A0A087XST8_POEFO Loading...

GTP cyclohydrolase 1

AlphaFold DB , UniProt , Accession A0A087XST8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 255 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	41.3	Very low	35.5	Very low	249 Å²	249	170.5 Å²	170.5	100%	1.227	85%	0.853	S	S	*	*				0	98.8	0	-83.3	170.8	168.4	0	0	107.5
2	E	36.5	Very low	34.9	Very low	171 Å²	171	163.2 Å²	163.2	80%	0.799	85%	0.852	S	S	*	*			trans	-61	150.7	168.4	-76.4	169	99.9	0	0	110.5
3	H	38.6	Very low	34.8	Very low	196 Å²	196	162.8 Å²	162.8	91%	0.907	85%	0.852	S	S	*	*				-152.6	110.5	124.6	-94.8	-51.6	0	0	0	111.7
4	S	36.9	Very low	34.5	Very low	92 Å²	92	169.2 Å²	169.2	64%	0.643	86%	0.859	S	S	*	*			trans	-65.1	146.7	159.7	173.6	0	0	0	0	111.5
5	K	41.1	Very low	34.4	Very low	208 Å²	208	170.4 Å²	170.4	90%	0.904	86%	0.856	S	S	*	*			trans	-158.9	109.6	139.9	-112.6	169.8	-173.9	178.8	0	112.2
6	K	36.6	Very low	34.1	Very low	187 Å²	187	169.3 Å²	169.3	81%	0.813	85%	0.853	S	S	*	*			trans	-71.9	152	155.9	-78.9	172.4	171.5	170.2	0	109.7
7	T	34	Very low	34.2	Very low	143 Å²	143	165.9 Å²	165.9	88%	0.877	85%	0.849	S	S	*	*			trans	-139.5	125.2	150.2	11	0	0	0	0	110.4
8	K	33.6	Very low	34.7	Very low	193 Å²	193	163.4 Å²	163.4	84%	0.839	85%	0.846	S	S	*	*			trans	-99.7	150.1	169.3	-84.6	-179.6	168.5	-175.3	0	108.8
9	Y	31.1	Very low	34.4	Very low	223 Å²	223	159.8 Å²	159.8	88%	0.875	84%	0.843	S	S	*	*			trans	-157.7	114.9	149	-98.9	-84.8	0	0	0	103.7
10	S	29.7	Very low	34.2	Very low	101 Å²	101	160.2 Å²	160.2	71%	0.706	85%	0.845	S	S	*	*				49.4	130.1	55.6	-152.5	0	0	0	0	112
11	S	31	Very low	33.8	Very low	113 Å²	113	155.8 Å²	155.8	79%	0.79	84%	0.838	S	S	*	*			cis	-179.9	150.9	-1.8	35.7	0	0	0	0	105
12	G	28.4	Very low	33.2	Very low	82 Å²	82	147.5 Å²	147.5	85%	0.845	82%	0.817	S	S	*	*			trans	-175	91.1	172.2	0	0	0	0	0	113.5
13	D	33.5	Very low	33	Very low	159 Å²	159	144.1 Å²	144.1	85%	0.85	82%	0.818	S	S	*	*			trans	-65.1	150.6	166.9	-74	-52.5	0	0	0	112.7
14	R	31	Very low	32.6	Very low	252 Å²	252	140.6 Å²	140.6	95%	0.951	81%	0.81	S	S	*	*				-174	135.5	120.5	-98.8	170.2	-157.4	-163.8	5.7	113
15	K	32.8	Very low	32.4	Very low	187 Å²	187	144.7 Å²	144.7	81%	0.813	82%	0.824	S	S	*	*			trans	-63.3	155.6	172.2	-69.2	164.2	158.1	176.6	0	112.8
16	D	30.3	Very low	31.9	Very low	152 Å²	152	142 Å²	142	81%	0.813	82%	0.82	S	S	*	*				166.9	135.2	109.6	-81	-31.6	0	0	0	111.7
17	S	34.7	Very low	31.5	Very low	112 Å²	112	136.8 Å²	136.8	78%	0.783	82%	0.819	S	S	*	*			trans	-108.4	167.6	158	-58.6	0	0	0	0	106.2
18	P	42.8	Very low	31.4	Very low	121 Å²	121	139.4 Å²	139.4	79%	0.786	82%	0.821	S	S	*	*			cis	-155.6	-172.5	36.7	40	-15.6	0	0	0	117.9
19	A	29.4	Very low	31.2	Very low	96 Å²	96	140 Å²	140	79%	0.793	82%	0.824	S	S	*	*			trans	68	151.5	156.3	0	0	0	0	0	117.1
20	D	30.1	Very low	31.4	Very low	166 Å²	166	137.2 Å²	137.2	89%	0.888	82%	0.824	S	S	*	*			cis	-170.1	164.9	25.8	-168.7	8.6	0	0	0	109.1
21	G	27.3	Very low	31.5	Very low	68 Å²	68	135 Å²	135	70%	0.701	82%	0.818	S	S	*	*			trans	116.1	109.8	138.9	0	0	0	0	0	120.9
22	G	28	Very low	31.8	Very low	76 Å²	76	139.1 Å²	139.1	78%	0.784	83%	0.827	S	S	*	*			trans	107.6	86.1	138.6	0	0	0	0	0	116.7
23	A	31.3	Very low	32.2	Very low	99 Å²	99	141.6 Å²	141.6	82%	0.818	83%	0.825	S	S	*	*				77.1	101.9	77.3	0	0	0	0	0	115.7
24	V	31.7	Very low	32.4	Very low	123 Å²	123	143.4 Å²	143.4	75%	0.745	83%	0.826	S	S	*	*			trans	-9	133.9	144.1	-162.6	0	0	0	0	117
25	L	31.4	Very low	32.5	Very low	177 Å²	177	142.9 Å²	142.9	93%	0.927	82%	0.823	S	S	*	*			trans	-142.9	106.9	144.1	-83.5	177.2	0	0	0	111.3
26	N	30.7	Very low	32.6	Very low	152 Å²	152	139.4 Å²	139.4	81%	0.813	82%	0.82	S	S	*	*			trans	-70.3	130.1	158.8	-83.9	-25.1	0	0	0	109
27	G	29.7	Very low	33	Very low	78 Å²	78	137.1 Å²	137.1	80%	0.804	82%	0.823	S	S	*	*			trans	-120.5	93.3	167.9	0	0	0	0	0	110.2
28	H	30	Very low	33	Very low	198 Å²	198	138.1 Å²	138.1	92%	0.917	82%	0.823	S	S	*	*			trans	-69.5	126	161.2	-89.7	-20.1	0	0	0	108.8
29	F	29.7	Very low	32.6	Very low	204 Å²	204	136.7 Å²	136.7	90%	0.895	82%	0.822	S	S	*	*			trans	-116.4	110.7	168	-140.4	-93.1	0	0	0	107.9
30	D	36.5	Very low	32.9	Very low	165 Å²	165	137.9 Å²	137.9	88%	0.882	82%	0.824	S	S	*	*			trans	-86.4	117.5	176.5	-158.8	5.3	0	0	0	108
31	G	31.1	Very low	33.1	Very low	56 Å²	56	135.7 Å²	135.7	58%	0.577	82%	0.819	S	S	*	*			trans	-155.6	87.9	-168.9	0	0	0	0	0	111.1	V33	G31-V33 PolarHBondContact O-N 2.75Å; G31-V33 VanDerWaalsContact O-N 3.17Å
32	M	36.3	Very low	33.7	Very low	198 Å²	198	137.2 Å²	137.2	98%	0.975	83%	0.826	S	S	*	*			trans	-69.8	101.7	178.8	-156.7	162.5	178.5	0	0	110.3
33	V	37.7	Very low	33.9	Very low	134 Å²	134	138.5 Å²	138.5	81%	0.812	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-101.4	121.4	176	-178.2	0	0	0	0	110.3	G31	G31-V33 PolarHBondContact O-N 2.75Å; G31-V33 VanDerWaalsContact O-N 3.17Å
34	K	37	Very low	34.1	Very low	198 Å²	198	142.5 Å²	142.5	86%	0.861	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-61.9	131.4	176.1	-73.8	175.8	174.3	176.4	0	111.3
35	R	34.7	Very low	34.5	Very low	240 Å²	240	143.1 Å²	143.1	91%	0.906	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-74.8	134.9	170.8	-77.1	179.3	162.8	-172.1	-5.3	111.2
36	P	34.6	Very low	34.7	Very low	114 Å²	114	138.3 Å²	138.3	74%	0.74	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-86.1	135.9	157.1	22.4	-8.7	0	0	0	110.2
37	A	37.8	Very low	35.4	Very low	105 Å²	105	136 Å²	136	87%	0.868	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-70.7	128.6	170	0	0	0	0	0	109.7
38	V	35.5	Very low	36.1	Very low	132 Å²	132	140.9 Å²	140.9	80%	0.8	83%	0.827	S	S	*	*			trans	-124.8	123.1	170.5	-176.2	0	0	0	0	107.9
39	A	34.8	Very low	36.4	Very low	92 Å²	92	142.4 Å²	142.4	76%	0.76	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-61.9	141.2	180	0	0	0	0	0	111.7
40	S	34.1	Very low	37	Very low	120 Å²	120	136.4 Å²	136.4	84%	0.839	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-73.8	133.5	174.5	-53.1	0	0	0	0	111.1
41	P	36.1	Very low	37.5	Very low	120 Å²	120	131.9 Å²	131.9	78%	0.779	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-85.4	133.6	156.4	24.9	-12.8	0	0	0	109.1	A43	P41-A43 PolarHBondContact O-N 3.05Å
42	A	37.9	Very low	38.4	Very low	101 Å²	101	131.8 Å²	131.8	84%	0.835	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-57.5	130.3	171.6	0	0	0	0	0	110.2
43	A	33	Very low	39.1	Very low	103 Å²	103	126.1 Å²	126.1	85%	0.851	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-91	117.9	172.9	0	0	0	0	0	109.2	P41	P41-A43 PolarHBondContact O-N 3.05Å
44	E	36.6	Very low	39.8	Very low	182 Å²	182	122.7 Å²	122.7	85%	0.85	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-73.4	150.9	164.3	-68.6	-161.3	161.8	0	0	110.9	G46	E44-G46 PolarHBondContact O-N 3.04Å
45	P	39.8	Very low	40.7	Very low	136 Å²	136	117.8 Å²	117.8	88%	0.883	72%	0.722	S	S	*	*			trans	-82.7	105.2	-178.5	32.5	-29.6	0	0	0	110.3
46	G	36	Very low	41.6	Very low	76 Å²	76	110.8 Å²	110.8	78%	0.784	70%	0.7	S	S	*	*			trans	-124.8	81.6	171	0	0	0	0	0	111.5	E44	E44-G46 PolarHBondContact O-N 3.04Å
47	S	45.4	Very low	42.5	Very low	103 Å²	103	109.2 Å²	109.2	72%	0.72	69%	0.692	S	S	*	*			trans	-110.1	89.2	177.4	68.8	0	0	0	0	112.2
48	H	44.1	Very low	43.6	Very low	181 Å²	181	107 Å²	107	84%	0.838	66%	0.661	S	S	*	*			trans	-147	18	162.8	-84.7	-62.8	0	0	0	114.3
49	R	36.1	Very low	44.5	Very low	230 Å²	230	107 Å²	107	87%	0.868	65%	0.65	S	S	*	*	S	Bend	trans	-104.9	-7.8	-169.2	-143.3	173.9	-176.8	177.7	0.4	116.7
50	A	41.1	Very low	45.5	Very low	78 Å²	78	110.7 Å²	110.7	65%	0.645	65%	0.652	S	S	*	*	H	α-helix	trans	-88.6	-18.2	-175.6	0	0	0	0	0	114.3
51	T	46.8	Very low	46.9	Very low	70 Å²	70	112 Å²	112	43%	0.429	64%	0.644	S	S	.	*	H	α-helix	trans	-78.2	-31.2	-176.4	49.3	0	0	0	0	113.4	M55	T51-M55 PolarHBondContact O-N 3.24Å
52	S	50.1	Low	48.7	Very low	55 Å²	55	115.7 Å²	115.7	39%	0.385	64%	0.643	S	S	.	*	H	α-helix	trans	-68.7	-46.2	-176.8	88.7	0	0	0	0	111.7	V54 M55 E56	S52-V54 PolarHBondContact O-N 2.87Å; S52-M55 PolarHBondContact O-N 3.4Å; S52-E56 VanDerWaalsContact O-CB 3.22Å; S52-E56 WeakPolarHBondContact O-CB 3.48Å; S52-E56 VanDerWaalsContact O-CD 3.31Å; S52-E56 WeakPolarHBondContact O-CG 3.32Å; S52-E56 PolarHBondContact O-N 2.96Å; S52-E56 PolarHBondContact OG-OE2 3.39Å; S52-E56 VanDerWaalsContact OG-OE2 3.12Å
53	S	51.4	Low	50.8	Low	78 Å²	78	112.8 Å²	112.8	55%	0.545	62%	0.615	S	S	.	*	H	α-helix	trans	-63.1	-38.5	-171.6	164.7	0	0	0	0	113.6	E56 S57	S53-E56 WeakPolarHBondContact CA-OE2 3.44Å; S53-E56 PolarHBondContact N-OE2 3.29Å; S53-S57 PolarHBondContact O-N 2.9Å
54	V	53.3	Low	53.6	Low	62 Å²	62	110.3 Å²	110.3	38%	0.376	58%	0.583	S	S	.	*	H	α-helix	trans	-72.7	-53.2	177.8	179.4	0	0	0	0	109.2	S52 E56 S57 W58 E200	S52-V54 PolarHBondContact O-N 2.87Å; V54-E56 PolarHBondContact O-N 2.86Å; V54-E56 VanDerWaalsContact O-N 3.14Å; V54-S57 WeakPolarHBondContact O-CA 3.3Å; V54-S57 VanDerWaalsContact O-CB 3.26Å; V54-S57 WeakPolarHBondContact O-CB 3.49Å; V54-S57 PolarHBondContact O-N 3.35Å; V54-W58 PolarHBondContact O-N 3.24Å; V54-E200 HydrophobicContact CG1-CG 4.47Å
55	M	56.1	Low	56.2	Low	95 Å²	95	103.7 Å²	103.7	47%	0.468	56%	0.557	S	S	.	*	H	α-helix	trans	-55.5	-31.9	175.9	-78	-174.9	156.2	0	0	113.2	T51 S52 W58 K59 I119	T51-M55 PolarHBondContact O-N 3.24Å; S52-M55 PolarHBondContact O-N 3.4Å; M55-W58 PolarHBondContact O-N 3.16Å; M55-K59 WeakPolarHBondContact O-CG 3.4Å; M55-K59 PolarHBondContact O-N 3.44Å; M55-I119 HydrophobicContact CE-CD1 3.85Å
56	E	53.5	Low	58.6	Low	94 Å²	94	103.1 Å²	103.1	44%	0.439	55%	0.546	S	S	.	.	H	α-helix	trans	-65.8	-41.9	172.8	-79.4	159.6	167	0	0	111.8	S52 S53 V54 W58 K59 E60	S52-E56 VanDerWaalsContact O-CB 3.22Å; S52-E56 WeakPolarHBondContact O-CB 3.48Å; S52-E56 VanDerWaalsContact O-CD 3.31Å; S52-E56 WeakPolarHBondContact O-CG 3.32Å; S52-E56 PolarHBondContact O-N 2.96Å; S52-E56 PolarHBondContact OG-OE2 3.39Å; S52-E56 VanDerWaalsContact OG-OE2 3.12Å; S53-E56 WeakPolarHBondContact CA-OE2 3.44Å; S53-E56 PolarHBondContact N-OE2 3.29Å; V54-E56 PolarHBondContact O-N 2.86Å; V54-E56 VanDerWaalsContact O-N 3.14Å; E56-W58 VanDerWaalsContact C-N 3.27Å; E56-W58 PolarHBondContact O-N 2.98Å; E56-K59 WeakPolarHBondContact O-CB 3.49Å; E56-K59 PolarHBondContact O-N 3.29Å; E56-E60 PolarHBondContact O-N 3.49Å
57	S	53.5	Low	61.4	Low	80 Å²	80	105.8 Å²	105.8	56%	0.559	54%	0.538	S	S	*	.	H	α-helix	trans	-58.8	-35.8	173.6	-174.4	0	0	0	0	113	S53 V54 K59	S53-S57 PolarHBondContact O-N 2.9Å; V54-S57 WeakPolarHBondContact O-CA 3.3Å; V54-S57 VanDerWaalsContact O-CB 3.26Å; V54-S57 WeakPolarHBondContact O-CB 3.49Å; V54-S57 PolarHBondContact O-N 3.35Å; S57-K59 VanDerWaalsContact C-N 3.29Å; S57-K59 PolarHBondContact O-N 3.22Å
58	W	59.9	Low	63.7	Low	58 Å²	58	102.5 Å²	102.5	22%	0.22	51%	0.513	C	S	.	.	H	α-helix	trans	-72.5	-22.1	175.9	-68	88.6	0	0	0	113	V54 M55 E56 I118 Y180 E200	V54-W58 PolarHBondContact O-N 3.24Å; M55-W58 PolarHBondContact O-N 3.16Å; E56-W58 VanDerWaalsContact C-N 3.27Å; E56-W58 PolarHBondContact O-N 2.98Å; W58-I118 HydrophobicContact CD2-CB 4.5Å; W58-I118 HydrophobicContact CE3-CB 3.72Å; W58-I118 HydrophobicContact CE3-CD1 4.37Å; W58-I118 HydrophobicContact CE3-CG1 4.3Å; W58-I118 HydrophobicContact CH2-CB 3.88Å; W58-I118 HydrophobicContact CH2-CD1 3.06Å; W58-I118 HydrophobicContact CH2-CG1 3.85Å; W58-I118 HydrophobicContact CH2-CG2 4.43Å; W58-I118 HydrophobicContact CZ2-CD1 4.13Å; W58-I118 HydrophobicContact CZ3-CB 3.39Å; W58-I118 HydrophobicContact CZ3-CD1 3.21Å; W58-I118 HydrophobicContact CZ3-CG1 3.48Å; W58-I118 VanDerWaalsContact CZ3-CG1 3.48Å; W58-I118 HydrophobicContact CZ3-CG2 4.35Å; W58-Y180 WeakPolarHBondContact CH2-OH 3.35Å; W58-E200 VanDerWaalsContact CE2-OE2 3.29Å; W58-E200 WeakPolarHBondContact CZ2-OE2 3.48Å; W58-E200 PolarHBondContact NE1-OE2 3.33Å
59	K	55.2	Low	66.1	Low	132 Å²	132	94.9 Å²	94.9	57%	0.574	48%	0.478	S	S	*	.	H	α-helix	trans	-80.8	-35.9	-179.2	-76.1	174.9	179.9	179.4	0	112.1	M55 E56 S57 K117	M55-K59 WeakPolarHBondContact O-CG 3.4Å; M55-K59 PolarHBondContact O-N 3.44Å; E56-K59 WeakPolarHBondContact O-CB 3.49Å; E56-K59 PolarHBondContact O-N 3.29Å; S57-K59 VanDerWaalsContact C-N 3.29Å; S57-K59 PolarHBondContact O-N 3.22Å; K59-K117 PolarHBondContact O-NZ 3.23Å
60	E	56.4	Low	68.9	Low	171 Å²	171	90.8 Å²	90.8	80%	0.799	47%	0.469	S	S	*	.	H	α-helix	trans	-82.3	-19.2	-169.7	-69.7	-176.4	169.3	0	0	115.3	E56 R62	E56-E60 PolarHBondContact O-N 3.49Å; E60-R62 PolarHBondContact O-N 2.98Å
61	E	62.2	Low	71.5	Confident	146 Å²	146	92.9 Å²	92.9	68%	0.682	47%	0.466	S	S	*	.	S	Bend	trans	-72.7	121.9	-179.9	-159.9	172.1	-161.5	0	0	111.1	T63 K117	E61-T63 PolarHBondContact O-N 3.17Å; E61-T63 VanDerWaalsContact O-N 3.13Å; E61-K117 WeakPolarHBondContact O-CE 3.46Å; E61-K117 PolarHBondContact O-NZ 3.19Å
62	R	73.3	Confident	73.9	Confident	199 Å²	199	91.3 Å²	91.3	75%	0.751	46%	0.459	S	S	*	.			trans	-67.7	108.8	172.3	-179.8	-173.5	171.4	-147.9	-5.3	108.3	E60 D68	E60-R62 PolarHBondContact O-N 2.98Å; R62-D68 IonicContact CZ-OD2 3.65Å; R62-D68 VanDerWaalsContact NH2-CG 3.3Å; R62-D68 IonicContact NH2-OD1 3.32Å; R62-D68 PolarHBondContact NH2-OD1 3.08Å; R62-D68 IonicContact NH2-OD2 2.67Å; R62-D68 PolarHBondContact NH2-OD2 2.93Å
63	T	83.6	Confident	76.2	Confident	40 Å²	40	90.5 Å²	90.5	25%	0.245	45%	0.45	C	S	.	.	P	Polyproline II helix	trans	-82.6	158.2	170.2	50.1	0	0	0	0	110.8	E61 S65 Y114 K117	E61-T63 PolarHBondContact O-N 3.17Å; E61-T63 VanDerWaalsContact O-N 3.13Å; T63-S65 PolarHBondContact O-N 2.85Å; T63-Y114 WeakPolarHBondContact CB-O 3.4Å; T63-K117 HydrophobicContact CG2-CD 4.47Å; T63-K117 HydrophobicContact CG2-CG 3.78Å
64	R	90.3	Very high	78.4	Confident	50 Å²	50	90 Å²	90	19%	0.189	45%	0.445	C	S	.	.	P	Polyproline II helix	trans	-57.2	134.3	171.8	178.8	178.6	175.4	-159.5	-10.3	109.3	D68 N69 T111 Y114 Q115	R64-D68 HydrophobicContact CG-CB 4.26Å; R64-N69 PolarHBondContact NE-OD1 2.84Å; R64-N69 PolarHBondContact NH2-OD1 3.1Å; R64-T111 PolarHBondContact NH1-O 2.88Å; R64-T111 PolarHBondContact NH1-OG1 2.87Å; R64-Y114 PolarHBondContact N-O 3.47Å; R64-Q115 HydrophobicContact CB-CB 4.29Å; R64-Q115 VanDerWaalsContact O-CA 3.3Å; R64-Q115 WeakPolarHBondContact O-CA 3.44Å; R64-Q115 WeakPolarHBondContact O-CB 3.44Å
65	S	92.1	Very high	80.6	Confident	43 Å²	43	91.1 Å²	91.1	30%	0.301	46%	0.455	S	S	.	.	P	Polyproline II helix	trans	-101	171.5	-179.5	78.1	0	0	0	0	113.1	T63 E67 D68 N69	T63-S65 PolarHBondContact O-N 2.85Å; S65-E67 VanDerWaalsContact C-N 3.31Å; S65-E67 PolarHBondContact OG-N 3.23Å; S65-D68 PolarHBondContact N-OD2 3.41Å; S65-D68 PolarHBondContact O-N 3.26Å; S65-D68 VanDerWaalsContact OG-CG 3.31Å; S65-D68 PolarHBondContact OG-N 3.35Å; S65-D68 PolarHBondContact OG-OD2 3.11Å; S65-N69 VanDerWaalsContact O-CG 3.27Å; S65-N69 PolarHBondContact O-N 3.12Å; S65-N69 PolarHBondContact O-OD1 3.44Å
66	L	90.5	Very high	82.6	Confident	125 Å²	125	89.1 Å²	89.1	65%	0.654	45%	0.446	S	S	*	.	H	α-helix	trans	-64.8	-37.1	169.5	-67.4	179.1	0	0	0	111.7	D68 N69 E70	L66-D68 VanDerWaalsContact C-N 3.35Å; L66-N69 WeakPolarHBondContact O-CA 3.49Å; L66-N69 VanDerWaalsContact O-CB 3.27Å; L66-N69 WeakPolarHBondContact O-CB 3.34Å; L66-N69 PolarHBondContact O-N 3.43Å; L66-N69 VanDerWaalsContact O-N 3.07Å; L66-E70 PolarHBondContact O-N 3.08Å
67	E	94.1	Very high	84.8	Confident	132 Å²	132	84.8 Å²	84.8	62%	0.617	43%	0.427	S	S	*	.	H	α-helix	trans	-63.1	-41.8	175.2	-168.2	-177.8	-178.8	0	0	111.1	S65 N69 E70 M71	S65-E67 VanDerWaalsContact C-N 3.31Å; S65-E67 PolarHBondContact OG-N 3.23Å; E67-N69 PolarHBondContact O-N 3.19Å; E67-E70 PolarHBondContact O-N 2.64Å; E67-M71 HydrophobicContact CG-CE 4.13Å; E67-M71 WeakPolarHBondContact O-CB 3.48Å; E67-M71 WeakPolarHBondContact O-CG 3.34Å; E67-M71 PolarHBondContact O-N 2.68Å
68	D	94.3	Very high	86.9	Confident	34 Å²	34	83.6 Å²	83.6	18%	0.182	42%	0.422	C	S	.	.	H	α-helix	trans	-59.4	-34.6	173.1	-66.9	-39.1	0	0	0	111.3	R62 R64 S65 L66 S72	R62-D68 IonicContact CZ-OD2 3.65Å; R62-D68 VanDerWaalsContact NH2-CG 3.3Å; R62-D68 IonicContact NH2-OD1 3.32Å; R62-D68 PolarHBondContact NH2-OD1 3.08Å; R62-D68 IonicContact NH2-OD2 2.67Å; R62-D68 PolarHBondContact NH2-OD2 2.93Å; R64-D68 HydrophobicContact CG-CB 4.26Å; S65-D68 PolarHBondContact N-OD2 3.41Å; S65-D68 PolarHBondContact O-N 3.26Å; S65-D68 VanDerWaalsContact OG-CG 3.31Å; S65-D68 PolarHBondContact OG-N 3.35Å; S65-D68 PolarHBondContact OG-OD2 3.11Å; L66-D68 VanDerWaalsContact C-N 3.35Å; D68-S72 VanDerWaalsContact O-CB 3.26Å; D68-S72 WeakPolarHBondContact O-CB 3.45Å; D68-S72 PolarHBondContact O-N 3.04Å; D68-S72 PolarHBondContact O-OG 3.37Å
69	N	94.7	Very high	88.8	Confident	20 Å²	20	83.2 Å²	83.2	11%	0.107	43%	0.43	C	S	.	.	H	α-helix	trans	-67.6	-47.1	176.7	-63	-18.5	0	0	0	111.8	R64 S65 L66 E67 S72 L73 Q108 Q115	R64-N69 PolarHBondContact NE-OD1 2.84Å; R64-N69 PolarHBondContact NH2-OD1 3.1Å; S65-N69 VanDerWaalsContact O-CG 3.27Å; S65-N69 PolarHBondContact O-N 3.12Å; S65-N69 PolarHBondContact O-OD1 3.44Å; L66-N69 WeakPolarHBondContact O-CA 3.49Å; L66-N69 VanDerWaalsContact O-CB 3.27Å; L66-N69 WeakPolarHBondContact O-CB 3.34Å; L66-N69 PolarHBondContact O-N 3.43Å; L66-N69 VanDerWaalsContact O-N 3.07Å; E67-N69 PolarHBondContact O-N 3.19Å; N69-S72 PolarHBondContact O-N 3.31Å; N69-S72 PolarHBondContact O-OG 3.36Å; N69-L73 WeakPolarHBondContact O-CB 3.47Å; N69-L73 PolarHBondContact O-N 2.94Å; N69-Q108 PolarHBondContact O-NE2 2.82Å; N69-Q115 PolarHBondContact ND2-OE1 2.89Å
70	E	95.6	Very high	90.8	Very high	145 Å²	145	79.4 Å²	79.4	68%	0.678	41%	0.413	S	S	*	.	H	α-helix	trans	-63.5	-44.6	179.7	-69.9	178.2	-175.9	0	0	111.2	L66 E67 S72 P74	L66-E70 PolarHBondContact O-N 3.08Å; E67-E70 PolarHBondContact O-N 2.64Å; E70-S72 PolarHBondContact O-N 2.74Å; E70-P74 WeakPolarHBondContact O-CD 3.47Å
71	M	95.6	Very high	92.9	Very high	121 Å²	121	72.7 Å²	72.7	60%	0.596	38%	0.383	S	S	*	.	H	α-helix	trans	-66.1	-36.8	178.6	-69.7	-168.5	-65.7	0	0	113.1	E67	E67-M71 HydrophobicContact CG-CE 4.13Å; E67-M71 WeakPolarHBondContact O-CB 3.48Å; E67-M71 WeakPolarHBondContact O-CG 3.34Å; E67-M71 PolarHBondContact O-N 2.68Å
72	S	96.3	Very high	94.6	Very high	38 Å²	38	70 Å²	70	27%	0.266	38%	0.378	S	S	.	.	H	α-helix	trans	-83	-21.6	-177.6	60.1	0	0	0	0	114.2	D68 N69 E70 S75 L76 Q108	D68-S72 VanDerWaalsContact O-CB 3.26Å; D68-S72 WeakPolarHBondContact O-CB 3.45Å; D68-S72 PolarHBondContact O-N 3.04Å; D68-S72 PolarHBondContact O-OG 3.37Å; N69-S72 PolarHBondContact O-N 3.31Å; N69-S72 PolarHBondContact O-OG 3.36Å; E70-S72 PolarHBondContact O-N 2.74Å; S72-S75 PolarHBondContact O-N 3.37Å; S72-L76 PolarHBondContact O-N 3.35Å; S72-Q108 PolarHBondContact OG-NE2 3.04Å; S72-Q108 VanDerWaalsContact OG-NE2 3.14Å
73	L	98.1	Very high	95.8	Very high	37 Å²	37	64.9 Å²	64.9	19%	0.194	36%	0.364	C	S	.	.	H	α-helix	trans	-58.1	-45.2	-173.4	-175.6	70.5	0	0	0	113.7	N69 S75 L76 A77 W101 A104	N69-L73 WeakPolarHBondContact O-CB 3.47Å; N69-L73 PolarHBondContact O-N 2.94Å; L73-S75 VanDerWaalsContact C-N 3.33Å; L73-S75 PolarHBondContact O-N 3.17Å; L73-L76 PolarHBondContact O-N 2.97Å; L73-A77 WeakPolarHBondContact O-CB 3.46Å; L73-A77 PolarHBondContact O-N 2.8Å; L73-W101 HydrophobicContact CD2-CE3 4.03Å; L73-W101 HydrophobicContact CD2-CZ3 3.97Å; L73-W101 HydrophobicContact CG-CE3 3.92Å; L73-W101 HydrophobicContact CG-CZ3 3.82Å; L73-A104 HydrophobicContact CD1-CB 3.65Å
74	P	98.5	Very high	96.5	Very high	68 Å²	68	64 Å²	64	44%	0.442	36%	0.358	S	S	.	.	H	α-helix	trans	-62	-39.2	177.1	-23	34.5	0	0	0	112.9	E70 A77 A78 W101	E70-P74 WeakPolarHBondContact O-CD 3.47Å; P74-A77 PolarHBondContact O-N 2.96Å; P74-A78 WeakPolarHBondContact O-CB 3.37Å; P74-A78 PolarHBondContact O-N 2.92Å; P74-W101 HydrophobicContact CB-CH2 4.12Å; P74-W101 HydrophobicContact CG-CH2 4.23Å; P74-W101 HydrophobicContact CG-CZ3 4.45Å
75	S	98.6	Very high	96.9	Very high	85 Å²	85	69 Å²	69	59%	0.594	38%	0.376	S	S	*	.	H	α-helix	trans	-65.9	-44.5	177.8	-179.8	0	0	0	0	111.5	S72 L73 A77 A78 A79	S72-S75 PolarHBondContact O-N 3.37Å; L73-S75 VanDerWaalsContact C-N 3.33Å; L73-S75 PolarHBondContact O-N 3.17Å; S75-A77 PolarHBondContact O-N 3.37Å; S75-A78 WeakPolarHBondContact O-CB 3.4Å; S75-A78 PolarHBondContact O-N 2.95Å; S75-A79 PolarHBondContact O-N 2.96Å
76	L	98.6	Very high	97.3	Very high	54 Å²	54	70.2 Å²	70.2	28%	0.283	40%	0.396	S	S	.	.	H	α-helix	trans	-61.5	-43	174.3	-72	172.1	0	0	0	111.8	S72 L73 A78 A79 Y80 A104 Q108	S72-L76 PolarHBondContact O-N 3.35Å; L73-L76 PolarHBondContact O-N 2.97Å; L76-A78 VanDerWaalsContact C-N 3.33Å; L76-A78 PolarHBondContact O-N 2.94Å; L76-A79 WeakPolarHBondContact O-CB 2.91Å; L76-A79 PolarHBondContact O-N 3.07Å; L76-Y80 VanDerWaalsContact O-CD2 3.24Å; L76-Y80 WeakPolarHBondContact O-CD2 3.34Å; L76-Y80 PolarHBondContact O-N 2.85Å; L76-A104 HydrophobicContact CB-CB 3.67Å; L76-Q108 HydrophobicContact CD1-CG 3.76Å
77	A	98.8	Very high	97.7	Very high	3 Å²	3	70.4 Å²	70.4	3%	0.025	40%	0.397	C	S	.	.	H	α-helix	trans	-62.8	-40	175.7	0	0	0	0	0	111.6	L73 P74 S75 A79 Y80 T81 P100 W101 A104	L73-A77 WeakPolarHBondContact O-CB 3.46Å; L73-A77 PolarHBondContact O-N 2.8Å; P74-A77 PolarHBondContact O-N 2.96Å; S75-A77 PolarHBondContact O-N 3.37Å; A77-A79 VanDerWaalsContact C-N 3.34Å; A77-A79 PolarHBondContact O-N 2.71Å; A77-Y80 PolarHBondContact O-N 2.89Å; A77-T81 PolarHBondContact O-N 2.9Å; A77-T81 PolarHBondContact O-OG1 2.86Å; A77-P100 HydrophobicContact CB-CB 4.24Å; A77-P100 VanDerWaalsContact O-CB 3.29Å; A77-P100 WeakPolarHBondContact O-CB 3.22Å; A77-W101 HydrophobicContact CB-CD2 3.81Å; A77-W101 HydrophobicContact CB-CE3 3.91Å; A77-W101 HydrophobicContact CB-CG 4.29Å; A77-W101 HydrophobicContact CB-CH2 4.44Å; A77-W101 HydrophobicContact CB-CZ2 4.34Å; A77-W101 HydrophobicContact CB-CZ3 4.23Å; A77-A104 HydrophobicContact CB-CB 4.31Å
78	A	98.8	Very high	97.9	Very high	55 Å²	55	67.6 Å²	67.6	46%	0.455	40%	0.403	S	S	.	.	H	α-helix	trans	-62.4	-41.1	174	0	0	0	0	0	112.1	P74 S75 L76 T81 T82	P74-A78 WeakPolarHBondContact O-CB 3.37Å; P74-A78 PolarHBondContact O-N 2.92Å; S75-A78 WeakPolarHBondContact O-CB 3.4Å; S75-A78 PolarHBondContact O-N 2.95Å; L76-A78 VanDerWaalsContact C-N 3.33Å; L76-A78 PolarHBondContact O-N 2.94Å; A78-T81 WeakPolarHBondContact O-CB 3.27Å; A78-T81 PolarHBondContact O-N 2.81Å; A78-T82 PolarHBondContact O-N 3Å; A78-T82 PolarHBondContact O-OG1 2.88Å
79	A	98.8	Very high	98.1	Very high	49 Å²	49	69.8 Å²	69.8	41%	0.405	41%	0.413	S	S	.	.	H	α-helix	trans	-61.8	-46	174.8	0	0	0	0	0	111.8	S75 L76 A77 T81 T82 I83	S75-A79 PolarHBondContact O-N 2.96Å; L76-A79 WeakPolarHBondContact O-CB 2.91Å; L76-A79 PolarHBondContact O-N 3.07Å; A77-A79 VanDerWaalsContact C-N 3.34Å; A77-A79 PolarHBondContact O-N 2.71Å; A79-T81 VanDerWaalsContact C-N 3.33Å; A79-T81 PolarHBondContact O-N 3Å; A79-T82 WeakPolarHBondContact O-CA 3.01Å; A79-T82 WeakPolarHBondContact O-CB 3.47Å; A79-T82 PolarHBondContact O-N 2.83Å; A79-T82 VanDerWaalsContact O-N 3.08Å; A79-I83 WeakPolarHBondContact O-CG1 3.14Å; A79-I83 PolarHBondContact O-N 2.82Å
80	Y	98.8	Very high	98.2	Very high	52 Å²	52	73.1 Å²	73.1	20%	0.204	43%	0.43	C	S	.	.	H	α-helix	trans	-63.6	-36.2	175.5	-81.5	-65.5	0	0	0	113.1	L76 A77 T82 I83 L84 A103 A104 M107	L76-Y80 VanDerWaalsContact O-CD2 3.24Å; L76-Y80 WeakPolarHBondContact O-CD2 3.34Å; L76-Y80 PolarHBondContact O-N 2.85Å; A77-Y80 PolarHBondContact O-N 2.89Å; Y80-T82 VanDerWaalsContact C-N 3.27Å; Y80-T82 PolarHBondContact O-N 2.88Å; Y80-I83 HydrophobicContact CD1-CD1 4.04Å; Y80-I83 HydrophobicContact CE1-CD1 4.33Å; Y80-I83 PolarHBondContact O-N 2.78Å; Y80-L84 WeakPolarHBondContact O-CG 3.19Å; Y80-L84 PolarHBondContact O-N 2.98Å; Y80-A103 HydrophobicContact CD1-CB 3.71Å; Y80-A103 HydrophobicContact CD2-CB 3.77Å; Y80-A103 HydrophobicContact CE1-CB 3.85Å; Y80-A103 VanDerWaalsContact CE2-C 3.47Å; Y80-A103 HydrophobicContact CE2-CB 3.92Å; Y80-A103 HydrophobicContact CG-CB 3.67Å; Y80-A104 HydrophobicContact CD2-CB 4.07Å; Y80-A104 HydrophobicContact CE2-CB 4.32Å; Y80-M107 HydrophobicContact CE2-CB 4.39Å; Y80-M107 WeakPolarHBondContact OH-CB 3.38Å; Y80-M107 VanDerWaalsContact OH-CE 3.31Å; Y80-M107 WeakPolarHBondContact OH-CE 3.32Å
81	T	98.8	Very high	98.4	Very high	30 Å²	30	66.9 Å²	66.9	18%	0.184	40%	0.402	C	S	.	.	H	α-helix	trans	-60.6	-40.9	172.4	-55.7	0	0	0	0	111.1	A77 A78 A79 L84 R85 P91 P100	A77-T81 PolarHBondContact O-N 2.9Å; A77-T81 PolarHBondContact O-OG1 2.86Å; A78-T81 WeakPolarHBondContact O-CB 3.27Å; A78-T81 PolarHBondContact O-N 2.81Å; A79-T81 VanDerWaalsContact C-N 3.33Å; A79-T81 PolarHBondContact O-N 3Å; T81-L84 PolarHBondContact O-N 3.27Å; T81-R85 PolarHBondContact O-N 3.33Å; T81-R85 VanDerWaalsContact O-N 3.16Å; T81-P91 HydrophobicContact CG2-CB 4.45Å; T81-P91 HydrophobicContact CG2-CG 4.44Å; T81-P100 VanDerWaalsContact OG1-CB 3.29Å; T81-P100 WeakPolarHBondContact OG1-CB 3.35Å; T81-P100 WeakPolarHBondContact OG1-CG 3.42Å
82	T	98.8	Very high	98.5	Very high	91 Å²	91	67.4 Å²	67.4	56%	0.558	40%	0.403	S	S	*	.	H	α-helix	trans	-65.4	-41.4	177.2	-56.1	0	0	0	0	111.3	A78 A79 Y80 R85 G86	A78-T82 PolarHBondContact O-N 3Å; A78-T82 PolarHBondContact O-OG1 2.88Å; A79-T82 WeakPolarHBondContact O-CA 3.01Å; A79-T82 WeakPolarHBondContact O-CB 3.47Å; A79-T82 PolarHBondContact O-N 2.83Å; A79-T82 VanDerWaalsContact O-N 3.08Å; Y80-T82 VanDerWaalsContact C-N 3.27Å; Y80-T82 PolarHBondContact O-N 2.88Å; T82-R85 PolarHBondContact O-N 2.86Å; T82-G86 PolarHBondContact O-N 2.9Å
83	I	98.8	Very high	98.6	Very high	91 Å²	91	70.8 Å²	70.8	47%	0.467	41%	0.41	S	S	.	.	H	α-helix	trans	-59.1	-48.1	173.9	-68.7	167.3	0	0	0	110.8	A79 Y80 R85 G86 L87	A79-I83 WeakPolarHBondContact O-CG1 3.14Å; A79-I83 PolarHBondContact O-N 2.82Å; Y80-I83 HydrophobicContact CD1-CD1 4.04Å; Y80-I83 HydrophobicContact CE1-CD1 4.33Å; Y80-I83 PolarHBondContact O-N 2.78Å; I83-R85 VanDerWaalsContact C-N 3.34Å; I83-R85 PolarHBondContact O-N 3.33Å; I83-G86 CarbonylContact O-C 3.58Å; I83-G86 WeakPolarHBondContact O-CA 3.39Å; I83-G86 PolarHBondContact O-N 3.03Å; I83-G86 VanDerWaalsContact O-N 3.09Å; I83-L87 HydrophobicContact CG2-CD1 3.95Å; I83-L87 HydrophobicContact CG2-CG 4.37Å; I83-L87 WeakPolarHBondContact O-CG 3.32Å; I83-L87 PolarHBondContact O-N 2.85Å
84	L	98.8	Very high	98.6	Very high	21 Å²	21	77.2 Å²	77.2	11%	0.11	44%	0.44	C	S	.	.	H	α-helix	trans	-56.7	-47.4	179.3	-68.7	173.5	0	0	0	111.7	Y80 T81 G86 L87 G88 E89 P91 L96 T99 P100	Y80-L84 WeakPolarHBondContact O-CG 3.19Å; Y80-L84 PolarHBondContact O-N 2.98Å; T81-L84 PolarHBondContact O-N 3.27Å; L84-G86 VanDerWaalsContact C-N 3.34Å; L84-G86 PolarHBondContact O-N 3.41Å; L84-L87 PolarHBondContact O-N 2.87Å; L84-G88 PolarHBondContact O-N 3Å; L84-E89 WeakPolarHBondContact O-CB 3.45Å; L84-E89 PolarHBondContact O-N 2.73Å; L84-E89 VanDerWaalsContact O-N 3.12Å; L84-P91 HydrophobicContact CB-CG 4.41Å; L84-L96 HydrophobicContact CD1-CB 4.42Å; L84-L96 HydrophobicContact CD1-CD1 4.31Å; L84-L96 HydrophobicContact CD1-CD2 4.4Å; L84-L96 HydrophobicContact CD2-CD1 4.17Å; L84-L96 HydrophobicContact CD2-CD2 4.15Å; L84-T99 HydrophobicContact CD1-CG2 4.14Å; L84-T99 HydrophobicContact CD2-CG2 4.42Å; L84-P100 HydrophobicContact CD1-CG 4.03Å
85	R	98.6	Very high	98.6	Very high	154 Å²	154	75.4 Å²	75.4	58%	0.581	43%	0.433	S	S	*	.	H	α-helix	trans	-62.2	-41.5	175.5	-68.8	-179.7	-179.4	139.8	-1.3	112.1	T81 T82 I83 L87 G88 P91	T81-R85 PolarHBondContact O-N 3.33Å; T81-R85 VanDerWaalsContact O-N 3.16Å; T82-R85 PolarHBondContact O-N 2.86Å; I83-R85 VanDerWaalsContact C-N 3.34Å; I83-R85 PolarHBondContact O-N 3.33Å; R85-L87 PolarHBondContact O-N 2.98Å; R85-G88 PolarHBondContact O-N 3.07Å; R85-P91 HydrophobicContact CG-CG 3.63Å
86	G	98.7	Very high	98.6	Very high	70 Å²	70	71.9 Å²	71.9	72%	0.722	41%	0.408	S	S	*	.	H	α-helix	trans	-63.4	-24.7	177.3	0	0	0	0	0	113.8	T82 I83 L84 G88	T82-G86 PolarHBondContact O-N 2.9Å; I83-G86 CarbonylContact O-C 3.58Å; I83-G86 WeakPolarHBondContact O-CA 3.39Å; I83-G86 PolarHBondContact O-N 3.03Å; I83-G86 VanDerWaalsContact O-N 3.09Å; L84-G86 VanDerWaalsContact C-N 3.34Å; L84-G86 PolarHBondContact O-N 3.41Å; G86-G88 VanDerWaalsContact C-N 3.3Å
87	L	98.7	Very high	98.6	Very high	128 Å²	128	73.7 Å²	73.7	67%	0.67	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-1.3	172.7	-65.1	172	0	0	0	113.3	I83 L84 R85	I83-L87 HydrophobicContact CG2-CD1 3.95Å; I83-L87 HydrophobicContact CG2-CG 4.37Å; I83-L87 WeakPolarHBondContact O-CG 3.32Å; I83-L87 PolarHBondContact O-N 2.85Å; L84-L87 PolarHBondContact O-N 2.87Å; R85-L87 PolarHBondContact O-N 2.98Å
88	G	98.6	Very high	98.6	Very high	73 Å²	73	81 Å²	81	75%	0.753	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	81	10.9	-177.6	0	0	0	0	0	114.8	L84 R85 G86	L84-G88 PolarHBondContact O-N 3Å; R85-G88 PolarHBondContact O-N 3.07Å; G86-G88 VanDerWaalsContact C-N 3.3Å
89	E	98.6	Very high	98.6	Very high	81 Å²	81	79.9 Å²	79.9	38%	0.379	44%	0.436	S	S	.	.			trans	-81.9	151.2	177	-75.5	-80.2	151	0	0	111.8	L84 P91 R93 L96	L84-E89 WeakPolarHBondContact O-CB 3.45Å; L84-E89 PolarHBondContact O-N 2.73Å; L84-E89 VanDerWaalsContact O-N 3.12Å; E89-P91 VanDerWaalsContact O-CD 3.28Å; E89-P91 WeakPolarHBondContact O-CD 3.35Å; E89-R93 IonicContact OE2-CZ 3.31Å; E89-R93 VanDerWaalsContact OE2-CZ 3.25Å; E89-R93 IonicContact OE2-NE 3.73Å; E89-R93 PolarHBondContact OE2-NE 2.91Å; E89-R93 IonicContact OE2-NH2 2.88Å; E89-R93 PolarHBondContact OE2-NH2 3.28Å; E89-L96 HydrophobicContact CB-CD1 3.81Å; E89-L96 HydrophobicContact CG-CD1 4.24Å; E89-L96 VanDerWaalsContact OE2-CD1 3.31Å; E89-L96 WeakPolarHBondContact OE2-CD1 3.39Å
90	D	98.4	Very high	98.6	Very high	89 Å²	89	77.9 Å²	77.9	48%	0.476	42%	0.419	S	S	.	.			trans	-86.4	109.5	168.3	173.8	19.2	0	0	0	110.5	Q92 R93	D90-Q92 PolarHBondContact O-N 3.23Å; D90-Q92 VanDerWaalsContact O-N 3.13Å; D90-Q92 VanDerWaalsContact OD1-CB 3.31Å; D90-Q92 WeakPolarHBondContact OD1-CB 3.43Å; D90-Q92 PolarHBondContact OD1-N 3.13Å; D90-R93 WeakPolarHBondContact O-CG 3.43Å; D90-R93 PolarHBondContact O-N 3.46Å
91	P	98.2	Very high	98.6	Very high	14 Å²	14	81.6 Å²	81.6	9%	0.091	43%	0.432	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-14.3	178.2	-18.9	33.9	0	0	0	113.9	T81 L84 R85 E89	T81-P91 HydrophobicContact CG2-CB 4.45Å; T81-P91 HydrophobicContact CG2-CG 4.44Å; L84-P91 HydrophobicContact CB-CG 4.41Å; R85-P91 HydrophobicContact CG-CG 3.63Å; E89-P91 VanDerWaalsContact O-CD 3.28Å; E89-P91 WeakPolarHBondContact O-CD 3.35Å
92	Q	98.3	Very high	98.6	Very high	132 Å²	132	87 Å²	87	62%	0.617	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-11.9	178.6	-58.3	-55	-56.6	0	0	113.3	D90 L97	D90-Q92 PolarHBondContact O-N 3.23Å; D90-Q92 VanDerWaalsContact O-N 3.13Å; D90-Q92 VanDerWaalsContact OD1-CB 3.31Å; D90-Q92 WeakPolarHBondContact OD1-CB 3.43Å; D90-Q92 PolarHBondContact OD1-N 3.13Å; Q92-L97 WeakPolarHBondContact O-CD2 3.16Å
93	R	98.3	Very high	98.6	Very high	109 Å²	109	83.9 Å²	83.9	41%	0.411	43%	0.433	S	S	.	.	S	Bend	trans	-62.8	144.6	176.7	79.3	-179.5	174.5	80.3	-5.6	111	E89 D90 G95 L96 L97	E89-R93 IonicContact OE2-CZ 3.31Å; E89-R93 VanDerWaalsContact OE2-CZ 3.25Å; E89-R93 IonicContact OE2-NE 3.73Å; E89-R93 PolarHBondContact OE2-NE 2.91Å; E89-R93 IonicContact OE2-NH2 2.88Å; E89-R93 PolarHBondContact OE2-NH2 3.28Å; D90-R93 WeakPolarHBondContact O-CG 3.43Å; D90-R93 PolarHBondContact O-N 3.46Å; R93-G95 PolarHBondContact O-N 3.47Å; R93-L96 HydrophobicContact CG-CB 4Å; R93-L96 HydrophobicContact CG-CD1 4.04Å; R93-L96 HydrophobicContact CG-CG 3.84Å; R93-L96 VanDerWaalsContact NE-CD1 3.25Å; R93-L96 PolarHBondContact O-N 3.27Å; R93-L97 PolarHBondContact O-N 3.17Å
94	Q	98.1	Very high	98.6	Very high	173 Å²	173	79.5 Å²	79.5	81%	0.808	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.6	-38.2	-172	-175.5	-88.4	-29.6	0	0	113.8	L96	Q94-L96 PolarHBondContact O-N 3.44Å
95	G	98.2	Very high	98.5	Very high	29 Å²	29	82 Å²	82	30%	0.299	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-21.6	178.2	0	0	0	0	0	116.1	R93 T99 R102	R93-G95 PolarHBondContact O-N 3.47Å; G95-T99 PolarHBondContact O-OG1 3.4Å; G95-R102 PolarHBondContact O-NH2 3.12Å
96	L	98.6	Very high	98.6	Very high	12 Å²	12	76.4 Å²	76.4	6%	0.063	41%	0.413	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105	-14.1	-175.4	-66.6	-176.3	0	0	0	115.2	L84 E89 R93 Q94 K98 T99 P100	L84-L96 HydrophobicContact CD1-CB 4.42Å; L84-L96 HydrophobicContact CD1-CD1 4.31Å; L84-L96 HydrophobicContact CD1-CD2 4.4Å; L84-L96 HydrophobicContact CD2-CD1 4.17Å; L84-L96 HydrophobicContact CD2-CD2 4.15Å; E89-L96 HydrophobicContact CB-CD1 3.81Å; E89-L96 HydrophobicContact CG-CD1 4.24Å; E89-L96 VanDerWaalsContact OE2-CD1 3.31Å; E89-L96 WeakPolarHBondContact OE2-CD1 3.39Å; R93-L96 HydrophobicContact CG-CB 4Å; R93-L96 HydrophobicContact CG-CD1 4.04Å; R93-L96 HydrophobicContact CG-CG 3.84Å; R93-L96 VanDerWaalsContact NE-CD1 3.25Å; R93-L96 PolarHBondContact O-N 3.27Å; Q94-L96 PolarHBondContact O-N 3.44Å; L96-K98 PolarHBondContact O-N 2.98Å; L96-T99 WeakPolarHBondContact CA-OG1 3.21Å; L96-T99 HydrophobicContact CD2-CG2 4.04Å; L96-T99 WeakPolarHBondContact CD2-OG1 3.46Å; L96-T99 WeakPolarHBondContact O-CB 3.49Å; L96-T99 PolarHBondContact O-N 3.04Å; L96-P100 WeakPolarHBondContact O-CD 3.4Å
97	L	98.4	Very high	98.6	Very high	91 Å²	91	74.7 Å²	74.7	48%	0.476	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.6	-41	-178.2	-72.5	172.1	0	0	0	113.5	Q92 R93	Q92-L97 WeakPolarHBondContact O-CD2 3.16Å; R93-L97 PolarHBondContact O-N 3.17Å
98	K	98.6	Very high	98.5	Very high	157 Å²	157	69.6 Å²	69.6	68%	0.683	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.9	-0.1	178.6	-63.6	-169.1	177.4	-175.5	0	114.1	L96 W101 R102	L96-K98 PolarHBondContact O-N 2.98Å; K98-W101 PolarHBondContact O-N 2.74Å; K98-R102 VanDerWaalsContact O-CG 3.32Å; K98-R102 WeakPolarHBondContact O-CG 3.45Å; K98-R102 PolarHBondContact O-N 3.08Å; K98-R102 PolarHBondContact O-NE 3.48Å
99	T	98.8	Very high	98.6	Very high	32 Å²	32	71 Å²	71	20%	0.196	35%	0.345	C	S	.	.	H	α-helix	trans	-60.1	-44.2	-178.6	-68.4	0	0	0	0	113.4	L84 G95 L96 W101 R102 A103	L84-T99 HydrophobicContact CD1-CG2 4.14Å; L84-T99 HydrophobicContact CD2-CG2 4.42Å; G95-T99 PolarHBondContact O-OG1 3.4Å; L96-T99 WeakPolarHBondContact CA-OG1 3.21Å; L96-T99 HydrophobicContact CD2-CG2 4.04Å; L96-T99 WeakPolarHBondContact CD2-OG1 3.46Å; L96-T99 WeakPolarHBondContact O-CB 3.49Å; L96-T99 PolarHBondContact O-N 3.04Å; T99-W101 VanDerWaalsContact C-N 3.3Å; T99-W101 PolarHBondContact O-N 2.71Å; T99-R102 PolarHBondContact O-N 2.93Å; T99-R102 PolarHBondContact OG1-NH2 3.31Å; T99-A103 VanDerWaalsContact O-CB 3.27Å; T99-A103 WeakPolarHBondContact O-CB 3.45Å; T99-A103 PolarHBondContact O-N 3.4Å
100	P	98.8	Very high	98.6	Very high	7 Å²	7	70.8 Å²	70.8	5%	0.045	34%	0.343	C	S	.	.	H	α-helix	trans	-56.8	-43.6	-179.3	-26.7	34	0	0	0	113.6	A77 T81 L84 L96 A104	A77-P100 HydrophobicContact CB-CB 4.24Å; A77-P100 VanDerWaalsContact O-CB 3.29Å; A77-P100 WeakPolarHBondContact O-CB 3.22Å; T81-P100 VanDerWaalsContact OG1-CB 3.29Å; T81-P100 WeakPolarHBondContact OG1-CB 3.35Å; T81-P100 WeakPolarHBondContact OG1-CG 3.42Å; L84-P100 HydrophobicContact CD1-CG 4.03Å; L96-P100 WeakPolarHBondContact O-CD 3.4Å; P100-A104 VanDerWaalsContact O-CB 3.28Å; P100-A104 WeakPolarHBondContact O-CB 3.3Å; P100-A104 PolarHBondContact O-N 3.14Å
101	W	98.8	Very high	98.6	Very high	129 Å²	129	67.2 Å²	67.2	49%	0.489	33%	0.325	S	S	.	.	H	α-helix	trans	-68.7	-46.4	176.4	-65.3	99.9	0	0	0	112.3	L73 P74 A77 K98 T99 A103 A104 T105	L73-W101 HydrophobicContact CD2-CE3 4.03Å; L73-W101 HydrophobicContact CD2-CZ3 3.97Å; L73-W101 HydrophobicContact CG-CE3 3.92Å; L73-W101 HydrophobicContact CG-CZ3 3.82Å; P74-W101 HydrophobicContact CB-CH2 4.12Å; P74-W101 HydrophobicContact CG-CH2 4.23Å; P74-W101 HydrophobicContact CG-CZ3 4.45Å; A77-W101 HydrophobicContact CB-CD2 3.81Å; A77-W101 HydrophobicContact CB-CE3 3.91Å; A77-W101 HydrophobicContact CB-CG 4.29Å; A77-W101 HydrophobicContact CB-CH2 4.44Å; A77-W101 HydrophobicContact CB-CZ2 4.34Å; A77-W101 HydrophobicContact CB-CZ3 4.23Å; K98-W101 PolarHBondContact O-N 2.74Å; T99-W101 VanDerWaalsContact C-N 3.3Å; T99-W101 PolarHBondContact O-N 2.71Å; W101-A103 VanDerWaalsContact C-N 3.32Å; W101-A103 PolarHBondContact O-N 3.35Å; W101-A104 PolarHBondContact O-N 3.3Å; W101-T105 PolarHBondContact O-N 2.97Å; W101-T105 PolarHBondContact O-OG1 3.48Å; W101-T105 VanDerWaalsContact O-OG1 3.07Å
102	R	98.8	Very high	98.5	Very high	144 Å²	144	67.9 Å²	67.9	54%	0.543	33%	0.326	S	S	.	.	H	α-helix	trans	-58.9	-43.2	177	-71	-179.1	-62.1	-170.7	2	112	G95 K98 T99 A106	G95-R102 PolarHBondContact O-NH2 3.12Å; K98-R102 VanDerWaalsContact O-CG 3.32Å; K98-R102 WeakPolarHBondContact O-CG 3.45Å; K98-R102 PolarHBondContact O-N 3.08Å; K98-R102 PolarHBondContact O-NE 3.48Å; T99-R102 PolarHBondContact O-N 2.93Å; T99-R102 PolarHBondContact OG1-NH2 3.31Å; R102-A106 VanDerWaalsContact O-CB 3.26Å; R102-A106 WeakPolarHBondContact O-CB 3.42Å; R102-A106 PolarHBondContact O-N 2.95Å
103	A	98.8	Very high	98.5	Very high	25 Å²	25	61.6 Å²	61.6	21%	0.207	30%	0.297	C	S	.	.	H	α-helix	trans	-68	-41.7	179.1	0	0	0	0	0	111.8	Y80 T99 W101 A106 M107	Y80-A103 HydrophobicContact CD1-CB 3.71Å; Y80-A103 HydrophobicContact CD2-CB 3.77Å; Y80-A103 HydrophobicContact CE1-CB 3.85Å; Y80-A103 VanDerWaalsContact CE2-C 3.47Å; Y80-A103 HydrophobicContact CE2-CB 3.92Å; Y80-A103 HydrophobicContact CG-CB 3.67Å; T99-A103 VanDerWaalsContact O-CB 3.27Å; T99-A103 WeakPolarHBondContact O-CB 3.45Å; T99-A103 PolarHBondContact O-N 3.4Å; W101-A103 VanDerWaalsContact C-N 3.32Å; W101-A103 PolarHBondContact O-N 3.35Å; A103-A106 PolarHBondContact O-N 3.04Å; A103-M107 WeakPolarHBondContact O-CB 3.29Å; A103-M107 PolarHBondContact O-N 2.85Å
104	A	98.8	Very high	98.4	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-59.3	-53.1	174.2	0	0	0	0	0	111.5	L73 L76 A77 Y80 P100 W101 A106 M107 Q108	L73-A104 HydrophobicContact CD1-CB 3.65Å; L76-A104 HydrophobicContact CB-CB 3.67Å; A77-A104 HydrophobicContact CB-CB 4.31Å; Y80-A104 HydrophobicContact CD2-CB 4.07Å; Y80-A104 HydrophobicContact CE2-CB 4.32Å; P100-A104 VanDerWaalsContact O-CB 3.28Å; P100-A104 WeakPolarHBondContact O-CB 3.3Å; P100-A104 PolarHBondContact O-N 3.14Å; W101-A104 PolarHBondContact O-N 3.3Å; A104-A106 VanDerWaalsContact C-N 3.34Å; A104-A106 PolarHBondContact O-N 3.47Å; A104-M107 PolarHBondContact O-N 3Å; A104-Q108 WeakPolarHBondContact O-CG 3.46Å; A104-Q108 PolarHBondContact O-N 3.5Å
105	T	98.6	Very high	98.2	Very high	73 Å²	73	55.2 Å²	55.2	45%	0.448	27%	0.268	S	S	.	.	H	α-helix	trans	-60.2	-41.8	177.9	-56	0	0	0	0	112.1	W101 M107 Q108 F109	W101-T105 PolarHBondContact O-N 2.97Å; W101-T105 PolarHBondContact O-OG1 3.48Å; W101-T105 VanDerWaalsContact O-OG1 3.07Å; T105-M107 PolarHBondContact O-N 3.39Å; T105-Q108 PolarHBondContact O-N 3.25Å; T105-F109 PolarHBondContact O-N 3.2Å
106	A	98.8	Very high	97.8	Very high	36 Å²	36	55.8 Å²	55.8	30%	0.298	26%	0.263	S	S	.	.	H	α-helix	trans	-61.3	-45.1	176.4	0	0	0	0	0	111.9	R102 A103 A104 Q108 F109 F110	R102-A106 VanDerWaalsContact O-CB 3.26Å; R102-A106 WeakPolarHBondContact O-CB 3.42Å; R102-A106 PolarHBondContact O-N 2.95Å; A103-A106 PolarHBondContact O-N 3.04Å; A104-A106 VanDerWaalsContact C-N 3.34Å; A104-A106 PolarHBondContact O-N 3.47Å; A106-Q108 VanDerWaalsContact C-N 3.33Å; A106-Q108 PolarHBondContact O-N 3.45Å; A106-F109 WeakPolarHBondContact O-CB 3.47Å; A106-F109 PolarHBondContact O-N 3.16Å; A106-F109 VanDerWaalsContact O-N 3.17Å; A106-F110 HydrophobicContact CB-CE2 4.04Å; A106-F110 HydrophobicContact CB-CZ 4.26Å; A106-F110 VanDerWaalsContact O-CD2 3.25Å; A106-F110 WeakPolarHBondContact O-CD2 3.34Å; A106-F110 WeakPolarHBondContact O-CG 3.44Å; A106-F110 PolarHBondContact O-N 3.18Å
107	M	98.8	Very high	97.2	Very high	34 Å²	34	57.3 Å²	57.3	17%	0.167	27%	0.269	C	S	.	.	H	α-helix	trans	-64.1	-38.6	177.3	-173.1	57.3	71	0	0	112	Y80 A103 A104 T105 F109 F110 T111	Y80-M107 HydrophobicContact CE2-CB 4.39Å; Y80-M107 WeakPolarHBondContact OH-CB 3.38Å; Y80-M107 VanDerWaalsContact OH-CE 3.31Å; Y80-M107 WeakPolarHBondContact OH-CE 3.32Å; A103-M107 WeakPolarHBondContact O-CB 3.29Å; A103-M107 PolarHBondContact O-N 2.85Å; A104-M107 PolarHBondContact O-N 3Å; T105-M107 PolarHBondContact O-N 3.39Å; M107-F109 VanDerWaalsContact C-N 3.32Å; M107-F109 PolarHBondContact O-N 3.49Å; M107-F110 PolarHBondContact O-N 2.84Å; M107-T111 WeakPolarHBondContact O-CB 3.19Å; M107-T111 PolarHBondContact O-N 3.37Å; M107-T111 VanDerWaalsContact O-N 3.11Å; M107-T111 PolarHBondContact O-OG1 3.18Å; M107-T111 HydrophobicContact SD-CG2 4.27Å
108	Q	98.5	Very high	96.6	Very high	22 Å²	22	53.2 Å²	53.2	10%	0.103	25%	0.248	C	C	.	.	H	α-helix	trans	-61.2	-41.3	173.4	-67	-168.9	-35.3	0	0	111.6	N69 S72 L76 A104 T105 A106 T111 K112	N69-Q108 PolarHBondContact O-NE2 2.82Å; S72-Q108 PolarHBondContact OG-NE2 3.04Å; S72-Q108 VanDerWaalsContact OG-NE2 3.14Å; L76-Q108 HydrophobicContact CD1-CG 3.76Å; A104-Q108 WeakPolarHBondContact O-CG 3.46Å; A104-Q108 PolarHBondContact O-N 3.5Å; T105-Q108 PolarHBondContact O-N 3.25Å; A106-Q108 VanDerWaalsContact C-N 3.33Å; A106-Q108 PolarHBondContact O-N 3.45Å; Q108-T111 CarbonylContact O-C 3.37Å; Q108-T111 PolarHBondContact O-N 2.84Å; Q108-T111 PolarHBondContact O-OG1 3.08Å; Q108-K112 PolarHBondContact O-N 3.31Å
109	F	98.6	Very high	95.9	Very high	102 Å²	102	48.1 Å²	48.1	45%	0.447	23%	0.227	S	C	.	.	H	α-helix	trans	-65.4	-44.9	175.1	179.2	-94.3	0	0	0	112.6	T105 A106 M107 T111 K112	T105-F109 PolarHBondContact O-N 3.2Å; A106-F109 WeakPolarHBondContact O-CB 3.47Å; A106-F109 PolarHBondContact O-N 3.16Å; A106-F109 VanDerWaalsContact O-N 3.17Å; M107-F109 VanDerWaalsContact C-N 3.32Å; M107-F109 PolarHBondContact O-N 3.49Å; F109-T111 PolarHBondContact O-N 2.91Å; F109-T111 VanDerWaalsContact O-N 3.1Å; F109-K112 HydrophobicContact CD2-CD 4.03Å; F109-K112 HydrophobicContact CE2-CD 3.93Å; F109-K112 WeakPolarHBondContact O-CB 3.42Å; F109-K112 WeakPolarHBondContact O-CG 3.39Å; F109-K112 PolarHBondContact O-N 2.98Å; F109-K112 VanDerWaalsContact O-N 3.12Å
110	F	98.7	Very high	95.1	Very high	76 Å²	76	51.6 Å²	51.6	33%	0.333	25%	0.245	S	C	.	.	H	α-helix	trans	-62.6	-18.4	176.9	-59.8	-30.4	0	0	0	113.2	A106 M107 M145 R182 R183	A106-F110 HydrophobicContact CB-CE2 4.04Å; A106-F110 HydrophobicContact CB-CZ 4.26Å; A106-F110 VanDerWaalsContact O-CD2 3.25Å; A106-F110 WeakPolarHBondContact O-CD2 3.34Å; A106-F110 WeakPolarHBondContact O-CG 3.44Å; A106-F110 PolarHBondContact O-N 3.18Å; M107-F110 PolarHBondContact O-N 2.84Å; F110-M145 HydrophobicContact CB-CE 4.29Å; F110-M145 HydrophobicContact CD2-CE 3.98Å; F110-M145 HydrophobicContact CG-CE 4.2Å; F110-R182 CarbonylContact O-C 3.59Å; F110-R182 WeakPolarHBondContact O-CA 3.22Å; F110-R183 PolarHBondContact O-N 3.14Å
111	T	98.4	Very high	94.3	Very high	15 Å²	15	51.9 Å²	51.9	9%	0.092	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.5	17.4	179.5	57	0	0	0	0	112.9	R64 M107 Q108 F109 G113 Y114 R182 L184	R64-T111 PolarHBondContact NH1-O 2.88Å; R64-T111 PolarHBondContact NH1-OG1 2.87Å; M107-T111 WeakPolarHBondContact O-CB 3.19Å; M107-T111 PolarHBondContact O-N 3.37Å; M107-T111 VanDerWaalsContact O-N 3.11Å; M107-T111 PolarHBondContact O-OG1 3.18Å; M107-T111 HydrophobicContact SD-CG2 4.27Å; Q108-T111 CarbonylContact O-C 3.37Å; Q108-T111 PolarHBondContact O-N 2.84Å; Q108-T111 PolarHBondContact O-OG1 3.08Å; F109-T111 PolarHBondContact O-N 2.91Å; F109-T111 VanDerWaalsContact O-N 3.1Å; T111-G113 PolarHBondContact O-N 3.13Å; T111-Y114 HydrophobicContact CG2-CE2 4.25Å; T111-Y114 WeakPolarHBondContact O-CD2 3.32Å; T111-Y114 PolarHBondContact O-N 3.05Å; T111-R182 CarbonylContact C-O 3.52Å; T111-R182 WeakPolarHBondContact CA-O 3.09Å; T111-L184 HydrophobicContact CG2-CD2 4.11Å; T111-L184 HydrophobicContact CG2-CG 4.37Å
112	K	97.5	Very high	93.5	Very high	28 Å²	28	46.4 Å²	46.4	12%	0.122	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-64.8	-22.6	-177.7	75	-179.5	-179.3	75.2	0	113.1	Q108 F109 Y114 Q115 E116 E178 R182	Q108-K112 PolarHBondContact O-N 3.31Å; F109-K112 HydrophobicContact CD2-CD 4.03Å; F109-K112 HydrophobicContact CE2-CD 3.93Å; F109-K112 WeakPolarHBondContact O-CB 3.42Å; F109-K112 WeakPolarHBondContact O-CG 3.39Å; F109-K112 PolarHBondContact O-N 2.98Å; F109-K112 VanDerWaalsContact O-N 3.12Å; K112-Y114 PolarHBondContact O-N 3.05Å; K112-Q115 WeakPolarHBondContact O-CG 3Å; K112-Q115 PolarHBondContact O-N 2.96Å; K112-E116 IonicContact NZ-OE1 3.57Å; K112-E116 PolarHBondContact NZ-OE1 3.12Å; K112-E178 VanDerWaalsContact CE-OE2 3.31Å; K112-E178 WeakPolarHBondContact CE-OE2 3.22Å; K112-E178 IonicContact NZ-OE2 2.87Å; K112-E178 PolarHBondContact NZ-OE2 3.32Å; K112-R182 HydrophobicContact CG-CB 3.88Å; K112-R182 HydrophobicContact CG-CG 4.09Å; K112-R182 PolarHBondContact N-O 3.27Å
113	G	96.9	Very high	92.3	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-61.7	-14.7	-179.3	0	0	0	0	0	114.6	T111 Q115 I179 R182 R183	T111-G113 PolarHBondContact O-N 3.13Å; G113-Q115 VanDerWaalsContact C-N 3.29Å; G113-I179 CarbonylContact C-O 3.56Å; G113-I179 WeakPolarHBondContact CA-O 3.4Å; G113-R182 WeakPolarHBondContact CA-O 3.25Å; G113-R182 PolarHBondContact N-O 3.49Å; G113-R183 PolarHBondContact O-NE 3.12Å; G113-R183 PolarHBondContact O-NH2 3.47Å
114	Y	96.3	Very high	91	Very high	88 Å²	88	50.9 Å²	50.9	35%	0.345	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-74.6	-13.8	170.9	-64.1	-64.6	0	0	0	114.1	T63 R64 T111 K112 R183 L184	T63-Y114 WeakPolarHBondContact CB-O 3.4Å; R64-Y114 PolarHBondContact N-O 3.47Å; T111-Y114 HydrophobicContact CG2-CE2 4.25Å; T111-Y114 WeakPolarHBondContact O-CD2 3.32Å; T111-Y114 PolarHBondContact O-N 3.05Å; K112-Y114 PolarHBondContact O-N 3.05Å; Y114-R183 HydrophobicContact CD1-CG 4Å; Y114-R183 HydrophobicContact CD2-CG 4.33Å; Y114-R183 HydrophobicContact CE1-CB 3.99Å; Y114-R183 HydrophobicContact CE1-CG 3.8Å; Y114-R183 HydrophobicContact CE2-CB 3.98Å; Y114-R183 HydrophobicContact CE2-CG 4.13Å; Y114-R183 HydrophobicContact CG-CG 4.25Å; Y114-L184 PolarHBondContact OH-N 2.68Å; Y114-L184 PolarHBondContact OH-O 3.11Å
115	Q	93.6	Very high	90.4	Very high	59 Å²	59	51.6 Å²	51.6	28%	0.276	26%	0.264	S	S	.	.	S	Bend	trans	-95.1	-13.7	177.7	85.1	-156.3	6.8	0	0	112.9	R64 N69 K112 G113	R64-Q115 HydrophobicContact CB-CB 4.29Å; R64-Q115 VanDerWaalsContact O-CA 3.3Å; R64-Q115 WeakPolarHBondContact O-CA 3.44Å; R64-Q115 WeakPolarHBondContact O-CB 3.44Å; N69-Q115 PolarHBondContact ND2-OE1 2.89Å; K112-Q115 WeakPolarHBondContact O-CG 3Å; K112-Q115 PolarHBondContact O-N 2.96Å; G113-Q115 VanDerWaalsContact C-N 3.29Å
116	E	90.1	Very high	89.7	Confident	41 Å²	41	50.6 Å²	50.6	19%	0.192	26%	0.255	C	S	.	.			trans	-96.8	132.5	-171.3	-60.7	-177.7	-161.3	0	0	111.2	K112 I179	K112-E116 IonicContact NZ-OE1 3.57Å; K112-E116 PolarHBondContact NZ-OE1 3.12Å; E116-I179 HydrophobicContact CB-CG1 3.9Å; E116-I179 HydrophobicContact CB-CG2 4.45Å; E116-I179 VanDerWaalsContact OE2-CG1 3.28Å; E116-I179 WeakPolarHBondContact OE2-CG1 3.29Å
117	K	87.3	Confident	89.2	Confident	45 Å²	45	53.7 Å²	53.7	20%	0.196	26%	0.262	C	S	.	.			trans	-101.3	142.8	170.8	-59.4	-175.7	175	-165.4	0	109.7	K59 E61 T63 I119 D120 V121	K59-K117 PolarHBondContact O-NZ 3.23Å; E61-K117 WeakPolarHBondContact O-CE 3.46Å; E61-K117 PolarHBondContact O-NZ 3.19Å; T63-K117 HydrophobicContact CG2-CD 4.47Å; T63-K117 HydrophobicContact CG2-CG 3.78Å; K117-I119 VanDerWaalsContact C-N 3.29Å; K117-I119 HydrophobicContact CB-CG2 4.07Å; K117-I119 PolarHBondContact O-N 2.88Å; K117-D120 PolarHBondContact O-N 3.3Å; K117-V121 PolarHBondContact O-N 2.95Å
118	I	85.3	Confident	88.5	Confident	4 Å²	4	58.6 Å²	58.6	2%	0.021	29%	0.289	C	S	.	.	H	α-helix	trans	-63.9	-36.8	179.5	-80.2	171.9	0	0	0	111.8	W58 D120 V121 L122 I179 Y180 A197	W58-I118 HydrophobicContact CD2-CB 4.5Å; W58-I118 HydrophobicContact CE3-CB 3.72Å; W58-I118 HydrophobicContact CE3-CD1 4.37Å; W58-I118 HydrophobicContact CE3-CG1 4.3Å; W58-I118 HydrophobicContact CH2-CB 3.88Å; W58-I118 HydrophobicContact CH2-CD1 3.06Å; W58-I118 HydrophobicContact CH2-CG1 3.85Å; W58-I118 HydrophobicContact CH2-CG2 4.43Å; W58-I118 HydrophobicContact CZ2-CD1 4.13Å; W58-I118 HydrophobicContact CZ3-CB 3.39Å; W58-I118 HydrophobicContact CZ3-CD1 3.21Å; W58-I118 HydrophobicContact CZ3-CG1 3.48Å; W58-I118 VanDerWaalsContact CZ3-CG1 3.48Å; W58-I118 HydrophobicContact CZ3-CG2 4.35Å; I118-D120 VanDerWaalsContact C-N 3.27Å; I118-D120 PolarHBondContact O-N 3.39Å; I118-V121 WeakPolarHBondContact O-CA 3.32Å; I118-V121 WeakPolarHBondContact O-CB 3.33Å; I118-V121 PolarHBondContact O-N 3.41Å; I118-L122 HydrophobicContact CG2-CD1 3.67Å; I118-L122 HydrophobicContact CG2-CD2 4.5Å; I118-L122 HydrophobicContact CG2-CG 3.88Å; I118-L122 WeakPolarHBondContact O-CG 3.45Å; I118-L122 PolarHBondContact O-N 2.89Å; I118-I179 HydrophobicContact CG1-CD1 3.56Å; I118-Y180 HydrophobicContact CD1-CE2 3.69Å; I118-Y180 VanDerWaalsContact CD1-OH 3.22Å; I118-Y180 WeakPolarHBondContact CD1-OH 3.43Å; I118-A197 HydrophobicContact CD1-CB 3.33Å
119	I	83.2	Confident	87.7	Confident	50 Å²	50	62.9 Å²	62.9	26%	0.256	31%	0.309	S	S	.	.	H	α-helix	trans	-56.8	-42	179.2	-166.6	65.9	0	0	0	112.2	M55 K117 V121 L122 N123	M55-I119 HydrophobicContact CE-CD1 3.85Å; K117-I119 VanDerWaalsContact C-N 3.29Å; K117-I119 HydrophobicContact CB-CG2 4.07Å; K117-I119 PolarHBondContact O-N 2.88Å; I119-V121 VanDerWaalsContact C-N 3.28Å; I119-V121 PolarHBondContact O-N 2.86Å; I119-L122 PolarHBondContact O-N 2.71Å; I119-N123 PolarHBondContact O-N 3.1Å
120	D	83.1	Confident	87.1	Confident	106 Å²	106	65 Å²	65	57%	0.567	33%	0.325	S	S	*	.	H	α-helix	trans	-69.5	-29.4	178.6	-56.2	-25.5	0	0	0	111.6	K117 I118	K117-D120 PolarHBondContact O-N 3.3Å; I118-D120 VanDerWaalsContact C-N 3.27Å; I118-D120 PolarHBondContact O-N 3.39Å
121	V	80.8	Confident	86.7	Confident	13 Å²	13	64.6 Å²	64.6	8%	0.079	32%	0.324	C	S	.	.	H	α-helix	trans	-74.3	-40.3	175.9	166.3	0	0	0	0	111.4	K117 I118 I119 K172 R175 I179	K117-V121 PolarHBondContact O-N 2.95Å; I118-V121 WeakPolarHBondContact O-CA 3.32Å; I118-V121 WeakPolarHBondContact O-CB 3.33Å; I118-V121 PolarHBondContact O-N 3.41Å; I119-V121 VanDerWaalsContact C-N 3.28Å; I119-V121 PolarHBondContact O-N 2.86Å; V121-K172 WeakPolarHBondContact O-CD 3.33Å; V121-K172 VanDerWaalsContact O-CE 3.23Å; V121-K172 WeakPolarHBondContact O-CE 3.21Å; V121-K172 PolarHBondContact O-NZ 3.34Å; V121-R175 HydrophobicContact CG1-CB 3.35Å; V121-R175 HydrophobicContact CG1-CG 4.28Å; V121-I179 HydrophobicContact CB-CD1 3.91Å; V121-I179 HydrophobicContact CG1-CD1 4.18Å; V121-I179 HydrophobicContact CG2-CD1 3.5Å; V121-I179 VanDerWaalsContact CG2-CD1 3.5Å; V121-I179 HydrophobicContact CG2-CG1 4.1Å
122	L	81.9	Confident	86.4	Confident	13 Å²	13	69.8 Å²	69.8	7%	0.068	35%	0.351	C	S	.	.	H	α-helix	trans	-64.5	-44.1	-177.9	-66.4	172.9	0	0	0	111.7	I118 I119 D124 A125 L168 I176 A201	I118-L122 HydrophobicContact CG2-CD1 3.67Å; I118-L122 HydrophobicContact CG2-CD2 4.5Å; I118-L122 HydrophobicContact CG2-CG 3.88Å; I118-L122 WeakPolarHBondContact O-CG 3.45Å; I118-L122 PolarHBondContact O-N 2.89Å; I119-L122 PolarHBondContact O-N 2.71Å; L122-D124 PolarHBondContact O-N 3.15Å; L122-A125 VanDerWaalsContact O-CB 3.29Å; L122-A125 WeakPolarHBondContact O-CB 3.31Å; L122-A125 PolarHBondContact O-N 3.36Å; L122-L168 HydrophobicContact CD2-CD1 3.66Å; L122-L168 HydrophobicContact CD2-CD2 4.32Å; L122-I176 HydrophobicContact CD2-CD1 4.46Å; L122-A201 HydrophobicContact CD1-CB 3.56Å; L122-A201 HydrophobicContact CD2-CB 3.86Å; L122-A201 HydrophobicContact CG-CB 4.35Å
123	N	73.9	Confident	86.3	Confident	112 Å²	112	74.6 Å²	74.6	60%	0.599	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	36.4	58.8	170.9	-167.3	80.4	0	0	0	114.3	I119 A125	I119-N123 PolarHBondContact O-N 3.1Å; N123-A125 PolarHBondContact O-N 3.26Å
124	D	72.3	Confident	86.3	Confident	152 Å²	152	76.1 Å²	76.1	81%	0.813	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.4	18.8	177.7	-53.4	-37.2	0	0	0	115.9	L122 I126	L122-D124 PolarHBondContact O-N 3.15Å; D124-I126 PolarHBondContact O-N 2.78Å; D124-I126 VanDerWaalsContact O-N 3.09Å
125	A	84.7	Confident	86.4	Confident	14 Å²	14	73 Å²	73	12%	0.116	37%	0.372	C	S	.	.			trans	-85.3	35.2	176.9	0	0	0	0	0	112.6	L122 N123 F127 G169 K172	L122-A125 VanDerWaalsContact O-CB 3.29Å; L122-A125 WeakPolarHBondContact O-CB 3.31Å; L122-A125 PolarHBondContact O-N 3.36Å; N123-A125 PolarHBondContact O-N 3.26Å; A125-F127 HydrophobicContact CB-CE2 4.34Å; A125-F127 HydrophobicContact CB-CZ 4.44Å; A125-F127 WeakPolarHBondContact O-CE2 3.49Å; A125-G169 PolarHBondContact O-N 2.84Å; A125-K172 HydrophobicContact CB-CD 4.33Å; A125-K172 VanDerWaalsContact CB-CE 3.4Å; A125-K172 HydrophobicContact CB-CG 3.9Å
126	I	85.4	Confident	86.6	Confident	53 Å²	53	72.5 Å²	72.5	27%	0.272	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	122.7	172.1	-59.1	176.3	0	0	0	106.3	D124 R166 V167 L168 L202	D124-I126 PolarHBondContact O-N 2.78Å; D124-I126 VanDerWaalsContact O-N 3.09Å; I126-R166 HydrophobicContact CG2-CB 3.91Å; I126-R166 HydrophobicContact CG2-CG 4.26Å; I126-V167 WeakPolarHBondContact CA-O 3.44Å; I126-L168 HydrophobicContact CG1-CD1 4.04Å; I126-L202 HydrophobicContact CD1-CD2 4.12Å; I126-L202 HydrophobicContact CG1-CD2 4.01Å; I126-L202 HydrophobicContact CG2-CD2 4.27Å
127	F	87.4	Confident	87	Confident	101 Å²	101	71.9 Å²	71.9	44%	0.443	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	134.4	-175.7	-52.5	-80.7	0	0	0	109.2	A125 E129 R166 V167	A125-F127 HydrophobicContact CB-CE2 4.34Å; A125-F127 HydrophobicContact CB-CZ 4.44Å; A125-F127 WeakPolarHBondContact O-CE2 3.49Å; F127-E129 VanDerWaalsContact C-N 3.29Å; F127-E129 HydrophobicContact CB-CG 4.07Å; F127-E129 PolarHBondContact O-N 2.91Å; F127-E129 VanDerWaalsContact O-N 3.08Å; F127-R166 WeakPolarHBondContact O-CA 3.16Å; F127-V167 PolarHBondContact N-O 3.02Å; F127-V167 PolarHBondContact O-N 2.83Å
128	D	84.8	Confident	87.5	Confident	137 Å²	137	73.1 Å²	73.1	73%	0.733	38%	0.375	S	S	*	.			trans	-80.2	83.2	170.8	-65.7	-51.7	0	0	0	108.5	K165 R166	D128-K165 WeakPolarHBondContact CA-O 3.35Å; D128-R166 WeakPolarHBondContact OD1-CG 3.29Å
129	E	81.8	Confident	88.1	Confident	112 Å²	112	75.8 Å²	75.8	52%	0.523	39%	0.389	S	S	.	.			trans	-102	129.3	171.8	-65.1	-69.1	163.3	0	0	107.1	F127 H131 K165 V167	F127-E129 VanDerWaalsContact C-N 3.29Å; F127-E129 HydrophobicContact CB-CG 4.07Å; F127-E129 PolarHBondContact O-N 2.91Å; F127-E129 VanDerWaalsContact O-N 3.08Å; E129-H131 HydrophobicContact CB-CB 4.39Å; E129-H131 PolarHBondContact O-N 3.36Å; E129-K165 PolarHBondContact N-O 3.43Å; E129-K165 CarbonylContact O-C 3.06Å; E129-K165 VanDerWaalsContact O-C 3.26Å; E129-K165 WeakPolarHBondContact O-CA 3.39Å; E129-V167 HydrophobicContact CB-CB 4.36Å; E129-V167 HydrophobicContact CB-CG2 3.86Å; E129-V167 HydrophobicContact CG-CB 4.44Å; E129-V167 HydrophobicContact CG-CG2 4.43Å
130	D	86.4	Confident	88.8	Confident	146 Å²	146	74.3 Å²	74.3	78%	0.781	38%	0.382	S	S	*	.			trans	-74.2	59.6	177.1	-163.2	34.9	0	0	0	110.5
131	H	89.5	Confident	89.5	Confident	67 Å²	67	74.7 Å²	74.7	31%	0.31	38%	0.383	S	S	.	.			trans	-117.3	124	-177.8	-164.5	65.5	0	0	0	108.9	E129 E133 P163 V167	E129-H131 HydrophobicContact CB-CB 4.39Å; E129-H131 PolarHBondContact O-N 3.36Å; H131-E133 IonicContact CE1-OE2 2.85Å; H131-P163 WeakPolarHBondContact O-CB 3.4Å; H131-V167 HydrophobicContact CB-CG2 4.19Å
132	D	91.4	Very high	90.4	Very high	125 Å²	125	74.1 Å²	74.1	67%	0.668	38%	0.38	S	S	*	.			trans	-123.2	5.2	-177.7	62.5	-14.2	0	0	0	112.8	L162	D132-L162 VanDerWaalsContact O-CD2 3.27Å; D132-L162 WeakPolarHBondContact O-CD2 3.38Å
133	E	95.7	Very high	91.2	Very high	129 Å²	129	78.6 Å²	78.6	60%	0.603	40%	0.399	S	S	*	.	S	Bend	trans	-90.5	165.1	176	-59.9	-170.4	132.3	0	0	112.7	H131 V135 P163	H131-E133 IonicContact CE1-OE2 2.85Å; E133-V135 PolarHBondContact O-N 2.81Å; E133-P163 WeakPolarHBondContact O-CD 3.47Å
134	M	97.4	Very high	92.4	Very high	32 Å²	32	73.5 Å²	73.5	16%	0.158	37%	0.373	C	S	.	.	P	Polyproline II helix	trans	-68.4	125.7	-174.6	-171.8	-176.4	-56.3	0	0	111.8	I136 L162 F239 T245 E248 F249	M134-I136 HydrophobicContact CG-CD1 4.43Å; M134-I136 HydrophobicContact CG-CG1 4Å; M134-I136 HydrophobicContact SD-CD1 3.72Å; M134-I136 HydrophobicContact SD-CG1 3.87Å; M134-L162 HydrophobicContact CB-CD2 4.13Å; M134-L162 HydrophobicContact CB-CG 4.42Å; M134-F239 HydrophobicContact CE-CE1 4.21Å; M134-F239 HydrophobicContact CE-CZ 3.9Å; M134-F239 HydrophobicContact CG-CZ 4.04Å; M134-F239 HydrophobicContact SD-CE1 4.23Å; M134-F239 HydrophobicContact SD-CZ 3.94Å; M134-T245 HydrophobicContact CE-CG2 3.75Å; M134-T245 WeakPolarHBondContact CE-O 3.29Å; M134-E248 HydrophobicContact CE-CB 4.34Å; M134-E248 HydrophobicContact CE-CG 4.29Å; M134-F249 HydrophobicContact CE-CB 4.02Å; M134-F249 HydrophobicContact SD-CB 3.79Å; M134-F249 HydrophobicContact SD-CD2 4.29Å; M134-F249 HydrophobicContact SD-CG 4.49Å
135	V	97.6	Very high	93.6	Very high	22 Å²	22	66.6 Å²	66.6	13%	0.133	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	126.8	171.4	179.7	0	0	0	0	109.4	E133 G160 Y161 P163 L170	E133-V135 PolarHBondContact O-N 2.81Å; V135-G160 CarbonylContact O-C 3.02Å; V135-G160 VanDerWaalsContact O-CA 3.3Å; V135-G160 WeakPolarHBondContact O-CA 3.44Å; V135-Y161 HydrophobicContact CB-CD1 4.07Å; V135-Y161 HydrophobicContact CB-CE1 3.59Å; V135-Y161 HydrophobicContact CG1-CD1 4.41Å; V135-Y161 HydrophobicContact CG1-CE1 3.63Å; V135-Y161 HydrophobicContact CG2-CE1 4.43Å; V135-Y161 PolarHBondContact N-O 3.39Å; V135-Y161 PolarHBondContact O-N 3.24Å; V135-P163 HydrophobicContact CG2-CG 3.97Å; V135-L170 HydrophobicContact CG1-CD2 4.18Å
136	I	98.2	Very high	94.3	Very high	48 Å²	48	66.2 Å²	66.2	25%	0.246	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	129.2	178.5	-60	177.3	0	0	0	110.8	M134 K138 I159 F249 L252 I253	M134-I136 HydrophobicContact CG-CD1 4.43Å; M134-I136 HydrophobicContact CG-CG1 4Å; M134-I136 HydrophobicContact SD-CD1 3.72Å; M134-I136 HydrophobicContact SD-CG1 3.87Å; I136-K138 HydrophobicContact CG2-CB 4.1Å; I136-K138 HydrophobicContact CG2-CG 4.46Å; I136-I159 CarbonylContact C-O 3.5Å; I136-I159 VanDerWaalsContact CA-O 3.32Å; I136-I159 WeakPolarHBondContact CA-O 3.22Å; I136-F249 HydrophobicContact CD1-CD2 3.96Å; I136-F249 HydrophobicContact CG1-CD2 4.2Å; I136-L252 HydrophobicContact CD1-CB 3.52Å; I136-L252 HydrophobicContact CD1-CD1 3.57Å; I136-L252 HydrophobicContact CD1-CG 4.2Å; I136-I253 HydrophobicContact CG2-CG2 4.07Å
137	V	98.3	Very high	94.9	Very high	29 Å²	29	66.6 Å²	66.6	18%	0.176	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	109.6	162	-175.4	0	0	0	0	107.8	I140 I159 L170 L173	V137-I140 HydrophobicContact CB-CD1 4.31Å; V137-I140 HydrophobicContact CG1-CD1 3.75Å; V137-I140 HydrophobicContact CG1-CG1 3.81Å; V137-I159 PolarHBondContact N-O 3.31Å; V137-I159 PolarHBondContact O-N 3.48Å; V137-L170 HydrophobicContact CG2-CB 4.4Å; V137-L170 HydrophobicContact CG2-CD2 3.81Å; V137-L173 HydrophobicContact CB-CD1 4.07Å; V137-L173 HydrophobicContact CG2-CD1 3.57Å
138	K	97.7	Very high	95.4	Very high	70 Å²	70	68 Å²	68	30%	0.304	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	163.9	-178.4	61.9	173.1	-178.1	177.6	0	111.9	I136 I140 H158 L252 S255	I136-K138 HydrophobicContact CG2-CB 4.1Å; I136-K138 HydrophobicContact CG2-CG 4.46Å; K138-I140 VanDerWaalsContact C-N 3.31Å; K138-I140 PolarHBondContact O-N 3.44Å; K138-H158 HydrophobicContact CB-CB 4.34Å; K138-H158 WeakPolarHBondContact CB-ND1 3.46Å; K138-L252 PolarHBondContact NZ-O 3.3Å; K138-S255 PolarHBondContact NZ-O 3.48Å; K138-S255 PolarHBondContact NZ-OG 2.95Å
139	D	97.9	Very high	96.1	Very high	61 Å²	61	65.4 Å²	65.4	33%	0.326	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	60.5	37.1	178.3	-58	-59.8	0	0	0	114	D141 R156 H158	D139-D141 PolarHBondContact O-N 3.48Å; D139-R156 WeakPolarHBondContact OD1-CD 3.4Å; D139-R156 IonicContact OD1-CZ 2.89Å; D139-R156 IonicContact OD1-NE 2.72Å; D139-R156 IonicContact OD1-NH1 2.68Å; D139-R156 PolarHBondContact OD1-NH1 3.31Å; D139-H158 PolarHBondContact N-ND1 2.82Å; D139-H158 IonicContact OD1-CE1 2.72Å; D139-H158 PolarHBondContact OD1-CE1 3.31Å
140	I	98.5	Very high	96.9	Very high	19 Å²	19	64.5 Å²	64.5	10%	0.097	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	108.4	170.8	-53.9	171.9	0	0	0	107.6	V137 K138 M142 R156 V157 I159 A174 V177	V137-I140 HydrophobicContact CB-CD1 4.31Å; V137-I140 HydrophobicContact CG1-CD1 3.75Å; V137-I140 HydrophobicContact CG1-CG1 3.81Å; K138-I140 VanDerWaalsContact C-N 3.31Å; K138-I140 PolarHBondContact O-N 3.44Å; I140-M142 PolarHBondContact O-N 3.39Å; I140-R156 CarbonylContact O-C 3.57Å; I140-R156 WeakPolarHBondContact O-CA 3.41Å; I140-V157 HydrophobicContact CB-CB 4.3Å; I140-V157 WeakPolarHBondContact CB-O 3.28Å; I140-V157 PolarHBondContact N-O 3.33Å; I140-V157 PolarHBondContact O-N 2.88Å; I140-I159 HydrophobicContact CD1-CD1 3.75Å; I140-I159 HydrophobicContact CD1-CG1 4.29Å; I140-A174 HydrophobicContact CG2-CB 4.02Å; I140-V177 HydrophobicContact CD1-CG2 4.26Å; I140-V177 HydrophobicContact CG2-CB 4.34Å; I140-V177 HydrophobicContact CG2-CG1 4.35Å; I140-V177 HydrophobicContact CG2-CG2 4.27Å
141	D	98.6	Very high	97.5	Very high	113 Å²	113	58.8 Å²	58.8	60%	0.604	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.7	131.5	174.4	-73.9	-40.8	0	0	0	110.7	D139 F143	D139-D141 PolarHBondContact O-N 3.48Å; D141-F143 HydrophobicContact CB-CE2 4.45Å
142	M	98.6	Very high	97.9	Very high	2 Å²	2	58.4 Å²	58.4	1%	0.01	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	133.8	-176.3	179.3	-79.9	-69	0	0	110.6	I140 F154 G155 V157 V177 L190 V211 A213	I140-M142 PolarHBondContact O-N 3.39Å; M142-F154 CarbonylContact O-C 3.55Å; M142-F154 VanDerWaalsContact O-CA 3.22Å; M142-F154 WeakPolarHBondContact O-CA 3.39Å; M142-G155 PolarHBondContact N-O 3Å; M142-G155 PolarHBondContact O-N 2.97Å; M142-V157 HydrophobicContact CB-CG2 3.72Å; M142-V157 HydrophobicContact CG-CG2 3.97Å; M142-V177 HydrophobicContact CB-CG1 4.15Å; M142-V177 HydrophobicContact CG-CG1 3.97Å; M142-L190 HydrophobicContact CE-CD2 3.94Å; M142-L190 HydrophobicContact CG-CD2 4.37Å; M142-L190 HydrophobicContact SD-CD2 3.88Å; M142-V211 HydrophobicContact CE-CG1 3.67Å; M142-A213 HydrophobicContact CE-CB 4.02Å
143	F	98.8	Very high	98.3	Very high	106 Å²	106	52.6 Å²	52.6	47%	0.465	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	130.3	170.7	-58	-87.7	0	0	0	108.9	D141 F154 S181	D141-F143 HydrophobicContact CB-CE2 4.45Å; F143-F154 HydrophobicContact CD1-CB 3.66Å; F143-F154 HydrophobicContact CE1-CB 3.98Å; F143-S181 CarbonylContact O-C 3.58Å; F143-S181 VanDerWaalsContact O-CB 3.29Å; F143-S181 WeakPolarHBondContact O-CB 3.29Å; F143-S181 PolarHBondContact O-OG 3.49Å
144	S	98.8	Very high	98.4	Very high	6 Å²	6	50.1 Å²	50.1	4%	0.042	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	179.5	178.1	-163.4	0	0	0	0	111.5	P152 I153 S181 Q185	S144-P152 WeakPolarHBondContact O-CA 3.46Å; S144-I153 PolarHBondContact N-O 3.09Å; S144-I153 PolarHBondContact O-N 3.2Å; S144-I153 VanDerWaalsContact O-O 3.13Å; S144-S181 WeakPolarHBondContact CA-O 3.2Å; S144-S181 WeakPolarHBondContact CB-O 3.47Å; S144-S181 PolarHBondContact OG-O 2.94Å; S144-Q185 WeakPolarHBondContact OG-CB 3.17Å
145	M	98.9	Very high	98.5	Very high	7 Å²	7	49.5 Å²	49.5	3%	0.034	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	122.6	-176.3	-160.7	59.4	41.9	0	0	110	F110 E147 L150 V151 P152 L184 Q185	F110-M145 HydrophobicContact CB-CE 4.29Å; F110-M145 HydrophobicContact CD2-CE 3.98Å; F110-M145 HydrophobicContact CG-CE 4.2Å; M145-E147 PolarHBondContact O-N 3.45Å; M145-L150 VanDerWaalsContact SD-O 3.4Å; M145-V151 PolarHBondContact SD-N 3.42Å; M145-V151 VanDerWaalsContact SD-N 3.43Å; M145-P152 HydrophobicContact CE-CB 4.32Å; M145-P152 HydrophobicContact CE-CG 3.98Å; M145-P152 HydrophobicContact SD-CG 4.37Å; M145-L184 HydrophobicContact CB-CD2 3.88Å; M145-L184 HydrophobicContact CG-CD2 3.74Å; M145-Q185 PolarHBondContact O-N 3.36Å
146	C	98.6	Very high	98.5	Very high	6 Å²	6	54.3 Å²	54.3	4%	0.041	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	118.6	175.8	-178.2	0	0	0	0	109.6	H148 H149 L150 V151 I153	C146-H148 PolarHBondContact O-N 3.3Å; C146-H149 PolarHBondContact O-N 3.09Å; C146-L150 WeakPolarHBondContact O-CA 3.4Å; C146-L150 PolarHBondContact O-N 3Å; C146-V151 VanDerWaalsContact CB-O 3.28Å; C146-V151 WeakPolarHBondContact CB-O 3.49Å; C146-V151 PolarHBondContact N-O 3.17Å; C146-I153 HydrophobicContact CB-CD1 3.76Å; C146-I153 HydrophobicContact CB-CG1 3.9Å
147	E	98.6	Very high	98.5	Very high	61 Å²	61	52 Å²	52	29%	0.285	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-27.1	-177.3	68.6	-169.8	-155.9	0	0	113.5	M145 H149 L184 Q185 V186 R189	M145-E147 PolarHBondContact O-N 3.45Å; E147-H149 PolarHBondContact O-N 3.26Å; E147-L184 HydrophobicContact CB-CB 3.81Å; E147-Q185 PolarHBondContact N-O 3.21Å; E147-V186 HydrophobicContact CG-CG2 3.92Å; E147-V186 VanDerWaalsContact OE1-CG2 3.3Å; E147-V186 WeakPolarHBondContact OE1-CG2 3.28Å; E147-R189 IonicContact OE1-CZ 3.25Å; E147-R189 IonicContact OE1-NH1 2.91Å; E147-R189 PolarHBondContact OE1-NH1 3.17Å; E147-R189 IonicContact OE1-NH2 2.7Å; E147-R189 PolarHBondContact OE1-NH2 3.06Å; E147-R189 IonicContact OE2-CZ 3.89Å; E147-R189 IonicContact OE2-NH1 2.96Å; E147-R189 PolarHBondContact OE2-NH1 3.44Å; E147-R189 IonicContact OE2-NH2 2.74Å
148	H	98.4	Very high	98.6	Very high	130 Å²	130	51.2 Å²	51.2	60%	0.602	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-27.2	-179.1	-55.2	116.1	0	0	0	114.1	C146	C146-H148 PolarHBondContact O-N 3.3Å
149	H	98.6	Very high	98.6	Very high	83 Å²	83	47.9 Å²	47.9	38%	0.384	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-134.2	-6.5	-170.4	-57.4	103.5	0	0	0	114.2	C146 E147 V151 C217 R221	C146-H149 PolarHBondContact O-N 3.09Å; E147-H149 PolarHBondContact O-N 3.26Å; H149-V151 HydrophobicContact CB-CB 4.28Å; H149-V151 HydrophobicContact CB-CG2 4.28Å; H149-V151 PolarHBondContact O-N 2.87Å; H149-C217 HydrophobicContact CB-CB 4.34Å; H149-R221 PolarHBondContact CD2-NH1 2.86Å; H149-R221 PolarHBondContact NE2-NH1 3.5Å
150	L	98.6	Very high	98.6	Very high	93 Å²	93	45 Å²	45	49%	0.487	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.2	40.9	-174	-49.7	-177.2	0	0	0	112.6	M145 C146 L184	M145-L150 VanDerWaalsContact SD-O 3.4Å; C146-L150 WeakPolarHBondContact O-CA 3.4Å; C146-L150 PolarHBondContact O-N 3Å; L150-L184 HydrophobicContact CD2-CD1 3.83Å; L150-L184 HydrophobicContact CD2-CD2 3.67Å; L150-L184 HydrophobicContact CD2-CG 4.39Å
151	V	98.6	Very high	98.6	Very high	26 Å²	26	44 Å²	44	16%	0.158	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	143.3	-177.8	163.6	0	0	0	0	109.4	M145 C146 H149 M216 C217 M220	M145-V151 PolarHBondContact SD-N 3.42Å; M145-V151 VanDerWaalsContact SD-N 3.43Å; C146-V151 VanDerWaalsContact CB-O 3.28Å; C146-V151 WeakPolarHBondContact CB-O 3.49Å; C146-V151 PolarHBondContact N-O 3.17Å; H149-V151 HydrophobicContact CB-CB 4.28Å; H149-V151 HydrophobicContact CB-CG2 4.28Å; H149-V151 PolarHBondContact O-N 2.87Å; V151-M216 HydrophobicContact CG1-CB 3.34Å; V151-C217 HydrophobicContact CG1-CB 4.39Å; V151-M220 HydrophobicContact CG1-SD 4.34Å
152	P	98.7	Very high	98.6	Very high	58 Å²	58	40 Å²	40	38%	0.377	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	144.6	-172.4	-26.7	34.7	0	0	0	115.4	S144 M145 M216	S144-P152 WeakPolarHBondContact O-CA 3.46Å; M145-P152 HydrophobicContact CE-CB 4.32Å; M145-P152 HydrophobicContact CE-CG 3.98Å; M145-P152 HydrophobicContact SD-CG 4.37Å; P152-M216 WeakPolarHBondContact O-CB 3.38Å; P152-M216 PolarHBondContact O-N 2.96Å
153	I	98.6	Very high	98.4	Very high	4 Å²	4	40 Å²	40	2%	0.021	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	129.4	162.3	-56.2	168.3	0	0	0	105.7	S144 C146 A213 T214	S144-I153 PolarHBondContact N-O 3.09Å; S144-I153 PolarHBondContact O-N 3.2Å; S144-I153 VanDerWaalsContact O-O 3.13Å; C146-I153 HydrophobicContact CB-CD1 3.76Å; C146-I153 HydrophobicContact CB-CG1 3.9Å; I153-A213 HydrophobicContact CG2-CB 3.65Å; I153-T214 WeakPolarHBondContact CA-O 3.45Å
154	F	98.6	Very high	98	Very high	77 Å²	77	39.5 Å²	39.5	34%	0.338	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	151.1	178.5	62	-92.9	0	0	0	111.4	M142 F143 A213 T214 M216	M142-F154 CarbonylContact O-C 3.55Å; M142-F154 VanDerWaalsContact O-CA 3.22Å; M142-F154 WeakPolarHBondContact O-CA 3.39Å; F143-F154 HydrophobicContact CD1-CB 3.66Å; F143-F154 HydrophobicContact CE1-CB 3.98Å; F154-A213 CarbonylContact O-C 3.56Å; F154-A213 WeakPolarHBondContact O-CA 3.46Å; F154-A213 WeakPolarHBondContact O-CB 3.28Å; F154-T214 HydrophobicContact CZ-CG2 4.17Å; F154-T214 PolarHBondContact N-O 3.32Å; F154-T214 VanDerWaalsContact N-O 3.08Å; F154-T214 PolarHBondContact O-N 2.63Å; F154-M216 HydrophobicContact CD1-CG 4.34Å; F154-M216 HydrophobicContact CE1-CG 3.69Å; F154-M216 HydrophobicContact CE1-SD 3.81Å; F154-M216 HydrophobicContact CZ-SD 4.34Å
155	G	98.5	Very high	97.4	Very high	18 Å²	18	45.3 Å²	45.3	19%	0.186	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	170.7	-149.8	-173.9	0	0	0	0	0	112.1	M142 E212	M142-G155 PolarHBondContact N-O 3Å; M142-G155 PolarHBondContact O-N 2.97Å; G155-E212 CarbonylContact C-O 3.58Å; G155-E212 VanDerWaalsContact CA-O 3.22Å; G155-E212 WeakPolarHBondContact CA-O 3.49Å
156	R	98.6	Very high	96.9	Very high	124 Å²	124	48.3 Å²	48.3	47%	0.468	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	148.9	-177.6	-62.6	-173.5	-176.5	175.2	3.7	111.4	D139 I140 V211 E212	D139-R156 WeakPolarHBondContact OD1-CD 3.4Å; D139-R156 IonicContact OD1-CZ 2.89Å; D139-R156 IonicContact OD1-NE 2.72Å; D139-R156 IonicContact OD1-NH1 2.68Å; D139-R156 PolarHBondContact OD1-NH1 3.31Å; I140-R156 CarbonylContact O-C 3.57Å; I140-R156 WeakPolarHBondContact O-CA 3.41Å; R156-V211 WeakPolarHBondContact O-CA 3.32Å; R156-E212 PolarHBondContact N-O 2.71Å; R156-E212 PolarHBondContact O-N 3.4Å
157	V	98.9	Very high	96.5	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	135.2	170.5	-173	0	0	0	0	108.7	I140 M142 I159 V177 I194 V209 V210 V211	I140-V157 HydrophobicContact CB-CB 4.3Å; I140-V157 WeakPolarHBondContact CB-O 3.28Å; I140-V157 PolarHBondContact N-O 3.33Å; I140-V157 PolarHBondContact O-N 2.88Å; M142-V157 HydrophobicContact CB-CG2 3.72Å; M142-V157 HydrophobicContact CG-CG2 3.97Å; V157-I159 HydrophobicContact CG1-CD1 4.24Å; V157-I159 HydrophobicContact CG1-CG1 3.88Å; V157-V177 HydrophobicContact CB-CG1 4.42Å; V157-V177 HydrophobicContact CB-CG2 4.17Å; V157-V177 HydrophobicContact CG1-CG2 4Å; V157-V177 HydrophobicContact CG2-CG1 3.82Å; V157-V177 HydrophobicContact CG2-CG2 4.35Å; V157-I194 HydrophobicContact CG1-CD1 4.4Å; V157-V209 HydrophobicContact CG1-CG1 3.86Å; V157-V210 WeakPolarHBondContact CA-O 3.48Å; V157-V211 HydrophobicContact CG1-CG2 4.14Å; V157-V211 HydrophobicContact CG2-CG1 4.34Å; V157-V211 HydrophobicContact CG2-CG2 3.99Å
158	H	98.8	Very high	96.1	Very high	11 Å²	11	46.3 Å²	46.3	5%	0.051	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	127	173.1	-47.1	-93.9	0	0	0	108	K138 D139 V209 V210 I253	K138-H158 HydrophobicContact CB-CB 4.34Å; K138-H158 WeakPolarHBondContact CB-ND1 3.46Å; D139-H158 PolarHBondContact N-ND1 2.82Å; D139-H158 IonicContact OD1-CE1 2.72Å; D139-H158 PolarHBondContact OD1-CE1 3.31Å; H158-V209 WeakPolarHBondContact O-CA 3.26Å; H158-V210 HydrophobicContact CB-CB 4.44Å; H158-V210 PolarHBondContact N-O 3.45Å; H158-V210 PolarHBondContact O-N 3.3Å; H158-I253 HydrophobicContact CB-CB 4.13Å; H158-I253 HydrophobicContact CB-CD1 4.18Å; H158-I253 HydrophobicContact CB-CG2 3.82Å
159	I	98.8	Very high	95.7	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	127.3	-176.7	-59.5	172	0	0	0	107.9	I136 V137 I140 V157 L173 V177 I194 I198 G208 V209	I136-I159 CarbonylContact C-O 3.5Å; I136-I159 VanDerWaalsContact CA-O 3.32Å; I136-I159 WeakPolarHBondContact CA-O 3.22Å; V137-I159 PolarHBondContact N-O 3.31Å; V137-I159 PolarHBondContact O-N 3.48Å; I140-I159 HydrophobicContact CD1-CD1 3.75Å; I140-I159 HydrophobicContact CD1-CG1 4.29Å; V157-I159 HydrophobicContact CG1-CD1 4.24Å; V157-I159 HydrophobicContact CG1-CG1 3.88Å; I159-L173 HydrophobicContact CD1-CB 4.09Å; I159-L173 HydrophobicContact CD1-CD2 4.48Å; I159-L173 HydrophobicContact CG2-CD1 4.3Å; I159-L173 HydrophobicContact CG2-CD2 4.15Å; I159-V177 HydrophobicContact CD1-CG2 3.81Å; I159-I194 HydrophobicContact CD1-CG2 3.98Å; I159-I194 HydrophobicContact CG1-CG2 4.47Å; I159-I198 HydrophobicContact CD1-CD1 4.06Å; I159-I198 HydrophobicContact CG1-CD1 4.46Å; I159-I198 HydrophobicContact CG2-CD1 3.58Å; I159-G208 WeakPolarHBondContact CA-O 3.34Å; I159-V209 HydrophobicContact CG1-CG1 4.49Å; I159-V209 HydrophobicContact CG1-CG2 4.36Å
160	G	98.3	Very high	95.4	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	144.1	167	0	0	0	0	0	109.9	V135 V207 G208	V135-G160 CarbonylContact O-C 3.02Å; V135-G160 VanDerWaalsContact O-CA 3.3Å; V135-G160 WeakPolarHBondContact O-CA 3.44Å; G160-V207 CarbonylContact O-C 3.57Å; G160-V207 WeakPolarHBondContact O-CA 3.4Å; G160-G208 PolarHBondContact N-O 3.43Å; G160-G208 PolarHBondContact O-N 3.3Å
161	Y	98.2	Very high	95.1	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	154.1	168.4	72.6	-76	0	0	0	111	V135 P163 V167 L168 L173 L202 P204 G206	V135-Y161 HydrophobicContact CB-CD1 4.07Å; V135-Y161 HydrophobicContact CB-CE1 3.59Å; V135-Y161 HydrophobicContact CG1-CD1 4.41Å; V135-Y161 HydrophobicContact CG1-CE1 3.63Å; V135-Y161 HydrophobicContact CG2-CE1 4.43Å; V135-Y161 PolarHBondContact N-O 3.39Å; V135-Y161 PolarHBondContact O-N 3.24Å; Y161-P163 HydrophobicContact CD2-CB 4.42Å; Y161-P163 HydrophobicContact CD2-CG 4.11Å; Y161-P163 HydrophobicContact CE2-CB 4.01Å; Y161-P163 HydrophobicContact CE2-CG 3.7Å; Y161-V167 WeakPolarHBondContact OH-CG1 3.18Å; Y161-L168 PolarHBondContact OH-N 2.67Å; Y161-L173 HydrophobicContact CD1-CD1 4.49Å; Y161-L173 HydrophobicContact CE1-CD1 4.11Å; Y161-L202 HydrophobicContact CD2-CD1 4.14Å; Y161-L202 HydrophobicContact CE2-CD1 3.83Å; Y161-P204 HydrophobicContact CD2-CB 4.06Å; Y161-G206 VanDerWaalsContact CA-O 3.29Å; Y161-G206 WeakPolarHBondContact CA-O 3.09Å; Y161-G206 WeakPolarHBondContact CB-O 3.15Å
162	L	97.3	Very high	94.9	Very high	28 Å²	28	40.6 Å²	40.6	15%	0.147	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	105.9	173	-88.9	164.4	0	0	0	108.4	D132 M134 P204 T205 G206 V238 F239 T245	D132-L162 VanDerWaalsContact O-CD2 3.27Å; D132-L162 WeakPolarHBondContact O-CD2 3.38Å; M134-L162 HydrophobicContact CB-CD2 4.13Å; M134-L162 HydrophobicContact CB-CG 4.42Å; L162-P204 WeakPolarHBondContact O-CB 3.47Å; L162-T205 PolarHBondContact O-N 2.98Å; L162-T205 PolarHBondContact O-OG1 2.7Å; L162-G206 PolarHBondContact N-O 2.99Å; L162-V238 HydrophobicContact CB-CG2 4.12Å; L162-V238 HydrophobicContact CD1-CB 4.5Å; L162-V238 HydrophobicContact CD1-CG2 3.41Å; L162-V238 VanDerWaalsContact CD1-CG2 3.41Å; L162-V238 HydrophobicContact CG-CG2 4.37Å; L162-F239 HydrophobicContact CB-CE2 4.31Å; L162-F239 HydrophobicContact CD1-CE2 4.13Å; L162-F239 HydrophobicContact CG-CE2 4.1Å; L162-T245 HydrophobicContact CD1-CG2 3.55Å
163	P	95.1	Very high	94.8	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.013	19%	0.191	C	C	.	.			trans	-63	156.5	-176.4	-11.8	24	0	0	0	111.9	H131 E133 V135 Y161 R166 V167 T205	H131-P163 WeakPolarHBondContact O-CB 3.4Å; E133-P163 WeakPolarHBondContact O-CD 3.47Å; V135-P163 HydrophobicContact CG2-CG 3.97Å; Y161-P163 HydrophobicContact CD2-CB 4.42Å; Y161-P163 HydrophobicContact CD2-CG 4.11Å; Y161-P163 HydrophobicContact CE2-CB 4.01Å; Y161-P163 HydrophobicContact CE2-CG 3.7Å; P163-R166 WeakPolarHBondContact CB-O 3.46Å; P163-V167 HydrophobicContact CB-CG2 4.24Å; P163-V167 HydrophobicContact CG-CG2 4.2Å; P163-T205 PolarHBondContact O-OG1 3.13Å
164	N	90.8	Very high	94.7	Very high	95 Å²	95	39.4 Å²	39.4	51%	0.508	20%	0.204	S	C	.	.	S	Bend	trans	-117.2	72.6	166.5	-178.7	19	0	0	0	107.8	R166	N164-R166 PolarHBondContact O-N 3.2Å
165	K	86.6	Confident	94.5	Very high	128 Å²	128	41.8 Å²	41.8	56%	0.557	21%	0.211	S	C	*	.	S	Bend	trans	63.1	0.9	-175.8	-51.3	-177.8	175	-170.9	0	116.3	D128 E129	D128-K165 WeakPolarHBondContact CA-O 3.35Å; E129-K165 PolarHBondContact N-O 3.43Å; E129-K165 CarbonylContact O-C 3.06Å; E129-K165 VanDerWaalsContact O-C 3.26Å; E129-K165 WeakPolarHBondContact O-CA 3.39Å
166	R	87.1	Confident	94.4	Very high	71 Å²	71	41 Å²	41	27%	0.268	20%	0.202	S	C	.	.			trans	-123.3	121.1	179.9	-67.5	-169	-58.6	-172.8	-4.3	110.4	I126 F127 D128 P163 N164 L202 Q203	I126-R166 HydrophobicContact CG2-CB 3.91Å; I126-R166 HydrophobicContact CG2-CG 4.26Å; F127-R166 WeakPolarHBondContact O-CA 3.16Å; D128-R166 WeakPolarHBondContact OD1-CG 3.29Å; P163-R166 WeakPolarHBondContact CB-O 3.46Å; N164-R166 PolarHBondContact O-N 3.2Å; R166-L202 PolarHBondContact NE-O 3.13Å; R166-L202 PolarHBondContact NH2-O 3.26Å; R166-Q203 VanDerWaalsContact NH2-OE1 3.14Å
167	V	90.2	Very high	94.4	Very high	23 Å²	23	35.1 Å²	35.1	14%	0.139	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	138.9	-179.4	177.6	0	0	0	0	109.3	I126 F127 E129 H131 Y161 P163	I126-V167 WeakPolarHBondContact CA-O 3.44Å; F127-V167 PolarHBondContact N-O 3.02Å; F127-V167 PolarHBondContact O-N 2.83Å; E129-V167 HydrophobicContact CB-CB 4.36Å; E129-V167 HydrophobicContact CB-CG2 3.86Å; E129-V167 HydrophobicContact CG-CB 4.44Å; E129-V167 HydrophobicContact CG-CG2 4.43Å; H131-V167 HydrophobicContact CB-CG2 4.19Å; Y161-V167 WeakPolarHBondContact OH-CG1 3.18Å; P163-V167 HydrophobicContact CB-CG2 4.24Å; P163-V167 HydrophobicContact CG-CG2 4.2Å
168	L	90.1	Very high	94.3	Very high	1 Å²	1	38 Å²	38	1%	0.005	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	138.3	174.7	-168.8	62.9	0	0	0	110.7	L122 I126 Y161 L170 K172 L173 I176 L202	L122-L168 HydrophobicContact CD2-CD1 3.66Å; L122-L168 HydrophobicContact CD2-CD2 4.32Å; I126-L168 HydrophobicContact CG1-CD1 4.04Å; Y161-L168 PolarHBondContact OH-N 2.67Å; L168-L170 PolarHBondContact O-N 2.87Å; L168-K172 HydrophobicContact CD1-CB 3.94Å; L168-K172 HydrophobicContact CD1-CG 4.14Å; L168-K172 HydrophobicContact CD2-CB 3.77Å; L168-K172 HydrophobicContact CG-CB 3.77Å; L168-K172 HydrophobicContact CG-CG 4.3Å; L168-L173 HydrophobicContact CD2-CD2 3.76Å; L168-L173 HydrophobicContact CD2-CG 4.06Å; L168-I176 HydrophobicContact CD2-CD1 4.13Å; L168-L202 HydrophobicContact CB-CD1 3.6Å; L168-L202 HydrophobicContact CB-CD2 3.75Å; L168-L202 HydrophobicContact CB-CG 4.18Å; L168-L202 HydrophobicContact CD1-CD2 4.05Å; L168-L202 HydrophobicContact CD2-CD1 4.14Å; L168-L202 HydrophobicContact CG-CD1 4.4Å; L168-L202 HydrophobicContact CG-CD2 4.33Å
169	G	91.9	Very high	94.3	Very high	15 Å²	15	37.6 Å²	37.6	16%	0.155	19%	0.192	C	C	.	.			trans	-52.5	123.7	168.1	0	0	0	0	0	111.1	A125 S171 K172	A125-G169 PolarHBondContact O-N 2.84Å; G169-S171 PolarHBondContact O-N 2.94Å; G169-K172 VanDerWaalsContact O-CB 3.28Å; G169-K172 WeakPolarHBondContact O-CB 3.17Å; G169-K172 WeakPolarHBondContact O-CG 3.29Å; G169-K172 PolarHBondContact O-N 3.49Å
170	L	91.8	Very high	94.2	Very high	105 Å²	105	38.4 Å²	38.4	55%	0.55	20%	0.195	S	C	.	.	H	α-helix	trans	-53.4	-36.8	-168.8	-57.9	178	0	0	0	113.5	V135 V137 L168 K172 L173	V135-L170 HydrophobicContact CG1-CD2 4.18Å; V137-L170 HydrophobicContact CG2-CB 4.4Å; V137-L170 HydrophobicContact CG2-CD2 3.81Å; L168-L170 PolarHBondContact O-N 2.87Å; L170-K172 PolarHBondContact O-N 3.19Å; L170-L173 PolarHBondContact O-N 2.89Å
171	S	92.3	Very high	94.3	Very high	75 Å²	75	38.5 Å²	38.5	52%	0.524	20%	0.196	S	C	.	.	H	α-helix	trans	-63.3	-22.6	178.4	65.4	0	0	0	0	113.7	G169 R175	G169-S171 PolarHBondContact O-N 2.94Å; S171-R175 WeakPolarHBondContact O-CG 3.37Å; S171-R175 PolarHBondContact O-N 2.83Å
172	K	94.4	Very high	94.3	Very high	17 Å²	17	39.9 Å²	39.9	7%	0.074	20%	0.201	C	C	.	.	H	α-helix	trans	-74.7	-29.8	179.4	-54.2	-50.9	-166.7	161.7	0	112.4	V121 A125 L168 G169 L170 A174 R175 I176	V121-K172 WeakPolarHBondContact O-CD 3.33Å; V121-K172 VanDerWaalsContact O-CE 3.23Å; V121-K172 WeakPolarHBondContact O-CE 3.21Å; V121-K172 PolarHBondContact O-NZ 3.34Å; A125-K172 HydrophobicContact CB-CD 4.33Å; A125-K172 VanDerWaalsContact CB-CE 3.4Å; A125-K172 HydrophobicContact CB-CG 3.9Å; L168-K172 HydrophobicContact CD1-CB 3.94Å; L168-K172 HydrophobicContact CD1-CG 4.14Å; L168-K172 HydrophobicContact CD2-CB 3.77Å; L168-K172 HydrophobicContact CG-CB 3.77Å; L168-K172 HydrophobicContact CG-CG 4.3Å; G169-K172 VanDerWaalsContact O-CB 3.28Å; G169-K172 WeakPolarHBondContact O-CB 3.17Å; G169-K172 WeakPolarHBondContact O-CG 3.29Å; G169-K172 PolarHBondContact O-N 3.49Å; L170-K172 PolarHBondContact O-N 3.19Å; K172-A174 VanDerWaalsContact C-N 3.34Å; K172-A174 PolarHBondContact O-N 3.46Å; K172-R175 PolarHBondContact O-N 3.4Å; K172-I176 WeakPolarHBondContact O-CG1 3.24Å; K172-I176 PolarHBondContact O-N 3.47Å
173	L	95.9	Very high	94.3	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-61	-45.4	173	-68.8	175.5	0	0	0	110.8	V137 I159 Y161 L168 L170 R175 I176 V177 I198	V137-L173 HydrophobicContact CB-CD1 4.07Å; V137-L173 HydrophobicContact CG2-CD1 3.57Å; I159-L173 HydrophobicContact CD1-CB 4.09Å; I159-L173 HydrophobicContact CD1-CD2 4.48Å; I159-L173 HydrophobicContact CG2-CD1 4.3Å; I159-L173 HydrophobicContact CG2-CD2 4.15Å; Y161-L173 HydrophobicContact CD1-CD1 4.49Å; Y161-L173 HydrophobicContact CE1-CD1 4.11Å; L168-L173 HydrophobicContact CD2-CD2 3.76Å; L168-L173 HydrophobicContact CD2-CG 4.06Å; L170-L173 PolarHBondContact O-N 2.89Å; L173-R175 VanDerWaalsContact C-N 3.31Å; L173-R175 PolarHBondContact O-N 2.96Å; L173-I176 PolarHBondContact O-N 3.34Å; L173-V177 WeakPolarHBondContact O-CG2 3.46Å; L173-V177 PolarHBondContact O-N 2.72Å; L173-V177 VanDerWaalsContact O-N 3.09Å; L173-I198 HydrophobicContact CD2-CD1 3.82Å; L173-I198 HydrophobicContact CD2-CG1 3.85Å; L173-I198 HydrophobicContact CD2-CG2 4.35Å
174	A	96.1	Very high	94.5	Very high	37 Å²	37	43.2 Å²	43.2	31%	0.306	22%	0.215	S	C	.	.	H	α-helix	trans	-63	-36.3	174.2	0	0	0	0	0	112.6	I140 K172 V177 E178	I140-A174 HydrophobicContact CG2-CB 4.02Å; K172-A174 VanDerWaalsContact C-N 3.34Å; K172-A174 PolarHBondContact O-N 3.46Å; A174-V177 WeakPolarHBondContact O-CB 3.36Å; A174-V177 PolarHBondContact O-N 2.99Å; A174-E178 PolarHBondContact O-N 3.29Å
175	R	95.6	Very high	94.9	Very high	128 Å²	128	38.8 Å²	38.8	48%	0.483	19%	0.191	S	C	.	.	H	α-helix	trans	-67.9	-38.1	174.9	-69.4	-178.9	178.7	-164	-1	112.8	V121 S171 K172 L173 V177 E178 I179	V121-R175 HydrophobicContact CG1-CB 3.35Å; V121-R175 HydrophobicContact CG1-CG 4.28Å; S171-R175 WeakPolarHBondContact O-CG 3.37Å; S171-R175 PolarHBondContact O-N 2.83Å; K172-R175 PolarHBondContact O-N 3.4Å; L173-R175 VanDerWaalsContact C-N 3.31Å; L173-R175 PolarHBondContact O-N 2.96Å; R175-V177 VanDerWaalsContact C-N 3.27Å; R175-V177 PolarHBondContact O-N 3.36Å; R175-E178 PolarHBondContact O-N 2.91Å; R175-E178 VanDerWaalsContact O-N 3.17Å; R175-I179 WeakPolarHBondContact O-CG1 3.41Å; R175-I179 PolarHBondContact O-N 3.23Å
176	I	96.5	Very high	95.5	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-60.2	-41.2	172.7	-69.2	166.5	0	0	0	110.1	L122 L168 K172 L173 E178 I179 Y180 I194 A197 I198	L122-I176 HydrophobicContact CD2-CD1 4.46Å; L168-I176 HydrophobicContact CD2-CD1 4.13Å; K172-I176 WeakPolarHBondContact O-CG1 3.24Å; K172-I176 PolarHBondContact O-N 3.47Å; L173-I176 PolarHBondContact O-N 3.34Å; I176-E178 PolarHBondContact O-N 2.85Å; I176-I179 PolarHBondContact O-N 2.89Å; I176-Y180 HydrophobicContact CG2-CD2 4.21Å; I176-Y180 HydrophobicContact CG2-CE2 4.1Å; I176-Y180 WeakPolarHBondContact O-CD2 3.3Å; I176-Y180 PolarHBondContact O-N 2.72Å; I176-I194 HydrophobicContact CG2-CG2 4.3Å; I176-A197 HydrophobicContact CG2-CB 3.85Å; I176-I198 HydrophobicContact CD1-CG1 4.03Å; I176-I198 HydrophobicContact CG2-CG1 4.45Å
177	V	98.2	Very high	96	Very high	2 Å²	2	31 Å²	31	1%	0.012	16%	0.162	C	C	.	.	H	α-helix	trans	-57.6	-48.7	173.1	175.4	0	0	0	0	110.9	I140 M142 V157 I159 L173 A174 R175 I179 Y180 S181 I194	I140-V177 HydrophobicContact CD1-CG2 4.26Å; I140-V177 HydrophobicContact CG2-CB 4.34Å; I140-V177 HydrophobicContact CG2-CG1 4.35Å; I140-V177 HydrophobicContact CG2-CG2 4.27Å; M142-V177 HydrophobicContact CB-CG1 4.15Å; M142-V177 HydrophobicContact CG-CG1 3.97Å; V157-V177 HydrophobicContact CB-CG1 4.42Å; V157-V177 HydrophobicContact CB-CG2 4.17Å; V157-V177 HydrophobicContact CG1-CG2 4Å; V157-V177 HydrophobicContact CG2-CG1 3.82Å; V157-V177 HydrophobicContact CG2-CG2 4.35Å; I159-V177 HydrophobicContact CD1-CG2 3.81Å; L173-V177 WeakPolarHBondContact O-CG2 3.46Å; L173-V177 PolarHBondContact O-N 2.72Å; L173-V177 VanDerWaalsContact O-N 3.09Å; A174-V177 WeakPolarHBondContact O-CB 3.36Å; A174-V177 PolarHBondContact O-N 2.99Å; R175-V177 VanDerWaalsContact C-N 3.27Å; R175-V177 PolarHBondContact O-N 3.36Å; V177-I179 PolarHBondContact O-N 3.41Å; V177-Y180 PolarHBondContact O-N 3.38Å; V177-S181 VanDerWaalsContact O-CB 3.24Å; V177-S181 WeakPolarHBondContact O-CB 3.48Å; V177-S181 PolarHBondContact O-N 2.75Å; V177-S181 PolarHBondContact O-OG 3.29Å; V177-I194 HydrophobicContact CG1-CD1 4.41Å; V177-I194 HydrophobicContact CG2-CD1 4.14Å; V177-I194 HydrophobicContact CG2-CG2 4.31Å
178	E	97.5	Very high	96.4	Very high	61 Å²	61	35.3 Å²	35.3	29%	0.285	18%	0.18	S	C	.	.	H	α-helix	trans	-59.8	-42.1	178.8	-89.7	-118.2	132.3	0	0	113.5	K112 A174 R175 I176 Y180 S181 R182	K112-E178 VanDerWaalsContact CE-OE2 3.31Å; K112-E178 WeakPolarHBondContact CE-OE2 3.22Å; K112-E178 IonicContact NZ-OE2 2.87Å; K112-E178 PolarHBondContact NZ-OE2 3.32Å; A174-E178 PolarHBondContact O-N 3.29Å; R175-E178 PolarHBondContact O-N 2.91Å; R175-E178 VanDerWaalsContact O-N 3.17Å; I176-E178 PolarHBondContact O-N 2.85Å; E178-Y180 PolarHBondContact O-N 3.33Å; E178-S181 PolarHBondContact O-N 3.19Å; E178-R182 VanDerWaalsContact O-CB 3.26Å; E178-R182 WeakPolarHBondContact O-CB 3.45Å; E178-R182 WeakPolarHBondContact O-CG 3.23Å; E178-R182 PolarHBondContact O-N 3.43Å; E178-R182 IonicContact OE1-CZ 3.6Å; E178-R182 IonicContact OE1-NE 3.37Å; E178-R182 PolarHBondContact OE1-NE 2.91Å; E178-R182 IonicContact OE1-NH2 3.76Å; E178-R182 PolarHBondContact OE1-NH2 3.18Å
179	I	97.1	Very high	96.8	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.005	20%	0.2	C	C	.	.	H	α-helix	trans	-54.5	-42.5	179.4	-69.2	162.2	0	0	0	111.1	G113 E116 I118 V121 R175 I176 V177 R183	G113-I179 CarbonylContact C-O 3.56Å; G113-I179 WeakPolarHBondContact CA-O 3.4Å; E116-I179 HydrophobicContact CB-CG1 3.9Å; E116-I179 HydrophobicContact CB-CG2 4.45Å; E116-I179 VanDerWaalsContact OE2-CG1 3.28Å; E116-I179 WeakPolarHBondContact OE2-CG1 3.29Å; I118-I179 HydrophobicContact CG1-CD1 3.56Å; V121-I179 HydrophobicContact CB-CD1 3.91Å; V121-I179 HydrophobicContact CG1-CD1 4.18Å; V121-I179 HydrophobicContact CG2-CD1 3.5Å; V121-I179 VanDerWaalsContact CG2-CD1 3.5Å; V121-I179 HydrophobicContact CG2-CG1 4.1Å; R175-I179 WeakPolarHBondContact O-CG1 3.41Å; R175-I179 PolarHBondContact O-N 3.23Å; I176-I179 PolarHBondContact O-N 2.89Å; V177-I179 PolarHBondContact O-N 3.41Å; I179-R183 PolarHBondContact O-NE 2.91Å
180	Y	98.3	Very high	97.2	Very high	18 Å²	18	39.8 Å²	39.8	7%	0.071	19%	0.193	C	C	.	.	H	α-helix	trans	-90.8	-32.7	-177.8	-66	-65.7	0	0	0	113.4	W58 I118 I176 V177 E178 R183 Q185 L190 Q193 I194 A197	W58-Y180 WeakPolarHBondContact CH2-OH 3.35Å; I118-Y180 HydrophobicContact CD1-CE2 3.69Å; I118-Y180 VanDerWaalsContact CD1-OH 3.22Å; I118-Y180 WeakPolarHBondContact CD1-OH 3.43Å; I176-Y180 HydrophobicContact CG2-CD2 4.21Å; I176-Y180 HydrophobicContact CG2-CE2 4.1Å; I176-Y180 WeakPolarHBondContact O-CD2 3.3Å; I176-Y180 PolarHBondContact O-N 2.72Å; V177-Y180 PolarHBondContact O-N 3.38Å; E178-Y180 PolarHBondContact O-N 3.33Å; Y180-R183 WeakPolarHBondContact O-CB 3.19Å; Y180-Q185 WeakPolarHBondContact O-CG 3.32Å; Y180-Q185 PolarHBondContact O-NE2 3.49Å; Y180-L190 VanDerWaalsContact C-CD1 3.5Å; Y180-L190 VanDerWaalsContact CB-CD1 3.48Å; Y180-Q193 HydrophobicContact CD1-CB 3.62Å; Y180-Q193 HydrophobicContact CD1-CG 4.11Å; Y180-Q193 HydrophobicContact CD2-CB 4.09Å; Y180-Q193 HydrophobicContact CE1-CB 3.71Å; Y180-Q193 HydrophobicContact CE1-CG 4.07Å; Y180-Q193 HydrophobicContact CE2-CB 4.15Å; Y180-Q193 HydrophobicContact CG-CB 3.8Å; Y180-I194 HydrophobicContact CD2-CG1 4.03Å; Y180-A197 HydrophobicContact CE2-CB 3.59Å
181	S	98.6	Very high	97.5	Very high	2 Å²	2	34.8 Å²	34.8	1%	0.014	17%	0.167	C	C	.	.	H	α-helix	trans	-73.3	-32.1	-178.7	84.8	0	0	0	0	111.4	F143 S144 V177 E178 R183	F143-S181 CarbonylContact O-C 3.58Å; F143-S181 VanDerWaalsContact O-CB 3.29Å; F143-S181 WeakPolarHBondContact O-CB 3.29Å; F143-S181 PolarHBondContact O-OG 3.49Å; S144-S181 WeakPolarHBondContact CA-O 3.2Å; S144-S181 WeakPolarHBondContact CB-O 3.47Å; S144-S181 PolarHBondContact OG-O 2.94Å; V177-S181 VanDerWaalsContact O-CB 3.24Å; V177-S181 WeakPolarHBondContact O-CB 3.48Å; V177-S181 PolarHBondContact O-N 2.75Å; V177-S181 PolarHBondContact O-OG 3.29Å; E178-S181 PolarHBondContact O-N 3.19Å; S181-R183 PolarHBondContact O-N 3.38Å
182	R	98.6	Very high	97.8	Very high	29 Å²	29	37.5 Å²	37.5	11%	0.109	17%	0.169	C	C	.	.	S	Bend	trans	-79.4	50.2	175.9	-58.4	-65.6	-175.9	-172.4	-0.9	112.3	F110 T111 K112 G113 E178	F110-R182 CarbonylContact O-C 3.59Å; F110-R182 WeakPolarHBondContact O-CA 3.22Å; T111-R182 CarbonylContact C-O 3.52Å; T111-R182 WeakPolarHBondContact CA-O 3.09Å; K112-R182 HydrophobicContact CG-CB 3.88Å; K112-R182 HydrophobicContact CG-CG 4.09Å; K112-R182 PolarHBondContact N-O 3.27Å; G113-R182 WeakPolarHBondContact CA-O 3.25Å; G113-R182 PolarHBondContact N-O 3.49Å; E178-R182 VanDerWaalsContact O-CB 3.26Å; E178-R182 WeakPolarHBondContact O-CB 3.45Å; E178-R182 WeakPolarHBondContact O-CG 3.23Å; E178-R182 PolarHBondContact O-N 3.43Å; E178-R182 IonicContact OE1-CZ 3.6Å; E178-R182 IonicContact OE1-NE 3.37Å; E178-R182 PolarHBondContact OE1-NE 2.91Å; E178-R182 IonicContact OE1-NH2 3.76Å; E178-R182 PolarHBondContact OE1-NH2 3.18Å
183	R	98.6	Very high	98	Very high	47 Å²	47	39 Å²	39	18%	0.177	18%	0.177	C	C	.	.	S	Bend	trans	-141.7	168.8	178.9	-62.6	-176.5	-173.9	-158.5	-5.2	109	F110 G113 Y114 I179 Y180 S181 Q185	F110-R183 PolarHBondContact O-N 3.14Å; G113-R183 PolarHBondContact O-NE 3.12Å; G113-R183 PolarHBondContact O-NH2 3.47Å; Y114-R183 HydrophobicContact CD1-CG 4Å; Y114-R183 HydrophobicContact CD2-CG 4.33Å; Y114-R183 HydrophobicContact CE1-CB 3.99Å; Y114-R183 HydrophobicContact CE1-CG 3.8Å; Y114-R183 HydrophobicContact CE2-CB 3.98Å; Y114-R183 HydrophobicContact CE2-CG 4.13Å; Y114-R183 HydrophobicContact CG-CG 4.25Å; I179-R183 PolarHBondContact O-NE 2.91Å; Y180-R183 WeakPolarHBondContact O-CB 3.19Å; S181-R183 PolarHBondContact O-N 3.38Å; R183-Q185 HydrophobicContact CB-CG 4.07Å
184	L	98.7	Very high	98.1	Very high	52 Å²	52	39 Å²	39	27%	0.272	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	126.9	161.5	-55.7	-174.6	0	0	0	107.9	T111 Y114 M145 E147 L150	T111-L184 HydrophobicContact CG2-CD2 4.11Å; T111-L184 HydrophobicContact CG2-CG 4.37Å; Y114-L184 PolarHBondContact OH-N 2.68Å; Y114-L184 PolarHBondContact OH-O 3.11Å; M145-L184 HydrophobicContact CB-CD2 3.88Å; M145-L184 HydrophobicContact CG-CD2 3.74Å; E147-L184 HydrophobicContact CB-CB 3.81Å; L150-L184 HydrophobicContact CD2-CD1 3.83Å; L150-L184 HydrophobicContact CD2-CD2 3.67Å; L150-L184 HydrophobicContact CD2-CG 4.39Å
185	Q	98.6	Very high	98.2	Very high	3 Å²	3	37.3 Å²	37.3	1%	0.014	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	160.6	-165.2	-78.9	-69.5	11.7	0	0	115	S144 M145 E147 Y180 R183 L190	S144-Q185 WeakPolarHBondContact OG-CB 3.17Å; M145-Q185 PolarHBondContact O-N 3.36Å; E147-Q185 PolarHBondContact N-O 3.21Å; Y180-Q185 WeakPolarHBondContact O-CG 3.32Å; Y180-Q185 PolarHBondContact O-NE2 3.49Å; R183-Q185 HydrophobicContact CB-CG 4.07Å; Q185-L190 HydrophobicContact CG-CB 4.38Å
186	V	98.6	Very high	98.3	Very high	30 Å²	30	33.3 Å²	33.3	18%	0.182	15%	0.152	C	C	.	.			trans	-115.4	136.3	158.4	171.5	0	0	0	0	107.2	E147 E188 R189 L190	E147-V186 HydrophobicContact CG-CG2 3.92Å; E147-V186 VanDerWaalsContact OE1-CG2 3.3Å; E147-V186 WeakPolarHBondContact OE1-CG2 3.28Å; V186-E188 VanDerWaalsContact C-N 3.29Å; V186-E188 HydrophobicContact CG1-CB 4.3Å; V186-E188 WeakPolarHBondContact CG1-OE2 3.26Å; V186-E188 PolarHBondContact O-N 2.94Å; V186-R189 HydrophobicContact CB-CB 4.36Å; V186-R189 WeakPolarHBondContact O-CB 3.18Å; V186-R189 PolarHBondContact O-N 3.1Å; V186-L190 PolarHBondContact O-N 2.95Å
187	Q	98.8	Very high	98.3	Very high	4 Å²	4	33.3 Å²	33.3	2%	0.019	15%	0.152	C	C	.	.	H	α-helix	trans	-62.3	-37.5	-169	-170.2	-178.1	-42.6	0	0	112.3	R189 L190 T191 V211 H215 T230 T232	Q187-R189 VanDerWaalsContact C-N 3.33Å; Q187-R189 PolarHBondContact O-N 2.88Å; Q187-L190 PolarHBondContact O-N 3.06Å; Q187-T191 WeakPolarHBondContact O-CB 3.14Å; Q187-T191 PolarHBondContact O-N 3.22Å; Q187-T191 PolarHBondContact O-OG1 2.83Å; Q187-V211 HydrophobicContact CG-CB 4.44Å; Q187-V211 HydrophobicContact CG-CG1 3.99Å; Q187-V211 PolarHBondContact NE2-O 3.12Å; Q187-V211 VanDerWaalsContact NE2-O 3.07Å; Q187-H215 PolarHBondContact OE1-NE2 3.18Å; Q187-T230 PolarHBondContact NE2-O 2.96Å; Q187-T232 HydrophobicContact CB-CG2 4.4Å; Q187-T232 HydrophobicContact CG-CG2 4.09Å; Q187-T232 WeakPolarHBondContact CG-OG1 3.48Å; Q187-T232 PolarHBondContact NE2-OG1 3.23Å
188	E	98.8	Very high	98.2	Very high	114 Å²	114	33.2 Å²	33.2	53%	0.533	15%	0.151	S	C	.	.	H	α-helix	trans	-59.2	-44.9	175.3	-62.6	89.4	144.6	0	0	110.9	V186 K192 T232	V186-E188 VanDerWaalsContact C-N 3.29Å; V186-E188 HydrophobicContact CG1-CB 4.3Å; V186-E188 WeakPolarHBondContact CG1-OE2 3.26Å; V186-E188 PolarHBondContact O-N 2.94Å; E188-K192 PolarHBondContact O-N 3.28Å; E188-K192 VanDerWaalsContact O-N 3.12Å; E188-T232 HydrophobicContact CG-CG2 3.98Å
189	R	98.8	Very high	98	Very high	108 Å²	108	32.4 Å²	32.4	41%	0.408	15%	0.151	S	C	.	.	H	α-helix	trans	-67.3	-47.2	178.5	-166.7	-173	-54.8	133.6	4.2	111	E147 V186 Q187 T191 K192 Q193	E147-R189 IonicContact OE1-CZ 3.25Å; E147-R189 IonicContact OE1-NH1 2.91Å; E147-R189 PolarHBondContact OE1-NH1 3.17Å; E147-R189 IonicContact OE1-NH2 2.7Å; E147-R189 PolarHBondContact OE1-NH2 3.06Å; E147-R189 IonicContact OE2-CZ 3.89Å; E147-R189 IonicContact OE2-NH1 2.96Å; E147-R189 PolarHBondContact OE2-NH1 3.44Å; E147-R189 IonicContact OE2-NH2 2.74Å; V186-R189 HydrophobicContact CB-CB 4.36Å; V186-R189 WeakPolarHBondContact O-CB 3.18Å; V186-R189 PolarHBondContact O-N 3.1Å; Q187-R189 VanDerWaalsContact C-N 3.33Å; Q187-R189 PolarHBondContact O-N 2.88Å; R189-T191 VanDerWaalsContact C-N 3.31Å; R189-T191 PolarHBondContact O-N 2.9Å; R189-K192 PolarHBondContact O-N 3.02Å; R189-Q193 HydrophobicContact CG-CG 4.38Å; R189-Q193 WeakPolarHBondContact O-CB 3.2Å; R189-Q193 WeakPolarHBondContact O-CG 3.31Å; R189-Q193 PolarHBondContact O-N 3.42Å
190	L	98.7	Very high	97.8	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.01	17%	0.169	C	C	.	.	H	α-helix	trans	-53.1	-49.9	175.4	172.8	60.5	0	0	0	111.2	M142 Y180 Q185 V186 Q187 K192 Q193 I194	M142-L190 HydrophobicContact CE-CD2 3.94Å; M142-L190 HydrophobicContact CG-CD2 4.37Å; M142-L190 HydrophobicContact SD-CD2 3.88Å; Y180-L190 VanDerWaalsContact C-CD1 3.5Å; Y180-L190 VanDerWaalsContact CB-CD1 3.48Å; Q185-L190 HydrophobicContact CG-CB 4.38Å; V186-L190 PolarHBondContact O-N 2.95Å; Q187-L190 PolarHBondContact O-N 3.06Å; L190-K192 VanDerWaalsContact C-N 3.34Å; L190-K192 PolarHBondContact O-N 3.34Å; L190-Q193 PolarHBondContact O-N 3.17Å; L190-I194 HydrophobicContact CD1-CD1 3.75Å; L190-I194 HydrophobicContact CD1-CG1 4.26Å; L190-I194 HydrophobicContact CG-CD1 4Å; L190-I194 WeakPolarHBondContact O-CG1 3.28Å; L190-I194 PolarHBondContact O-N 2.93Å; L190-I194 VanDerWaalsContact O-N 3.1Å
191	T	98.9	Very high	97.3	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.006	17%	0.172	C	C	.	.	H	α-helix	trans	-59.6	-45	-179.4	-52.4	0	0	0	0	111.5	Q187 R189 A195 V209 V211 T232	Q187-T191 WeakPolarHBondContact O-CB 3.14Å; Q187-T191 PolarHBondContact O-N 3.22Å; Q187-T191 PolarHBondContact O-OG1 2.83Å; R189-T191 VanDerWaalsContact C-N 3.31Å; R189-T191 PolarHBondContact O-N 2.9Å; T191-A195 PolarHBondContact O-N 3.48Å; T191-V209 HydrophobicContact CG2-CB 4.36Å; T191-V209 HydrophobicContact CG2-CG1 4.08Å; T191-V211 HydrophobicContact CG2-CG2 4.02Å; T191-V211 VanDerWaalsContact OG1-CG2 3.32Å; T191-V211 WeakPolarHBondContact OG1-CG2 3.41Å; T191-T232 PolarHBondContact OG1-OG1 3.41Å
192	K	98.8	Very high	96.9	Very high	131 Å²	131	36.2 Å²	36.2	57%	0.57	17%	0.172	S	C	*	.	H	α-helix	trans	-66.8	-43.2	179	-174.9	177.5	178.7	-177.5	0	112.1	E188 R189 L190 I194 A195 V196 T234	E188-K192 PolarHBondContact O-N 3.28Å; E188-K192 VanDerWaalsContact O-N 3.12Å; R189-K192 PolarHBondContact O-N 3.02Å; L190-K192 VanDerWaalsContact C-N 3.34Å; L190-K192 PolarHBondContact O-N 3.34Å; K192-I194 PolarHBondContact O-N 2.78Å; K192-A195 PolarHBondContact O-N 3.33Å; K192-V196 HydrophobicContact CG-CG2 4.22Å; K192-V196 WeakPolarHBondContact O-CB 3.45Å; K192-V196 VanDerWaalsContact O-CG2 3.31Å; K192-V196 WeakPolarHBondContact O-CG2 3.46Å; K192-V196 PolarHBondContact O-N 3.19Å; K192-T234 WeakPolarHBondContact CA-OG1 3.32Å; K192-T234 HydrophobicContact CG-CG2 4.5Å; K192-T234 PolarHBondContact N-OG1 2.93Å
193	Q	98.5	Very high	96.6	Very high	50 Å²	50	39.3 Å²	39.3	23%	0.234	19%	0.188	C	C	.	.	H	α-helix	trans	-60.8	-43.1	-179.8	-78.3	177.8	-39.8	0	0	112.1	Y180 R189 L190 V196 A197	Y180-Q193 HydrophobicContact CD1-CB 3.62Å; Y180-Q193 HydrophobicContact CD1-CG 4.11Å; Y180-Q193 HydrophobicContact CD2-CB 4.09Å; Y180-Q193 HydrophobicContact CE1-CB 3.71Å; Y180-Q193 HydrophobicContact CE1-CG 4.07Å; Y180-Q193 HydrophobicContact CE2-CB 4.15Å; Y180-Q193 HydrophobicContact CG-CB 3.8Å; R189-Q193 HydrophobicContact CG-CG 4.38Å; R189-Q193 WeakPolarHBondContact O-CB 3.2Å; R189-Q193 WeakPolarHBondContact O-CG 3.31Å; R189-Q193 PolarHBondContact O-N 3.42Å; L190-Q193 PolarHBondContact O-N 3.17Å; Q193-V196 PolarHBondContact O-N 2.95Å; Q193-A197 VanDerWaalsContact O-CB 3.29Å; Q193-A197 WeakPolarHBondContact O-CB 3.34Å; Q193-A197 PolarHBondContact O-N 3.37Å
194	I	98.4	Very high	96.5	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-60.6	-48.7	176.2	-65.3	161.2	0	0	0	110.6	V157 I159 I176 V177 Y180 L190 K192 V196 A197 I198 V209	V157-I194 HydrophobicContact CG1-CD1 4.4Å; I159-I194 HydrophobicContact CD1-CG2 3.98Å; I159-I194 HydrophobicContact CG1-CG2 4.47Å; I176-I194 HydrophobicContact CG2-CG2 4.3Å; V177-I194 HydrophobicContact CG1-CD1 4.41Å; V177-I194 HydrophobicContact CG2-CD1 4.14Å; V177-I194 HydrophobicContact CG2-CG2 4.31Å; Y180-I194 HydrophobicContact CD2-CG1 4.03Å; L190-I194 HydrophobicContact CD1-CD1 3.75Å; L190-I194 HydrophobicContact CD1-CG1 4.26Å; L190-I194 HydrophobicContact CG-CD1 4Å; L190-I194 WeakPolarHBondContact O-CG1 3.28Å; L190-I194 PolarHBondContact O-N 2.93Å; L190-I194 VanDerWaalsContact O-N 3.1Å; K192-I194 PolarHBondContact O-N 2.78Å; I194-V196 PolarHBondContact O-N 3.46Å; I194-A197 PolarHBondContact O-N 3.16Å; I194-I198 HydrophobicContact CG2-CD1 3.88Å; I194-I198 WeakPolarHBondContact O-CD1 3.21Å; I194-I198 VanDerWaalsContact O-CG1 3.29Å; I194-I198 WeakPolarHBondContact O-CG1 3.31Å; I194-I198 PolarHBondContact O-N 2.99Å; I194-I198 VanDerWaalsContact O-N 3.16Å; I194-V209 HydrophobicContact CB-CG1 4.34Å; I194-V209 HydrophobicContact CG2-CG1 4.08Å; I194-V209 HydrophobicContact CG2-CG2 4.03Å
195	A	98.4	Very high	96.4	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-61.1	-46.8	-179.3	0	0	0	0	0	112.1	T191 K192 I198 T199 V207 V209 T234 L236	T191-A195 PolarHBondContact O-N 3.48Å; K192-A195 PolarHBondContact O-N 3.33Å; A195-I198 PolarHBondContact O-N 3.46Å; A195-T199 PolarHBondContact O-N 2.96Å; A195-T199 PolarHBondContact O-OG1 3.3Å; A195-T199 VanDerWaalsContact O-OG1 3.14Å; A195-V207 HydrophobicContact CB-CG1 4.42Å; A195-V209 HydrophobicContact CB-CB 4.23Å; A195-V209 HydrophobicContact CB-CG2 3.65Å; A195-T234 HydrophobicContact CB-CG2 3.61Å; A195-L236 HydrophobicContact CB-CD1 3.89Å; A195-L236 HydrophobicContact CB-CG 4.45Å
196	V	97.8	Very high	96.4	Very high	44 Å²	44	38.9 Å²	38.9	27%	0.267	19%	0.193	S	C	.	.	H	α-helix	trans	-62.7	-44.5	179.5	169.9	0	0	0	0	111.2	K192 Q193 I194 I198 T199 E200 L236	K192-V196 HydrophobicContact CG-CG2 4.22Å; K192-V196 WeakPolarHBondContact O-CB 3.45Å; K192-V196 VanDerWaalsContact O-CG2 3.31Å; K192-V196 WeakPolarHBondContact O-CG2 3.46Å; K192-V196 PolarHBondContact O-N 3.19Å; Q193-V196 PolarHBondContact O-N 2.95Å; I194-V196 PolarHBondContact O-N 3.46Å; V196-I198 VanDerWaalsContact C-N 3.32Å; V196-I198 PolarHBondContact O-N 3.09Å; V196-T199 WeakPolarHBondContact O-CB 3.26Å; V196-T199 PolarHBondContact O-N 2.89Å; V196-T199 VanDerWaalsContact O-N 3.15Å; V196-E200 HydrophobicContact CG1-CG 4.29Å; V196-E200 WeakPolarHBondContact CG1-OE1 3.34Å; V196-E200 WeakPolarHBondContact O-CG 3.35Å; V196-E200 PolarHBondContact O-N 3.12Å; V196-L236 HydrophobicContact CG2-CD1 4.29Å
197	A	95.7	Very high	96.4	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-58.5	-42.3	177.5	0	0	0	0	0	113.3	I118 I176 Y180 Q193 I194 E200 A201	I118-A197 HydrophobicContact CD1-CB 3.33Å; I176-A197 HydrophobicContact CG2-CB 3.85Å; Y180-A197 HydrophobicContact CE2-CB 3.59Å; Q193-A197 VanDerWaalsContact O-CB 3.29Å; Q193-A197 WeakPolarHBondContact O-CB 3.34Å; Q193-A197 PolarHBondContact O-N 3.37Å; I194-A197 PolarHBondContact O-N 3.16Å; A197-E200 PolarHBondContact O-N 3.43Å; A197-A201 WeakPolarHBondContact O-CB 3.42Å; A197-A201 PolarHBondContact O-N 3.32Å
198	I	95.2	Very high	96.4	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-65.8	-43.2	177.1	-63.9	161.2	0	0	0	110	I159 L173 I176 I194 A195 V196 E200 A201 L202 V207 V209	I159-I198 HydrophobicContact CD1-CD1 4.06Å; I159-I198 HydrophobicContact CG1-CD1 4.46Å; I159-I198 HydrophobicContact CG2-CD1 3.58Å; L173-I198 HydrophobicContact CD2-CD1 3.82Å; L173-I198 HydrophobicContact CD2-CG1 3.85Å; L173-I198 HydrophobicContact CD2-CG2 4.35Å; I176-I198 HydrophobicContact CD1-CG1 4.03Å; I176-I198 HydrophobicContact CG2-CG1 4.45Å; I194-I198 HydrophobicContact CG2-CD1 3.88Å; I194-I198 WeakPolarHBondContact O-CD1 3.21Å; I194-I198 VanDerWaalsContact O-CG1 3.29Å; I194-I198 WeakPolarHBondContact O-CG1 3.31Å; I194-I198 PolarHBondContact O-N 2.99Å; I194-I198 VanDerWaalsContact O-N 3.16Å; A195-I198 PolarHBondContact O-N 3.46Å; V196-I198 VanDerWaalsContact C-N 3.32Å; V196-I198 PolarHBondContact O-N 3.09Å; I198-E200 PolarHBondContact O-N 3.38Å; I198-A201 PolarHBondContact O-N 2.98Å; I198-L202 HydrophobicContact CG2-CD1 3.99Å; I198-L202 PolarHBondContact O-N 3.28Å; I198-V207 HydrophobicContact CB-CG1 4.23Å; I198-V207 HydrophobicContact CB-CG2 4.32Å; I198-V207 HydrophobicContact CD1-CG1 4.22Å; I198-V207 HydrophobicContact CG2-CG1 4.12Å; I198-V207 HydrophobicContact CG2-CG2 3.8Å; I198-V209 HydrophobicContact CD1-CG2 4.35Å
199	T	95.1	Very high	96.4	Very high	45 Å²	45	31.8 Å²	31.8	28%	0.276	16%	0.158	S	C	.	.	H	α-helix	trans	-60.1	-45.2	176.5	-61.8	0	0	0	0	111.9	A195 V196 Q203 V207 L236	A195-T199 PolarHBondContact O-N 2.96Å; A195-T199 PolarHBondContact O-OG1 3.3Å; A195-T199 VanDerWaalsContact O-OG1 3.14Å; V196-T199 WeakPolarHBondContact O-CB 3.26Å; V196-T199 PolarHBondContact O-N 2.89Å; V196-T199 VanDerWaalsContact O-N 3.15Å; T199-Q203 WeakPolarHBondContact O-CA 3.45Å; T199-Q203 PolarHBondContact O-N 2.92Å; T199-V207 WeakPolarHBondContact OG1-CG2 3.22Å; T199-L236 WeakPolarHBondContact OG1-CD1 3.45Å
200	E	91.3	Very high	96.4	Very high	81 Å²	81	27.2 Å²	27.2	38%	0.379	14%	0.142	S	C	.	.	H	α-helix	trans	-68.1	-38.5	179.2	-71.3	-177.9	-157.4	0	0	112.4	V54 W58 V196 A197 I198	V54-E200 HydrophobicContact CG1-CG 4.47Å; W58-E200 VanDerWaalsContact CE2-OE2 3.29Å; W58-E200 WeakPolarHBondContact CZ2-OE2 3.48Å; W58-E200 PolarHBondContact NE1-OE2 3.33Å; V196-E200 HydrophobicContact CG1-CG 4.29Å; V196-E200 WeakPolarHBondContact CG1-OE1 3.34Å; V196-E200 WeakPolarHBondContact O-CG 3.35Å; V196-E200 PolarHBondContact O-N 3.12Å; A197-E200 PolarHBondContact O-N 3.43Å; I198-E200 PolarHBondContact O-N 3.38Å
201	A	88.6	Confident	96.4	Very high	17 Å²	17	27.1 Å²	27.1	14%	0.14	14%	0.141	C	C	.	.	H	α-helix	trans	-69.1	-42.5	-179.6	0	0	0	0	0	113.3	L122 A197 I198	L122-A201 HydrophobicContact CD1-CB 3.56Å; L122-A201 HydrophobicContact CD2-CB 3.86Å; L122-A201 HydrophobicContact CG-CB 4.35Å; A197-A201 WeakPolarHBondContact O-CB 3.42Å; A197-A201 PolarHBondContact O-N 3.32Å; I198-A201 PolarHBondContact O-N 2.98Å
202	L	89.8	Confident	96.4	Very high	2 Å²	2	30.2 Å²	30.2	1%	0.01	16%	0.156	C	C	.	.	H	α-helix	trans	-109	-21.7	-169.8	-63.6	173.5	0	0	0	114.2	I126 Y161 R166 L168 I198 P204	I126-L202 HydrophobicContact CD1-CD2 4.12Å; I126-L202 HydrophobicContact CG1-CD2 4.01Å; I126-L202 HydrophobicContact CG2-CD2 4.27Å; Y161-L202 HydrophobicContact CD2-CD1 4.14Å; Y161-L202 HydrophobicContact CE2-CD1 3.83Å; R166-L202 PolarHBondContact NE-O 3.13Å; R166-L202 PolarHBondContact NH2-O 3.26Å; L168-L202 HydrophobicContact CB-CD1 3.6Å; L168-L202 HydrophobicContact CB-CD2 3.75Å; L168-L202 HydrophobicContact CB-CG 4.18Å; L168-L202 HydrophobicContact CD1-CD2 4.05Å; L168-L202 HydrophobicContact CD2-CD1 4.14Å; L168-L202 HydrophobicContact CG-CD1 4.4Å; L168-L202 HydrophobicContact CG-CD2 4.33Å; I198-L202 HydrophobicContact CG2-CD1 3.99Å; I198-L202 PolarHBondContact O-N 3.28Å; L202-P204 VanDerWaalsContact C-N 3.3Å; L202-P204 HydrophobicContact CB-CG 4.43Å
203	Q	92.8	Very high	96.4	Very high	95 Å²	95	24 Å²	24	44%	0.444	13%	0.129	S	C	.	.			trans	45.2	53.5	-166.7	-54.5	167.9	-14.2	0	0	111.7	R166 T199	R166-Q203 VanDerWaalsContact NH2-OE1 3.14Å; T199-Q203 WeakPolarHBondContact O-CA 3.45Å; T199-Q203 PolarHBondContact O-N 2.92Å
204	P	95.8	Very high	96.4	Very high	17 Å²	17	22.9 Å²	22.9	11%	0.11	13%	0.126	C	C	.	.			trans	-72.2	165.1	178.7	35.8	-33.3	0	0	0	109.7	Y161 L162 L202 G206 V207	Y161-P204 HydrophobicContact CD2-CB 4.06Å; L162-P204 WeakPolarHBondContact O-CB 3.47Å; L202-P204 VanDerWaalsContact C-N 3.3Å; L202-P204 HydrophobicContact CB-CG 4.43Å; P204-G206 PolarHBondContact O-N 3.21Å; P204-V207 HydrophobicContact CB-CG2 4.49Å; P204-V207 HydrophobicContact CG-CG2 3.36Å
205	T	97.2	Very high	96.4	Very high	73 Å²	73	24 Å²	24	45%	0.448	13%	0.131	S	C	.	.	S	Bend	trans	-64.5	-26.5	175.4	-26.9	0	0	0	0	111.3	L162 P163 G237 V238	L162-T205 PolarHBondContact O-N 2.98Å; L162-T205 PolarHBondContact O-OG1 2.7Å; P163-T205 PolarHBondContact O-OG1 3.13Å; T205-G237 WeakPolarHBondContact O-CA 3.47Å; T205-V238 HydrophobicContact CG2-CG1 3.85Å; T205-V238 PolarHBondContact O-N 3.23Å; T205-V238 VanDerWaalsContact O-N 3.08Å
206	G	98	Very high	96.4	Very high	2 Å²	2	26.3 Å²	26.3	2%	0.021	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173.1	166	168.8	0	0	0	0	0	113.5	Y161 L162 P204 L236	Y161-G206 VanDerWaalsContact CA-O 3.29Å; Y161-G206 WeakPolarHBondContact CA-O 3.09Å; Y161-G206 WeakPolarHBondContact CB-O 3.15Å; L162-G206 PolarHBondContact N-O 2.99Å; P204-G206 PolarHBondContact O-N 3.21Å; G206-L236 CarbonylContact C-O 3.49Å; G206-L236 WeakPolarHBondContact CA-O 3.48Å
207	V	98.7	Very high	96.4	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	136.5	-179.4	-176.7	0	0	0	0	109.4	G160 A195 I198 T199 P204 V209 M235 L236	G160-V207 CarbonylContact O-C 3.57Å; G160-V207 WeakPolarHBondContact O-CA 3.4Å; A195-V207 HydrophobicContact CB-CG1 4.42Å; I198-V207 HydrophobicContact CB-CG1 4.23Å; I198-V207 HydrophobicContact CB-CG2 4.32Å; I198-V207 HydrophobicContact CD1-CG1 4.22Å; I198-V207 HydrophobicContact CG2-CG1 4.12Å; I198-V207 HydrophobicContact CG2-CG2 3.8Å; T199-V207 WeakPolarHBondContact OG1-CG2 3.22Å; P204-V207 HydrophobicContact CB-CG2 4.49Å; P204-V207 HydrophobicContact CG-CG2 3.36Å; V207-V209 HydrophobicContact CG1-CG2 4.02Å; V207-M235 WeakPolarHBondContact O-CA 3.33Å; V207-L236 PolarHBondContact N-O 3.35Å; V207-L236 PolarHBondContact O-N 2.93Å
208	G	98.8	Very high	96.5	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	129.9	167.2	0	0	0	0	0	110.9	I159 G160 M235	I159-G208 WeakPolarHBondContact CA-O 3.34Å; G160-G208 PolarHBondContact N-O 3.43Å; G160-G208 PolarHBondContact O-N 3.3Å; G208-M235 VanDerWaalsContact CA-SD 3.51Å
209	V	98.9	Very high	96.7	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	129.6	173.2	-178.2	0	0	0	0	108.8	V157 H158 I159 T191 I194 A195 I198 V207 V211 S233 T234	V157-V209 HydrophobicContact CG1-CG1 3.86Å; H158-V209 WeakPolarHBondContact O-CA 3.26Å; I159-V209 HydrophobicContact CG1-CG1 4.49Å; I159-V209 HydrophobicContact CG1-CG2 4.36Å; T191-V209 HydrophobicContact CG2-CB 4.36Å; T191-V209 HydrophobicContact CG2-CG1 4.08Å; I194-V209 HydrophobicContact CB-CG1 4.34Å; I194-V209 HydrophobicContact CG2-CG1 4.08Å; I194-V209 HydrophobicContact CG2-CG2 4.03Å; A195-V209 HydrophobicContact CB-CB 4.23Å; A195-V209 HydrophobicContact CB-CG2 3.65Å; I198-V209 HydrophobicContact CD1-CG2 4.35Å; V207-V209 HydrophobicContact CG1-CG2 4.02Å; V209-V211 HydrophobicContact CG1-CG2 4.29Å; V209-S233 CarbonylContact O-C 3.26Å; V209-S233 WeakPolarHBondContact O-CA 3.38Å; V209-T234 PolarHBondContact N-O 2.97Å; V209-T234 PolarHBondContact O-N 3.3Å
210	V	98.9	Very high	96.8	Very high	11 Å²	11	32.3 Å²	32.3	7%	0.067	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	131.9	171.8	178.8	0	0	0	0	108.5	V157 H158 V231 T232 M235 F249 L250 I253	V157-V210 WeakPolarHBondContact CA-O 3.48Å; H158-V210 HydrophobicContact CB-CB 4.44Å; H158-V210 PolarHBondContact N-O 3.45Å; H158-V210 PolarHBondContact O-N 3.3Å; V210-V231 HydrophobicContact CG1-CG1 3.88Å; V210-T232 WeakPolarHBondContact CA-O 3.37Å; V210-M235 HydrophobicContact CG2-CE 4.23Å; V210-F249 HydrophobicContact CG2-CE1 3.75Å; V210-F249 HydrophobicContact CG2-CZ 4.13Å; V210-L250 HydrophobicContact CG2-CD2 3.92Å; V210-I253 HydrophobicContact CB-CD1 3.98Å; V210-I253 HydrophobicContact CG1-CD1 4.28Å; V210-I253 HydrophobicContact CG2-CD1 3.79Å
211	V	98.9	Very high	97.1	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	124.2	173.9	-177.4	0	0	0	0	108.2	M142 R156 V157 Q187 T191 V209 A213 V231 T232	M142-V211 HydrophobicContact CE-CG1 3.67Å; R156-V211 WeakPolarHBondContact O-CA 3.32Å; V157-V211 HydrophobicContact CG1-CG2 4.14Å; V157-V211 HydrophobicContact CG2-CG1 4.34Å; V157-V211 HydrophobicContact CG2-CG2 3.99Å; Q187-V211 HydrophobicContact CG-CB 4.44Å; Q187-V211 HydrophobicContact CG-CG1 3.99Å; Q187-V211 PolarHBondContact NE2-O 3.12Å; Q187-V211 VanDerWaalsContact NE2-O 3.07Å; T191-V211 HydrophobicContact CG2-CG2 4.02Å; T191-V211 VanDerWaalsContact OG1-CG2 3.32Å; T191-V211 WeakPolarHBondContact OG1-CG2 3.41Å; V209-V211 HydrophobicContact CG1-CG2 4.29Å; V211-A213 HydrophobicContact CG1-CB 4.46Å; V211-V231 CarbonylContact O-C 3.57Å; V211-V231 VanDerWaalsContact O-CA 3.32Å; V211-V231 WeakPolarHBondContact O-CA 3.3Å; V211-T232 PolarHBondContact N-O 3Å; V211-T232 PolarHBondContact O-N 3.08Å
212	E	98.7	Very high	97.5	Very high	67 Å²	67	35.8 Å²	35.8	31%	0.313	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	120.4	170.2	177.5	-177.3	156.1	0	0	108.2	G155 R156 K229 T230 V231	G155-E212 CarbonylContact C-O 3.58Å; G155-E212 VanDerWaalsContact CA-O 3.22Å; G155-E212 WeakPolarHBondContact CA-O 3.49Å; R156-E212 PolarHBondContact N-O 2.71Å; R156-E212 PolarHBondContact O-N 3.4Å; E212-K229 HydrophobicContact CG-CB 4.47Å; E212-K229 HydrophobicContact CG-CD 4.07Å; E212-K229 WeakPolarHBondContact OE1-CD 3.27Å; E212-K229 WeakPolarHBondContact OE1-CE 3.38Å; E212-K229 IonicContact OE1-NZ 3.94Å; E212-K229 PolarHBondContact OE1-NZ 2.93Å; E212-T230 WeakPolarHBondContact CA-O 3.01Å; E212-V231 HydrophobicContact CB-CG2 4.2Å; E212-V231 HydrophobicContact CG-CG2 4.01Å
213	A	98.7	Very high	97.8	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.008	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	153.8	-176.4	0	0	0	0	0	114.5	M142 I153 F154 V211 T230	M142-A213 HydrophobicContact CE-CB 4.02Å; I153-A213 HydrophobicContact CG2-CB 3.65Å; F154-A213 CarbonylContact O-C 3.56Å; F154-A213 WeakPolarHBondContact O-CA 3.46Å; F154-A213 WeakPolarHBondContact O-CB 3.28Å; V211-A213 HydrophobicContact CG1-CB 4.46Å; A213-T230 PolarHBondContact N-O 3.38Å; A213-T230 PolarHBondContact O-N 3.27Å
214	T	98.7	Very high	97.9	Very high	26 Å²	26	41.7 Å²	41.7	16%	0.16	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	133.8	170.5	-57.6	0	0	0	0	109.1	I153 F154 V219	I153-T214 WeakPolarHBondContact CA-O 3.45Å; F154-T214 HydrophobicContact CZ-CG2 4.17Å; F154-T214 PolarHBondContact N-O 3.32Å; F154-T214 VanDerWaalsContact N-O 3.08Å; F154-T214 PolarHBondContact O-N 2.63Å; T214-V219 HydrophobicContact CG2-CG2 3.65Å
215	H	98.7	Very high	98	Very high	24 Å²	24	47 Å²	47	11%	0.111	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	112.1	-179.2	-72.7	-112.5	0	0	0	109.6	Q187 C217 M218 V219	Q187-H215 PolarHBondContact OE1-NE2 3.18Å; H215-C217 PolarHBondContact O-N 2.98Å; H215-C217 VanDerWaalsContact O-N 3.13Å; H215-M218 HydrophobicContact CB-CB 4.46Å; H215-M218 HydrophobicContact CB-CG 4.21Å; H215-M218 HydrophobicContact CB-SD 4.31Å; H215-M218 PolarHBondContact O-N 3.28Å; H215-V219 PolarHBondContact O-N 3.27Å
216	M	98.4	Very high	97.8	Very high	47 Å²	47	49.9 Å²	49.9	23%	0.232	26%	0.258	C	S	.	.	H	α-helix	trans	-63.1	-25.3	-179.1	-73.2	-61.6	-72.2	0	0	112	V151 P152 F154 M218 V219 M220	V151-M216 HydrophobicContact CG1-CB 3.34Å; P152-M216 WeakPolarHBondContact O-CB 3.38Å; P152-M216 PolarHBondContact O-N 2.96Å; F154-M216 HydrophobicContact CD1-CG 4.34Å; F154-M216 HydrophobicContact CE1-CG 3.69Å; F154-M216 HydrophobicContact CE1-SD 3.81Å; F154-M216 HydrophobicContact CZ-SD 4.34Å; M216-M218 PolarHBondContact O-N 2.82Å; M216-V219 PolarHBondContact O-N 2.81Å; M216-V219 VanDerWaalsContact O-N 3.13Å; M216-V219 HydrophobicContact SD-CB 4.18Å; M216-V219 HydrophobicContact SD-CG1 4.29Å; M216-M220 HydrophobicContact CB-SD 4.16Å; M216-M220 HydrophobicContact CE-CB 3.91Å; M216-M220 HydrophobicContact CE-CG 4.23Å; M216-M220 HydrophobicContact CE-SD 3.78Å; M216-M220 VanDerWaalsContact O-CG 3.32Å; M216-M220 WeakPolarHBondContact O-CG 3.47Å; M216-M220 PolarHBondContact O-N 3.02Å
217	C	97.9	Very high	97.7	Very high	17 Å²	17	57.1 Å²	57.1	12%	0.115	30%	0.297	C	S	.	.	H	α-helix	trans	-63.3	-17.9	172.7	65.4	0	0	0	0	114.3	H149 V151 H215 R221	H149-C217 HydrophobicContact CB-CB 4.34Å; V151-C217 HydrophobicContact CG1-CB 4.39Å; H215-C217 PolarHBondContact O-N 2.98Å; H215-C217 VanDerWaalsContact O-N 3.13Å; C217-R221 WeakPolarHBondContact O-CG 3.42Å
218	M	98.2	Very high	97.6	Very high	63 Å²	63	59.1 Å²	59.1	31%	0.31	31%	0.31	S	S	.	.	H	α-helix	trans	-100.3	-21.3	172.9	-64.7	-179.3	66.7	0	0	113.3	H215 M216 R221 V223 Q224 K225	H215-M218 HydrophobicContact CB-CB 4.46Å; H215-M218 HydrophobicContact CB-CG 4.21Å; H215-M218 HydrophobicContact CB-SD 4.31Å; H215-M218 PolarHBondContact O-N 3.28Å; M216-M218 PolarHBondContact O-N 2.82Å; M218-R221 CarbonylContact C-O 3.58Å; M218-V223 HydrophobicContact CB-CG2 4.17Å; M218-V223 HydrophobicContact CE-CG2 4.24Å; M218-V223 HydrophobicContact CG-CG2 4.47Å; M218-Q224 CarbonylContact O-C 3.58Å; M218-Q224 WeakPolarHBondContact O-CA 3.35Å; M218-Q224 PolarHBondContact O-N 3.29Å; M218-K225 PolarHBondContact O-N 3.22Å
219	V	98.1	Very high	97.6	Very high	15 Å²	15	65 Å²	65	9%	0.091	34%	0.336	C	S	.	.	H	α-helix	trans	-92.5	-56.5	-174.1	175.2	0	0	0	0	111.5	T214 H215 M216 Q224 M226	T214-V219 HydrophobicContact CG2-CG2 3.65Å; H215-V219 PolarHBondContact O-N 3.27Å; M216-V219 PolarHBondContact O-N 2.81Å; M216-V219 VanDerWaalsContact O-N 3.13Å; M216-V219 HydrophobicContact SD-CB 4.18Å; M216-V219 HydrophobicContact SD-CG1 4.29Å; V219-Q224 WeakPolarHBondContact O-CA 3.31Å; V219-M226 HydrophobicContact CG1-CE 4.05Å; V219-M226 HydrophobicContact CG1-SD 3.59Å; V219-M226 VanDerWaalsContact CG1-SD 3.59Å
220	M	97.4	Very high	97.5	Very high	120 Å²	120	67 Å²	67	59%	0.591	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	-8.5	-173.1	76.7	-170.2	-75.7	0	0	113.7	V151 M216	V151-M220 HydrophobicContact CG1-SD 4.34Å; M216-M220 HydrophobicContact CB-SD 4.16Å; M216-M220 HydrophobicContact CE-CB 3.91Å; M216-M220 HydrophobicContact CE-CG 4.23Å; M216-M220 HydrophobicContact CE-SD 3.78Å; M216-M220 VanDerWaalsContact O-CG 3.32Å; M216-M220 WeakPolarHBondContact O-CG 3.47Å; M216-M220 PolarHBondContact O-N 3.02Å
221	R	97.3	Very high	97.5	Very high	112 Å²	112	70.8 Å²	70.8	42%	0.423	37%	0.371	S	S	.	.	S	Bend	trans	-152.1	177.1	-179.6	65.8	171.1	-72.1	-92.8	8.6	111.1	H149 C217 M218 V223 Q224	H149-R221 PolarHBondContact CD2-NH1 2.86Å; H149-R221 PolarHBondContact NE2-NH1 3.5Å; C217-R221 WeakPolarHBondContact O-CG 3.42Å; M218-R221 CarbonylContact C-O 3.58Å; R221-V223 PolarHBondContact O-N 3.41Å; R221-Q224 PolarHBondContact O-N 2.81Å
222	G	96.8	Very high	97.5	Very high	60 Å²	60	71.6 Å²	71.6	62%	0.619	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	65	-118.1	175.8	0	0	0	0	0	111.3	Q224	G222-Q224 VanDerWaalsContact C-N 3.31Å; G222-Q224 PolarHBondContact O-N 2.89Å
223	V	96.8	Very high	97.5	Very high	88 Å²	88	71.9 Å²	71.9	53%	0.533	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-14.5	-176.4	-63.4	0	0	0	0	114.6	M218 R221 K225	M218-V223 HydrophobicContact CB-CG2 4.17Å; M218-V223 HydrophobicContact CE-CG2 4.24Å; M218-V223 HydrophobicContact CG-CG2 4.47Å; R221-V223 PolarHBondContact O-N 3.41Å; V223-K225 HydrophobicContact CB-CG 4.28Å; V223-K225 HydrophobicContact CG2-CG 4.06Å; V223-K225 WeakPolarHBondContact O-CE 3.4Å; V223-K225 PolarHBondContact O-N 3.47Å
224	Q	96.1	Very high	97.5	Very high	132 Å²	132	73 Å²	73	62%	0.617	39%	0.393	S	S	*	.			trans	50.4	51.3	174.3	-59.6	-178.7	-90.8	0	0	114.5	M218 V219 R221 G222	M218-Q224 CarbonylContact O-C 3.58Å; M218-Q224 WeakPolarHBondContact O-CA 3.35Å; M218-Q224 PolarHBondContact O-N 3.29Å; V219-Q224 WeakPolarHBondContact O-CA 3.31Å; R221-Q224 PolarHBondContact O-N 2.81Å; G222-Q224 VanDerWaalsContact C-N 3.31Å; G222-Q224 PolarHBondContact O-N 2.89Å
225	K	97.1	Very high	97.5	Very high	129 Å²	129	72.9 Å²	72.9	56%	0.561	39%	0.391	S	S	*	.			trans	-100.3	91.4	179.9	-59.3	-54.2	177.4	-169.6	0	111	M218 V223 N227 S228	M218-K225 PolarHBondContact O-N 3.22Å; V223-K225 HydrophobicContact CB-CG 4.28Å; V223-K225 HydrophobicContact CG2-CG 4.06Å; V223-K225 WeakPolarHBondContact O-CE 3.4Å; V223-K225 PolarHBondContact O-N 3.47Å; K225-N227 VanDerWaalsContact C-N 3.28Å; K225-N227 PolarHBondContact O-N 3.04Å; K225-S228 WeakPolarHBondContact O-CB 3.28Å; K225-S228 PolarHBondContact O-N 3.07Å; K225-S228 VanDerWaalsContact O-N 3.12Å
226	M	93.9	Very high	97.5	Very high	133 Å²	133	73.7 Å²	73.7	66%	0.655	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.1	-40.7	-175.2	-66.1	-60.1	-61.4	0	0	114.6	V219	V219-M226 HydrophobicContact CG1-CE 4.05Å; V219-M226 HydrophobicContact CG1-SD 3.59Å; V219-M226 VanDerWaalsContact CG1-SD 3.59Å
227	N	95.9	Very high	97.5	Very high	155 Å²	155	72.9 Å²	72.9	83%	0.829	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.4	3.3	-173.1	-57.7	-25.5	0	0	0	113.1	K225 K229	K225-N227 VanDerWaalsContact C-N 3.28Å; K225-N227 PolarHBondContact O-N 3.04Å; N227-K229 PolarHBondContact O-N 3.39Å
228	S	95.8	Very high	97.5	Very high	41 Å²	41	73.8 Å²	73.8	29%	0.287	40%	0.404	S	S	.	.			trans	-70.3	128.9	-178.5	-171.6	0	0	0	0	110.1	K225	K225-S228 WeakPolarHBondContact O-CB 3.28Å; K225-S228 PolarHBondContact O-N 3.07Å; K225-S228 VanDerWaalsContact O-N 3.12Å
229	K	97.5	Very high	97.5	Very high	124 Å²	124	70.8 Å²	70.8	54%	0.539	39%	0.389	S	S	.	.			trans	-126.8	143.5	173.4	-62.2	-169.6	-179.3	177.3	0	110.1	E212 N227	E212-K229 HydrophobicContact CG-CB 4.47Å; E212-K229 HydrophobicContact CG-CD 4.07Å; E212-K229 WeakPolarHBondContact OE1-CD 3.27Å; E212-K229 WeakPolarHBondContact OE1-CE 3.38Å; E212-K229 IonicContact OE1-NZ 3.94Å; E212-K229 PolarHBondContact OE1-NZ 2.93Å; N227-K229 PolarHBondContact O-N 3.39Å
230	T	98.5	Very high	97.5	Very high	42 Å²	42	78.4 Å²	78.4	26%	0.258	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	126	175.7	-58	0	0	0	0	108.5	Q187 E212 A213 T232	Q187-T230 PolarHBondContact NE2-O 2.96Å; E212-T230 WeakPolarHBondContact CA-O 3.01Å; A213-T230 PolarHBondContact N-O 3.38Å; A213-T230 PolarHBondContact O-N 3.27Å; T230-T232 HydrophobicContact CG2-CG2 4.27Å
231	V	98.7	Very high	97.6	Very high	90 Å²	90	80.1 Å²	80.1	55%	0.545	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	127.1	174.1	-175.5	0	0	0	0	108.7	V210 V211 E212	V210-V231 HydrophobicContact CG1-CG1 3.88Å; V211-V231 CarbonylContact O-C 3.57Å; V211-V231 VanDerWaalsContact O-CA 3.32Å; V211-V231 WeakPolarHBondContact O-CA 3.3Å; E212-V231 HydrophobicContact CB-CG2 4.2Å; E212-V231 HydrophobicContact CG-CG2 4.01Å
232	T	98.9	Very high	97.6	Very high	18 Å²	18	77.6 Å²	77.6	11%	0.11	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	148.8	175	49.9	0	0	0	0	109.2	Q187 E188 T191 V210 V211 T230	Q187-T232 HydrophobicContact CB-CG2 4.4Å; Q187-T232 HydrophobicContact CG-CG2 4.09Å; Q187-T232 WeakPolarHBondContact CG-OG1 3.48Å; Q187-T232 PolarHBondContact NE2-OG1 3.23Å; E188-T232 HydrophobicContact CG-CG2 3.98Å; T191-T232 PolarHBondContact OG1-OG1 3.41Å; V210-T232 WeakPolarHBondContact CA-O 3.37Å; V211-T232 PolarHBondContact N-O 3Å; V211-T232 PolarHBondContact O-N 3.08Å; T230-T232 HydrophobicContact CG2-CG2 4.27Å
233	S	98.8	Very high	97.7	Very high	73 Å²	73	77.8 Å²	77.8	51%	0.51	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	144.5	178.7	62.9	0	0	0	0	112.2	V209	V209-S233 CarbonylContact O-C 3.26Å; V209-S233 WeakPolarHBondContact O-CA 3.38Å
234	T	98.9	Very high	97.7	Very high	24 Å²	24	81.5 Å²	81.5	15%	0.147	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	126	169.5	-63.1	0	0	0	0	109	K192 A195 V209 L236	K192-T234 WeakPolarHBondContact CA-OG1 3.32Å; K192-T234 HydrophobicContact CG-CG2 4.5Å; K192-T234 PolarHBondContact N-OG1 2.93Å; A195-T234 HydrophobicContact CB-CG2 3.61Å; V209-T234 PolarHBondContact N-O 2.97Å; V209-T234 PolarHBondContact O-N 3.3Å; T234-L236 HydrophobicContact CG2-CD2 4.23Å; T234-L236 HydrophobicContact CG2-CG 4.16Å
235	M	98.6	Very high	97.8	Very high	24 Å²	24	76.1 Å²	76.1	12%	0.118	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	131.5	177.2	-55.6	-61.9	177.8	0	0	109.3	V207 G208 V210 F239 R240 R246 F249 L250	V207-M235 WeakPolarHBondContact O-CA 3.33Å; G208-M235 VanDerWaalsContact CA-SD 3.51Å; V210-M235 HydrophobicContact CG2-CE 4.23Å; M235-F239 HydrophobicContact CB-CB 4.07Å; M235-F239 HydrophobicContact SD-CB 4.09Å; M235-F239 HydrophobicContact SD-CD1 4.08Å; M235-R240 HydrophobicContact CB-CB 4.22Å; M235-R246 HydrophobicContact CE-CG 4.19Å; M235-F249 HydrophobicContact CE-CD1 3.87Å; M235-F249 HydrophobicContact CE-CE1 3.77Å; M235-F249 HydrophobicContact SD-CD1 4.31Å; M235-F249 HydrophobicContact SD-CE1 4.27Å; M235-L250 HydrophobicContact CE-CD2 4.02Å; M235-L250 HydrophobicContact CE-CG 4.47Å
236	L	98.6	Very high	97.9	Very high	40 Å²	40	73.2 Å²	73.2	21%	0.209	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	150.7	-179	-58.9	177.1	0	0	0	110.3	A195 V196 T199 G206 V207 T234 F239	A195-L236 HydrophobicContact CB-CD1 3.89Å; A195-L236 HydrophobicContact CB-CG 4.45Å; V196-L236 HydrophobicContact CG2-CD1 4.29Å; T199-L236 WeakPolarHBondContact OG1-CD1 3.45Å; G206-L236 CarbonylContact C-O 3.49Å; G206-L236 WeakPolarHBondContact CA-O 3.48Å; V207-L236 PolarHBondContact N-O 3.35Å; V207-L236 PolarHBondContact O-N 2.93Å; T234-L236 HydrophobicContact CG2-CD2 4.23Å; T234-L236 HydrophobicContact CG2-CG 4.16Å; L236-F239 PolarHBondContact O-N 2.94Å
237	G	98.3	Very high	98.1	Very high	30 Å²	30	71.2 Å²	71.2	31%	0.309	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	57.3	-136.3	-177.9	0	0	0	0	0	112.3	T205 F239 R240 E241	T205-G237 WeakPolarHBondContact O-CA 3.47Å; G237-F239 PolarHBondContact O-N 3.47Å; G237-F239 VanDerWaalsContact O-N 3.1Å; G237-R240 WeakPolarHBondContact O-CA 3.24Å; G237-R240 WeakPolarHBondContact O-CB 3.48Å; G237-R240 PolarHBondContact O-N 3.47Å; G237-E241 PolarHBondContact O-N 3.47Å; G237-E241 VanDerWaalsContact O-N 3.11Å
238	V	97.9	Very high	98.2	Very high	36 Å²	36	68.7 Å²	68.7	22%	0.218	35%	0.354	C	S	.	.	H	α-helix	trans	-57.1	-28.4	-177.3	-64.4	0	0	0	0	114.3	L162 T205 R240 E241 D242 T245	L162-V238 HydrophobicContact CB-CG2 4.12Å; L162-V238 HydrophobicContact CD1-CB 4.5Å; L162-V238 HydrophobicContact CD1-CG2 3.41Å; L162-V238 VanDerWaalsContact CD1-CG2 3.41Å; L162-V238 HydrophobicContact CG-CG2 4.37Å; T205-V238 HydrophobicContact CG2-CG1 3.85Å; T205-V238 PolarHBondContact O-N 3.23Å; T205-V238 VanDerWaalsContact O-N 3.08Å; V238-R240 PolarHBondContact O-N 3.22Å; V238-E241 PolarHBondContact O-N 3.35Å; V238-D242 WeakPolarHBondContact O-CB 3.31Å; V238-D242 PolarHBondContact O-N 2.98Å; V238-T245 HydrophobicContact CG2-CG2 4.47Å
239	F	98.4	Very high	98.4	Very high	0 Å²	0	66.7 Å²	66.7	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-66.1	-26.5	174.1	-78.6	-111.2	0	0	0	112.8	M134 L162 M235 L236 G237 T245 R246 F249	M134-F239 HydrophobicContact CE-CE1 4.21Å; M134-F239 HydrophobicContact CE-CZ 3.9Å; M134-F239 HydrophobicContact CG-CZ 4.04Å; M134-F239 HydrophobicContact SD-CE1 4.23Å; M134-F239 HydrophobicContact SD-CZ 3.94Å; L162-F239 HydrophobicContact CB-CE2 4.31Å; L162-F239 HydrophobicContact CD1-CE2 4.13Å; L162-F239 HydrophobicContact CG-CE2 4.1Å; M235-F239 HydrophobicContact CB-CB 4.07Å; M235-F239 HydrophobicContact SD-CB 4.09Å; M235-F239 HydrophobicContact SD-CD1 4.08Å; L236-F239 PolarHBondContact O-N 2.94Å; G237-F239 PolarHBondContact O-N 3.47Å; G237-F239 VanDerWaalsContact O-N 3.1Å; F239-T245 HydrophobicContact CD2-CG2 4.06Å; F239-T245 HydrophobicContact CE2-CG2 4.1Å; F239-T245 HydrophobicContact CG-CG2 4.27Å; F239-T245 HydrophobicContact CZ-CG2 4.38Å; F239-R246 WeakPolarHBondContact O-CB 3.29Å; F239-R246 PolarHBondContact O-NH1 3.05Å; F239-F249 HydrophobicContact CD1-CB 4.15Å; F239-F249 AromaticContact CD1-CD1 3.97Å; F239-F249 HydrophobicContact CD1-CD1 3.97Å; F239-F249 HydrophobicContact CD1-CG 4.14Å; F239-F249 HydrophobicContact CE1-CB 3.58Å; F239-F249 AromaticContact CE1-CD1 3.81Å; F239-F249 HydrophobicContact CE1-CD1 3.81Å; F239-F249 HydrophobicContact CE1-CD2 4.05Å; F239-F249 HydrophobicContact CE1-CE1 4.48Å; F239-F249 AromaticContact CE1-CG 3.55Å; F239-F249 HydrophobicContact CE1-CG 3.55Å
240	R	98.1	Very high	98.4	Very high	176 Å²	176	63.2 Å²	63.2	66%	0.664	33%	0.327	S	S	*	.	H	α-helix	trans	-85.3	-43.8	176	-173.7	175.7	-180	142.3	-1.1	111	M235 G237 V238 R246	M235-R240 HydrophobicContact CB-CB 4.22Å; G237-R240 WeakPolarHBondContact O-CA 3.24Å; G237-R240 WeakPolarHBondContact O-CB 3.48Å; G237-R240 PolarHBondContact O-N 3.47Å; V238-R240 PolarHBondContact O-N 3.22Å; R240-R246 PolarHBondContact O-NH1 3.17Å
241	E	98.3	Very high	98.4	Very high	155 Å²	155	65.5 Å²	65.5	72%	0.724	34%	0.341	S	S	*	.	H	α-helix	trans	-81.7	-40	-169.8	-66	171.1	-171.4	0	0	113.1	G237 V238 P243	G237-E241 PolarHBondContact O-N 3.47Å; G237-E241 VanDerWaalsContact O-N 3.11Å; V238-E241 PolarHBondContact O-N 3.35Å; E241-P243 WeakPolarHBondContact O-CD 3.21Å
242	D	98.4	Very high	98.3	Very high	60 Å²	60	64.9 Å²	64.9	32%	0.321	33%	0.334	S	S	.	.			trans	-101.2	113	178.9	-174.5	6.1	0	0	0	111.5	V238 K244 T245 R246	V238-D242 WeakPolarHBondContact O-CB 3.31Å; V238-D242 PolarHBondContact O-N 2.98Å; D242-K244 VanDerWaalsContact C-N 3.26Å; D242-K244 PolarHBondContact O-N 2.87Å; D242-K244 WeakPolarHBondContact OD1-CB 3.19Å; D242-K244 PolarHBondContact OD1-N 2.85Å; D242-T245 PolarHBondContact OD2-OG1 2.96Å; D242-R246 PolarHBondContact O-N 2.9Å
243	P	97.9	Very high	98.3	Very high	64 Å²	64	65 Å²	65	42%	0.416	33%	0.334	S	S	.	.	H	α-helix	trans	-58.8	-33.4	173.1	-22.4	33.6	0	0	0	113.9	E241 R246 D247	E241-P243 WeakPolarHBondContact O-CD 3.21Å; P243-R246 PolarHBondContact O-N 2.92Å; P243-D247 WeakPolarHBondContact O-CB 3.47Å; P243-D247 PolarHBondContact O-N 3.14Å
244	K	98.3	Very high	97.9	Very high	166 Å²	166	71.3 Å²	71.3	72%	0.722	35%	0.347	S	S	*	.	H	α-helix	trans	-67.4	-47.8	-176.2	-65	-179.9	-178.1	176.8	0	111.4	D242 R246 D247 E248	D242-K244 VanDerWaalsContact C-N 3.26Å; D242-K244 PolarHBondContact O-N 2.87Å; D242-K244 WeakPolarHBondContact OD1-CB 3.19Å; D242-K244 PolarHBondContact OD1-N 2.85Å; K244-R246 VanDerWaalsContact C-N 3.28Å; K244-R246 PolarHBondContact O-N 3.39Å; K244-D247 PolarHBondContact O-N 2.85Å; K244-E248 WeakPolarHBondContact O-CB 3.26Å; K244-E248 PolarHBondContact O-N 3.24Å
245	T	98.1	Very high	95.9	Very high	19 Å²	19	76.4 Å²	76.4	12%	0.117	38%	0.383	C	S	.	.	H	α-helix	trans	-56.5	-43.5	172.5	-58	0	0	0	0	111.7	M134 L162 V238 F239 D242 F249	M134-T245 HydrophobicContact CE-CG2 3.75Å; M134-T245 WeakPolarHBondContact CE-O 3.29Å; L162-T245 HydrophobicContact CD1-CG2 3.55Å; V238-T245 HydrophobicContact CG2-CG2 4.47Å; F239-T245 HydrophobicContact CD2-CG2 4.06Å; F239-T245 HydrophobicContact CE2-CG2 4.1Å; F239-T245 HydrophobicContact CG-CG2 4.27Å; F239-T245 HydrophobicContact CZ-CG2 4.38Å; D242-T245 PolarHBondContact OD2-OG1 2.96Å; T245-F249 PolarHBondContact O-N 3.43Å; T245-F249 VanDerWaalsContact O-N 3.08Å
246	R	98.6	Very high	95.8	Very high	68 Å²	68	79.1 Å²	79.1	26%	0.257	40%	0.397	S	S	.	.	H	α-helix	trans	-63.9	-43.9	178.3	-177	171.3	54.8	-110.3	3	112.1	M235 F239 R240 D242 P243 K244 F249 L250	M235-R246 HydrophobicContact CE-CG 4.19Å; F239-R246 WeakPolarHBondContact O-CB 3.29Å; F239-R246 PolarHBondContact O-NH1 3.05Å; R240-R246 PolarHBondContact O-NH1 3.17Å; D242-R246 PolarHBondContact O-N 2.9Å; P243-R246 PolarHBondContact O-N 2.92Å; K244-R246 VanDerWaalsContact C-N 3.28Å; K244-R246 PolarHBondContact O-N 3.39Å; R246-F249 PolarHBondContact O-N 2.93Å; R246-L250 HydrophobicContact CG-CD1 4.05Å; R246-L250 HydrophobicContact CG-CG 4.39Å; R246-L250 WeakPolarHBondContact O-CB 3.48Å; R246-L250 VanDerWaalsContact O-CG 3.3Å; R246-L250 WeakPolarHBondContact O-CG 3.49Å; R246-L250 PolarHBondContact O-N 3.42Å
247	D	98.2	Very high	95.6	Very high	90 Å²	90	81.1 Å²	81.1	48%	0.481	41%	0.406	S	S	.	.	H	α-helix	trans	-68.5	-37.8	-178.6	-70.9	-13.5	0	0	0	111.6	P243 K244 L250 T251	P243-D247 WeakPolarHBondContact O-CB 3.47Å; P243-D247 PolarHBondContact O-N 3.14Å; K244-D247 PolarHBondContact O-N 2.85Å; D247-L250 PolarHBondContact O-N 3.21Å; D247-T251 VanDerWaalsContact O-CB 3.32Å; D247-T251 WeakPolarHBondContact O-CB 3.35Å; D247-T251 PolarHBondContact O-N 3.23Å; D247-T251 PolarHBondContact O-OG1 3.42Å
248	E	98.4	Very high	95.5	Very high	102 Å²	102	83.9 Å²	83.9	48%	0.477	41%	0.412	S	S	.	.	H	α-helix	trans	-57.3	-53.3	171.3	-176.5	-176.1	155.2	0	0	110.8	M134 K244 L250 T251 L252	M134-E248 HydrophobicContact CE-CB 4.34Å; M134-E248 HydrophobicContact CE-CG 4.29Å; K244-E248 WeakPolarHBondContact O-CB 3.26Å; K244-E248 PolarHBondContact O-N 3.24Å; E248-L250 PolarHBondContact O-N 3.07Å; E248-T251 WeakPolarHBondContact O-CB 3.36Å; E248-T251 PolarHBondContact O-N 2.97Å; E248-T251 VanDerWaalsContact O-N 3.16Å; E248-L252 HydrophobicContact CG-CD1 3.94Å; E248-L252 WeakPolarHBondContact O-CG 3.37Å; E248-L252 PolarHBondContact O-N 2.72Å
249	F	98.6	Very high	95.3	Very high	0 Å²	0	86.8 Å²	86.8	0%	0	42%	0.423	C	S	.	.	H	α-helix	trans	-56.6	-51.2	177.3	168.4	-122.9	0	0	0	112.6	M134 I136 V210 M235 F239 T245 R246 T251 L252 I253	M134-F249 HydrophobicContact CE-CB 4.02Å; M134-F249 HydrophobicContact SD-CB 3.79Å; M134-F249 HydrophobicContact SD-CD2 4.29Å; M134-F249 HydrophobicContact SD-CG 4.49Å; I136-F249 HydrophobicContact CD1-CD2 3.96Å; I136-F249 HydrophobicContact CG1-CD2 4.2Å; V210-F249 HydrophobicContact CG2-CE1 3.75Å; V210-F249 HydrophobicContact CG2-CZ 4.13Å; M235-F249 HydrophobicContact CE-CD1 3.87Å; M235-F249 HydrophobicContact CE-CE1 3.77Å; M235-F249 HydrophobicContact SD-CD1 4.31Å; M235-F249 HydrophobicContact SD-CE1 4.27Å; F239-F249 HydrophobicContact CD1-CB 4.15Å; F239-F249 AromaticContact CD1-CD1 3.97Å; F239-F249 HydrophobicContact CD1-CD1 3.97Å; F239-F249 HydrophobicContact CD1-CG 4.14Å; F239-F249 HydrophobicContact CE1-CB 3.58Å; F239-F249 AromaticContact CE1-CD1 3.81Å; F239-F249 HydrophobicContact CE1-CD1 3.81Å; F239-F249 HydrophobicContact CE1-CD2 4.05Å; F239-F249 HydrophobicContact CE1-CE1 4.48Å; F239-F249 AromaticContact CE1-CG 3.55Å; F239-F249 HydrophobicContact CE1-CG 3.55Å; T245-F249 PolarHBondContact O-N 3.43Å; T245-F249 VanDerWaalsContact O-N 3.08Å; R246-F249 PolarHBondContact O-N 2.93Å; F249-T251 PolarHBondContact O-N 3Å; F249-L252 PolarHBondContact O-N 3.27Å; F249-I253 HydrophobicContact CD2-CG2 3.84Å; F249-I253 HydrophobicContact CE1-CD1 4.39Å; F249-I253 HydrophobicContact CE2-CG2 3.45Å; F249-I253 VanDerWaalsContact CE2-CG2 3.45Å; F249-I253 HydrophobicContact CZ-CD1 4.2Å; F249-I253 HydrophobicContact CZ-CG2 4.1Å; F249-I253 WeakPolarHBondContact O-CG2 3.48Å; F249-I253 PolarHBondContact O-N 3.07Å
250	L	98.2	Very high	95.1	Very high	50 Å²	50	92.2 Å²	92.2	26%	0.262	45%	0.45	S	S	.	.	H	α-helix	trans	-63.5	-26.9	-179	-69.7	179	0	0	0	112.6	V210 M235 R246 D247 E248 I253 R254	V210-L250 HydrophobicContact CG2-CD2 3.92Å; M235-L250 HydrophobicContact CE-CD2 4.02Å; M235-L250 HydrophobicContact CE-CG 4.47Å; R246-L250 HydrophobicContact CG-CD1 4.05Å; R246-L250 HydrophobicContact CG-CG 4.39Å; R246-L250 WeakPolarHBondContact O-CB 3.48Å; R246-L250 VanDerWaalsContact O-CG 3.3Å; R246-L250 WeakPolarHBondContact O-CG 3.49Å; R246-L250 PolarHBondContact O-N 3.42Å; D247-L250 PolarHBondContact O-N 3.21Å; E248-L250 PolarHBondContact O-N 3.07Å; L250-I253 HydrophobicContact CD2-CD1 4.03Å; L250-I253 WeakPolarHBondContact O-CG1 3.27Å; L250-R254 WeakPolarHBondContact O-CG 3.5Å
251	T	98.1	Very high	94.9	Very high	90 Å²	90	86.6 Å²	86.6	55%	0.552	44%	0.435	S	S	*	.	H	α-helix	trans	-75.4	-44.4	174.9	-60	0	0	0	0	111.2	D247 E248 F249 I253 R254	D247-T251 VanDerWaalsContact O-CB 3.32Å; D247-T251 WeakPolarHBondContact O-CB 3.35Å; D247-T251 PolarHBondContact O-N 3.23Å; D247-T251 PolarHBondContact O-OG1 3.42Å; E248-T251 WeakPolarHBondContact O-CB 3.36Å; E248-T251 PolarHBondContact O-N 2.97Å; E248-T251 VanDerWaalsContact O-N 3.16Å; F249-T251 PolarHBondContact O-N 3Å; T251-I253 VanDerWaalsContact C-N 3.3Å; T251-I253 PolarHBondContact O-N 3.45Å; T251-R254 PolarHBondContact O-N 3.03Å
252	L	97.9	Very high	94.7	Very high	77 Å²	77	81.7 Å²	81.7	40%	0.403	42%	0.415	S	S	.	.	H	α-helix	trans	-68.1	-25.8	-177.2	-69.9	172.1	0	0	0	113.8	I136 K138 E248 F249 S255	I136-L252 HydrophobicContact CD1-CB 3.52Å; I136-L252 HydrophobicContact CD1-CD1 3.57Å; I136-L252 HydrophobicContact CD1-CG 4.2Å; K138-L252 PolarHBondContact NZ-O 3.3Å; E248-L252 HydrophobicContact CG-CD1 3.94Å; E248-L252 WeakPolarHBondContact O-CG 3.37Å; E248-L252 PolarHBondContact O-N 2.72Å; F249-L252 PolarHBondContact O-N 3.27Å; L252-S255 PolarHBondContact O-OG 3.23Å
253	I	97.6	Very high	94.4	Very high	20 Å²	20	83.4 Å²	83.4	10%	0.103	42%	0.422	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-6	177.8	67	173.9	0	0	0	114.3	I136 H158 V210 F249 L250 T251	I136-I253 HydrophobicContact CG2-CG2 4.07Å; H158-I253 HydrophobicContact CB-CB 4.13Å; H158-I253 HydrophobicContact CB-CD1 4.18Å; H158-I253 HydrophobicContact CB-CG2 3.82Å; V210-I253 HydrophobicContact CB-CD1 3.98Å; V210-I253 HydrophobicContact CG1-CD1 4.28Å; V210-I253 HydrophobicContact CG2-CD1 3.79Å; F249-I253 HydrophobicContact CD2-CG2 3.84Å; F249-I253 HydrophobicContact CE1-CD1 4.39Å; F249-I253 HydrophobicContact CE2-CG2 3.45Å; F249-I253 VanDerWaalsContact CE2-CG2 3.45Å; F249-I253 HydrophobicContact CZ-CD1 4.2Å; F249-I253 HydrophobicContact CZ-CG2 4.1Å; F249-I253 WeakPolarHBondContact O-CG2 3.48Å; F249-I253 PolarHBondContact O-N 3.07Å; L250-I253 HydrophobicContact CD2-CD1 4.03Å; L250-I253 WeakPolarHBondContact O-CG1 3.27Å; T251-I253 VanDerWaalsContact C-N 3.3Å; T251-I253 PolarHBondContact O-N 3.45Å
254	R	91.3	Very high	94.1	Very high	207 Å²	207	85 Å²	85	78%	0.781	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	-12	179.7	-75.7	173.8	-177.9	-177.9	2.6	114.3	L250 T251	L250-R254 WeakPolarHBondContact O-CG 3.5Å; T251-R254 PolarHBondContact O-N 3.03Å
255	S	56.1	Low	93.7	Very high	131 Å²	131	77.6 Å²	77.6	92%	0.916	40%	0.395	S	S	*	.			trans	-91.5	0	-176.8	53.2	0	0	0	0	114.4	K138 L252	K138-S255 PolarHBondContact NZ-O 3.48Å; K138-S255 PolarHBondContact NZ-OG 2.95Å; L252-S255 PolarHBondContact O-OG 3.23Å

Retrieved 255 of 255 residues in 353 ms (Link to these results)

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