G162 A163	W135-G162 VanDerWaalsContact CZ2-C 3.48Å; W135-G162 VanDerWaalsContact CZ2-CA 3.49Å; W135-A163 WeakPolarHBondContact CA-O 3.32Å
136	Y	98.4	Very high	98	Very high	33 Å²	33	56.9 Å²	56.9	13%	0.129	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	-178.1	-179.8	65.9	-80.8	0	0	0	111.9	F76 C77 E134 G162 A163 C165	F76-Y136 AromaticContact CD2-CD2 3.94Å; F76-Y136 HydrophobicContact CD2-CD2 3.94Å; F76-Y136 HydrophobicContact CD2-CE1 4.25Å; F76-Y136 AromaticContact CD2-CE2 3.43Å; F76-Y136 HydrophobicContact CD2-CE2 3.43Å; F76-Y136 VanDerWaalsContact CD2-CE2 3.43Å; F76-Y136 AromaticContact CD2-CZ 3.65Å; F76-Y136 HydrophobicContact CE2-CD1 4.07Å; F76-Y136 HydrophobicContact CE2-CD2 4.02Å; F76-Y136 AromaticContact CE2-CE1 3.76Å; F76-Y136 HydrophobicContact CE2-CE1 3.76Å; F76-Y136 AromaticContact CE2-CE2 3.75Å; F76-Y136 HydrophobicContact CE2-CE2 3.75Å; F76-Y136 HydrophobicContact CE2-CG 4.2Å; F76-Y136 AromaticContact CE2-CZ 3.65Å; F76-Y136 HydrophobicContact CG-CE2 4.48Å; F76-Y136 HydrophobicContact CZ-CE1 4.5Å; C77-Y136 WeakPolarHBondContact CA-OH 3.4Å; C77-Y136 PolarHBondContact N-OH 3.24Å; E134-Y136 HydrophobicContact CB-CD1 4.39Å; E134-Y136 HydrophobicContact CG-CD1 3.74Å; E134-Y136 HydrophobicContact CG-CE1 3.62Å; E134-Y136 WeakPolarHBondContact OE1-CE1 3.24Å; Y136-G162 VanDerWaalsContact O-CA 3.24Å; Y136-G162 WeakPolarHBondContact O-CA 3.47Å; Y136-A163 PolarHBondContact N-O 3.15Å; Y136-A163 VanDerWaalsContact N-O 3.16Å; Y136-A163 PolarHBondContact O-N 2.88Å; Y136-C165 HydrophobicContact CE1-CB 3.72Å
137	E	98.5	Very high	98.1	Very high	38 Å²	38	54 Å²	54	18%	0.178	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	135.7	-171.7	-48.8	88.2	163.5	0	0	112.5	F139 L141 C144	E137-F139 PolarHBondContact O-N 2.02Å; E137-L141 VanDerWaalsContact OE1-CA 3.31Å; E137-L141 WeakPolarHBondContact OE1-CA 2.99Å; E137-L141 WeakPolarHBondContact OE1-CB 3.48Å; E137-L141 VanDerWaalsContact OE1-CD1 3.29Å; E137-L141 WeakPolarHBondContact OE1-CD1 3.45Å; E137-C144 HydrophobicContact CG-CB 3.99Å; E137-C144 WeakPolarHBondContact CG-SG 3.42Å
138	L	98.5	Very high	98.2	Very high	22 Å²	22	52.8 Å²	52.8	12%	0.115	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-30.9	171.3	-86.1	65.3	0	0	0	111.7	P66 A72 F76 Q161 A163	P66-L138 HydrophobicContact CG-CD2 3.88Å; A72-L138 WeakPolarHBondContact CB-O 3.01Å; F76-L138 HydrophobicContact CB-CG 4.38Å; F76-L138 HydrophobicContact CD1-CD1 4.41Å; F76-L138 HydrophobicContact CD1-CG 4.26Å; F76-L138 HydrophobicContact CD2-CD1 4.11Å; F76-L138 HydrophobicContact CD2-CG 4.25Å; F76-L138 HydrophobicContact CE1-CD1 4.43Å; F76-L138 HydrophobicContact CE2-CD1 4.14Å; F76-L138 HydrophobicContact CG-CD1 4.27Å; F76-L138 HydrophobicContact CG-CG 4.01Å; F76-L138 HydrophobicContact CZ-CD1 4.32Å; L138-Q161 HydrophobicContact CD1-CB 4.38Å; L138-Q161 HydrophobicContact CD2-CB 4.08Å; L138-Q161 PolarHBondContact N-O 2.94Å; L138-A163 HydrophobicContact CD1-CB 3.56Å
139	F	98.2	Very high	98.3	Very high	18 Å²	18	57.3 Å²	57.3	8%	0.079	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-126.3	24.7	-171	-51.1	-69	0	0	0	113.2	P66 C70 A72 E137 N143 C159	P66-F139 HydrophobicContact CB-CE2 3.99Å; P66-F139 HydrophobicContact CB-CZ 3.58Å; P66-F139 HydrophobicContact CG-CE2 4.4Å; P66-F139 HydrophobicContact CG-CZ 4.04Å; C70-F139 HydrophobicContact CB-CD1 4.07Å; C70-F139 HydrophobicContact CB-CD2 3.98Å; C70-F139 HydrophobicContact CB-CE1 3.75Å; C70-F139 HydrophobicContact CB-CE2 3.64Å; C70-F139 HydrophobicContact CB-CG 4.19Å; C70-F139 HydrophobicContact CB-CZ 3.52Å; C70-F139 WeakPolarHBondContact O-CE1 3.48Å; A72-F139 HydrophobicContact CB-CD1 3.95Å; A72-F139 HydrophobicContact CB-CE1 4.45Å; E137-F139 PolarHBondContact O-N 2.02Å; F139-N143 HydrophobicContact CB-CB 4.02Å; F139-N143 WeakPolarHBondContact O-CB 3.33Å; F139-N143 PolarHBondContact O-ND2 3.06Å; F139-C159 HydrophobicContact CB-CB 4.37Å; F139-C159 HydrophobicContact CD2-CB 3.97Å; F139-C159 HydrophobicContact CG-CB 4.29Å
140	Q	96.9	Very high	98.3	Very high	58 Å²	58	55.3 Å²	55.3	27%	0.271	28%	0.278	S	S	.	.	H	α-helix	trans	67.9	154.8	-177.1	-58.5	-71.2	-52.3	0	0	115.5	G142 N143	Q140-G142 VanDerWaalsContact C-N 3.3Å; Q140-G142 PolarHBondContact O-N 3.05Å; Q140-G142 VanDerWaalsContact O-N 3.15Å; Q140-N143 PolarHBondContact O-N 2.84Å; Q140-N143 VanDerWaalsContact O-N 3.11Å
141	L	97	Very high	98.2	Very high	65 Å²	65	59.8 Å²	59.8	34%	0.34	31%	0.31	S	S	.	.	H	α-helix	trans	-51.7	-38.8	-173.6	-179.4	60.3	0	0	0	115.1	W102 E137 N143 C144 T145	W102-L141 HydrophobicContact CH2-CB 4.34Å; W102-L141 HydrophobicContact CH2-CD2 3.78Å; W102-L141 HydrophobicContact CH2-CG 4.49Å; W102-L141 HydrophobicContact CZ2-CB 3.82Å; W102-L141 HydrophobicContact CZ2-CD2 4Å; W102-L141 HydrophobicContact CZ2-CG 4.44Å; E137-L141 VanDerWaalsContact OE1-CA 3.31Å; E137-L141 WeakPolarHBondContact OE1-CA 2.99Å; E137-L141 WeakPolarHBondContact OE1-CB 3.48Å; E137-L141 VanDerWaalsContact OE1-CD1 3.29Å; E137-L141 WeakPolarHBondContact OE1-CD1 3.45Å; L141-N143 VanDerWaalsContact C-N 3.32Å; L141-N143 PolarHBondContact O-N 3.39Å; L141-C144 PolarHBondContact O-N 3.39Å; L141-C144 VanDerWaalsContact O-N 3.14Å; L141-T145 WeakPolarHBondContact O-CB 3.29Å; L141-T145 PolarHBondContact O-N 2.83Å; L141-T145 PolarHBondContact O-OG1 3.2Å
142	G	97.1	Very high	98.2	Very high	40 Å²	40	64.8 Å²	64.8	41%	0.412	33%	0.333	S	S	.	.	H	α-helix	trans	-57.6	-44.5	179.4	0	0	0	0	0	112.7	Q140 C144 T145 F146	Q140-G142 VanDerWaalsContact C-N 3.3Å; Q140-G142 PolarHBondContact O-N 3.05Å; Q140-G142 VanDerWaalsContact O-N 3.15Å; G142-C144 VanDerWaalsContact C-N 3.28Å; G142-C144 PolarHBondContact O-N 2.75Å; G142-T145 PolarHBondContact O-N 3.15Å; G142-T145 VanDerWaalsContact O-N 3.12Å; G142-F146 PolarHBondContact O-N 2.9Å
143	N	98.3	Very high	98.1	Very high	39 Å²	39	68.4 Å²	68.4	21%	0.209	35%	0.351	C	S	.	.	H	α-helix	trans	-70.7	-23	179.4	-75.2	-34	0	0	0	113.4	F139 Q140 L141 H148 C159	F139-N143 HydrophobicContact CB-CB 4.02Å; F139-N143 WeakPolarHBondContact O-CB 3.33Å; F139-N143 PolarHBondContact O-ND2 3.06Å; Q140-N143 PolarHBondContact O-N 2.84Å; Q140-N143 VanDerWaalsContact O-N 3.11Å; L141-N143 VanDerWaalsContact C-N 3.32Å; L141-N143 PolarHBondContact O-N 3.39Å; N143-H148 PolarHBondContact OD1-CE1 2.77Å; N143-H148 VanDerWaalsContact OD1-CE1 3.28Å; N143-H148 PolarHBondContact OD1-NE2 3.17Å; N143-C159 HydrophobicContact CB-CB 4.1Å
144	C	98.2	Very high	98	Very high	36 Å²	36	74.3 Å²	74.3	24%	0.243	38%	0.384	C	S	.	.	H	α-helix	trans	-82.5	-17.5	172.5	-71.4	0	0	0	0	113.4	E137 L141 G142 N160	E137-C144 HydrophobicContact CG-CB 3.99Å; E137-C144 WeakPolarHBondContact CG-SG 3.42Å; L141-C144 PolarHBondContact O-N 3.39Å; L141-C144 VanDerWaalsContact O-N 3.14Å; G142-C144 VanDerWaalsContact C-N 3.28Å; G142-C144 PolarHBondContact O-N 2.75Å; C144-N160 HydrophobicContact CB-CB 4.39Å; C144-N160 VanDerWaalsContact SG-CA 3.51Å
145	T	98.4	Very high	98	Very high	64 Å²	64	75.7 Å²	75.7	39%	0.393	40%	0.401	S	S	.	.	H	α-helix	trans	-101.3	-41.3	-173.3	-53	0	0	0	0	112.1	L141 G142 W158	L141-T145 WeakPolarHBondContact O-CB 3.29Å; L141-T145 PolarHBondContact O-N 2.83Å; L141-T145 PolarHBondContact O-OG1 3.2Å; G142-T145 PolarHBondContact O-N 3.15Å; G142-T145 VanDerWaalsContact O-N 3.12Å; T145-W158 WeakPolarHBondContact O-CZ3 3.43Å
146	F	98.6	Very high	98	Very high	149 Å²	149	71.5 Å²	71.5	65%	0.654	39%	0.393	S	S	*	.	S	Bend	trans	-126.4	139.2	-178.1	-56.2	-65.4	0	0	0	111	G142	G142-F146 PolarHBondContact O-N 2.9Å
147	P	98.6	Very high	98	Very high	47 Å²	47	71.4 Å²	71.4	31%	0.305	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-78.1	166.1	177.9	31.5	-32.1	0	0	0	112.4	P156 F157 W158	P147-P156 HydrophobicContact CB-CB 3.6Å; P147-P156 HydrophobicContact CG-CB 3.68Å; P147-F157 WeakPolarHBondContact CA-O 3.35Å; P147-F157 WeakPolarHBondContact CB-O 3.05Å; P147-W158 HydrophobicContact CB-CD2 3.84Å; P147-W158 HydrophobicContact CB-CE3 4.33Å; P147-W158 HydrophobicContact CB-CG 4.21Å; P147-W158 HydrophobicContact CB-CH2 4.44Å; P147-W158 HydrophobicContact CB-CZ2 3.92Å; P147-W158 HydrophobicContact CG-CH2 4.28Å; P147-W158 HydrophobicContact CG-CZ2 3.81Å
148	H	98.4	Very high	98	Very high	56 Å²	56	74.5 Å²	74.5	26%	0.259	40%	0.404	S	S	.	.	B	Isolated β-bridge	trans	-90.6	144.4	166.6	-63.6	-90.5	0	0	0	110.8	Y69 N143 F157	Y69-H148 HydrophobicContact CE1-CB 3.92Å; Y69-H148 AromaticContact CE1-CG 3.74Å; Y69-H148 WeakPolarHBondContact OH-CB 3.31Å; Y69-H148 PolarHBondContact OH-ND1 3.32Å; N143-H148 PolarHBondContact OD1-CE1 2.77Å; N143-H148 VanDerWaalsContact OD1-CE1 3.28Å; N143-H148 PolarHBondContact OD1-NE2 3.17Å; H148-F157 PolarHBondContact N-O 3.26Å; H148-F157 PolarHBondContact O-N 3.42Å
149	L	98.5	Very high	98.1	Very high	148 Å²	148	73.6 Å²	73.6	78%	0.775	40%	0.399	S	S	*	.	P	Polyproline II helix	trans	-99.3	124.3	169.9	-59	-177.6	0	0	0	108.7	P156	L149-P156 HydrophobicContact CD2-CB 4.32Å
150	R	97.8	Very high	98.1	Very high	47 Å²	47	77 Å²	77	18%	0.177	42%	0.418	C	S	.	.			trans	-118.4	122.6	-178.6	-70	176.3	61.9	-179.5	-1.8	108.3	Y69 E152 M153 F157	Y69-R150 HydrophobicContact CE2-CG 4.17Å; R150-E152 IonicContact CZ-OE1 2.77Å; R150-E152 IonicContact NE-OE1 3.64Å; R150-E152 PolarHBondContact NE-OE1 3.35Å; R150-E152 IonicContact NH2-OE1 2.83Å; R150-E152 PolarHBondContact NH2-OE1 2.95Å; R150-E152 PolarHBondContact O-N 3.2Å; R150-E152 VanDerWaalsContact O-N 3.13Å; R150-M153 HydrophobicContact CB-CB 4.31Å; R150-M153 HydrophobicContact CB-CG 4.3Å; R150-M153 HydrophobicContact CB-SD 4.48Å; R150-M153 PolarHBondContact O-N 2.73Å; R150-M153 VanDerWaalsContact O-O 3.06Å; R150-F157 HydrophobicContact CG-CB 4.37Å
151	P	97.3	Very high	98.2	Very high	136 Å²	136	76 Å²	76	88%	0.883	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-22.8	-174.7	25	-34.8	0	0	0	113.5
152	E	97.8	Very high	98.2	Very high	121 Å²	121	73.5 Å²	73.5	57%	0.565	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	3.1	178	73.5	-79.5	-169.6	0	0	114.5	R150	R150-E152 IonicContact CZ-OE1 2.77Å; R150-E152 IonicContact NE-OE1 3.64Å; R150-E152 PolarHBondContact NE-OE1 3.35Å; R150-E152 IonicContact NH2-OE1 2.83Å; R150-E152 PolarHBondContact NH2-OE1 2.95Å; R150-E152 PolarHBondContact O-N 3.2Å; R150-E152 VanDerWaalsContact O-N 3.13Å
153	M	97.4	Very high	98.3	Very high	77 Å²	77	71.7 Å²	71.7	38%	0.379	38%	0.384	S	S	.	.			trans	-132.2	134.2	-179.9	-61.9	-175	66.2	0	0	111.8	R150 F157	R150-M153 HydrophobicContact CB-CB 4.31Å; R150-M153 HydrophobicContact CB-CG 4.3Å; R150-M153 HydrophobicContact CB-SD 4.48Å; R150-M153 PolarHBondContact O-N 2.73Å; R150-M153 VanDerWaalsContact O-O 3.06Å; M153-F157 HydrophobicContact CE-CD2 3.9Å; M153-F157 HydrophobicContact SD-CB 4.37Å; M153-F157 HydrophobicContact SD-CD2 3.77Å; M153-F157 HydrophobicContact SD-CG 4.4Å
154	D	98.1	Very high	98.3	Very high	182 Å²	182	72.9 Å²	72.9	97%	0.973	40%	0.4	S	S	*	.	S	Bend	trans	-70	-34.6	175.2	-63.6	-34.7	0	0	0	112.4
155	A	98.3	Very high	98.3	Very high	59 Å²	59	71.2 Å²	71.2	49%	0.488	39%	0.389	S	S	.	.	S	Bend	trans	-94.5	144.9	-177.3	0	0	0	0	0	111.9
156	P	98.4	Very high	98.3	Very high	66 Å²	66	69.1 Å²	69.1	43%	0.429	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-61.1	137.1	172.6	24.3	-32.3	0	0	0	111.5	P147 L149	P147-P156 HydrophobicContact CB-CB 3.6Å; P147-P156 HydrophobicContact CG-CB 3.68Å; L149-P156 HydrophobicContact CD2-CB 4.32Å
157	F	98.6	Very high	98.4	Very high	32 Å²	32	63.8 Å²	63.8	14%	0.14	35%	0.351	C	S	.	.	B	Isolated β-bridge	trans	-99.7	135	-175.6	-171.8	-93.9	0	0	0	111.6	D67 Y69 P147 H148 R150 M153	D67-F157 HydrophobicContact CB-CE1 4.45Å; D67-F157 HydrophobicContact CB-CZ 3.72Å; Y69-F157 AromaticContact CD1-CD1 3.59Å; Y69-F157 HydrophobicContact CD1-CD1 3.59Å; Y69-F157 AromaticContact CD1-CE1 3.51Å; Y69-F157 HydrophobicContact CD1-CE1 3.51Å; Y69-F157 AromaticContact CE1-CD1 3.9Å; Y69-F157 HydrophobicContact CE1-CD1 3.9Å; Y69-F157 HydrophobicContact CE1-CE1 4.28Å; Y69-F157 HydrophobicContact CG-CD1 4.4Å; Y69-F157 HydrophobicContact CG-CE1 4.15Å; P147-F157 WeakPolarHBondContact CA-O 3.35Å; P147-F157 WeakPolarHBondContact CB-O 3.05Å; H148-F157 PolarHBondContact N-O 3.26Å; H148-F157 PolarHBondContact O-N 3.42Å; R150-F157 HydrophobicContact CG-CB 4.37Å; M153-F157 HydrophobicContact CE-CD2 3.9Å; M153-F157 HydrophobicContact SD-CB 4.37Å; M153-F157 HydrophobicContact SD-CD2 3.77Å; M153-F157 HydrophobicContact SD-CG 4.4Å
158	W	98.7	Very high	98.4	Very high	103 Å²	103	66.5 Å²	66.5	39%	0.39	36%	0.359	S	S	.	.			trans	-115.7	133.8	-173.7	-68.5	84.2	0	0	0	112.5	T145 P147 N160	T145-W158 WeakPolarHBondContact O-CZ3 3.43Å; P147-W158 HydrophobicContact CB-CD2 3.84Å; P147-W158 HydrophobicContact CB-CE3 4.33Å; P147-W158 HydrophobicContact CB-CG 4.21Å; P147-W158 HydrophobicContact CB-CH2 4.44Å; P147-W158 HydrophobicContact CB-CZ2 3.92Å; P147-W158 HydrophobicContact CG-CH2 4.28Å; P147-W158 HydrophobicContact CG-CZ2 3.81Å; W158-N160 HydrophobicContact CB-CB 4.32Å; W158-N160 HydrophobicContact CE3-CB 4.16Å
159	C	98.6	Very high	98.4	Very high	3 Å²	3	65 Å²	65	2%	0.02	36%	0.36	C	S	.	.			trans	-111.2	56.7	168.9	-67.4	0	0	0	0	109.7	C70 F139 N143	C70-C159 WeakPolarHBondContact CA-SG 3.12Å; C70-C159 HydrophobicContact CB-CB 3.8Å; C70-C159 WeakPolarHBondContact CB-SG 3.31Å; C70-C159 VanDerWaalsContact SG-CA 3.55Å; C70-C159 WeakPolarHBondContact SG-CB 3.25Å; C70-C159 CovalentContact SG-SG 2.04Å; C70-C159 PolarHBondContact SG-SG 2.75Å; F139-C159 HydrophobicContact CB-CB 4.37Å; F139-C159 HydrophobicContact CD2-CB 3.97Å; F139-C159 HydrophobicContact CG-CB 4.29Å; N143-C159 HydrophobicContact CB-CB 4.1Å
160	N	98.6	Very high	98.4	Very high	88 Å²	88	59 Å²	59	47%	0.471	33%	0.328	S	S	.	.			trans	-105.1	25.7	-165.4	66.1	-16.4	0	0	0	114.5	C144 W158	C144-N160 HydrophobicContact CB-CB 4.39Å; C144-N160 VanDerWaalsContact SG-CA 3.51Å; W158-N160 HydrophobicContact CB-CB 4.32Å; W158-N160 HydrophobicContact CE3-CB 4.16Å
161	Q	98.7	Very high	98.4	Very high	38 Å²	38	61.2 Å²	61.2	18%	0.178	34%	0.343	C	S	.	.			trans	-76.8	134.6	177.7	-65.1	-165.4	24.5	0	0	110.9	P64 L138	P64-Q161 PolarHBondContact O-NE2 3.48Å; P64-Q161 PolarHBondContact O-OE1 3.35Å; L138-Q161 HydrophobicContact CD1-CB 4.38Å; L138-Q161 HydrophobicContact CD2-CB 4.08Å; L138-Q161 PolarHBondContact N-O 2.94Å
162	G	98.4	Very high	98.4	Very high	13 Å²	13	58.1 Å²	58.1	13%	0.134	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	156.7	167.4	0	0	0	0	0	112	R63 W135 Y136	R63-G162 PolarHBondContact NH2-O 3.27Å; R63-G162 VanDerWaalsContact NH2-O 3.16Å; W135-G162 VanDerWaalsContact CZ2-C 3.48Å; W135-G162 VanDerWaalsContact CZ2-CA 3.49Å; Y136-G162 VanDerWaalsContact O-CA 3.24Å; Y136-G162 WeakPolarHBondContact O-CA 3.47Å
163	A	98.5	Very high	98.3	Very high	1 Å²	1	56.8 Å²	56.8	1%	0.008	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	159.6	-175.2	0	0	0	0	0	112.6	R63 F76 W135 Y136 L138	R63-A163 VanDerWaalsContact CZ-CB 3.43Å; R63-A163 VanDerWaalsContact NH1-CB 3.33Å; R63-A163 VanDerWaalsContact NH2-CA 3.29Å; F76-A163 HydrophobicContact CE1-CB 3.96Å; F76-A163 HydrophobicContact CE2-CB 4.24Å; F76-A163 HydrophobicContact CZ-CB 3.53Å; W135-A163 WeakPolarHBondContact CA-O 3.32Å; Y136-A163 PolarHBondContact N-O 3.15Å; Y136-A163 VanDerWaalsContact N-O 3.16Å; Y136-A163 PolarHBondContact O-N 2.88Å; L138-A163 HydrophobicContact CD1-CB 3.56Å
164	A	98.6	Very high	98.3	Very high	64 Å²	64	55.9 Å²	55.9	53%	0.529	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	142.5	167.7	0	0	0	0	0	110.2	E134	E134-A164 CarbonylContact O-C 3.5Å; E134-A164 VanDerWaalsContact O-CA 3.27Å; E134-A164 WeakPolarHBondContact O-CA 3.24Å
165	C	98.8	Very high	98.2	Very high	2 Å²	2	47.6 Å²	47.6	1%	0.014	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	134.9	169.1	-179.5	0	0	0	0	108	F76 C77 M133 E134 Y136	F76-C165 HydrophobicContact CZ-CB 4.15Å; C77-C165 WeakPolarHBondContact CA-SG 3.33Å; C77-C165 HydrophobicContact CB-CB 3.66Å; C77-C165 WeakPolarHBondContact CB-SG 3.28Å; C77-C165 WeakPolarHBondContact SG-CA 3.48Å; C77-C165 WeakPolarHBondContact SG-CB 3.48Å; C77-C165 CovalentContact SG-SG 2.02Å; C77-C165 PolarHBondContact SG-SG 2.98Å; M133-C165 WeakPolarHBondContact CA-O 3.32Å; E134-C165 HydrophobicContact CG-CB 3.81Å; E134-C165 PolarHBondContact N-O 3.23Å; E134-C165 PolarHBondContact O-N 3.16Å; Y136-C165 HydrophobicContact CE1-CB 3.72Å
166	F	98.8	Very high	98.1	Very high	20 Å²	20	50.2 Å²	50.2	9%	0.088	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	131.7	177	-177.7	-85.8	0	0	0	108	G80 S81 I83 F122 Y131 T132 M133	G80-F166 CarbonylContact C-O 3.55Å; G80-F166 WeakPolarHBondContact CA-O 3.35Å; S81-F166 PolarHBondContact N-O 3.12Å; I83-F166 HydrophobicContact CB-CD1 4.48Å; I83-F166 HydrophobicContact CD1-CD2 4.49Å; I83-F166 HydrophobicContact CG1-CB 4.04Å; I83-F166 HydrophobicContact CG1-CD1 3.94Å; I83-F166 HydrophobicContact CG1-CD2 3.99Å; I83-F166 HydrophobicContact CG1-CE1 4.41Å; I83-F166 HydrophobicContact CG1-CE2 4.44Å; I83-F166 HydrophobicContact CG1-CG 3.72Å; I83-F166 HydrophobicContact CG2-CE2 4.44Å; I83-F166 HydrophobicContact CG2-CZ 4.35Å; F122-F166 HydrophobicContact CD2-CE2 4.37Å; Y131-F166 VanDerWaalsContact CB-CZ 3.41Å; Y131-F166 AromaticContact CD1-CE1 3.46Å; Y131-F166 HydrophobicContact CD1-CE1 3.46Å; Y131-F166 VanDerWaalsContact CD1-CE1 3.46Å; Y131-F166 AromaticContact CD1-CZ 3.52Å; Y131-F166 HydrophobicContact CD1-CZ 3.52Å; Y131-F166 HydrophobicContact CD2-CZ 4.25Å; Y131-F166 HydrophobicContact CE1-CE1 4.16Å; Y131-F166 HydrophobicContact CE1-CZ 4.36Å; Y131-F166 AromaticContact CG-CE1 3.92Å; Y131-F166 HydrophobicContact CG-CE1 3.92Å; Y131-F166 HydrophobicContact CG-CE2 4.32Å; Y131-F166 AromaticContact CG-CZ 3.45Å; Y131-F166 HydrophobicContact CG-CZ 3.45Å; Y131-F166 VanDerWaalsContact CG-CZ 3.45Å; T132-F166 WeakPolarHBondContact O-CA 3.46Å; M133-F166 HydrophobicContact CB-CD2 3.97Å; M133-F166 HydrophobicContact CG-CD2 4.21Å; M133-F166 HydrophobicContact SD-CD2 4.45Å
167	F	98.8	Very high	97.8	Very high	37 Å²	37	53.4 Å²	53.4	16%	0.162	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	159.6	179.9	55.9	-87.7	0	0	0	111.8	T79 Y131 T132 E134	T79-F167 VanDerWaalsContact O-CB 3.28Å; T79-F167 WeakPolarHBondContact O-CB 3.37Å; Y131-F167 CarbonylContact C-O 3.41Å; Y131-F167 VanDerWaalsContact CA-O 3.24Å; Y131-F167 WeakPolarHBondContact CA-O 3.4Å; Y131-F167 WeakPolarHBondContact CB-O 3.05Å; T132-F167 VanDerWaalsContact CB-CZ 3.5Å; T132-F167 HydrophobicContact CG2-CE1 4.01Å; T132-F167 HydrophobicContact CG2-CE2 4.19Å; T132-F167 HydrophobicContact CG2-CZ 3.58Å; T132-F167 PolarHBondContact N-O 3.42Å; T132-F167 PolarHBondContact O-N 3.06Å; E134-F167 HydrophobicContact CG-CE1 4.29Å; E134-F167 WeakPolarHBondContact OE1-CE1 3.36Å
168	E	98.6	Very high	97.5	Very high	103 Å²	103	54.7 Å²	54.7	48%	0.481	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	139.9	176.2	-171.8	169.5	167.7	0	0	110.6	K129 Y131	K129-E168 WeakPolarHBondContact CD-OE1 3.34Å; K129-E168 WeakPolarHBondContact CE-OE1 3.26Å; K129-E168 VanDerWaalsContact NZ-CD 3.31Å; K129-E168 IonicContact NZ-OE1 3.36Å; K129-E168 PolarHBondContact NZ-OE1 3.29Å; K129-E168 IonicContact NZ-OE2 3.73Å; K129-E168 PolarHBondContact NZ-OE2 3.39Å; Y131-E168 HydrophobicContact CD1-CB 4.09Å; Y131-E168 HydrophobicContact CD1-CG 4.37Å; Y131-E168 HydrophobicContact CE1-CB 4.07Å; Y131-E168 HydrophobicContact CE1-CG 4.09Å
169	G	98.6	Very high	97.3	Very high	26 Å²	26	50.9 Å²	50.9	27%	0.268	28%	0.28	S	S	.	.			trans	102.2	139.6	-177.4	0	0	0	0	0	113.6	N130 T132	N130-G169 PolarHBondContact O-N 3.16Å; N130-G169 VanDerWaalsContact OD1-C 3.25Å; N130-G169 WeakPolarHBondContact OD1-CA 3.4Å; T132-G169 PolarHBondContact N-O 3.4Å; T132-G169 PolarHBondContact OG1-O 3.34Å
170	I	98.6	Very high	97.2	Very high	21 Å²	21	53.2 Å²	53.2	11%	0.108	29%	0.294	C	S	.	.			trans	-113.3	120.3	160.7	-61.6	176.6	0	0	0	106.3	F95 L97 N130 D172 L181	F95-I170 HydrophobicContact CD2-CD1 4.16Å; L97-I170 HydrophobicContact CD2-CG2 4.29Å; N130-I170 HydrophobicContact CB-CD1 3.87Å; N130-I170 HydrophobicContact CB-CG1 3.99Å; N130-I170 PolarHBondContact OD1-N 3.14Å; I170-D172 PolarHBondContact O-N 3.37Å; I170-D172 VanDerWaalsContact O-N 3.15Å; I170-L181 HydrophobicContact CG2-CD1 3.8Å
171	D	98	Very high	97.2	Very high	94 Å²	94	50.9 Å²	50.9	50%	0.503	28%	0.281	S	S	.	.			trans	-80.7	89.6	174.1	-173.7	-18.2	0	0	0	109.9	V173 H174 W175	D171-V173 PolarHBondContact O-N 2.89Å; D171-V173 PolarHBondContact OD1-N 2.98Å; D171-V173 VanDerWaalsContact OD1-N 3.16Å; D171-H174 HydrophobicContact CB-CB 3.93Å; D171-H174 PolarHBondContact O-N 3.11Å; D171-H174 PolarHBondContact OD1-N 3.21Å; D171-W175 PolarHBondContact O-N 2.96Å
172	D	97.9	Very high	97.2	Very high	70 Å²	70	52.2 Å²	52.2	37%	0.374	29%	0.292	S	S	.	.	H	α-helix	trans	-51.9	-36.8	-179.3	-87.2	49.4	0	0	0	113.5	I170 K176	I170-D172 PolarHBondContact O-N 3.37Å; I170-D172 VanDerWaalsContact O-N 3.15Å; D172-K176 HydrophobicContact CB-CD 4.39Å; D172-K176 WeakPolarHBondContact O-CB 3.06Å; D172-K176 VanDerWaalsContact O-CG 3.24Å; D172-K176 WeakPolarHBondContact O-CG 3.43Å; D172-K176 PolarHBondContact O-N 3.15Å; D172-K176 IonicContact OD2-NZ 2.97Å; D172-K176 PolarHBondContact OD2-NZ 2.9Å
173	V	96.2	Very high	97.2	Very high	94 Å²	94	55.8 Å²	55.8	57%	0.57	31%	0.305	S	S	*	.	H	α-helix	trans	-68.2	-50.2	-178	176.8	0	0	0	0	109.4	D171 W175 K176 E177	D171-V173 PolarHBondContact O-N 2.89Å; D171-V173 PolarHBondContact OD1-N 2.98Å; D171-V173 VanDerWaalsContact OD1-N 3.16Å; V173-W175 VanDerWaalsContact C-N 3.26Å; V173-W175 PolarHBondContact O-N 2.85Å; V173-K176 PolarHBondContact O-N 3.42Å; V173-E177 WeakPolarHBondContact O-CB 3.43Å; V173-E177 PolarHBondContact O-N 2.04Å
174	H	96.1	Very high	97.2	Very high	58 Å²	58	60 Å²	60	27%	0.269	33%	0.331	S	S	.	.	H	α-helix	trans	-53.7	-42.7	179.3	179.3	51.8	0	0	0	112.7	E103 D171	E103-H174 IonicContact OE1-ND1 2.7Å; D171-H174 HydrophobicContact CB-CB 3.93Å; D171-H174 PolarHBondContact O-N 3.11Å; D171-H174 PolarHBondContact OD1-N 3.21Å
175	W	97.1	Very high	97.2	Very high	7 Å²	7	59 Å²	59	3%	0.027	32%	0.322	C	S	.	.	H	α-helix	trans	-85.3	-23	-176.8	-56	115.8	0	0	0	114.2	L97 A99 H117 A119 T132 D171 V173 G179 T180 L181	L97-W175 HydrophobicContact CB-CD2 3.72Å; L97-W175 HydrophobicContact CB-CE3 3.73Å; L97-W175 HydrophobicContact CB-CG 4.24Å; L97-W175 HydrophobicContact CB-CH2 4.24Å; L97-W175 HydrophobicContact CB-CZ2 4.24Å; L97-W175 HydrophobicContact CB-CZ3 3.99Å; L97-W175 HydrophobicContact CD1-CD2 4.33Å; L97-W175 HydrophobicContact CD1-CZ2 4.11Å; L97-W175 HydrophobicContact CD2-CB 4.41Å; L97-W175 HydrophobicContact CD2-CD2 4.38Å; L97-W175 HydrophobicContact CD2-CG 4.03Å; L97-W175 HydrophobicContact CG-CD2 4.37Å; A99-W175 HydrophobicContact CB-CE3 3.62Å; A99-W175 HydrophobicContact CB-CZ3 3.77Å; H117-W175 AromaticContact CD2-CH2 3.81Å; A119-W175 HydrophobicContact CB-CH2 3.56Å; A119-W175 HydrophobicContact CB-CZ2 3.93Å; A119-W175 HydrophobicContact CB-CZ3 4.29Å; T132-W175 HydrophobicContact CG2-CZ2 4.08Å; D171-W175 PolarHBondContact O-N 2.96Å; V173-W175 VanDerWaalsContact C-N 3.26Å; V173-W175 PolarHBondContact O-N 2.85Å; W175-G179 CarbonylContact O-C 3.59Å; W175-G179 VanDerWaalsContact O-CA 3.26Å; W175-G179 WeakPolarHBondContact O-CA 3.47Å; W175-T180 CarbonylContact O-C 3.12Å; W175-T180 PolarHBondContact O-N 3.4Å; W175-L181 HydrophobicContact CB-CB 3.96Å; W175-L181 HydrophobicContact CB-CD1 4.06Å; W175-L181 HydrophobicContact CB-CG 4.48Å
176	K	95.6	Very high	97.2	Very high	115 Å²	115	62.5 Å²	62.5	50%	0.5	34%	0.344	S	S	.	.	H	α-helix	trans	-98.7	-28.8	-175.6	-70.6	173.3	173.1	165.8	0	114.3	D172 V173 L181	D172-K176 HydrophobicContact CB-CD 4.39Å; D172-K176 WeakPolarHBondContact O-CB 3.06Å; D172-K176 VanDerWaalsContact O-CG 3.24Å; D172-K176 WeakPolarHBondContact O-CG 3.43Å; D172-K176 PolarHBondContact O-N 3.15Å; D172-K176 IonicContact OD2-NZ 2.97Å; D172-K176 PolarHBondContact OD2-NZ 2.9Å; V173-K176 PolarHBondContact O-N 3.42Å; K176-L181 HydrophobicContact CG-CB 3.86Å; K176-L181 HydrophobicContact CG-CD1 4.4Å
177	E	92.4	Very high	97.2	Very high	132 Å²	132	63.4 Å²	63.4	62%	0.617	35%	0.349	S	S	*	.	S	Bend	trans	-62	-53.2	-172.1	-173.5	171	-179.7	0	0	111.7	V173	V173-E177 WeakPolarHBondContact O-CB 3.43Å; V173-E177 PolarHBondContact O-N 2.04Å
178	N	92.3	Very high	97.1	Very high	59 Å²	59	64.2 Å²	64.2	32%	0.316	36%	0.359	S	S	.	.	S	Bend	trans	-124.4	16.2	-178.6	-59	-52.1	0	0	0	113	P100 E103	P100-N178 HydrophobicContact CG-CB 3.69Å; E103-N178 PolarHBondContact OE2-ND2 2.8Å
179	G	93.8	Very high	97.1	Very high	24 Å²	24	60 Å²	60	25%	0.247	34%	0.343	C	S	.	.	S	Bend	trans	-133.4	-150	-162.9	0	0	0	0	0	115	Q98 W175	Q98-G179 CarbonylContact O-C 3.56Å; Q98-G179 WeakPolarHBondContact O-CA 3.47Å; W175-G179 CarbonylContact O-C 3.59Å; W175-G179 VanDerWaalsContact O-CA 3.26Å; W175-G179 WeakPolarHBondContact O-CA 3.47Å
180	T	96.8	Very high	96.9	Very high	51 Å²	51	67.2 Å²	67.2	31%	0.313	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	128.9	173.2	-60.3	0	0	0	0	110.1	L97 Q98 W175 V182	L97-T180 CarbonylContact C-O 3.51Å; L97-T180 WeakPolarHBondContact CA-O 3.42Å; Q98-T180 PolarHBondContact N-O 3.28Å; Q98-T180 PolarHBondContact O-N 2.69Å; W175-T180 CarbonylContact O-C 3.12Å; W175-T180 PolarHBondContact O-N 3.4Å; T180-V182 HydrophobicContact CG2-CB 4.24Å; T180-V182 HydrophobicContact CG2-CG1 3.8Å
181	L	98.6	Very high	96.4	Very high	39 Å²	39	74.3 Å²	74.3	20%	0.204	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	110	165.4	-174.3	160.4	0	0	0	107.3	F95 L97 I170 W175 K176	F95-L181 HydrophobicContact CD1-CD2 3.81Å; F95-L181 HydrophobicContact CE1-CD2 4.21Å; L97-L181 HydrophobicContact CD2-CB 4.27Å; L97-L181 HydrophobicContact CD2-CD1 4.07Å; L97-L181 HydrophobicContact CD2-CG 3.72Å; I170-L181 HydrophobicContact CG2-CD1 3.8Å; W175-L181 HydrophobicContact CB-CB 3.96Å; W175-L181 HydrophobicContact CB-CD1 4.06Å; W175-L181 HydrophobicContact CB-CG 4.48Å; K176-L181 HydrophobicContact CG-CB 3.86Å; K176-L181 HydrophobicContact CG-CD1 4.4Å
182	V	98.6	Very high	96.3	Very high	67 Å²	67	73.4 Å²	73.4	41%	0.406	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	133.9	-178	65.1	0	0	0	0	110.8	F95 R96 T180 V184	F95-V182 CarbonylContact C-O 3.57Å; F95-V182 VanDerWaalsContact CA-O 3.3Å; F95-V182 WeakPolarHBondContact CA-O 3.14Å; R96-V182 HydrophobicContact CB-CG1 4.05Å; R96-V182 PolarHBondContact N-O 2.89Å; R96-V182 PolarHBondContact O-N 2.9Å; R96-V182 VanDerWaalsContact O-N 3.16Å; T180-V182 HydrophobicContact CG2-CB 4.24Å; T180-V182 HydrophobicContact CG2-CG1 3.8Å; V182-V184 HydrophobicContact CG1-CG1 4.14Å; V182-V184 PolarHBondContact O-N 3.13Å
183	Q	98.6	Very high	96.2	Very high	88 Å²	88	73.5 Å²	73.5	41%	0.411	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	130.1	171.9	-173	-177.5	-12	0	0	109.1	E93 V94 F95 A185 T186	E93-Q183 HydrophobicContact CB-CG 4.44Å; E93-Q183 PolarHBondContact OE2-OE1 2.73Å; V94-Q183 CarbonylContact O-C 3.52Å; V94-Q183 WeakPolarHBondContact O-CA 3.48Å; F95-Q183 HydrophobicContact CD1-CB 3.96Å; F95-Q183 HydrophobicContact CE1-CB 3.78Å; F95-Q183 HydrophobicContact CE1-CG 4.39Å; F95-Q183 HydrophobicContact CZ-CB 4.47Å; Q183-A185 PolarHBondContact NE2-O 2.85Å; Q183-T186 PolarHBondContact NE2-OG1 2.82Å
184	V	98.8	Very high	96.2	Very high	90 Å²	90	72.4 Å²	72.4	55%	0.545	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	-20.4	-177.9	-65.5	0	0	0	0	113	V94 R96 V182	V94-V184 HydrophobicContact CG1-CG2 4.23Å; V94-V184 WeakPolarHBondContact O-CG2 3.24Å; V94-V184 PolarHBondContact O-N 3.04Å; R96-V184 HydrophobicContact CB-CG1 3.65Å; V182-V184 HydrophobicContact CG1-CG1 4.14Å; V182-V184 PolarHBondContact O-N 3.13Å
185	A	98.6	Very high	96.2	Very high	41 Å²	41	73.2 Å²	73.2	34%	0.339	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	170	177	0	0	0	0	0	111.6	V94 Q183	V94-A185 HydrophobicContact CB-CB 4.21Å; V94-A185 HydrophobicContact CG2-CB 4.49Å; V94-A185 PolarHBondContact N-O 2.77Å; V94-A185 PolarHBondContact O-N 2.71Å; Q183-A185 PolarHBondContact NE2-O 2.85Å
186	T	98.6	Very high	96.2	Very high	77 Å²	77	77.4 Å²	77.4	47%	0.472	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	130.1	160.2	-56.9	0	0	0	0	106.9	D91 I92 Q183	D91-T186 HydrophobicContact CB-CG2 3.96Å; I92-T186 CarbonylContact O-C 3.56Å; I92-T186 WeakPolarHBondContact O-CA 3.45Å; Q183-T186 PolarHBondContact NE2-OG1 2.82Å
187	I	98.5	Very high	96.2	Very high	39 Å²	39	74.9 Å²	74.9	20%	0.2	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	157.4	-178.9	67.6	175.1	0	0	0	109.7	I92 V94 L191	I92-I187 HydrophobicContact CB-CG1 3.83Å; I92-I187 HydrophobicContact CG1-CG1 4.5Å; I92-I187 HydrophobicContact CG2-CG1 4.42Å; I92-I187 PolarHBondContact N-O 2.88Å; I92-I187 PolarHBondContact O-N 3.39Å; V94-I187 HydrophobicContact CG2-CD1 3.92Å; V94-I187 HydrophobicContact CG2-CG1 3.88Å; V94-I187 HydrophobicContact CG2-CG2 4.06Å; I187-L191 HydrophobicContact CB-CB 4.4Å; I187-L191 HydrophobicContact CB-CD2 3.79Å; I187-L191 HydrophobicContact CD1-CB 4.48Å; I187-L191 HydrophobicContact CD1-CD2 4.31Å; I187-L191 HydrophobicContact CG2-CD2 3.7Å
188	S	97.9	Very high	96.5	Very high	53 Å²	53	70.8 Å²	70.8	37%	0.371	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	153.6	170.9	65.1	0	0	0	0	110.9	D90 K190 L191	D90-S188 CarbonylContact O-C 3.4Å; D90-S188 VanDerWaalsContact O-CA 3.24Å; D90-S188 WeakPolarHBondContact O-CA 3.19Å; S188-K190 PolarHBondContact O-N 3.4Å; S188-L191 PolarHBondContact O-N 3.17Å
189	G	96.7	Very high	96.8	Very high	14 Å²	14	71.7 Å²	71.7	14%	0.144	41%	0.409	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-10.2	176.1	0	0	0	0	0	114.8	E87 D90	E87-G189 WeakPolarHBondContact O-CA 3.38Å; D90-G189 PolarHBondContact O-N 3.08Å
190	K	96.1	Very high	97.1	Very high	179 Å²	179	75.7 Å²	75.7	78%	0.778	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-26.7	172.8	-177.1	176	176.9	-177.8	0	114	S188	S188-K190 PolarHBondContact O-N 3.4Å
191	L	86.8	Confident	97.1	Very high	170 Å²	170	77.9 Å²	77.9	89%	0.89	43%	0.433	S	S	*	.			trans	-76.5	0	-176.5	-173.8	72	0	0	0	111.3	I187 S188	I187-L191 HydrophobicContact CB-CB 4.4Å; I187-L191 HydrophobicContact CB-CD2 3.79Å; I187-L191 HydrophobicContact CD1-CB 4.48Å; I187-L191 HydrophobicContact CD1-CD2 4.31Å; I187-L191 HydrophobicContact CG2-CD2 3.7Å; S188-L191 PolarHBondContact O-N 3.17Å

Retrieved 191 of 191 residues in 302.8 ms (Link to these results)

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