A0A2K5N812_CERAT Loading...

NADH dehydrogenase [ubiquinone] 1 alpha subcomplex assembly factor 3

Essential factor for the assembly of mitochondrial NADH:ubiquinone oxidoreductase complex (complex I).

AlphaFold DB , UniProt , Accession A0A2K5N812, Species CERAT (Cercocebus atys, Sooty mangabey), Gene NDUFAF3, Length 184 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	40.3	Very low	42.8	Very low	244 Å²	244	157.8 Å²	157.8	100%	1.202	87%	0.865	S	S	*	*				0	132.6	0	-84.1	-169.1	153.4	0	0	108
2	A	38	Very low	43	Very low	94 Å²	94	164.8 Å²	164.8	78%	0.777	87%	0.869	S	S	*	*			trans	67.6	136.5	177.2	0	0	0	0	0	114.9
3	T	36.3	Very low	43.2	Very low	136 Å²	136	159.4 Å²	159.4	83%	0.834	86%	0.862	S	S	*	*			cis	-164.8	146.6	17.6	2.9	0	0	0	0	109.8
4	A	40.4	Very low	43.7	Very low	97 Å²	97	164.7 Å²	164.7	80%	0.802	86%	0.864	S	S	*	*			trans	-70.9	140.5	170.2	0	0	0	0	0	111.5
5	L	44.3	Very low	43.9	Very low	164 Å²	164	161.9 Å²	161.9	86%	0.859	86%	0.859	S	S	*	*			trans	-134.4	100.3	162.4	-92.2	159.5	0	0	0	108.7
6	A	47.8	Very low	44.4	Very low	98 Å²	98	157.9 Å²	157.9	81%	0.81	85%	0.848	S	S	*	*			trans	-77.7	113.8	172.4	0	0	0	0	0	109.4
7	L	45.5	Very low	44.7	Very low	164 Å²	164	158.8 Å²	158.8	86%	0.859	85%	0.852	S	S	*	*			trans	-98.1	96.7	171.1	-91.3	152.9	0	0	0	109.5	S9	L7-S9 PolarHBondContact O-N 2.98Å
8	R	42.9	Very low	44.8	Very low	247 Å²	247	162.7 Å²	162.7	93%	0.932	85%	0.852	S	S	*	*			trans	-71.1	114.7	160.1	-74.8	177.6	166.7	-133	-1.6	107.7
9	S	44.3	Very low	44.8	Very low	92 Å²	92	160.2 Å²	160.2	64%	0.643	85%	0.849	S	S	*	*			trans	-126.6	131.4	164.6	65.5	0	0	0	0	110.1	L7 Y11	L7-S9 PolarHBondContact O-N 2.98Å; S9-Y11 PolarHBondContact O-N 3.17Å
10	L	48	Very low	45.2	Very low	176 Å²	176	157.6 Å²	157.6	92%	0.921	84%	0.841	S	S	*	*			trans	-78.2	109	-166.1	-67.2	152.8	0	0	0	110.1	R12	L10-R12 PolarHBondContact O-N 3.14Å
11	Y	42.7	Very low	45.5	Very low	224 Å²	224	155.5 Å²	155.5	88%	0.878	84%	0.836	S	S	*	*			trans	-79.5	104.1	166.9	-84.5	-86.3	0	0	0	109.6	S9 A13	S9-Y11 PolarHBondContact O-N 3.17Å; Y11-A13 PolarHBondContact O-N 2.93Å
12	R	45.5	Very low	46.3	Very low	242 Å²	242	149.8 Å²	149.8	91%	0.913	82%	0.815	S	S	*	*			trans	-66.9	112	173.4	-153.9	176.4	-173	-171.4	1.9	108.6	L10	L10-R12 PolarHBondContact O-N 3.14Å
13	A	45.8	Very low	47.2	Very low	94 Å²	94	154 Å²	154	78%	0.777	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-63.5	131.6	178	0	0	0	0	0	111.3	Y11	Y11-A13 PolarHBondContact O-N 2.93Å
14	R	49.6	Very low	48.2	Very low	234 Å²	234	153.2 Å²	153.2	88%	0.883	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-78.5	129.7	168.1	-73	-177.8	171.8	-176.6	-2.5	108.8	S16	R14-S16 PolarHBondContact O-N 2.88Å
15	P	46.4	Very low	48.8	Very low	123 Å²	123	154.9 Å²	154.9	80%	0.799	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-69.7	120.1	171.7	27.2	-29.4	0	0	0	108.9	L17	P15-L17 PolarHBondContact O-N 3.23Å
16	S	53.1	Low	49.3	Very low	98 Å²	98	155.5 Å²	155.5	69%	0.685	80%	0.802	S	S	*	*			trans	-76.5	114	168.8	36.4	0	0	0	0	107.9	R14 R18	R14-S16 PolarHBondContact O-N 2.88Å; S16-R18 VanDerWaalsContact C-N 3.32Å; S16-R18 PolarHBondContact O-N 3.35Å
17	L	48.7	Very low	49.8	Very low	173 Å²	173	154.6 Å²	154.6	91%	0.906	80%	0.795	S	S	*	*			trans	-66.6	95.2	166.3	-72.3	164.6	0	0	0	107.5	P15 C19	P15-L17 PolarHBondContact O-N 3.23Å; L17-C19 PolarHBondContact O-N 2.9Å
18	R	46.2	Very low	50.1	Low	228 Å²	228	151.7 Å²	151.7	86%	0.86	79%	0.786	S	S	*	*			trans	-80.3	107	165.6	-76.7	-174.5	179.7	-144.8	-0.3	107.5	S16	S16-R18 VanDerWaalsContact C-N 3.32Å; S16-R18 PolarHBondContact O-N 3.35Å
19	C	45.6	Very low	50.7	Low	116 Å²	116	151.6 Å²	151.6	78%	0.784	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-63	131.5	160.1	-71.6	0	0	0	0	108.3	L17	L17-C19 PolarHBondContact O-N 2.9Å
20	P	52.9	Low	51.2	Low	108 Å²	108	158.4 Å²	158.4	70%	0.701	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-66.1	144.2	167.2	28.3	-31.1	0	0	0	108.8	V22	P20-V22 PolarHBondContact O-N 2.99Å
21	P	52	Low	51.5	Low	114 Å²	114	153.1 Å²	153.1	74%	0.74	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-65.4	122.6	172.3	26.8	-29.4	0	0	0	108.3	E23	P21-E23 PolarHBondContact O-N 3.45Å; P21-E23 VanDerWaalsContact O-N 3.14Å
22	V	56.6	Low	52.1	Low	123 Å²	123	150.8 Å²	150.8	75%	0.745	78%	0.782	S	S	*	*			trans	-63.9	109.4	165	156.2	0	0	0	0	106.9	P20 L24	P20-V22 PolarHBondContact O-N 2.99Å; V22-L24 HydrophobicContact CG1-CD2 4Å; V22-L24 HydrophobicContact CG1-CG 4.11Å; V22-L24 PolarHBondContact O-N 2.95Å; V22-L24 VanDerWaalsContact O-N 3.17Å
23	E	55.8	Low	52.5	Low	182 Å²	182	150.3 Å²	150.3	85%	0.85	78%	0.78	S	S	*	*			trans	-73.3	101.3	168.2	-74.6	-174.7	168.1	0	0	108.2	P21	P21-E23 PolarHBondContact O-N 3.45Å; P21-E23 VanDerWaalsContact O-N 3.14Å
24	L	57.8	Low	53	Low	121 Å²	121	151.8 Å²	151.8	63%	0.634	77%	0.774	S	S	*	*			trans	-72.4	126.4	165.4	-66.5	170.7	0	0	0	107.6	V22 W26	V22-L24 HydrophobicContact CG1-CD2 4Å; V22-L24 HydrophobicContact CG1-CG 4.11Å; V22-L24 PolarHBondContact O-N 2.95Å; V22-L24 VanDerWaalsContact O-N 3.17Å; L24-W26 PolarHBondContact O-N 3.42Å
25	P	52.7	Low	53.5	Low	131 Å²	131	142.8 Å²	142.8	85%	0.851	75%	0.747	S	S	*	*	S	Bend	trans	-71.1	2.8	-176.7	26.8	-32.2	0	0	0	113.6
26	W	55.8	Low	54	Low	177 Å²	177	142.2 Å²	142.2	67%	0.67	74%	0.744	S	S	*	*			trans	-142.4	119	179.5	68.2	-76	0	0	0	110.1	L24 P28	L24-W26 PolarHBondContact O-N 3.42Å; W26-P28 HydrophobicContact CZ3-CB 4.22Å
27	A	57.9	Low	54.3	Low	80 Å²	80	141.2 Å²	141.2	66%	0.661	74%	0.741	S	S	*	*			trans	-85.8	134.2	162.2	0	0	0	0	0	107.8	R29	A27-R29 PolarHBondContact O-N 2.98Å
28	P	51.7	Low	54.6	Low	103 Å²	103	137 Å²	137	67%	0.669	72%	0.72	S	S	*	*			trans	-62.4	104.7	171.1	25.3	-31	0	0	0	107.9	W26 R30	W26-P28 HydrophobicContact CZ3-CB 4.22Å; P28-R30 PolarHBondContact O-N 3.2Å
29	R	55.3	Low	55.3	Low	245 Å²	245	130 Å²	130	93%	0.925	70%	0.699	S	S	*	*			trans	-69.1	100.1	172.4	-66.3	-170.5	177.5	-148.1	0.4	106.9	A27 G31	A27-R29 PolarHBondContact O-N 2.98Å; R29-G31 VanDerWaalsContact C-N 3.33Å; R29-G31 PolarHBondContact O-N 2.83Å
30	R	55.1	Low	55.9	Low	234 Å²	234	133.5 Å²	133.5	88%	0.883	70%	0.704	S	S	*	*			trans	-59.6	102.3	160.6	-85.9	-172.6	-178.6	-138	1	106.6	P28 H32	P28-R30 PolarHBondContact O-N 3.2Å; R30-H32 PolarHBondContact O-N 3.37Å
31	G	53.5	Low	55.9	Low	65 Å²	65	134.7 Å²	134.7	67%	0.67	70%	0.704	S	S	*	*	S	Bend	trans	-68.4	19.2	-176.6	0	0	0	0	0	115.5	R29	R29-G31 VanDerWaalsContact C-N 3.33Å; R29-G31 PolarHBondContact O-N 2.83Å
32	H	56.5	Low	56	Low	175 Å²	175	136.5 Å²	136.5	81%	0.81	70%	0.697	S	S	*	*			trans	-133	71.3	178.1	-59.1	-61.4	0	0	0	108.9	R30	R30-H32 PolarHBondContact O-N 3.37Å
33	R	53.8	Low	56.1	Low	233 Å²	233	138.7 Å²	138.7	88%	0.879	70%	0.699	S	S	*	*			trans	-104.9	82	159.5	-162.6	-178.4	-152.9	-160.8	5.1	106.3	S35	R33-S35 PolarHBondContact O-N 3.47Å
34	L	55.7	Low	56.2	Low	124 Å²	124	137.2 Å²	137.2	65%	0.649	69%	0.686	S	S	*	*			trans	-58.2	121.1	165.4	-64.7	168.9	0	0	0	106.4
35	S	60.2	Low	56.7	Low	45 Å²	45	137.6 Å²	137.6	32%	0.315	69%	0.693	S	S	.	*			trans	-83.6	152.8	171.6	72.6	0	0	0	0	108.8	R33 A37 D38	R33-S35 PolarHBondContact O-N 3.47Å; S35-A37 PolarHBondContact O-N 2.83Å; S35-D38 WeakPolarHBondContact CB-OD2 3.34Å; S35-D38 PolarHBondContact N-OD2 3.42Å; S35-D38 WeakPolarHBondContact O-CB 3.35Å; S35-D38 PolarHBondContact O-N 3.17Å; S35-D38 PolarHBondContact OG-N 2.89Å; S35-D38 PolarHBondContact OG-OD2 3.47Å
36	P	57.6	Low	57	Low	112 Å²	112	139.1 Å²	139.1	73%	0.727	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.5	-17.1	174.8	-24.9	34.4	0	0	0	114.1
37	A	58.3	Low	57.6	Low	77 Å²	77	136.4 Å²	136.4	64%	0.636	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.1	-20.1	173.3	0	0	0	0	0	112.8	S35 D39	S35-A37 PolarHBondContact O-N 2.83Å; A37-D39 VanDerWaalsContact C-N 3.25Å
38	D	55.5	Low	57.4	Low	85 Å²	85	137.5 Å²	137.5	46%	0.455	69%	0.689	S	S	.	*	G	3₁₀ helix	trans	-77.4	-13.6	174.3	-58.6	-51.7	0	0	0	111.8	S35 E40 L41	S35-D38 WeakPolarHBondContact CB-OD2 3.34Å; S35-D38 PolarHBondContact N-OD2 3.42Å; S35-D38 WeakPolarHBondContact O-CB 3.35Å; S35-D38 PolarHBondContact O-N 3.17Å; S35-D38 PolarHBondContact OG-N 2.89Å; S35-D38 PolarHBondContact OG-OD2 3.47Å; D38-E40 VanDerWaalsContact C-N 3.29Å; D38-E40 PolarHBondContact O-N 2.75Å; D38-L41 PolarHBondContact O-N 3.4Å
39	D	60.7	Low	58.1	Low	81 Å²	81	138.1 Å²	138.1	43%	0.433	69%	0.686	S	S	.	*	G	3₁₀ helix	trans	-71.2	-17.1	178.6	-72.7	-30.7	0	0	0	113.2	A37 L41 Y42	A37-D39 VanDerWaalsContact C-N 3.25Å; D39-L41 VanDerWaalsContact C-N 3.29Å; D39-L41 PolarHBondContact O-N 2.66Å; D39-Y42 HydrophobicContact CB-CE2 4.04Å; D39-Y42 VanDerWaalsContact O-CD2 3.23Å; D39-Y42 WeakPolarHBondContact O-CD2 3.21Å; D39-Y42 WeakPolarHBondContact OD1-CE2 3.23Å; D39-Y42 PolarHBondContact OD1-OH 2.8Å
40	E	58.9	Low	58.2	Low	188 Å²	188	134.7 Å²	134.7	88%	0.879	69%	0.685	S	S	*	*	G	3₁₀ helix	trans	-79.8	-11.9	177.9	-68.4	-167.7	168.2	0	0	113.3	D38	D38-E40 VanDerWaalsContact C-N 3.29Å; D38-E40 PolarHBondContact O-N 2.75Å
41	L	53.5	Low	58.1	Low	134 Å²	134	129.4 Å²	129.4	70%	0.702	67%	0.671	S	S	*	*	G	3₁₀ helix	trans	-116.2	31.7	-175	-126.2	136.2	0	0	0	112.5	D38 D39 Q43	D38-L41 PolarHBondContact O-N 3.4Å; D39-L41 VanDerWaalsContact C-N 3.29Å; D39-L41 PolarHBondContact O-N 2.66Å; L41-Q43 PolarHBondContact O-N 2.85Å
42	Y	53.1	Low	58.4	Low	152 Å²	152	137.3 Å²	137.3	60%	0.596	68%	0.68	S	S	*	*			trans	-61.8	89.4	165.9	-83.9	-78.5	0	0	0	109.7	D39 R44	D39-Y42 HydrophobicContact CB-CE2 4.04Å; D39-Y42 VanDerWaalsContact O-CD2 3.23Å; D39-Y42 WeakPolarHBondContact O-CD2 3.21Å; D39-Y42 WeakPolarHBondContact OD1-CE2 3.23Å; D39-Y42 PolarHBondContact OD1-OH 2.8Å; Y42-R44 PolarHBondContact O-N 3.48Å
43	Q	58.2	Low	58.2	Low	169 Å²	169	136.7 Å²	136.7	79%	0.79	68%	0.677	S	S	*	*			trans	-62.3	92.7	153.1	-69.3	179.7	-2.3	0	0	105.8	L41 T45	L41-Q43 PolarHBondContact O-N 2.85Å; Q43-T45 PolarHBondContact O-N 3.24Å; Q43-T45 VanDerWaalsContact O-N 3.17Å
44	R	58.9	Low	58.3	Low	150 Å²	150	130.4 Å²	130.4	57%	0.566	68%	0.675	S	S	*	*			trans	-51.6	127.7	170	-68.8	-169.9	-174	156.8	15.7	106.8	Y42 H46 E109	Y42-R44 PolarHBondContact O-N 3.48Å; R44-H46 PolarHBondContact O-N 3.27Å; R44-E109 IonicContact CZ-OE1 2.67Å; R44-E109 IonicContact NE-OE1 3.63Å; R44-E109 IonicContact NH1-OE1 2.74Å; R44-E109 PolarHBondContact NH1-OE1 3.02Å
45	T	68.8	Low	58.4	Low	130 Å²	130	126.7 Å²	126.7	80%	0.798	66%	0.663	S	S	*	*			trans	-54	103.9	172.4	-55.1	0	0	0	0	107.9	Q43 I47	Q43-T45 PolarHBondContact O-N 3.24Å; Q43-T45 VanDerWaalsContact O-N 3.17Å; T45-I47 HydrophobicContact CG2-CG1 4.11Å
46	H	59.2	Low	58.6	Low	162 Å²	162	132.5 Å²	132.5	75%	0.75	69%	0.685	S	S	*	*			trans	-95.2	111.6	180	-172.1	-88	0	0	0	108.4	R44 S48	R44-H46 PolarHBondContact O-N 3.27Å; H46-S48 PolarHBondContact CE1-OG 3.02Å; H46-S48 PolarHBondContact ND1-OG 3.29Å
47	I	67.7	Low	59.5	Low	121 Å²	121	129.8 Å²	129.8	62%	0.621	67%	0.672	S	S	*	*			trans	-97.5	105.7	-178.9	-53.9	177.2	0	0	0	107.3	T45 L49	T45-I47 HydrophobicContact CG2-CG1 4.11Å; I47-L49 HydrophobicContact CG2-CB 3.87Å; I47-L49 HydrophobicContact CG2-CD1 3.83Å; I47-L49 HydrophobicContact CG2-CG 4.07Å; I47-L49 PolarHBondContact O-N 3.26Å
48	S	53.6	Low	60.9	Low	102 Å²	102	127.6 Å²	127.6	71%	0.713	65%	0.649	S	S	*	*			trans	-87.5	67.4	166.3	-70.9	0	0	0	0	109.3	H46 L50	H46-S48 PolarHBondContact CE1-OG 3.02Å; H46-S48 PolarHBondContact ND1-OG 3.29Å; S48-L50 PolarHBondContact O-N 3.3Å
49	L	65.6	Low	62.6	Low	117 Å²	117	128.9 Å²	128.9	61%	0.613	65%	0.648	S	S	*	*			trans	-75.2	111.9	170.8	-122	157.4	0	0	0	107.2	I47 Q51	I47-L49 HydrophobicContact CG2-CB 3.87Å; I47-L49 HydrophobicContact CG2-CD1 3.83Å; I47-L49 HydrophobicContact CG2-CG 4.07Å; I47-L49 PolarHBondContact O-N 3.26Å; L49-Q51 HydrophobicContact CD2-CB 4.49Å; L49-Q51 PolarHBondContact O-N 3.24Å
50	L	58.3	Low	64.1	Low	173 Å²	173	125.1 Å²	125.1	91%	0.906	63%	0.628	S	S	*	*			trans	-71.2	74.6	165.9	-70.8	169.3	0	0	0	107.6	S48 R52	S48-L50 PolarHBondContact O-N 3.3Å; L50-R52 PolarHBondContact O-N 3.44Å
51	Q	53.4	Low	65.7	Low	123 Å²	123	118.4 Å²	118.4	58%	0.575	60%	0.598	S	S	*	*			trans	-77	96.5	-174.3	-167.4	144.7	-26.3	0	0	109.9	L49 E53	L49-Q51 HydrophobicContact CD2-CB 4.49Å; L49-Q51 PolarHBondContact O-N 3.24Å; Q51-E53 PolarHBondContact O-N 3.48Å
52	R	59.4	Low	67.5	Low	231 Å²	231	112.6 Å²	112.6	87%	0.872	57%	0.569	S	S	*	*			trans	-79.6	95.7	162.4	-170.9	-179.2	-139.8	-175.3	4.4	107.6	L50	L50-R52 PolarHBondContact O-N 3.44Å
53	E	51.6	Low	69.3	Low	161 Å²	161	106.1 Å²	106.1	75%	0.752	54%	0.543	S	S	*	.	S	Bend	trans	140.4	111.5	162	-81.9	157	-173.5	0	0	107.7	Q51 A55	Q51-E53 PolarHBondContact O-N 3.48Å; E53-A55 PolarHBondContact O-N 2.97Å
54	A	55.4	Low	70.9	Confident	101 Å²	101	100 Å²	100	84%	0.835	52%	0.516	S	S	*	.			trans	-48.8	114.9	-178.6	0	0	0	0	0	109.2	Q56	A54-Q56 PolarHBondContact O-N 3.29Å
55	A	59	Low	72.3	Confident	47 Å²	47	96.1 Å²	96.1	39%	0.388	51%	0.512	S	S	.	.			trans	-50.8	117.5	166.7	0	0	0	0	0	106.2	E53 A57	E53-A55 PolarHBondContact O-N 2.97Å; A55-A57 PolarHBondContact O-N 2.88Å
56	Q	63.5	Low	73.3	Confident	167 Å²	167	97.2 Å²	97.2	78%	0.78	50%	0.502	S	S	*	.			trans	-52.1	108.6	-171.3	-160	166.3	6.6	0	0	108.5	A54 M58	A54-Q56 PolarHBondContact O-N 3.29Å; Q56-M58 PolarHBondContact O-N 3.34Å
57	A	77.1	Confident	74.9	Confident	55 Å²	55	89.5 Å²	89.5	46%	0.455	47%	0.466	S	S	.	.			trans	-59.1	140.9	-174.6	0	0	0	0	0	109.2	A55 Y59 N71	A55-A57 PolarHBondContact O-N 2.88Å; A57-Y59 PolarHBondContact O-N 2.74Å; A57-N71 PolarHBondContact O-ND2 3.45Å
58	M	86.9	Confident	76.1	Confident	31 Å²	31	83.8 Å²	83.8	15%	0.153	44%	0.437	C	S	.	.			trans	-66.5	124.1	175.1	-71.7	-63.2	-179.9	0	0	108.8	Q56 I70 H84 V86 F153	Q56-M58 PolarHBondContact O-N 3.34Å; M58-I70 HydrophobicContact SD-CG2 4.24Å; M58-H84 WeakPolarHBondContact CE-O 3.34Å; M58-V86 HydrophobicContact CE-CG2 4.44Å; M58-V86 HydrophobicContact SD-CG2 4.18Å; M58-F153 HydrophobicContact CB-CE1 4.3Å; M58-F153 HydrophobicContact CB-CZ 4.15Å; M58-F153 WeakPolarHBondContact O-CE1 3.4Å
59	Y	90.8	Very high	78	Confident	111 Å²	111	82.3 Å²	82.3	44%	0.435	42%	0.419	S	S	.	.			trans	-128.5	136.8	179.1	-160.1	-92.9	0	0	0	110.3	A57 I70 N71 N154	A57-Y59 PolarHBondContact O-N 2.74Å; Y59-I70 CarbonylContact O-C 3.59Å; Y59-I70 VanDerWaalsContact O-CA 3.31Å; Y59-I70 WeakPolarHBondContact O-CA 3.32Å; Y59-I70 WeakPolarHBondContact O-CG2 3.42Å; Y59-N71 WeakPolarHBondContact CB-OD1 3.32Å; Y59-N71 PolarHBondContact N-OD1 3.33Å; Y59-N71 PolarHBondContact O-N 2.78Å; Y59-N71 PolarHBondContact O-OD1 3.48Å; Y59-N154 HydrophobicContact CD2-CB 3.96Å; Y59-N154 VanDerWaalsContact CE1-ND2 3.31Å; Y59-N154 WeakPolarHBondContact CE1-ND2 3.43Å; Y59-N154 HydrophobicContact CE2-CB 3.39Å; Y59-N154 VanDerWaalsContact CZ-CG 3.48Å
60	I	94	Very high	79.3	Confident	2 Å²	2	76.9 Å²	76.9	1%	0.01	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	113.2	177.1	-57	160.2	0	0	0	107.9	I70 L81 C150 F153 N154 L167	I60-I70 HydrophobicContact CG1-CG1 4.36Å; I60-L81 HydrophobicContact CD1-CD2 4.1Å; I60-L81 HydrophobicContact CG1-CD2 3.77Å; I60-C150 HydrophobicContact CB-CB 4.43Å; I60-C150 HydrophobicContact CD1-CB 4.04Å; I60-C150 HydrophobicContact CG2-CB 4.15Å; I60-F153 HydrophobicContact CD1-CB 4.35Å; I60-F153 HydrophobicContact CD1-CD1 3.52Å; I60-F153 HydrophobicContact CD1-CE1 4.17Å; I60-F153 HydrophobicContact CD1-CG 4.2Å; I60-F153 HydrophobicContact CG1-CD1 4.02Å; I60-F153 HydrophobicContact CG1-CE1 4.28Å; I60-N154 PolarHBondContact N-OD1 2.8Å; I60-N154 PolarHBondContact O-ND2 3.28Å; I60-L167 HydrophobicContact CD1-CD1 3.55Å
61	D	92.3	Very high	80.8	Confident	47 Å²	47	71.3 Å²	71.3	25%	0.251	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	-45.4	-178.4	-57.5	-52.8	0	0	0	111.6	M69 N71 G72	D61-M69 HydrophobicContact CB-CB 4.31Å; D61-M69 HydrophobicContact CB-CE 3.79Å; D61-M69 HydrophobicContact CB-CG 4.28Å; D61-M69 PolarHBondContact N-O 3.47Å; D61-N71 PolarHBondContact OD2-N 3.28Å; D61-N71 VanDerWaalsContact OD2-N 3.1Å; D61-G72 PolarHBondContact OD2-N 2.81Å
62	S	90.7	Very high	82.4	Confident	12 Å²	12	68.1 Å²	68.1	8%	0.084	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.1	163.6	-179.2	68.1	0	0	0	0	111.5	M69 L176	S62-M69 PolarHBondContact N-O 2.95Å; S62-M69 PolarHBondContact O-N 3.24Å; S62-M69 WeakPolarHBondContact OG-CB 3.3Å; S62-M69 WeakPolarHBondContact OG-CE 3.36Å; S62-L176 WeakPolarHBondContact CB-O 3.33Å
63	Y	91.8	Very high	83.9	Confident	16 Å²	16	62.4 Å²	62.4	6%	0.063	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	161.6	169.2	65.6	-100.9	0	0	0	110.6	G67 F68 P147 P170 T174 S175 L176	Y63-G67 CarbonylContact C-O 3.56Å; Y63-G67 WeakPolarHBondContact CA-O 3.34Å; Y63-F68 VanDerWaalsContact CB-CD1 3.49Å; Y63-P147 HydrophobicContact CE1-CB 3.83Å; Y63-P147 HydrophobicContact CE1-CG 4.03Å; Y63-P147 HydrophobicContact CE2-CG 4.36Å; Y63-P147 WeakPolarHBondContact OH-CB 3.31Å; Y63-P147 VanDerWaalsContact OH-CG 3.3Å; Y63-P147 WeakPolarHBondContact OH-CG 3.44Å; Y63-P170 HydrophobicContact CD2-CG 3.8Å; Y63-P170 HydrophobicContact CE2-CG 3.86Å; Y63-T174 WeakPolarHBondContact CE2-O 3.22Å; Y63-T174 PolarHBondContact OH-O 3.14Å; Y63-S175 WeakPolarHBondContact O-CA 3.42Å; Y63-L176 HydrophobicContact CD1-CB 4.25Å; Y63-L176 HydrophobicContact CD1-CD1 3.39Å; Y63-L176 HydrophobicContact CD1-CG 3.8Å; Y63-L176 HydrophobicContact CE1-CB 4.05Å; Y63-L176 HydrophobicContact CE1-CD1 3.23Å; Y63-L176 HydrophobicContact CE1-CD2 4.44Å; Y63-L176 HydrophobicContact CE1-CG 3.27Å
64	N	90.9	Very high	85.8	Confident	40 Å²	40	62.5 Å²	62.5	21%	0.214	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	178.1	172.7	61.7	67.2	0	0	0	109.4	R66 G67	N64-R66 PolarHBondContact O-N 3.06Å; N64-R66 VanDerWaalsContact O-N 3.11Å; N64-R66 VanDerWaalsContact OD1-CA 3.28Å; N64-R66 WeakPolarHBondContact OD1-CA 3.27Å; N64-R66 WeakPolarHBondContact OD1-CB 3.28Å; N64-R66 PolarHBondContact OD1-N 3.18Å; N64-G67 PolarHBondContact N-O 3.28Å; N64-G67 PolarHBondContact O-N 3.4Å; N64-G67 VanDerWaalsContact O-O 3.07Å; N64-G67 PolarHBondContact OD1-N 3.05Å
65	S	89.3	Confident	87.7	Confident	69 Å²	69	59.1 Å²	59.1	48%	0.483	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-15.7	-178.9	56.4	0	0	0	0	115.1	P170	S65-P170 WeakPolarHBondContact CA-O 3.48Å
66	R	89.8	Confident	89.3	Confident	154 Å²	154	61.9 Å²	61.9	58%	0.581	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.7	-9	178.9	-60.5	-170.7	-70	177	-7.8	113	N64 L76 G77	N64-R66 PolarHBondContact O-N 3.06Å; N64-R66 VanDerWaalsContact O-N 3.11Å; N64-R66 VanDerWaalsContact OD1-CA 3.28Å; N64-R66 WeakPolarHBondContact OD1-CA 3.27Å; N64-R66 WeakPolarHBondContact OD1-CB 3.28Å; N64-R66 PolarHBondContact OD1-N 3.18Å; R66-L76 HydrophobicContact CB-CD2 4.17Å; R66-L76 CarbonylContact O-C 3.55Å; R66-L76 WeakPolarHBondContact O-CA 3.36Å; R66-G77 PolarHBondContact O-N 3.34Å
67	G	91.5	Very high	90.8	Very high	0 Å²	0	55 Å²	55	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	151.7	-152.2	-176.4	0	0	0	0	0	114.4	Y63 N64 V75	Y63-G67 CarbonylContact C-O 3.56Å; Y63-G67 WeakPolarHBondContact CA-O 3.34Å; N64-G67 PolarHBondContact N-O 3.28Å; N64-G67 PolarHBondContact O-N 3.4Å; N64-G67 VanDerWaalsContact O-O 3.07Å; N64-G67 PolarHBondContact OD1-N 3.05Å; G67-V75 CarbonylContact C-O 3.57Å; G67-V75 VanDerWaalsContact CA-O 3.3Å; G67-V75 WeakPolarHBondContact CA-O 3.28Å
68	F	94	Very high	91.6	Very high	1 Å²	1	53.7 Å²	53.7	0%	0.004	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	156.4	-165.4	-56.8	-86.5	0	0	0	112	Y63 I70 V75 C79 T146 L167 P169	Y63-F68 VanDerWaalsContact CB-CD1 3.49Å; F68-I70 HydrophobicContact CB-CD1 4.15Å; F68-I70 HydrophobicContact CB-CG1 4.13Å; F68-V75 PolarHBondContact N-O 3.29Å; F68-V75 PolarHBondContact O-N 3.46Å; F68-C79 WeakPolarHBondContact CD2-SG 3.28Å; F68-T146 HydrophobicContact CE1-CG2 3.42Å; F68-T146 VanDerWaalsContact CE1-CG2 3.42Å; F68-T146 HydrophobicContact CZ-CG2 3.66Å; F68-L167 HydrophobicContact CD1-CD1 4.2Å; F68-L167 HydrophobicContact CE1-CB 3.99Å; F68-L167 HydrophobicContact CE1-CD1 3.98Å; F68-L167 HydrophobicContact CE2-CB 3.83Å; F68-L167 HydrophobicContact CZ-CB 3.47Å; F68-L167 VanDerWaalsContact CZ-CB 3.47Å; F68-L167 HydrophobicContact CZ-CD1 4.3Å; F68-P169 HydrophobicContact CE2-CB 4.13Å; F68-P169 HydrophobicContact CZ-CB 4.24Å
69	M	93.6	Very high	92	Very high	70 Å²	70	52.2 Å²	52.2	35%	0.345	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	117.2	167.8	-167.1	161.9	77.9	0	0	107.6	D61 S62 N73	D61-M69 HydrophobicContact CB-CB 4.31Å; D61-M69 HydrophobicContact CB-CE 3.79Å; D61-M69 HydrophobicContact CB-CG 4.28Å; D61-M69 PolarHBondContact N-O 3.47Å; S62-M69 PolarHBondContact N-O 2.95Å; S62-M69 PolarHBondContact O-N 3.24Å; S62-M69 WeakPolarHBondContact OG-CB 3.3Å; S62-M69 WeakPolarHBondContact OG-CE 3.36Å; M69-N73 CarbonylContact C-O 3.56Å; M69-N73 WeakPolarHBondContact CA-O 3.47Å
70	I	92.9	Very high	92.3	Very high	4 Å²	4	47 Å²	47	2%	0.021	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	116.5	-171.8	-58.2	163.7	0	0	0	107.6	M58 Y59 I60 F68 G72 N73 V75 L81 V86	M58-I70 HydrophobicContact SD-CG2 4.24Å; Y59-I70 CarbonylContact O-C 3.59Å; Y59-I70 VanDerWaalsContact O-CA 3.31Å; Y59-I70 WeakPolarHBondContact O-CA 3.32Å; Y59-I70 WeakPolarHBondContact O-CG2 3.42Å; I60-I70 HydrophobicContact CG1-CG1 4.36Å; F68-I70 HydrophobicContact CB-CD1 4.15Å; F68-I70 HydrophobicContact CB-CG1 4.13Å; I70-G72 PolarHBondContact O-N 3.39Å; I70-N73 PolarHBondContact N-O 2.92Å; I70-N73 WeakPolarHBondContact O-CB 3.31Å; I70-N73 PolarHBondContact O-N 3.38Å; I70-V75 HydrophobicContact CD1-CB 4.37Å; I70-V75 HydrophobicContact CD1-CG2 3.99Å; I70-L81 HydrophobicContact CD1-CD1 4.17Å; I70-L81 HydrophobicContact CD1-CD2 3.8Å; I70-L81 HydrophobicContact CD1-CG 4.03Å; I70-L81 HydrophobicContact CG1-CD2 4.21Å; I70-L81 HydrophobicContact CG2-CD2 4.06Å; I70-V86 HydrophobicContact CD1-CG1 3.89Å; I70-V86 HydrophobicContact CD1-CG2 3.97Å; I70-V86 HydrophobicContact CG2-CG2 4.03Å
71	N	89.3	Confident	92.3	Very high	55 Å²	55	46.9 Å²	46.9	29%	0.294	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.6	42.3	-174.9	-66	-12.2	0	0	0	112.6	A57 Y59 D61 N73	A57-N71 PolarHBondContact O-ND2 3.45Å; Y59-N71 WeakPolarHBondContact CB-OD1 3.32Å; Y59-N71 PolarHBondContact N-OD1 3.33Å; Y59-N71 PolarHBondContact O-N 2.78Å; Y59-N71 PolarHBondContact O-OD1 3.48Å; D61-N71 PolarHBondContact OD2-N 3.28Å; D61-N71 VanDerWaalsContact OD2-N 3.1Å; N71-N73 PolarHBondContact O-N 2.95Å
72	G	87.3	Confident	92.4	Very high	56 Å²	56	45 Å²	45	58%	0.577	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.3	-6.9	-176.3	0	0	0	0	0	116	D61 I70	D61-G72 PolarHBondContact OD2-N 2.81Å; I70-G72 PolarHBondContact O-N 3.39Å
73	N	89.9	Confident	92.3	Very high	111 Å²	111	45.9 Å²	45.9	59%	0.594	25%	0.246	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-89.8	134.6	178.1	-60.7	-58.4	0	0	0	111.3	M69 I70 N71	M69-N73 CarbonylContact C-O 3.56Å; M69-N73 WeakPolarHBondContact CA-O 3.47Å; I70-N73 PolarHBondContact N-O 2.92Å; I70-N73 WeakPolarHBondContact O-CB 3.31Å; I70-N73 PolarHBondContact O-N 3.38Å; N71-N73 PolarHBondContact O-N 2.95Å
74	R	92.7	Very high	92	Very high	163 Å²	163	51.1 Å²	51.1	62%	0.615	27%	0.271	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.8	121.5	176.3	177.6	176.8	-91.3	-163.5	-1.5	110.7	L76	R74-L76 HydrophobicContact CG-CD2 4.02Å; R74-L76 HydrophobicContact CG-CG 4.38Å
75	V	94.1	Very high	91.9	Very high	31 Å²	31	51.5 Å²	51.5	19%	0.188	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	127.6	173.4	-179.1	0	0	0	0	108.6	G67 F68 I70 C79 V86	G67-V75 CarbonylContact C-O 3.57Å; G67-V75 VanDerWaalsContact CA-O 3.3Å; G67-V75 WeakPolarHBondContact CA-O 3.28Å; F68-V75 PolarHBondContact N-O 3.29Å; F68-V75 PolarHBondContact O-N 3.46Å; I70-V75 HydrophobicContact CD1-CB 4.37Å; I70-V75 HydrophobicContact CD1-CG2 3.99Å; V75-C79 HydrophobicContact CG1-CB 3.66Å; V75-V86 HydrophobicContact CG1-CG1 4.31Å; V75-V86 HydrophobicContact CG2-CG1 4.08Å
76	L	93.3	Very high	92.1	Very high	105 Å²	105	50.5 Å²	50.5	55%	0.55	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	136.2	-177.7	-63.2	177.9	0	0	0	110.3	R66 R74	R66-L76 HydrophobicContact CB-CD2 4.17Å; R66-L76 CarbonylContact O-C 3.55Å; R66-L76 WeakPolarHBondContact O-CA 3.36Å; R74-L76 HydrophobicContact CG-CD2 4.02Å; R74-L76 HydrophobicContact CG-CG 4.38Å
77	G	93.7	Very high	92.3	Very high	21 Å²	21	45.4 Å²	45.4	22%	0.216	25%	0.254	C	S	.	.	S	Bend	trans	80.6	-169.4	-178.7	0	0	0	0	0	113.8	R66	R66-G77 PolarHBondContact O-N 3.34Å
78	P	95.4	Very high	92.5	Very high	28 Å²	28	52.8 Å²	52.8	18%	0.182	29%	0.288	C	S	.	.	S	Bend	trans	-63.9	138.2	174.8	-21.1	34.8	0	0	0	111.5	W89 V91 L167 I168	P78-W89 HydrophobicContact CB-CB 4.36Å; P78-W89 HydrophobicContact CB-CE3 4.33Å; P78-W89 PolarHBondContact O-N 2.96Å; P78-V91 HydrophobicContact CB-CG2 4.05Å; P78-V91 WeakPolarHBondContact CG-O 3.42Å; P78-L167 CarbonylContact C-O 3.53Å; P78-L167 WeakPolarHBondContact CA-O 3.3Å; P78-I168 HydrophobicContact CB-CG1 4.49Å
79	C	95.5	Very high	92.5	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	152.6	-176.3	67.9	0	0	0	0	111.8	F68 V75 V86 V87 L167	F68-C79 WeakPolarHBondContact CD2-SG 3.28Å; V75-C79 HydrophobicContact CG1-CB 3.66Å; C79-V86 HydrophobicContact CB-CG1 4.16Å; C79-V87 WeakPolarHBondContact CA-O 3.29Å; C79-L167 PolarHBondContact N-O 2.64Å; C79-L167 PolarHBondContact O-N 3.28Å
80	A	96	Very high	92.5	Very high	1 Å²	1	56.7 Å²	56.7	1%	0.008	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	121.5	170.9	0	0	0	0	0	108.6	V87 W89 F105 A165	A80-V87 HydrophobicContact CB-CG2 3.78Å; A80-V87 PolarHBondContact N-O 3.36Å; A80-V87 PolarHBondContact O-N 3.16Å; A80-W89 HydrophobicContact CB-CB 4.27Å; A80-W89 HydrophobicContact CB-CG 4.44Å; A80-F105 HydrophobicContact CB-CE1 4.45Å; A80-F105 HydrophobicContact CB-CE2 4.28Å; A80-F105 HydrophobicContact CB-CZ 3.69Å; A80-A165 CarbonylContact C-O 3.36Å; A80-A165 VanDerWaalsContact CA-O 3.22Å; A80-A165 WeakPolarHBondContact CA-O 3.32Å
81	L	94.9	Very high	92.4	Very high	0 Å²	0	57 Å²	57	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	127.4	172.4	-66.2	89.2	0	0	0	108.7	I60 I70 V86 F153 G164 A165 L167	I60-L81 HydrophobicContact CD1-CD2 4.1Å; I60-L81 HydrophobicContact CG1-CD2 3.77Å; I70-L81 HydrophobicContact CD1-CD1 4.17Å; I70-L81 HydrophobicContact CD1-CD2 3.8Å; I70-L81 HydrophobicContact CD1-CG 4.03Å; I70-L81 HydrophobicContact CG1-CD2 4.21Å; I70-L81 HydrophobicContact CG2-CD2 4.06Å; L81-V86 HydrophobicContact CG-CG1 4.48Å; L81-V86 HydrophobicContact CG-CG2 4.27Å; L81-F153 HydrophobicContact CB-CE1 4.4Å; L81-F153 HydrophobicContact CB-CE2 4.17Å; L81-F153 HydrophobicContact CB-CZ 3.8Å; L81-F153 HydrophobicContact CD2-CD1 4.34Å; L81-F153 HydrophobicContact CD2-CE1 3.59Å; L81-F153 HydrophobicContact CD2-CZ 3.83Å; L81-F153 HydrophobicContact CG-CZ 4.46Å; L81-G164 CarbonylContact O-C 3.58Å; L81-G164 WeakPolarHBondContact O-CA 3.37Å; L81-A165 HydrophobicContact CB-CB 4.22Å; L81-A165 HydrophobicContact CD1-CB 4.15Å; L81-A165 PolarHBondContact N-O 2.98Å; L81-A165 PolarHBondContact O-N 2.76Å; L81-L167 HydrophobicContact CD1-CD1 3.58Å; L81-L167 HydrophobicContact CD1-CG 4.09Å
82	L	92.9	Very high	92.3	Very high	7 Å²	7	57.4 Å²	57.4	4%	0.037	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	163.2	173.9	-52.7	171.7	0	0	0	107.5	H84 S85 V87 F105 L108 I112	L82-H84 PolarHBondContact O-N 3.2Å; L82-S85 WeakPolarHBondContact CA-O 3.34Å; L82-S85 WeakPolarHBondContact CB-O 3.31Å; L82-S85 VanDerWaalsContact CD1-OG 3.3Å; L82-S85 WeakPolarHBondContact CD1-OG 3.39Å; L82-S85 PolarHBondContact N-O 3.46Å; L82-S85 PolarHBondContact O-N 2.97Å; L82-V87 HydrophobicContact CD1-CG1 4.29Å; L82-V87 HydrophobicContact CD1-CG2 4.31Å; L82-F105 HydrophobicContact CD2-CD1 3.8Å; L82-F105 HydrophobicContact CD2-CE1 3.8Å; L82-L108 HydrophobicContact CB-CD1 4.07Å; L82-L108 HydrophobicContact CD1-CD1 3.47Å; L82-L108 VanDerWaalsContact CD1-CD1 3.47Å; L82-L108 HydrophobicContact CD2-CD1 3.44Å; L82-L108 VanDerWaalsContact CD2-CD1 3.44Å; L82-L108 HydrophobicContact CG-CD1 3.82Å; L82-I112 HydrophobicContact CD2-CD1 4.17Å
83	P	88.8	Confident	92.4	Very high	31 Å²	31	56.5 Å²	56.5	20%	0.201	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.1	-32.6	-175.7	-30.8	35.9	0	0	0	115	I112 V162	P83-I112 HydrophobicContact CG-CG1 4.32Å; P83-V162 HydrophobicContact CG-CG1 3.84Å
84	H	85.9	Confident	92.3	Very high	126 Å²	126	53.6 Å²	53.6	58%	0.583	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129	5.7	-176.4	-56.4	-55.7	0	0	0	114.4	M58 L82	M58-H84 WeakPolarHBondContact CE-O 3.34Å; L82-H84 PolarHBondContact O-N 3.2Å
85	S	90	Very high	92.2	Very high	49 Å²	49	52.3 Å²	52.3	34%	0.343	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	155	-176.8	57.7	0	0	0	0	112.4	L82	L82-S85 WeakPolarHBondContact CA-O 3.34Å; L82-S85 WeakPolarHBondContact CB-O 3.31Å; L82-S85 VanDerWaalsContact CD1-OG 3.3Å; L82-S85 WeakPolarHBondContact CD1-OG 3.39Å; L82-S85 PolarHBondContact N-O 3.46Å; L82-S85 PolarHBondContact O-N 2.97Å
86	V	93.4	Very high	92.1	Very high	47 Å²	47	54.7 Å²	54.7	29%	0.285	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	133.9	170.4	-173.6	0	0	0	0	108.5	M58 I70 V75 C79 L81	M58-V86 HydrophobicContact CE-CG2 4.44Å; M58-V86 HydrophobicContact SD-CG2 4.18Å; I70-V86 HydrophobicContact CD1-CG1 3.89Å; I70-V86 HydrophobicContact CD1-CG2 3.97Å; I70-V86 HydrophobicContact CG2-CG2 4.03Å; V75-V86 HydrophobicContact CG1-CG1 4.31Å; V75-V86 HydrophobicContact CG2-CG1 4.08Å; C79-V86 HydrophobicContact CB-CG1 4.16Å; L81-V86 HydrophobicContact CG-CG1 4.48Å; L81-V86 HydrophobicContact CG-CG2 4.27Å
87	V	94	Very high	92.1	Very high	47 Å²	47	49.8 Å²	49.8	29%	0.285	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	151.8	179.1	-61.1	0	0	0	0	110.3	C79 A80 L82 W89 L104	C79-V87 WeakPolarHBondContact CA-O 3.29Å; A80-V87 HydrophobicContact CB-CG2 3.78Å; A80-V87 PolarHBondContact N-O 3.36Å; A80-V87 PolarHBondContact O-N 3.16Å; L82-V87 HydrophobicContact CD1-CG1 4.29Å; L82-V87 HydrophobicContact CD1-CG2 4.31Å; V87-W89 PolarHBondContact O-N 3.37Å; V87-L104 HydrophobicContact CG2-CD1 3.82Å
88	Q	94.3	Very high	92.1	Very high	155 Å²	155	51.5 Å²	51.5	72%	0.724	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.3	134.8	172.7	-178.6	-178.6	-34.2	0	0	109.4
89	W	95.4	Very high	91.9	Very high	9 Å²	9	53.1 Å²	53.1	3%	0.034	30%	0.295	C	S	.	.			trans	-103.8	119.2	176.5	-167.8	39.3	0	0	0	109.7	P78 A80 V87 V91 I97 S101 F102 V117 A166 I168	P78-W89 HydrophobicContact CB-CB 4.36Å; P78-W89 HydrophobicContact CB-CE3 4.33Å; P78-W89 PolarHBondContact O-N 2.96Å; A80-W89 HydrophobicContact CB-CB 4.27Å; A80-W89 HydrophobicContact CB-CG 4.44Å; V87-W89 PolarHBondContact O-N 3.37Å; W89-V91 VanDerWaalsContact C-N 3.27Å; W89-V91 HydrophobicContact CD2-CB 4.38Å; W89-V91 HydrophobicContact CD2-CG1 4.02Å; W89-V91 HydrophobicContact CD2-CG2 3.43Å; W89-V91 VanDerWaalsContact CD2-CG2 3.43Å; W89-V91 HydrophobicContact CE3-CG2 3.25Å; W89-V91 HydrophobicContact CG-CG1 4.46Å; W89-V91 HydrophobicContact CG-CG2 4.11Å; W89-V91 HydrophobicContact CH2-CG1 4.39Å; W89-V91 HydrophobicContact CH2-CG2 3.93Å; W89-V91 HydrophobicContact CZ2-CG1 3.84Å; W89-V91 HydrophobicContact CZ2-CG2 4.1Å; W89-V91 HydrophobicContact CZ3-CG2 3.53Å; W89-V91 PolarHBondContact O-N 2.89Å; W89-I97 HydrophobicContact CH2-CD1 3.59Å; W89-I97 HydrophobicContact CH2-CG1 3.63Å; W89-I97 HydrophobicContact CH2-CG2 4.37Å; W89-I97 HydrophobicContact CZ2-CD1 4.38Å; W89-I97 HydrophobicContact CZ2-CG1 3.99Å; W89-I97 HydrophobicContact CZ2-CG2 4.2Å; W89-I97 HydrophobicContact CZ3-CD1 4.4Å; W89-S101 PolarHBondContact NE1-O 2.93Å; W89-F102 HydrophobicContact CZ2-CZ 4.33Å; W89-V117 HydrophobicContact CH2-CG1 4.47Å; W89-A166 HydrophobicContact CD2-CB 4.24Å; W89-A166 HydrophobicContact CE3-CB 3.99Å; W89-A166 HydrophobicContact CH2-CB 3.79Å; W89-A166 HydrophobicContact CZ2-CB 4.03Å; W89-A166 HydrophobicContact CZ3-CB 3.76Å; W89-I168 HydrophobicContact CE3-CG1 4.29Å; W89-I168 HydrophobicContact CZ3-CD1 4.18Å; W89-I168 HydrophobicContact CZ3-CG1 3.77Å
90	N	92.4	Very high	91.7	Very high	145 Å²	145	60.6 Å²	60.6	78%	0.775	33%	0.33	S	S	*	.			trans	-84.9	64.8	-172.5	-171	46.4	0	0	0	112.1
91	V	92	Very high	91.6	Very high	11 Å²	11	61.8 Å²	61.8	7%	0.067	34%	0.338	C	S	.	.			trans	-130.4	141.5	174.8	-61.6	0	0	0	0	109.4	P78 W89 D96 I97 I168	P78-V91 HydrophobicContact CB-CG2 4.05Å; P78-V91 WeakPolarHBondContact CG-O 3.42Å; W89-V91 VanDerWaalsContact C-N 3.27Å; W89-V91 HydrophobicContact CD2-CB 4.38Å; W89-V91 HydrophobicContact CD2-CG1 4.02Å; W89-V91 HydrophobicContact CD2-CG2 3.43Å; W89-V91 VanDerWaalsContact CD2-CG2 3.43Å; W89-V91 HydrophobicContact CE3-CG2 3.25Å; W89-V91 HydrophobicContact CG-CG1 4.46Å; W89-V91 HydrophobicContact CG-CG2 4.11Å; W89-V91 HydrophobicContact CH2-CG1 4.39Å; W89-V91 HydrophobicContact CH2-CG2 3.93Å; W89-V91 HydrophobicContact CZ2-CG1 3.84Å; W89-V91 HydrophobicContact CZ2-CG2 4.1Å; W89-V91 HydrophobicContact CZ3-CG2 3.53Å; W89-V91 PolarHBondContact O-N 2.89Å; V91-D96 HydrophobicContact CB-CB 4.33Å; V91-I97 HydrophobicContact CG1-CG1 4.45Å; V91-I168 HydrophobicContact CG2-CD1 4.25Å; V91-I168 HydrophobicContact CG2-CG1 4.26Å
92	G	86.8	Confident	91.5	Very high	63 Å²	63	61.8 Å²	61.8	65%	0.649	34%	0.338	S	S	*	.	S	Bend	trans	-89.1	-35.5	176.1	0	0	0	0	0	112.5	D96	G92-D96 WeakPolarHBondContact CA-OD2 3.2Å; G92-D96 PolarHBondContact N-OD2 3.39Å
93	S	88.4	Confident	91.5	Very high	37 Å²	37	63.2 Å²	63.2	26%	0.259	35%	0.349	S	S	.	.	S	Bend	trans	-151.5	174.3	-174	70	0	0	0	0	111.4	Q95 D96	S93-Q95 PolarHBondContact O-N 2.85Å; S93-Q95 VanDerWaalsContact O-N 3.14Å; S93-Q95 PolarHBondContact OG-N 2.85Å; S93-D96 PolarHBondContact N-OD2 2.86Å; S93-D96 PolarHBondContact O-N 2.99Å; S93-D96 PolarHBondContact OG-OD2 2.82Å
94	H	88.6	Confident	91.6	Very high	49 Å²	49	65 Å²	65	23%	0.227	36%	0.357	C	S	.	.	G	3₁₀ helix	trans	-61.2	-19.9	175.1	70.5	84.9	0	0	0	113.8	I97 T119 E124	H94-I97 HydrophobicContact CB-CD1 4.25Å; H94-I97 WeakPolarHBondContact O-CG1 3.4Å; H94-T119 HydrophobicContact CB-CG2 4.02Å; H94-E124 HydrophobicContact CB-CB 4.01Å; H94-E124 HydrophobicContact CB-CG 4.49Å
95	Q	90.5	Very high	91.9	Very high	137 Å²	137	59.1 Å²	59.1	64%	0.64	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-79.8	-26.2	-179.6	-57.5	-177.2	19.6	0	0	112.2	S93 I97	S93-Q95 PolarHBondContact O-N 2.85Å; S93-Q95 VanDerWaalsContact O-N 3.14Å; S93-Q95 PolarHBondContact OG-N 2.85Å; Q95-I97 PolarHBondContact O-N 3.1Å
96	D	91	Very high	91.9	Very high	81 Å²	81	60.2 Å²	60.2	43%	0.433	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	-81.8	-1.2	-180	-52.4	-49.9	0	0	0	112.2	V91 G92 S93 T98	V91-D96 HydrophobicContact CB-CB 4.33Å; G92-D96 WeakPolarHBondContact CA-OD2 3.2Å; G92-D96 PolarHBondContact N-OD2 3.39Å; S93-D96 PolarHBondContact N-OD2 2.86Å; S93-D96 PolarHBondContact O-N 2.99Å; S93-D96 PolarHBondContact OG-OD2 2.82Å; D96-T98 PolarHBondContact O-N 3.19Å
97	I	93.1	Very high	91.7	Very high	2 Å²	2	63.7 Å²	63.7	1%	0.01	34%	0.341	C	S	.	.			trans	-73.7	101.8	-180	-61.3	176	0	0	0	109	W89 V91 H94 Q95 F102 V117 L126 I168	W89-I97 HydrophobicContact CH2-CD1 3.59Å; W89-I97 HydrophobicContact CH2-CG1 3.63Å; W89-I97 HydrophobicContact CH2-CG2 4.37Å; W89-I97 HydrophobicContact CZ2-CD1 4.38Å; W89-I97 HydrophobicContact CZ2-CG1 3.99Å; W89-I97 HydrophobicContact CZ2-CG2 4.2Å; W89-I97 HydrophobicContact CZ3-CD1 4.4Å; V91-I97 HydrophobicContact CG1-CG1 4.45Å; H94-I97 HydrophobicContact CB-CD1 4.25Å; H94-I97 WeakPolarHBondContact O-CG1 3.4Å; Q95-I97 PolarHBondContact O-N 3.1Å; I97-F102 HydrophobicContact CG2-CD2 4.17Å; I97-F102 HydrophobicContact CG2-CE2 3.28Å; I97-F102 HydrophobicContact CG2-CZ 3.96Å; I97-V117 HydrophobicContact CD1-CG1 4.35Å; I97-L126 HydrophobicContact CB-CD2 4.22Å; I97-L126 HydrophobicContact CD1-CD2 3.43Å; I97-L126 VanDerWaalsContact CD1-CD2 3.43Å; I97-L126 HydrophobicContact CG1-CD2 4.41Å; I97-L126 HydrophobicContact CG2-CD2 4.08Å; I97-I168 HydrophobicContact CD1-CD1 4.31Å
98	T	93.9	Very high	91.4	Very high	57 Å²	57	64.4 Å²	64.4	35%	0.35	34%	0.342	S	S	.	.			trans	-103.4	172	175.3	61.8	0	0	0	0	111.5	D96 E100 S101	D96-T98 PolarHBondContact O-N 3.19Å; T98-E100 VanDerWaalsContact C-N 3.32Å; T98-E100 PolarHBondContact O-N 3.05Å; T98-S101 PolarHBondContact N-OG 2.99Å; T98-S101 VanDerWaalsContact O-CB 3.3Å; T98-S101 WeakPolarHBondContact O-CB 3.45Å; T98-S101 PolarHBondContact O-N 2.86Å; T98-S101 PolarHBondContact OG1-N 2.96Å; T98-S101 PolarHBondContact OG1-OG 2.97Å
99	E	92	Very high	90.9	Very high	62 Å²	62	62.4 Å²	62.4	29%	0.29	33%	0.333	S	S	.	.	S	Bend	trans	-56.9	-47.8	170.6	178.8	174.2	179.9	0	0	110.9	S101 F102 W106 A133 R137	E99-S101 PolarHBondContact O-N 2.91Å; E99-S101 VanDerWaalsContact O-N 3.1Å; E99-F102 PolarHBondContact O-N 3.28Å; E99-W106 HydrophobicContact CG-CH2 3.73Å; E99-W106 HydrophobicContact CG-CZ2 4.49Å; E99-W106 WeakPolarHBondContact O-CH2 3.39Å; E99-A133 HydrophobicContact CG-CB 4.04Å; E99-R137 IonicContact OE1-CZ 3.52Å; E99-R137 IonicContact OE1-NH1 3.18Å; E99-R137 PolarHBondContact OE1-NH1 2.92Å; E99-R137 IonicContact OE1-NH2 3.37Å; E99-R137 PolarHBondContact OE1-NH2 2.91Å
100	E	91.9	Very high	90.5	Very high	157 Å²	157	65.1 Å²	65.1	73%	0.734	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-56.6	-31.2	179.7	-62.6	178.5	177.5	0	0	113.1	T98 F102 S103	T98-E100 VanDerWaalsContact C-N 3.32Å; T98-E100 PolarHBondContact O-N 3.05Å; E100-F102 PolarHBondContact O-N 3.3Å; E100-S103 WeakPolarHBondContact O-CB 3.48Å; E100-S103 PolarHBondContact O-N 2.84Å; E100-S103 PolarHBondContact O-OG 2.74Å
101	S	93	Very high	90.4	Very high	25 Å²	25	65.3 Å²	65.3	18%	0.175	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-63.6	-22.3	176.9	-57.3	0	0	0	0	112.8	W89 T98 E99	W89-S101 PolarHBondContact NE1-O 2.93Å; T98-S101 PolarHBondContact N-OG 2.99Å; T98-S101 VanDerWaalsContact O-CB 3.3Å; T98-S101 WeakPolarHBondContact O-CB 3.45Å; T98-S101 PolarHBondContact O-N 2.86Å; T98-S101 PolarHBondContact OG1-N 2.96Å; T98-S101 PolarHBondContact OG1-OG 2.97Å; E99-S101 PolarHBondContact O-N 2.91Å; E99-S101 VanDerWaalsContact O-N 3.1Å
102	F	93.1	Very high	90.5	Very high	0 Å²	0	65 Å²	65	0%	0	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-97.4	2.1	176.1	-75.6	-81.6	0	0	0	113.8	W89 I97 E99 E100 L104 F105 W106 V115 V117 L126 V130 M134 A166	W89-F102 HydrophobicContact CZ2-CZ 4.33Å; I97-F102 HydrophobicContact CG2-CD2 4.17Å; I97-F102 HydrophobicContact CG2-CE2 3.28Å; I97-F102 HydrophobicContact CG2-CZ 3.96Å; E99-F102 PolarHBondContact O-N 3.28Å; E100-F102 PolarHBondContact O-N 3.3Å; F102-L104 PolarHBondContact O-N 2.92Å; F102-L104 VanDerWaalsContact O-N 3.08Å; F102-F105 HydrophobicContact CB-CD2 4.11Å; F102-F105 AromaticContact CD1-CD2 3.5Å; F102-F105 HydrophobicContact CD1-CD2 3.5Å; F102-F105 VanDerWaalsContact CD1-CD2 3.5Å; F102-F105 AromaticContact CD1-CE2 3.63Å; F102-F105 HydrophobicContact CD1-CE2 3.63Å; F102-F105 HydrophobicContact CE1-CD2 4.39Å; F102-F105 HydrophobicContact CE1-CE2 4.14Å; F102-F105 HydrophobicContact CG-CD2 4.25Å; F102-F105 WeakPolarHBondContact O-CB 3.45Å; F102-F105 WeakPolarHBondContact O-CD2 3.49Å; F102-F105 PolarHBondContact O-N 2.84Å; F102-W106 HydrophobicContact CB-CE3 4.12Å; F102-W106 HydrophobicContact CB-CH2 4.2Å; F102-W106 HydrophobicContact CB-CZ3 3.42Å; F102-W106 VanDerWaalsContact CB-CZ3 3.42Å; F102-W106 VanDerWaalsContact O-CZ3 3.31Å; F102-W106 WeakPolarHBondContact O-CZ3 3.22Å; F102-V115 HydrophobicContact CD1-CG1 4.37Å; F102-V115 HydrophobicContact CE1-CG1 3.96Å; F102-V117 HydrophobicContact CE1-CG2 3.78Å; F102-V117 HydrophobicContact CZ-CG2 3.67Å; F102-L126 HydrophobicContact CZ-CD1 4.41Å; F102-V130 HydrophobicContact CD2-CG1 3.56Å; F102-V130 HydrophobicContact CE2-CG1 3.48Å; F102-V130 VanDerWaalsContact CE2-CG1 3.48Å; F102-M134 HydrophobicContact CB-CE 4.22Å; F102-M134 HydrophobicContact CB-SD 3.66Å; F102-M134 HydrophobicContact CD1-CE 3.66Å; F102-M134 HydrophobicContact CD1-SD 4.16Å; F102-M134 HydrophobicContact CE1-CE 4.32Å; F102-M134 HydrophobicContact CG-CE 4.09Å; F102-M134 HydrophobicContact CG-SD 3.95Å; F102-A166 HydrophobicContact CE1-CB 4.16Å
103	S	92.1	Very high	90.9	Very high	38 Å²	38	66.4 Å²	66.4	27%	0.266	33%	0.329	S	S	.	.	H	α-helix	trans	-52.4	-39.4	-172.8	55.9	0	0	0	0	114.4	E100 F105 W106 M107	E100-S103 WeakPolarHBondContact O-CB 3.48Å; E100-S103 PolarHBondContact O-N 2.84Å; E100-S103 PolarHBondContact O-OG 2.74Å; S103-F105 PolarHBondContact O-N 2.91Å; S103-W106 VanDerWaalsContact CA-CE2 3.42Å; S103-W106 PolarHBondContact O-N 3.25Å; S103-M107 WeakPolarHBondContact O-CE 3.31Å; S103-M107 VanDerWaalsContact O-CG 3.28Å; S103-M107 WeakPolarHBondContact O-CG 3.21Å; S103-M107 PolarHBondContact O-N 3.1Å
104	L	91.1	Very high	91.2	Very high	69 Å²	69	65.4 Å²	65.4	36%	0.361	32%	0.321	S	S	.	.	H	α-helix	trans	-58.9	-34.3	178.9	-63.9	173	0	0	0	112.7	V87 F102 W106 M107 L108	V87-L104 HydrophobicContact CG2-CD1 3.82Å; F102-L104 PolarHBondContact O-N 2.92Å; F102-L104 VanDerWaalsContact O-N 3.08Å; L104-W106 VanDerWaalsContact C-N 3.34Å; L104-W106 PolarHBondContact O-N 3.44Å; L104-M107 HydrophobicContact CD2-CE 3.74Å; L104-M107 HydrophobicContact CG-CE 4.41Å; L104-M107 PolarHBondContact O-N 3.24Å; L104-L108 VanDerWaalsContact O-CD1 3.27Å; L104-L108 WeakPolarHBondContact O-CD1 3.49Å; L104-L108 VanDerWaalsContact O-CG 3.28Å; L104-L108 WeakPolarHBondContact O-CG 3.07Å
105	F	92.8	Very high	91.6	Very high	1 Å²	1	63 Å²	63	0%	0.004	31%	0.31	C	S	.	.	H	α-helix	trans	-71	-27.4	-174.1	-64.5	-77.9	0	0	0	113.8	A80 L82 F102 S103 I112 V115 I139 A165 A166	A80-F105 HydrophobicContact CB-CE1 4.45Å; A80-F105 HydrophobicContact CB-CE2 4.28Å; A80-F105 HydrophobicContact CB-CZ 3.69Å; L82-F105 HydrophobicContact CD2-CD1 3.8Å; L82-F105 HydrophobicContact CD2-CE1 3.8Å; F102-F105 HydrophobicContact CB-CD2 4.11Å; F102-F105 AromaticContact CD1-CD2 3.5Å; F102-F105 HydrophobicContact CD1-CD2 3.5Å; F102-F105 VanDerWaalsContact CD1-CD2 3.5Å; F102-F105 AromaticContact CD1-CE2 3.63Å; F102-F105 HydrophobicContact CD1-CE2 3.63Å; F102-F105 HydrophobicContact CE1-CD2 4.39Å; F102-F105 HydrophobicContact CE1-CE2 4.14Å; F102-F105 HydrophobicContact CG-CD2 4.25Å; F102-F105 WeakPolarHBondContact O-CB 3.45Å; F102-F105 WeakPolarHBondContact O-CD2 3.49Å; F102-F105 PolarHBondContact O-N 2.84Å; S103-F105 PolarHBondContact O-N 2.91Å; F105-I112 HydrophobicContact CB-CD1 4.21Å; F105-I112 HydrophobicContact CD1-CD1 3.73Å; F105-I112 HydrophobicContact CG-CD1 4.46Å; F105-V115 HydrophobicContact CB-CG2 4.04Å; F105-V115 HydrophobicContact CD1-CG1 4.25Å; F105-V115 HydrophobicContact CD1-CG2 3.58Å; F105-V115 HydrophobicContact CD2-CG2 4.49Å; F105-V115 HydrophobicContact CE1-CG1 4.03Å; F105-V115 HydrophobicContact CE1-CG2 4.13Å; F105-V115 HydrophobicContact CE2-CG1 4.3Å; F105-V115 HydrophobicContact CG-CG1 4.5Å; F105-V115 HydrophobicContact CG-CG2 3.79Å; F105-V115 HydrophobicContact CZ-CG1 4.04Å; F105-I139 HydrophobicContact CB-CD1 4.37Å; F105-A165 WeakPolarHBondContact CZ-O 3.4Å; F105-A166 HydrophobicContact CE2-CB 4.13Å; F105-A166 HydrophobicContact CZ-CB 3.9Å
106	W	89.6	Confident	91.9	Very high	73 Å²	73	56.5 Å²	56.5	28%	0.277	28%	0.279	S	S	.	.	H	α-helix	trans	-101.7	-6.5	178.7	63.5	72.8	0	0	0	114.2	E99 F102 S103 L104 M134 R137 I139	E99-W106 HydrophobicContact CG-CH2 3.73Å; E99-W106 HydrophobicContact CG-CZ2 4.49Å; E99-W106 WeakPolarHBondContact O-CH2 3.39Å; F102-W106 HydrophobicContact CB-CE3 4.12Å; F102-W106 HydrophobicContact CB-CH2 4.2Å; F102-W106 HydrophobicContact CB-CZ3 3.42Å; F102-W106 VanDerWaalsContact CB-CZ3 3.42Å; F102-W106 VanDerWaalsContact O-CZ3 3.31Å; F102-W106 WeakPolarHBondContact O-CZ3 3.22Å; S103-W106 VanDerWaalsContact CA-CE2 3.42Å; S103-W106 PolarHBondContact O-N 3.25Å; L104-W106 VanDerWaalsContact C-N 3.34Å; L104-W106 PolarHBondContact O-N 3.44Å; W106-M134 HydrophobicContact CE3-SD 3.76Å; W106-M134 HydrophobicContact CZ3-SD 3.71Å; W106-R137 VanDerWaalsContact CZ2-CZ 3.45Å; W106-R137 VanDerWaalsContact CZ3-NH1 3.34Å; W106-I139 HydrophobicContact CB-CD1 3.84Å
107	M	89.4	Confident	92.2	Very high	120 Å²	120	52.7 Å²	52.7	59%	0.591	26%	0.259	S	S	*	.	H	α-helix	trans	-85.7	-12.6	175.5	-71.9	-171.8	-59	0	0	113	S103 L104	S103-M107 WeakPolarHBondContact O-CE 3.31Å; S103-M107 VanDerWaalsContact O-CG 3.28Å; S103-M107 WeakPolarHBondContact O-CG 3.21Å; S103-M107 PolarHBondContact O-N 3.1Å; L104-M107 HydrophobicContact CD2-CE 3.74Å; L104-M107 HydrophobicContact CG-CE 4.41Å; L104-M107 PolarHBondContact O-N 3.24Å
108	L	87.1	Confident	92.4	Very high	62 Å²	62	52.6 Å²	52.6	33%	0.325	26%	0.258	S	S	.	.	S	Bend	trans	-91.1	149.2	-175.4	-65.2	163.7	0	0	0	112.2	L82 L104 I112	L82-L108 HydrophobicContact CB-CD1 4.07Å; L82-L108 HydrophobicContact CD1-CD1 3.47Å; L82-L108 VanDerWaalsContact CD1-CD1 3.47Å; L82-L108 HydrophobicContact CD2-CD1 3.44Å; L82-L108 VanDerWaalsContact CD2-CD1 3.44Å; L82-L108 HydrophobicContact CG-CD1 3.82Å; L104-L108 VanDerWaalsContact O-CD1 3.27Å; L104-L108 WeakPolarHBondContact O-CD1 3.49Å; L104-L108 VanDerWaalsContact O-CG 3.28Å; L104-L108 WeakPolarHBondContact O-CG 3.07Å; L108-I112 HydrophobicContact CD1-CD1 4.32Å
109	E	85.6	Confident	92.5	Very high	112 Å²	112	50.4 Å²	50.4	52%	0.523	25%	0.245	S	C	.	.	S	Bend	trans	-119.7	134.6	166.5	-72.9	-72.8	-174.3	0	0	108.3	R44 R111	R44-E109 IonicContact CZ-OE1 2.67Å; R44-E109 IonicContact NE-OE1 3.63Å; R44-E109 IonicContact NH1-OE1 2.74Å; R44-E109 PolarHBondContact NH1-OE1 3.02Å; E109-R111 IonicContact OE1-NE 3.9Å; E109-R111 PolarHBondContact OE2-N 3.08Å
110	P	86.9	Confident	92.5	Very high	67 Å²	67	47.5 Å²	47.5	44%	0.435	23%	0.232	S	C	.	.	S	Bend	cis	-67.8	150.7	1.4	29.9	-35.8	0	0	0	113.1	I112 V162	P110-I112 PolarHBondContact O-N 3.49Å; P110-V162 HydrophobicContact CB-CG1 4.39Å; P110-V162 HydrophobicContact CB-CG2 4.45Å; P110-V162 HydrophobicContact CG-CG1 3.97Å; P110-V162 HydrophobicContact CG-CG2 4.27Å
111	R	90.6	Very high	92.4	Very high	148 Å²	148	44.3 Å²	44.3	56%	0.558	22%	0.22	S	C	*	.	P	Polyproline II helix	trans	-57.6	128.6	179.3	-69.6	-172.9	174	-158.3	-5.9	111.7	E109 E113 V162	E109-R111 IonicContact OE1-NE 3.9Å; E109-R111 PolarHBondContact OE2-N 3.08Å; R111-E113 PolarHBondContact O-N 3.04Å; R111-V162 WeakPolarHBondContact O-CG1 3.41Å
112	I	94	Very high	92.3	Very high	4 Å²	4	51.6 Å²	51.6	2%	0.021	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-73.9	124.7	175.5	-60.6	176.9	0	0	0	109.2	L82 P83 F105 L108 P110 I114 V115 I139 V162	L82-I112 HydrophobicContact CD2-CD1 4.17Å; P83-I112 HydrophobicContact CG-CG1 4.32Å; F105-I112 HydrophobicContact CB-CD1 4.21Å; F105-I112 HydrophobicContact CD1-CD1 3.73Å; F105-I112 HydrophobicContact CG-CD1 4.46Å; L108-I112 HydrophobicContact CD1-CD1 4.32Å; P110-I112 PolarHBondContact O-N 3.49Å; I112-I114 WeakPolarHBondContact CG2-O 3.28Å; I112-V115 HydrophobicContact CG2-CG2 3.73Å; I112-I139 WeakPolarHBondContact O-CG1 3.33Å; I112-V162 HydrophobicContact CG1-CG1 4.27Å
113	E	94	Very high	92.4	Very high	94 Å²	94	55.4 Å²	55.4	44%	0.439	27%	0.267	S	S	.	.			trans	-84.8	-36	-178.4	-63.8	177.1	-167.3	0	0	112.1	R111 A140 R161 V162	R111-E113 PolarHBondContact O-N 3.04Å; E113-A140 PolarHBondContact O-N 2.67Å; E113-R161 IonicContact OE2-CZ 3.32Å; E113-R161 IonicContact OE2-NE 2.78Å; E113-R161 PolarHBondContact OE2-NE 3.41Å; E113-R161 IonicContact OE2-NH2 2.78Å; E113-R161 PolarHBondContact OE2-NH2 2.78Å; E113-V162 PolarHBondContact N-O 2.81Å
114	I	95.5	Very high	92.5	Very high	15 Å²	15	57.2 Å²	57.2	8%	0.077	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	130.1	-174.1	-176.6	165.1	0	0	0	111	I112 A140 L156 T163 G164	I112-I114 WeakPolarHBondContact CG2-O 3.28Å; I114-A140 CarbonylContact C-O 3.46Å; I114-A140 WeakPolarHBondContact CA-O 3.31Å; I114-A140 HydrophobicContact CB-CB 4.3Å; I114-A140 HydrophobicContact CG1-CB 4.25Å; I114-L156 HydrophobicContact CD1-CD1 3.91Å; I114-L156 HydrophobicContact CG1-CD1 4.31Å; I114-L156 HydrophobicContact CG2-CD1 3.91Å; I114-L156 HydrophobicContact CG2-CD2 4.5Å; I114-T163 CarbonylContact O-C 3.43Å; I114-T163 VanDerWaalsContact O-CA 3.28Å; I114-T163 WeakPolarHBondContact O-CA 3.44Å; I114-T163 PolarHBondContact O-OG1 3.27Å; I114-G164 PolarHBondContact O-N 3.33Å
115	V	96.8	Very high	92.6	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	121.3	173.1	177.5	0	0	0	0	109.3	F102 F105 I112 V117 M134 I139 A140 V141 E142 G164	F102-V115 HydrophobicContact CD1-CG1 4.37Å; F102-V115 HydrophobicContact CE1-CG1 3.96Å; F105-V115 HydrophobicContact CB-CG2 4.04Å; F105-V115 HydrophobicContact CD1-CG1 4.25Å; F105-V115 HydrophobicContact CD1-CG2 3.58Å; F105-V115 HydrophobicContact CD2-CG2 4.49Å; F105-V115 HydrophobicContact CE1-CG1 4.03Å; F105-V115 HydrophobicContact CE1-CG2 4.13Å; F105-V115 HydrophobicContact CE2-CG1 4.3Å; F105-V115 HydrophobicContact CG-CG1 4.5Å; F105-V115 HydrophobicContact CG-CG2 3.79Å; F105-V115 HydrophobicContact CZ-CG1 4.04Å; I112-V115 HydrophobicContact CG2-CG2 3.73Å; V115-V117 HydrophobicContact CG1-CG2 4.22Å; V115-M134 HydrophobicContact CB-CE 4.22Å; V115-M134 HydrophobicContact CG2-CE 4Å; V115-I139 HydrophobicContact CB-CG2 4.31Å; V115-I139 HydrophobicContact CG2-CG2 3.67Å; V115-A140 PolarHBondContact N-O 2.89Å; V115-V141 WeakPolarHBondContact O-CA 3.39Å; V115-E142 PolarHBondContact O-N 2.72Å; V115-G164 VanDerWaalsContact CA-O 3.29Å; V115-G164 WeakPolarHBondContact CA-O 3.4Å
116	V	97.3	Very high	92.6	Very high	0 Å²	0	64 Å²	64	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	123	174.2	-169.8	0	0	0	0	109.2	E142 A149 T152 L156 G164 A165 A166	V116-E142 CarbonylContact C-O 3.48Å; V116-E142 WeakPolarHBondContact CA-O 3.41Å; V116-A149 HydrophobicContact CG1-CB 3.7Å; V116-T152 HydrophobicContact CG1-CG2 4.43Å; V116-T152 HydrophobicContact CG2-CG2 4.05Å; V116-L156 HydrophobicContact CG2-CD1 3.76Å; V116-G164 PolarHBondContact N-O 3.02Å; V116-A165 CarbonylContact O-C 3.6Å; V116-A165 WeakPolarHBondContact O-CA 2.93Å; V116-A166 PolarHBondContact O-N 3.12Å
117	V	97.4	Very high	92.7	Very high	0 Å²	0	65.3 Å²	65.3	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	116.4	-178.3	-174.9	0	0	0	0	109.2	W89 I97 F102 V115 T119 L126 V141 E142 V143 Q144 A166	W89-V117 HydrophobicContact CH2-CG1 4.47Å; I97-V117 HydrophobicContact CD1-CG1 4.35Å; F102-V117 HydrophobicContact CE1-CG2 3.78Å; F102-V117 HydrophobicContact CZ-CG2 3.67Å; V115-V117 HydrophobicContact CG1-CG2 4.22Å; V117-T119 HydrophobicContact CG1-CG2 4.25Å; V117-L126 HydrophobicContact CB-CD1 4.43Å; V117-L126 HydrophobicContact CG1-CD1 4.21Å; V117-L126 HydrophobicContact CG2-CD1 4.24Å; V117-V141 HydrophobicContact CG2-CG1 3.72Å; V117-E142 PolarHBondContact N-O 3.22Å; V117-V143 HydrophobicContact CB-CG2 4.43Å; V117-Q144 PolarHBondContact O-N 3.32Å; V117-A166 CarbonylContact C-O 3.52Å; V117-A166 VanDerWaalsContact CA-O 3.29Å; V117-A166 WeakPolarHBondContact CA-O 3.35Å; V117-A166 HydrophobicContact CG2-CB 4.44Å
118	G	96.4	Very high	92.9	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	110.1	173.6	0	0	0	0	0	110.6	G120 Q144 A166 I168	G118-G120 VanDerWaalsContact C-N 3.32Å; G118-G120 PolarHBondContact O-N 3.29Å; G118-Q144 WeakPolarHBondContact CA-O 3.33Å; G118-A166 PolarHBondContact N-O 2.96Å; G118-I168 WeakPolarHBondContact O-CB 3.16Å; G118-I168 PolarHBondContact O-N 3.01Å
119	T	95.3	Very high	93.2	Very high	11 Å²	11	66.2 Å²	66.2	7%	0.067	31%	0.311	C	S	.	.			trans	-87.1	6.5	-175.8	48	0	0	0	0	114.7	H94 V117 R122 E124 L126 V143 Q144	H94-T119 HydrophobicContact CB-CG2 4.02Å; V117-T119 HydrophobicContact CG1-CG2 4.25Å; T119-R122 PolarHBondContact OG1-O 3.37Å; T119-E124 HydrophobicContact CG2-CB 4.14Å; T119-E124 PolarHBondContact OG1-N 2.94Å; T119-L126 HydrophobicContact CG2-CD2 4.36Å; T119-V143 HydrophobicContact CG2-CG1 3.86Å; T119-Q144 PolarHBondContact N-O 3.1Å; T119-Q144 PolarHBondContact OG1-O 3.25Å
120	G	92.6	Very high	93.6	Very high	1 Å²	1	61 Å²	61	1%	0.01	29%	0.287	C	S	.	.	S	Bend	trans	109.9	-130	-178.6	0	0	0	0	0	112.3	G118 T146	G118-G120 VanDerWaalsContact C-N 3.32Å; G118-G120 PolarHBondContact O-N 3.29Å; G120-T146 WeakPolarHBondContact CA-OG1 3.5Å; G120-T146 PolarHBondContact N-OG1 2.95Å; G120-T146 VanDerWaalsContact O-CB 3.31Å; G120-T146 WeakPolarHBondContact O-CB 3.45Å; G120-T146 PolarHBondContact O-N 3.35Å; G120-T146 PolarHBondContact O-OG1 3.34Å
121	D	90.2	Very high	93.9	Very high	91 Å²	91	60.3 Å²	60.3	49%	0.487	28%	0.279	S	S	.	.	S	Bend	trans	-74.7	-24.8	-175.3	-173.3	51.8	0	0	0	113.4	P170	D121-P170 HydrophobicContact CB-CB 4.28Å
122	R	91.4	Very high	94.1	Very high	177 Å²	177	58.5 Å²	58.5	67%	0.668	28%	0.277	S	S	*	.	S	Bend	trans	-136	152.2	-177	-61.2	-178.1	-176.7	-173.9	-2	110.3	T119 E124	T119-R122 PolarHBondContact OG1-O 3.37Å; R122-E124 PolarHBondContact O-N 2.82Å
123	T	94.3	Very high	94.1	Very high	81 Å²	81	58.6 Å²	58.6	50%	0.497	28%	0.278	S	S	.	.			trans	-69.8	113.1	170.1	-53.1	0	0	0	0	109.4	V143 D145	T123-V143 HydrophobicContact CG2-CG1 4.39Å; T123-V143 WeakPolarHBondContact CG2-O 3.3Å; T123-D145 PolarHBondContact OG1-N 2.99Å
124	E	93.8	Very high	94.1	Very high	75 Å²	75	54.1 Å²	54.1	35%	0.35	26%	0.257	S	S	.	.			trans	-106.9	150.2	177.4	-69.2	-66.9	166.1	0	0	110.7	H94 T119 R122 L126 V143	H94-E124 HydrophobicContact CB-CB 4.01Å; H94-E124 HydrophobicContact CB-CG 4.49Å; T119-E124 HydrophobicContact CG2-CB 4.14Å; T119-E124 PolarHBondContact OG1-N 2.94Å; R122-E124 PolarHBondContact O-N 2.82Å; E124-L126 PolarHBondContact O-N 3.46Å; E124-V143 VanDerWaalsContact O-CG1 3.22Å; E124-V143 WeakPolarHBondContact O-CG1 3.36Å
125	R	92.6	Very high	94.1	Very high	207 Å²	207	62.5 Å²	62.5	78%	0.781	29%	0.288	S	S	*	.	P	Polyproline II helix	trans	-81.6	124.1	-179	-174.2	174	176.1	173.8	0	110.7
126	L	93.1	Very high	94	Very high	5 Å²	5	69.6 Å²	69.6	3%	0.026	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-74.1	155.6	170.7	-59.6	-175	0	0	0	111.9	I97 F102 V117 T119 E124 S128 L131 V141 V143	I97-L126 HydrophobicContact CB-CD2 4.22Å; I97-L126 HydrophobicContact CD1-CD2 3.43Å; I97-L126 VanDerWaalsContact CD1-CD2 3.43Å; I97-L126 HydrophobicContact CG1-CD2 4.41Å; I97-L126 HydrophobicContact CG2-CD2 4.08Å; F102-L126 HydrophobicContact CZ-CD1 4.41Å; V117-L126 HydrophobicContact CB-CD1 4.43Å; V117-L126 HydrophobicContact CG1-CD1 4.21Å; V117-L126 HydrophobicContact CG2-CD1 4.24Å; T119-L126 HydrophobicContact CG2-CD2 4.36Å; E124-L126 PolarHBondContact O-N 3.46Å; L126-S128 PolarHBondContact O-N 2.93Å; L126-L131 HydrophobicContact CB-CD2 4.35Å; L126-L131 HydrophobicContact CB-CG 4.3Å; L126-L131 HydrophobicContact CD1-CD2 4.2Å; L126-V141 HydrophobicContact CD1-CG1 4.21Å; L126-V143 HydrophobicContact CD1-CG2 3.56Å; L126-V143 HydrophobicContact CG-CG1 4.19Å; L126-V143 HydrophobicContact CG-CG2 3.81Å
127	Q	92.8	Very high	93.8	Very high	102 Å²	102	73.8 Å²	73.8	48%	0.477	34%	0.337	S	S	.	.	P	Polyproline II helix	trans	-59.2	132.7	174.2	-60.8	-178	4	0	0	110.5	Q129 V130 L131	Q127-Q129 PolarHBondContact O-N 3.49Å; Q127-Q129 VanDerWaalsContact O-N 3.14Å; Q127-V130 HydrophobicContact CB-CG2 4.17Å; Q127-V130 WeakPolarHBondContact O-CB 3.47Å; Q127-V130 PolarHBondContact O-N 3.01Å; Q127-L131 PolarHBondContact O-N 3.4Å
128	S	92.8	Very high	93.6	Very high	73 Å²	73	76.5 Å²	76.5	51%	0.51	37%	0.365	S	S	.	.	H	α-helix	trans	-57.6	-32.1	-177.5	-57.6	0	0	0	0	113	L126 V130 L131 Q132	L126-S128 PolarHBondContact O-N 2.93Å; S128-V130 VanDerWaalsContact C-N 3.35Å; S128-V130 PolarHBondContact O-N 3.48Å; S128-L131 PolarHBondContact O-N 2.77Å; S128-Q132 WeakPolarHBondContact O-CB 3.43Å; S128-Q132 PolarHBondContact O-N 2.83Å
129	Q	93.5	Very high	93.5	Very high	128 Å²	128	76.9 Å²	76.9	60%	0.598	37%	0.367	S	S	*	.	H	α-helix	trans	-62	-41.3	177.5	-176.2	175.6	-2.5	0	0	112	Q127 Q132 A133	Q127-Q129 PolarHBondContact O-N 3.49Å; Q127-Q129 VanDerWaalsContact O-N 3.14Å; Q129-Q132 PolarHBondContact O-N 2.82Å; Q129-A133 WeakPolarHBondContact O-CB 3.38Å; Q129-A133 PolarHBondContact O-N 2.99Å
130	V	93.6	Very high	93.6	Very high	3 Å²	3	78.9 Å²	78.9	2%	0.018	39%	0.385	C	S	.	.	H	α-helix	trans	-65.2	-46.4	178.7	177.8	0	0	0	0	110.6	F102 Q127 S128 Q132 A133 M134	F102-V130 HydrophobicContact CD2-CG1 3.56Å; F102-V130 HydrophobicContact CE2-CG1 3.48Å; F102-V130 VanDerWaalsContact CE2-CG1 3.48Å; Q127-V130 HydrophobicContact CB-CG2 4.17Å; Q127-V130 WeakPolarHBondContact O-CB 3.47Å; Q127-V130 PolarHBondContact O-N 3.01Å; S128-V130 VanDerWaalsContact C-N 3.35Å; S128-V130 PolarHBondContact O-N 3.48Å; V130-Q132 VanDerWaalsContact C-N 3.31Å; V130-Q132 PolarHBondContact O-N 2.89Å; V130-A133 PolarHBondContact O-N 3.49Å; V130-M134 VanDerWaalsContact O-CG 3.31Å; V130-M134 WeakPolarHBondContact O-CG 3.48Å; V130-M134 PolarHBondContact O-N 2.8Å
131	L	94	Very high	93.7	Very high	51 Å²	51	80.6 Å²	80.6	27%	0.267	39%	0.394	S	S	.	.	H	α-helix	trans	-62.1	-39	177.4	-64	176.1	0	0	0	112	L126 Q127 S128 R135 V141 V143	L126-L131 HydrophobicContact CB-CD2 4.35Å; L126-L131 HydrophobicContact CB-CG 4.3Å; L126-L131 HydrophobicContact CD1-CD2 4.2Å; Q127-L131 PolarHBondContact O-N 3.4Å; S128-L131 PolarHBondContact O-N 2.77Å; L131-R135 WeakPolarHBondContact O-CB 3.21Å; L131-R135 PolarHBondContact O-N 3.27Å; L131-V141 HydrophobicContact CD2-CB 3.83Å; L131-V141 HydrophobicContact CD2-CG1 3.72Å; L131-V141 HydrophobicContact CD2-CG2 4.48Å; L131-V143 HydrophobicContact CD2-CG2 4.45Å
132	Q	94.6	Very high	94	Very high	111 Å²	111	79.5 Å²	79.5	52%	0.519	39%	0.386	S	S	.	.	H	α-helix	trans	-66.7	-45.2	176.4	-176.5	175.4	8.8	0	0	111.7	S128 Q129 V130 M134 R135 Q136	S128-Q132 WeakPolarHBondContact O-CB 3.43Å; S128-Q132 PolarHBondContact O-N 2.83Å; Q129-Q132 PolarHBondContact O-N 2.82Å; V130-Q132 VanDerWaalsContact C-N 3.31Å; V130-Q132 PolarHBondContact O-N 2.89Å; Q132-M134 VanDerWaalsContact C-N 3.35Å; Q132-M134 PolarHBondContact O-N 2.96Å; Q132-R135 PolarHBondContact O-N 2.99Å; Q132-Q136 WeakPolarHBondContact O-CG 3.31Å; Q132-Q136 PolarHBondContact O-N 3.4Å
133	A	94.3	Very high	94.3	Very high	5 Å²	5	72.8 Å²	72.8	4%	0.041	37%	0.365	C	S	.	.	H	α-helix	trans	-62	-42.4	179.1	0	0	0	0	0	111.7	E99 Q129 V130 Q136 R137	E99-A133 HydrophobicContact CG-CB 4.04Å; Q129-A133 WeakPolarHBondContact O-CB 3.38Å; Q129-A133 PolarHBondContact O-N 2.99Å; V130-A133 PolarHBondContact O-N 3.49Å; A133-Q136 PolarHBondContact O-N 3.3Å; A133-R137 WeakPolarHBondContact O-CG 3.35Å; A133-R137 PolarHBondContact O-N 3.42Å
134	M	94.6	Very high	94.4	Very high	1 Å²	1	70.4 Å²	70.4	1%	0.005	35%	0.348	C	S	.	.	H	α-helix	trans	-63.6	-44.1	175	-69.5	-69.5	-80.7	0	0	111.9	F102 W106 V115 V130 Q132 Q136 R137 G138 I139 V141	F102-M134 HydrophobicContact CB-CE 4.22Å; F102-M134 HydrophobicContact CB-SD 3.66Å; F102-M134 HydrophobicContact CD1-CE 3.66Å; F102-M134 HydrophobicContact CD1-SD 4.16Å; F102-M134 HydrophobicContact CE1-CE 4.32Å; F102-M134 HydrophobicContact CG-CE 4.09Å; F102-M134 HydrophobicContact CG-SD 3.95Å; W106-M134 HydrophobicContact CE3-SD 3.76Å; W106-M134 HydrophobicContact CZ3-SD 3.71Å; V115-M134 HydrophobicContact CB-CE 4.22Å; V115-M134 HydrophobicContact CG2-CE 4Å; V130-M134 VanDerWaalsContact O-CG 3.31Å; V130-M134 WeakPolarHBondContact O-CG 3.48Å; V130-M134 PolarHBondContact O-N 2.8Å; Q132-M134 VanDerWaalsContact C-N 3.35Å; Q132-M134 PolarHBondContact O-N 2.96Å; M134-Q136 PolarHBondContact O-N 2.83Å; M134-R137 CarbonylContact O-C 3.55Å; M134-R137 PolarHBondContact O-N 3.05Å; M134-R137 VanDerWaalsContact O-N 3.1Å; M134-G138 PolarHBondContact O-N 2.77Å; M134-I139 CarbonylContact C-O 3.57Å; M134-I139 HydrophobicContact CE-CB 3.99Å; M134-I139 HydrophobicContact CE-CD1 4.19Å; M134-I139 HydrophobicContact CE-CG2 3.61Å; M134-I139 PolarHBondContact O-N 2.88Å; M134-I139 HydrophobicContact SD-CD1 4.46Å; M134-V141 HydrophobicContact CB-CG2 3.45Å; M134-V141 VanDerWaalsContact CB-CG2 3.45Å; M134-V141 HydrophobicContact CE-CG2 3.73Å; M134-V141 HydrophobicContact CG-CG2 3.67Å
135	R	94.1	Very high	94.4	Very high	191 Å²	191	68.2 Å²	68.2	72%	0.721	34%	0.339	S	S	*	.	H	α-helix	trans	-62	-41.3	176.8	-171.7	-174.6	-60.8	163	1.1	112.5	L131 Q132 R137 G138	L131-R135 WeakPolarHBondContact O-CB 3.21Å; L131-R135 PolarHBondContact O-N 3.27Å; Q132-R135 PolarHBondContact O-N 2.99Å; R135-R137 PolarHBondContact O-N 3.48Å; R135-G138 PolarHBondContact O-N 3Å
136	Q	94.4	Very high	94.5	Very high	148 Å²	148	58.3 Å²	58.3	69%	0.692	30%	0.302	S	S	*	.	H	α-helix	trans	-61.7	-29.2	176.2	-75.8	174	-10.2	0	0	112.4	Q132 A133 M134 G138	Q132-Q136 WeakPolarHBondContact O-CG 3.31Å; Q132-Q136 PolarHBondContact O-N 3.4Å; A133-Q136 PolarHBondContact O-N 3.3Å; M134-Q136 PolarHBondContact O-N 2.83Å; Q136-G138 VanDerWaalsContact C-N 3.28Å
137	R	93.4	Very high	94.6	Very high	88 Å²	88	59.6 Å²	59.6	33%	0.332	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-0.7	174.6	-65.8	177.3	176.1	107.7	7.7	113.6	E99 W106 A133 M134 R135 I139	E99-R137 IonicContact OE1-CZ 3.52Å; E99-R137 IonicContact OE1-NH1 3.18Å; E99-R137 PolarHBondContact OE1-NH1 2.92Å; E99-R137 IonicContact OE1-NH2 3.37Å; E99-R137 PolarHBondContact OE1-NH2 2.91Å; W106-R137 VanDerWaalsContact CZ2-CZ 3.45Å; W106-R137 VanDerWaalsContact CZ3-NH1 3.34Å; A133-R137 WeakPolarHBondContact O-CG 3.35Å; A133-R137 PolarHBondContact O-N 3.42Å; M134-R137 CarbonylContact O-C 3.55Å; M134-R137 PolarHBondContact O-N 3.05Å; M134-R137 VanDerWaalsContact O-N 3.1Å; R135-R137 PolarHBondContact O-N 3.48Å; R137-I139 HydrophobicContact CB-CG1 4.33Å
138	G	93.2	Very high	94.7	Very high	58 Å²	58	58.9 Å²	58.9	60%	0.598	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	80	17.4	-179.4	0	0	0	0	0	114.1	M134 R135 Q136	M134-G138 PolarHBondContact O-N 2.77Å; R135-G138 PolarHBondContact O-N 3Å; Q136-G138 VanDerWaalsContact C-N 3.28Å
139	I	95.8	Very high	94.9	Very high	8 Å²	8	55.4 Å²	55.4	4%	0.041	29%	0.285	C	S	.	.			trans	-103.2	120.1	-179.5	-48.5	-173.9	0	0	0	109	F105 W106 I112 V115 M134 R137	F105-I139 HydrophobicContact CB-CD1 4.37Å; W106-I139 HydrophobicContact CB-CD1 3.84Å; I112-I139 WeakPolarHBondContact O-CG1 3.33Å; V115-I139 HydrophobicContact CB-CG2 4.31Å; V115-I139 HydrophobicContact CG2-CG2 3.67Å; M134-I139 CarbonylContact C-O 3.57Å; M134-I139 HydrophobicContact CE-CB 3.99Å; M134-I139 HydrophobicContact CE-CD1 4.19Å; M134-I139 HydrophobicContact CE-CG2 3.61Å; M134-I139 PolarHBondContact O-N 2.88Å; M134-I139 HydrophobicContact SD-CD1 4.46Å; R137-I139 HydrophobicContact CB-CG1 4.33Å
140	A	95.8	Very high	95	Very high	53 Å²	53	49.3 Å²	49.3	44%	0.438	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	135.2	170.5	0	0	0	0	0	109.8	E113 I114 V115	E113-A140 PolarHBondContact O-N 2.67Å; I114-A140 CarbonylContact C-O 3.46Å; I114-A140 WeakPolarHBondContact CA-O 3.31Å; I114-A140 HydrophobicContact CB-CB 4.3Å; I114-A140 HydrophobicContact CG1-CB 4.25Å; V115-A140 PolarHBondContact N-O 2.89Å
141	V	96.4	Very high	95	Very high	36 Å²	36	51.9 Å²	51.9	22%	0.218	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	122.8	176.6	-179.3	0	0	0	0	108.6	V115 V117 L126 L131 M134 V143	V115-V141 WeakPolarHBondContact O-CA 3.39Å; V117-V141 HydrophobicContact CG2-CG1 3.72Å; L126-V141 HydrophobicContact CD1-CG1 4.21Å; L131-V141 HydrophobicContact CD2-CB 3.83Å; L131-V141 HydrophobicContact CD2-CG1 3.72Å; L131-V141 HydrophobicContact CD2-CG2 4.48Å; M134-V141 HydrophobicContact CB-CG2 3.45Å; M134-V141 VanDerWaalsContact CB-CG2 3.45Å; M134-V141 HydrophobicContact CE-CG2 3.73Å; M134-V141 HydrophobicContact CG-CG2 3.67Å; V141-V143 HydrophobicContact CG1-CG2 3.99Å
142	E	95.9	Very high	95.2	Very high	68 Å²	68	50.8 Å²	50.8	32%	0.318	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	122	174.6	-176.5	167	-173.6	0	0	108.9	V115 V116 V117 Q144	V115-E142 PolarHBondContact O-N 2.72Å; V116-E142 CarbonylContact C-O 3.48Å; V116-E142 WeakPolarHBondContact CA-O 3.41Å; V117-E142 PolarHBondContact N-O 3.22Å; E142-Q144 HydrophobicContact CG-CG 4.12Å; E142-Q144 PolarHBondContact OE1-NE2 3.48Å
143	V	96.6	Very high	95.2	Very high	36 Å²	36	45.5 Å²	45.5	22%	0.218	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	122.7	-176	-169.5	0	0	0	0	109	V117 T119 T123 E124 L126 L131 V141	V117-V143 HydrophobicContact CB-CG2 4.43Å; T119-V143 HydrophobicContact CG2-CG1 3.86Å; T123-V143 HydrophobicContact CG2-CG1 4.39Å; T123-V143 WeakPolarHBondContact CG2-O 3.3Å; E124-V143 VanDerWaalsContact O-CG1 3.22Å; E124-V143 WeakPolarHBondContact O-CG1 3.36Å; L126-V143 HydrophobicContact CD1-CG2 3.56Å; L126-V143 HydrophobicContact CG-CG1 4.19Å; L126-V143 HydrophobicContact CG-CG2 3.81Å; L131-V143 HydrophobicContact CD2-CG2 4.45Å; V141-V143 HydrophobicContact CG1-CG2 3.99Å
144	Q	96.6	Very high	95.2	Very high	32 Å²	32	45.9 Å²	45.9	15%	0.15	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	168	-177.4	-64.6	-179	-20.8	0	0	109.8	V117 G118 T119 E142 N148 A149 T152	V117-Q144 PolarHBondContact O-N 3.32Å; G118-Q144 WeakPolarHBondContact CA-O 3.33Å; T119-Q144 PolarHBondContact N-O 3.1Å; T119-Q144 PolarHBondContact OG1-O 3.25Å; E142-Q144 HydrophobicContact CG-CG 4.12Å; E142-Q144 PolarHBondContact OE1-NE2 3.48Å; Q144-N148 HydrophobicContact CB-CB 4.27Å; Q144-N148 PolarHBondContact OE1-O 3.3Å; Q144-A149 HydrophobicContact CB-CB 4.2Å; Q144-T152 PolarHBondContact NE2-OG1 3.08Å; Q144-T152 PolarHBondContact OE1-OG1 2.74Å
145	D	94.9	Very high	95.3	Very high	28 Å²	28	52.3 Å²	52.3	15%	0.15	28%	0.279	C	S	.	.			trans	-63.2	151.8	159.8	59.1	-58.8	0	0	0	110.1	T123 P147 N148 A149	T123-D145 PolarHBondContact OG1-N 2.99Å; D145-P147 VanDerWaalsContact C-CD 3.45Å; D145-P147 WeakPolarHBondContact OD2-CD 3.34Å; D145-N148 VanDerWaalsContact CG-ND2 3.26Å; D145-N148 PolarHBondContact O-N 3.41Å; D145-N148 WeakPolarHBondContact OD1-CB 3.3Å; D145-N148 PolarHBondContact OD1-ND2 3.42Å; D145-N148 PolarHBondContact OD2-ND2 3.01Å; D145-A149 VanDerWaalsContact O-CB 3.3Å; D145-A149 WeakPolarHBondContact O-CB 3.35Å; D145-A149 PolarHBondContact O-N 2.79Å
146	T	95.1	Very high	95.2	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-56.9	-41.2	-173.8	-65.1	0	0	0	0	114	F68 G120 A149 C150 I168	F68-T146 HydrophobicContact CE1-CG2 3.42Å; F68-T146 VanDerWaalsContact CE1-CG2 3.42Å; F68-T146 HydrophobicContact CZ-CG2 3.66Å; G120-T146 WeakPolarHBondContact CA-OG1 3.5Å; G120-T146 PolarHBondContact N-OG1 2.95Å; G120-T146 VanDerWaalsContact O-CB 3.31Å; G120-T146 WeakPolarHBondContact O-CB 3.45Å; G120-T146 PolarHBondContact O-N 3.35Å; G120-T146 PolarHBondContact O-OG1 3.34Å; T146-A149 PolarHBondContact O-N 3.3Å; T146-C150 PolarHBondContact O-N 3.36Å; T146-C150 PolarHBondContact O-SG 2.84Å; T146-I168 WeakPolarHBondContact CG2-O 3.44Å; T146-I168 PolarHBondContact OG1-O 3.5Å
147	P	93.3	Very high	95.1	Very high	32 Å²	32	37.6 Å²	37.6	21%	0.208	22%	0.22	C	C	.	.	H	α-helix	trans	-59.2	-48.5	176.3	-21.4	31.2	0	0	0	113.3	Y63 D145 C150 A151	Y63-P147 HydrophobicContact CE1-CB 3.83Å; Y63-P147 HydrophobicContact CE1-CG 4.03Å; Y63-P147 HydrophobicContact CE2-CG 4.36Å; Y63-P147 WeakPolarHBondContact OH-CB 3.31Å; Y63-P147 VanDerWaalsContact OH-CG 3.3Å; Y63-P147 WeakPolarHBondContact OH-CG 3.44Å; D145-P147 VanDerWaalsContact C-CD 3.45Å; D145-P147 WeakPolarHBondContact OD2-CD 3.34Å; P147-C150 PolarHBondContact O-N 3.37Å; P147-A151 PolarHBondContact O-N 3.07Å
148	N	95.8	Very high	94.9	Very high	86 Å²	86	41.2 Å²	41.2	46%	0.46	24%	0.241	S	C	.	.	H	α-helix	trans	-68.7	-39.2	178	-69.8	-34.7	0	0	0	111.4	Q144 D145 C150 A151 T152	Q144-N148 HydrophobicContact CB-CB 4.27Å; Q144-N148 PolarHBondContact OE1-O 3.3Å; D145-N148 VanDerWaalsContact CG-ND2 3.26Å; D145-N148 PolarHBondContact O-N 3.41Å; D145-N148 WeakPolarHBondContact OD1-CB 3.3Å; D145-N148 PolarHBondContact OD1-ND2 3.42Å; D145-N148 PolarHBondContact OD2-ND2 3.01Å; N148-C150 VanDerWaalsContact C-N 3.31Å; N148-C150 PolarHBondContact O-N 2.95Å; N148-A151 PolarHBondContact O-N 3.39Å; N148-A151 VanDerWaalsContact O-N 3.13Å; N148-T152 PolarHBondContact O-N 3.24Å; N148-T152 PolarHBondContact O-OG1 2.82Å
149	A	96.8	Very high	94.8	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-57.9	-42.7	175.4	0	0	0	0	0	112.1	V116 Q144 D145 T146 A151 T152 F153 L167	V116-A149 HydrophobicContact CG1-CB 3.7Å; Q144-A149 HydrophobicContact CB-CB 4.2Å; D145-A149 VanDerWaalsContact O-CB 3.3Å; D145-A149 WeakPolarHBondContact O-CB 3.35Å; D145-A149 PolarHBondContact O-N 2.79Å; T146-A149 PolarHBondContact O-N 3.3Å; A149-A151 PolarHBondContact O-N 3.13Å; A149-T152 PolarHBondContact O-N 2.72Å; A149-F153 VanDerWaalsContact O-CB 3.31Å; A149-F153 WeakPolarHBondContact O-CB 3.3Å; A149-F153 PolarHBondContact O-N 2.9Å; A149-L167 HydrophobicContact CB-CD2 3.79Å
150	C	95.4	Very high	94.4	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-60.4	-45.3	175.7	-65	0	0	0	0	111.6	I60 T146 P147 N148 N154 L176	I60-C150 HydrophobicContact CB-CB 4.43Å; I60-C150 HydrophobicContact CD1-CB 4.04Å; I60-C150 HydrophobicContact CG2-CB 4.15Å; T146-C150 PolarHBondContact O-N 3.36Å; T146-C150 PolarHBondContact O-SG 2.84Å; P147-C150 PolarHBondContact O-N 3.37Å; N148-C150 VanDerWaalsContact C-N 3.31Å; N148-C150 PolarHBondContact O-N 2.95Å; C150-N154 WeakPolarHBondContact O-CB 3.34Å; C150-N154 PolarHBondContact O-N 2.78Å; C150-N154 PolarHBondContact O-ND2 3.17Å; C150-L176 HydrophobicContact CB-CD1 4.34Å
151	A	94.9	Very high	94.2	Very high	57 Å²	57	48.3 Å²	48.3	47%	0.471	26%	0.263	S	S	.	.	H	α-helix	trans	-65.9	-44.5	-179.8	0	0	0	0	0	112	P147 N148 A149 N154 F155	P147-A151 PolarHBondContact O-N 3.07Å; N148-A151 PolarHBondContact O-N 3.39Å; N148-A151 VanDerWaalsContact O-N 3.13Å; A149-A151 PolarHBondContact O-N 3.13Å; A151-N154 PolarHBondContact O-N 3.15Å; A151-F155 WeakPolarHBondContact O-CB 3.28Å; A151-F155 PolarHBondContact O-N 3.11Å
152	T	96.4	Very high	93.9	Very high	29 Å²	29	48.3 Å²	48.3	18%	0.178	26%	0.263	C	S	.	.	H	α-helix	trans	-62.2	-46.2	177.4	-56.2	0	0	0	0	111.2	V116 Q144 N148 A149 N154 F155 L156	V116-T152 HydrophobicContact CG1-CG2 4.43Å; V116-T152 HydrophobicContact CG2-CG2 4.05Å; Q144-T152 PolarHBondContact NE2-OG1 3.08Å; Q144-T152 PolarHBondContact OE1-OG1 2.74Å; N148-T152 PolarHBondContact O-N 3.24Å; N148-T152 PolarHBondContact O-OG1 2.82Å; A149-T152 PolarHBondContact O-N 2.72Å; T152-N154 PolarHBondContact O-N 3.03Å; T152-F155 PolarHBondContact O-N 2.63Å; T152-L156 HydrophobicContact CG2-CD1 3.98Å; T152-L156 HydrophobicContact CG2-CG 4.48Å; T152-L156 VanDerWaalsContact O-CG 3.28Å; T152-L156 WeakPolarHBondContact O-CG 3.29Å; T152-L156 PolarHBondContact O-N 3.45Å
153	F	96.1	Very high	93.8	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-58.9	-48.9	175.8	174.8	-99	0	0	0	111.6	M58 I60 L81 A149 F155 L156 C157 T163 A165	M58-F153 HydrophobicContact CB-CE1 4.3Å; M58-F153 HydrophobicContact CB-CZ 4.15Å; M58-F153 WeakPolarHBondContact O-CE1 3.4Å; I60-F153 HydrophobicContact CD1-CB 4.35Å; I60-F153 HydrophobicContact CD1-CD1 3.52Å; I60-F153 HydrophobicContact CD1-CE1 4.17Å; I60-F153 HydrophobicContact CD1-CG 4.2Å; I60-F153 HydrophobicContact CG1-CD1 4.02Å; I60-F153 HydrophobicContact CG1-CE1 4.28Å; L81-F153 HydrophobicContact CB-CE1 4.4Å; L81-F153 HydrophobicContact CB-CE2 4.17Å; L81-F153 HydrophobicContact CB-CZ 3.8Å; L81-F153 HydrophobicContact CD2-CD1 4.34Å; L81-F153 HydrophobicContact CD2-CE1 3.59Å; L81-F153 HydrophobicContact CD2-CZ 3.83Å; L81-F153 HydrophobicContact CG-CZ 4.46Å; A149-F153 VanDerWaalsContact O-CB 3.31Å; A149-F153 WeakPolarHBondContact O-CB 3.3Å; A149-F153 PolarHBondContact O-N 2.9Å; F153-F155 VanDerWaalsContact C-N 3.29Å; F153-F155 PolarHBondContact O-N 2.87Å; F153-L156 PolarHBondContact O-N 3.38Å; F153-C157 VanDerWaalsContact CE1-SG 3.53Å; F153-C157 VanDerWaalsContact CE2-SG 3.58Å; F153-C157 WeakPolarHBondContact CZ-SG 3.48Å; F153-C157 WeakPolarHBondContact O-CB 3.2Å; F153-C157 PolarHBondContact O-N 3.41Å; F153-C157 PolarHBondContact O-SG 2.96Å; F153-C157 VanDerWaalsContact O-SG 3.39Å; F153-T163 HydrophobicContact CD2-CG2 3.89Å; F153-T163 HydrophobicContact CE2-CG2 3.8Å; F153-A165 HydrophobicContact CB-CB 4.22Å; F153-A165 HydrophobicContact CD2-CB 3.46Å; F153-A165 VanDerWaalsContact CD2-CB 3.46Å; F153-A165 HydrophobicContact CE2-CB 3.9Å; F153-A165 HydrophobicContact CG-CB 3.85Å
154	N	94.6	Very high	93.8	Very high	13 Å²	13	43.4 Å²	43.4	7%	0.07	24%	0.238	C	C	.	.	H	α-helix	trans	-58.3	-41	178.2	-78.4	-6.8	0	0	0	112.3	Y59 I60 C150 A151 T152 H158	Y59-N154 HydrophobicContact CD2-CB 3.96Å; Y59-N154 VanDerWaalsContact CE1-ND2 3.31Å; Y59-N154 WeakPolarHBondContact CE1-ND2 3.43Å; Y59-N154 HydrophobicContact CE2-CB 3.39Å; Y59-N154 VanDerWaalsContact CZ-CG 3.48Å; I60-N154 PolarHBondContact N-OD1 2.8Å; I60-N154 PolarHBondContact O-ND2 3.28Å; C150-N154 WeakPolarHBondContact O-CB 3.34Å; C150-N154 PolarHBondContact O-N 2.78Å; C150-N154 PolarHBondContact O-ND2 3.17Å; A151-N154 PolarHBondContact O-N 3.15Å; T152-N154 PolarHBondContact O-N 3.03Å; N154-H158 WeakPolarHBondContact O-CB 3.4Å; N154-H158 PolarHBondContact O-N 3.36Å
155	F	94.9	Very high	93.8	Very high	136 Å²	136	41.9 Å²	41.9	60%	0.596	23%	0.231	S	C	*	.	H	α-helix	trans	-63.6	-48.2	175.5	175.6	-95.1	0	0	0	112	A151 T152 F153 C157 H158 E159	A151-F155 WeakPolarHBondContact O-CB 3.28Å; A151-F155 PolarHBondContact O-N 3.11Å; T152-F155 PolarHBondContact O-N 2.63Å; F153-F155 VanDerWaalsContact C-N 3.29Å; F153-F155 PolarHBondContact O-N 2.87Å; F155-C157 VanDerWaalsContact C-N 3.34Å; F155-C157 PolarHBondContact O-N 2.92Å; F155-H158 WeakPolarHBondContact O-CB 3.35Å; F155-H158 PolarHBondContact O-N 3.49Å; F155-H158 VanDerWaalsContact O-N 3.16Å; F155-E159 PolarHBondContact O-N 3.24Å
156	L	93.6	Very high	93.9	Very high	11 Å²	11	40.6 Å²	40.6	6%	0.058	22%	0.224	C	C	.	.	H	α-helix	trans	-63.8	-39.1	179	-68.6	168.8	0	0	0	112.1	I114 V116 T152 F153 E159 G160 R161 T163	I114-L156 HydrophobicContact CD1-CD1 3.91Å; I114-L156 HydrophobicContact CG1-CD1 4.31Å; I114-L156 HydrophobicContact CG2-CD1 3.91Å; I114-L156 HydrophobicContact CG2-CD2 4.5Å; V116-L156 HydrophobicContact CG2-CD1 3.76Å; T152-L156 HydrophobicContact CG2-CD1 3.98Å; T152-L156 HydrophobicContact CG2-CG 4.48Å; T152-L156 VanDerWaalsContact O-CG 3.28Å; T152-L156 WeakPolarHBondContact O-CG 3.29Å; T152-L156 PolarHBondContact O-N 3.45Å; F153-L156 PolarHBondContact O-N 3.38Å; L156-E159 PolarHBondContact O-N 3.06Å; L156-G160 PolarHBondContact O-N 3.06Å; L156-R161 PolarHBondContact O-N 2.71Å; L156-T163 HydrophobicContact CB-CG2 3.82Å
157	C	90.9	Very high	93.9	Very high	18 Å²	18	40.6 Å²	40.6	12%	0.122	22%	0.224	C	C	.	.	H	α-helix	trans	-62.8	-42.4	172.8	-75.4	0	0	0	0	111.7	F153 F155 E159 G160 T163	F153-C157 VanDerWaalsContact CE1-SG 3.53Å; F153-C157 VanDerWaalsContact CE2-SG 3.58Å; F153-C157 WeakPolarHBondContact CZ-SG 3.48Å; F153-C157 WeakPolarHBondContact O-CB 3.2Å; F153-C157 PolarHBondContact O-N 3.41Å; F153-C157 PolarHBondContact O-SG 2.96Å; F153-C157 VanDerWaalsContact O-SG 3.39Å; F155-C157 VanDerWaalsContact C-N 3.34Å; F155-C157 PolarHBondContact O-N 2.92Å; C157-E159 VanDerWaalsContact C-N 3.31Å; C157-E159 PolarHBondContact O-N 3.05Å; C157-G160 PolarHBondContact O-N 3.14Å; C157-T163 HydrophobicContact CB-CG2 4.48Å; C157-T163 WeakPolarHBondContact SG-CG2 3.49Å
158	H	89.7	Confident	94	Very high	164 Å²	164	39.7 Å²	39.7	76%	0.759	22%	0.217	S	C	*	.	H	α-helix	trans	-65.6	-33.3	177.2	-178.7	-81.4	0	0	0	112.5	N154 F155 G160	N154-H158 WeakPolarHBondContact O-CB 3.4Å; N154-H158 PolarHBondContact O-N 3.36Å; F155-H158 WeakPolarHBondContact O-CB 3.35Å; F155-H158 PolarHBondContact O-N 3.49Å; F155-H158 VanDerWaalsContact O-N 3.16Å; H158-G160 PolarHBondContact O-N 3.38Å
159	E	91	Very high	93.9	Very high	119 Å²	119	36.4 Å²	36.4	56%	0.556	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-13.1	173	-162.9	-176.5	176.8	0	0	112.7	F155 L156 C157 R161	F155-E159 PolarHBondContact O-N 3.24Å; L156-E159 PolarHBondContact O-N 3.06Å; C157-E159 VanDerWaalsContact C-N 3.31Å; C157-E159 PolarHBondContact O-N 3.05Å; E159-R161 HydrophobicContact CB-CG 4.25Å; E159-R161 HydrophobicContact CG-CG 4.21Å; E159-R161 VanDerWaalsContact OE2-CD 3.32Å; E159-R161 WeakPolarHBondContact OE2-CD 3.5Å
160	G	87.7	Confident	93.6	Very high	66 Å²	66	36.5 Å²	36.5	68%	0.68	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.7	18.8	-177.7	0	0	0	0	0	113.4	L156 C157 H158	L156-G160 PolarHBondContact O-N 3.06Å; C157-G160 PolarHBondContact O-N 3.14Å; H158-G160 PolarHBondContact O-N 3.38Å
161	R	90.7	Very high	92.7	Very high	83 Å²	83	42.1 Å²	42.1	31%	0.313	24%	0.238	S	C	.	.			trans	-76.5	148.3	175.4	-65.3	-167.9	65	-150.2	-3.4	111	E113 L156 E159 T163	E113-R161 IonicContact OE2-CZ 3.32Å; E113-R161 IonicContact OE2-NE 2.78Å; E113-R161 PolarHBondContact OE2-NE 3.41Å; E113-R161 IonicContact OE2-NH2 2.78Å; E113-R161 PolarHBondContact OE2-NH2 2.78Å; L156-R161 PolarHBondContact O-N 2.71Å; E159-R161 HydrophobicContact CB-CG 4.25Å; E159-R161 HydrophobicContact CG-CG 4.21Å; E159-R161 VanDerWaalsContact OE2-CD 3.32Å; E159-R161 WeakPolarHBondContact OE2-CD 3.5Å; R161-T163 VanDerWaalsContact C-N 3.32Å; R161-T163 PolarHBondContact O-N 3.06Å
162	V	91.6	Very high	91.5	Very high	36 Å²	36	42 Å²	42	22%	0.218	24%	0.242	C	C	.	.			trans	-77.5	86.8	173.3	-168.7	0	0	0	0	108.8	P83 P110 R111 I112 E113	P83-V162 HydrophobicContact CG-CG1 3.84Å; P110-V162 HydrophobicContact CB-CG1 4.39Å; P110-V162 HydrophobicContact CB-CG2 4.45Å; P110-V162 HydrophobicContact CG-CG1 3.97Å; P110-V162 HydrophobicContact CG-CG2 4.27Å; R111-V162 WeakPolarHBondContact O-CG1 3.41Å; I112-V162 HydrophobicContact CG1-CG1 4.27Å; E113-V162 PolarHBondContact N-O 2.81Å
163	T	94.4	Very high	89.5	Confident	2 Å²	2	42.3 Å²	42.3	1%	0.012	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	150.7	-178.3	-173.5	0	0	0	0	112.1	I114 F153 L156 C157 R161	I114-T163 CarbonylContact O-C 3.43Å; I114-T163 VanDerWaalsContact O-CA 3.28Å; I114-T163 WeakPolarHBondContact O-CA 3.44Å; I114-T163 PolarHBondContact O-OG1 3.27Å; F153-T163 HydrophobicContact CD2-CG2 3.89Å; F153-T163 HydrophobicContact CE2-CG2 3.8Å; L156-T163 HydrophobicContact CB-CG2 3.82Å; C157-T163 HydrophobicContact CB-CG2 4.48Å; C157-T163 WeakPolarHBondContact SG-CG2 3.49Å; R161-T163 VanDerWaalsContact C-N 3.32Å; R161-T163 PolarHBondContact O-N 3.06Å
164	G	95.6	Very high	87.4	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	165.8	165.3	0	0	0	0	0	110.8	L81 I114 V115 V116	L81-G164 CarbonylContact O-C 3.58Å; L81-G164 WeakPolarHBondContact O-CA 3.37Å; I114-G164 PolarHBondContact O-N 3.33Å; V115-G164 VanDerWaalsContact CA-O 3.29Å; V115-G164 WeakPolarHBondContact CA-O 3.4Å; V116-G164 PolarHBondContact N-O 3.02Å
165	A	96.8	Very high	85.4	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	147.2	169.1	0	0	0	0	0	111.4	A80 L81 F105 V116 F153 L167	A80-A165 CarbonylContact C-O 3.36Å; A80-A165 VanDerWaalsContact CA-O 3.22Å; A80-A165 WeakPolarHBondContact CA-O 3.32Å; L81-A165 HydrophobicContact CB-CB 4.22Å; L81-A165 HydrophobicContact CD1-CB 4.15Å; L81-A165 PolarHBondContact N-O 2.98Å; L81-A165 PolarHBondContact O-N 2.76Å; F105-A165 WeakPolarHBondContact CZ-O 3.4Å; V116-A165 CarbonylContact O-C 3.6Å; V116-A165 WeakPolarHBondContact O-CA 2.93Å; F153-A165 HydrophobicContact CB-CB 4.22Å; F153-A165 HydrophobicContact CD2-CB 3.46Å; F153-A165 VanDerWaalsContact CD2-CB 3.46Å; F153-A165 HydrophobicContact CE2-CB 3.9Å; F153-A165 HydrophobicContact CG-CB 3.85Å; A165-L167 HydrophobicContact CB-CD1 4.43Å; A165-L167 HydrophobicContact CB-CD2 4.19Å; A165-L167 HydrophobicContact CB-CG 4.1Å
166	A	96.8	Very high	83.4	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	107.3	172.5	0	0	0	0	0	107.8	W89 F102 F105 V116 V117 G118	W89-A166 HydrophobicContact CD2-CB 4.24Å; W89-A166 HydrophobicContact CE3-CB 3.99Å; W89-A166 HydrophobicContact CH2-CB 3.79Å; W89-A166 HydrophobicContact CZ2-CB 4.03Å; W89-A166 HydrophobicContact CZ3-CB 3.76Å; F102-A166 HydrophobicContact CE1-CB 4.16Å; F105-A166 HydrophobicContact CE2-CB 4.13Å; F105-A166 HydrophobicContact CZ-CB 3.9Å; V116-A166 PolarHBondContact O-N 3.12Å; V117-A166 CarbonylContact C-O 3.52Å; V117-A166 VanDerWaalsContact CA-O 3.29Å; V117-A166 WeakPolarHBondContact CA-O 3.35Å; V117-A166 HydrophobicContact CG2-CB 4.44Å; G118-A166 PolarHBondContact N-O 2.96Å
167	L	96.2	Very high	81.3	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	130.8	-166.2	-56.1	177.3	0	0	0	111.3	I60 F68 P78 C79 L81 A149 A165	I60-L167 HydrophobicContact CD1-CD1 3.55Å; F68-L167 HydrophobicContact CD1-CD1 4.2Å; F68-L167 HydrophobicContact CE1-CB 3.99Å; F68-L167 HydrophobicContact CE1-CD1 3.98Å; F68-L167 HydrophobicContact CE2-CB 3.83Å; F68-L167 HydrophobicContact CZ-CB 3.47Å; F68-L167 VanDerWaalsContact CZ-CB 3.47Å; F68-L167 HydrophobicContact CZ-CD1 4.3Å; P78-L167 CarbonylContact C-O 3.53Å; P78-L167 WeakPolarHBondContact CA-O 3.3Å; C79-L167 PolarHBondContact N-O 2.64Å; C79-L167 PolarHBondContact O-N 3.28Å; L81-L167 HydrophobicContact CD1-CD1 3.58Å; L81-L167 HydrophobicContact CD1-CG 4.09Å; A149-L167 HydrophobicContact CB-CD2 3.79Å; A165-L167 HydrophobicContact CB-CD1 4.43Å; A165-L167 HydrophobicContact CB-CD2 4.19Å; A165-L167 HydrophobicContact CB-CG 4.1Å
168	I	95.3	Very high	79.1	Confident	14 Å²	14	59.1 Å²	59.1	7%	0.072	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-102.4	127.4	169.6	-56.8	178.9	0	0	0	107.7	P78 W89 V91 I97 G118 T146	P78-I168 HydrophobicContact CB-CG1 4.49Å; W89-I168 HydrophobicContact CE3-CG1 4.29Å; W89-I168 HydrophobicContact CZ3-CD1 4.18Å; W89-I168 HydrophobicContact CZ3-CG1 3.77Å; V91-I168 HydrophobicContact CG2-CD1 4.25Å; V91-I168 HydrophobicContact CG2-CG1 4.26Å; I97-I168 HydrophobicContact CD1-CD1 4.31Å; G118-I168 WeakPolarHBondContact O-CB 3.16Å; G118-I168 PolarHBondContact O-N 3.01Å; T146-I168 WeakPolarHBondContact CG2-O 3.44Å; T146-I168 PolarHBondContact OG1-O 3.5Å
169	P	93.2	Very high	77.2	Confident	17 Å²	17	60.3 Å²	60.3	11%	0.11	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-64.4	136.1	176.5	26.5	-32	0	0	0	110	F68	F68-P169 HydrophobicContact CE2-CB 4.13Å; F68-P169 HydrophobicContact CZ-CB 4.24Å
170	P	89.7	Confident	75	Confident	2 Å²	2	57.6 Å²	57.6	1%	0.013	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-65.4	139.2	179.8	26.4	-33.1	0	0	0	110.2	Y63 S65 D121 G172	Y63-P170 HydrophobicContact CD2-CG 3.8Å; Y63-P170 HydrophobicContact CE2-CG 3.86Å; S65-P170 WeakPolarHBondContact CA-O 3.48Å; D121-P170 HydrophobicContact CB-CB 4.28Å; P170-G172 PolarHBondContact O-N 3.4Å
171	P	76.8	Confident	72.9	Confident	118 Å²	118	64.2 Å²	64.2	77%	0.766	38%	0.38	S	S	*	.	S	Bend	trans	-72.9	71.2	178.9	30.8	-35.8	0	0	0	111.1
172	G	70.1	Confident	70.6	Confident	54 Å²	54	65.2 Å²	65.2	56%	0.557	41%	0.406	S	S	*	.	S	Bend	trans	86.1	95.3	172.9	0	0	0	0	0	114.9	P170	P170-G172 PolarHBondContact O-N 3.4Å
173	G	54.4	Low	68.1	Low	35 Å²	35	67.9 Å²	67.9	36%	0.361	43%	0.432	S	S	.	.			trans	163.5	110.6	167.5	0	0	0	0	0	114.2
174	T	52.4	Low	65.4	Low	116 Å²	116	81 Å²	81	71%	0.712	49%	0.493	S	S	*	.			trans	70.1	111.5	160.1	-22.4	0	0	0	0	117.8	Y63 L176	Y63-T174 WeakPolarHBondContact CE2-O 3.22Å; Y63-T174 PolarHBondContact OH-O 3.14Å; T174-L176 PolarHBondContact O-N 3.33Å
175	S	52	Low	63.9	Low	78 Å²	78	85 Å²	85	55%	0.545	52%	0.518	S	S	.	.	P	Polyproline II helix	trans	-63.1	124.4	164	-174	0	0	0	0	109	Y63 K177	Y63-S175 WeakPolarHBondContact O-CA 3.42Å; S175-K177 PolarHBondContact O-N 3.18Å
176	L	52	Low	62.2	Low	64 Å²	64	89.5 Å²	89.5	34%	0.335	55%	0.545	S	S	.	.	P	Polyproline II helix	trans	-53.5	118.5	154.5	-93.1	170	0	0	0	106.7	S62 Y63 C150 T174	S62-L176 WeakPolarHBondContact CB-O 3.33Å; Y63-L176 HydrophobicContact CD1-CB 4.25Å; Y63-L176 HydrophobicContact CD1-CD1 3.39Å; Y63-L176 HydrophobicContact CD1-CG 3.8Å; Y63-L176 HydrophobicContact CE1-CB 4.05Å; Y63-L176 HydrophobicContact CE1-CD1 3.23Å; Y63-L176 HydrophobicContact CE1-CD2 4.44Å; Y63-L176 HydrophobicContact CE1-CG 3.27Å; C150-L176 HydrophobicContact CB-CD1 4.34Å; T174-L176 PolarHBondContact O-N 3.33Å
177	K	50.3	Low	60.3	Low	186 Å²	186	94.4 Å²	94.4	81%	0.809	58%	0.575	S	S	*	*	P	Polyproline II helix	trans	-71.1	130.3	165.6	-97.5	-177.8	173.8	179.6	0	106.6	S175 L179	S175-K177 PolarHBondContact O-N 3.18Å; K177-L179 PolarHBondContact O-N 2.86Å
178	P	45.3	Very low	58.1	Low	88 Å²	88	100 Å²	100	57%	0.571	61%	0.609	S	S	*	*	P	Polyproline II helix	trans	-59.9	131.2	175.3	22.6	-29.9	0	0	0	109.7	G180	P178-G180 PolarHBondContact O-N 2.87Å; P178-G180 VanDerWaalsContact O-N 3.12Å
179	L	48.2	Very low	55.8	Low	188 Å²	188	105.4 Å²	105.4	98%	0.984	64%	0.643	S	S	*	*	S	Bend	trans	-70.3	99.7	164.7	-99.1	130.7	0	0	0	107.5	K177	K177-L179 PolarHBondContact O-N 2.86Å
180	G	45.6	Very low	53.3	Low	63 Å²	63	111.3 Å²	111.3	65%	0.649	68%	0.678	S	S	*	*			trans	126.4	78.3	163.1	0	0	0	0	0	116.2	P178	P178-G180 PolarHBondContact O-N 2.87Å; P178-G180 VanDerWaalsContact O-N 3.12Å
181	Q	44	Very low	50.7	Low	205 Å²	205	119.1 Å²	119.1	96%	0.958	73%	0.726	S	S	*	*			trans	-144.2	80.1	132.2	-77.9	-160.8	-14.1	0	0	108.4
182	A	42.4	Very low	48.7	Very low	103 Å²	103	119.2 Å²	119.2	85%	0.851	72%	0.722	S	S	*	*			trans	-119.1	87.4	158.2	0	0	0	0	0	106.1
183	A	38.3	Very low	46.9	Very low	93 Å²	93	124.6 Å²	124.6	77%	0.769	74%	0.736	S	S	*	*			trans	163	94.1	157.3	0	0	0	0	0	109.3
184	Q	38.3	Very low	46.3	Very low	276 Å²	276	132.7 Å²	132.7	100%	1.29	77%	0.77	S	S	*	*				-179.8	0	127.2	-95.5	173.9	17.8	0	0	109.1

Retrieved 184 of 184 residues in 717.3 ms (Link to these results)

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