A0A061ADQ6_CAEEL Loading...

Tyrosine-protein kinase

AlphaFold DB , UniProt , Accession A0A061ADQ6, Species CAEEL (Caenorhabditis elegans), Gene n/a, Length 546 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.1	Very low	32.2	Very low	236 Å²	236	160.6 Å²	160.6	100%	1.163	84%	0.841	S	S	*	*				0	126.7	0	-74.2	165.4	168.4	0	0	107.4
2	N	37.8	Very low	32	Very low	155 Å²	155	159.8 Å²	159.8	83%	0.829	84%	0.838	S	S	*	*			trans	30.8	104.1	164.9	-48.7	1.3	0	0	0	116
3	S	29.2	Very low	31.8	Very low	112 Å²	112	158.7 Å²	158.7	78%	0.783	83%	0.834	S	S	*	*			cis	54.8	101.2	38.3	-157.6	0	0	0	0	114.3
4	I	37.2	Very low	31.6	Very low	169 Å²	169	160.6 Å²	160.6	87%	0.867	84%	0.844	S	S	*	*			trans	-149.4	130.4	133.5	-93.5	152	0	0	0	106.3
5	K	29.2	Very low	31.2	Very low	181 Å²	181	154.7 Å²	154.7	79%	0.787	83%	0.827	S	S	*	*			trans	-102.4	155.2	168.2	-69.4	174.8	173	-179.4	0	108.5
6	S	34.5	Very low	30.9	Very low	107 Å²	107	153.9 Å²	153.9	75%	0.748	82%	0.822	S	S	*	*			trans	-153.4	80.7	152.8	57.3	0	0	0	0	105.8
7	E	32.4	Very low	30.6	Very low	174 Å²	174	155.9 Å²	155.9	81%	0.813	83%	0.825	S	S	*	*				75.9	99.3	89.9	-72.7	179.4	168.6	0	0	111.7
8	H	28.1	Very low	30.3	Very low	189 Å²	189	151.3 Å²	151.3	88%	0.875	81%	0.807	S	S	*	*			trans	-71.3	133	153.4	-84.2	-54.9	0	0	0	108.2
9	E	31.3	Very low	30.2	Very low	200 Å²	200	148.1 Å²	148.1	94%	0.935	79%	0.793	S	S	*	*			trans	-114.8	102.2	145.8	-78.4	-175.7	147.6	0	0	107.5
10	S	27.8	Very low	30.1	Very low	92 Å²	92	151.5 Å²	151.5	64%	0.643	79%	0.794	S	S	*	*			trans	-88.8	138.6	149.7	51	0	0	0	0	107.6
11	D	32.5	Very low	30.2	Very low	152 Å²	152	149 Å²	149	81%	0.813	78%	0.781	S	S	*	*			trans	-173.4	105.1	147.7	-85.2	-23.2	0	0	0	103.6
12	D	29.6	Very low	30.1	Very low	150 Å²	150	144.2 Å²	144.2	80%	0.802	76%	0.76	S	S	*	*				67.6	156.6	77.1	-77.6	-25.2	0	0	0	114.4
13	D	29.4	Very low	30.4	Very low	146 Å²	146	139.3 Å²	139.3	78%	0.781	73%	0.734	S	S	*	*			trans	65.3	87.3	-178.6	-72.7	-21.4	0	0	0	119.6
14	L	29.1	Very low	31	Very low	186 Å²	186	138.7 Å²	138.7	97%	0.974	74%	0.736	S	S	*	*				-139.4	75.6	125.9	-101.9	178.4	0	0	0	110
15	A	26.5	Very low	31.6	Very low	71 Å²	71	135.3 Å²	135.3	59%	0.587	73%	0.727	S	S	*	*			trans	-84.9	146	-179.1	0	0	0	0	0	113.3
16	L	26	Very low	32.9	Very low	143 Å²	143	127.9 Å²	127.9	75%	0.749	70%	0.698	S	S	*	*			trans	36.5	84.6	159.9	-73.4	88	0	0	0	118.3	C18	L16-C18 PolarHBondContact O-N 3.17Å
17	E	25.8	Very low	34.2	Very low	187 Å²	187	123.1 Å²	123.1	87%	0.874	66%	0.664	S	S	*	*			trans	-87.5	85.6	153.8	-161.7	163.4	-144.4	0	0	110.5	V19	E17-V19 PolarHBondContact O-N 2.93Å
18	C	25.9	Very low	35.4	Very low	74 Å²	74	118.4 Å²	118.4	50%	0.5	64%	0.643	S	S	.	*			trans	-66.2	100.2	175.4	-110.7	0	0	0	0	110.7	L16 R20	L16-C18 PolarHBondContact O-N 3.17Å; C18-R20 PolarHBondContact O-N 3.38Å
19	V	27.6	Very low	36.3	Very low	90 Å²	90	114.3 Å²	114.3	55%	0.545	63%	0.625	S	S	.	*			trans	-63.3	93.5	176.6	-177.4	0	0	0	0	110.8	E17 L21	E17-V19 PolarHBondContact O-N 2.93Å; V19-L21 HydrophobicContact CG1-CD2 4.33Å; V19-L21 PolarHBondContact O-N 3.06Å
20	R	27.8	Very low	36.3	Very low	216 Å²	216	109.5 Å²	109.5	82%	0.815	62%	0.619	S	S	*	*			trans	-75	101.5	168	-70.3	-176.2	-179.6	176.4	2.4	108.9	C18 N22	C18-R20 PolarHBondContact O-N 3.38Å; R20-N22 VanDerWaalsContact C-N 3.32Å; R20-N22 PolarHBondContact O-N 3.39Å
21	L	33	Very low	36.5	Very low	99 Å²	99	109.6 Å²	109.6	52%	0.518	62%	0.62	S	S	.	*			trans	-62.9	86.2	172.8	-68.2	170.4	0	0	0	111.6	V19	V19-L21 HydrophobicContact CG1-CD2 4.33Å; V19-L21 PolarHBondContact O-N 3.06Å
22	N	30.8	Very low	36.4	Very low	136 Å²	136	110.3 Å²	110.3	73%	0.727	62%	0.624	S	S	*	*			trans	-122.5	43.4	177.6	-92.8	-4.1	0	0	0	111.4	R20 A24	R20-N22 VanDerWaalsContact C-N 3.32Å; R20-N22 PolarHBondContact O-N 3.39Å; N22-A24 PolarHBondContact O-N 3.28Å
23	D	43.8	Very low	36.3	Very low	52 Å²	52	112.7 Å²	112.7	28%	0.278	63%	0.627	S	S	.	*	T	Hydrogen-bonded Turn	trans	-74.5	33.8	-174.9	-54.2	-30.8	0	0	0	114.9	R222 Q226	D23-R222 PolarHBondContact O-NH2 3.43Å; D23-Q226 PolarHBondContact OD2-NE2 3.35Å; D23-Q226 VanDerWaalsContact OD2-NE2 3.12Å
24	A	41.8	Very low	36.4	Very low	99 Å²	99	113.3 Å²	113.3	82%	0.818	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.6	-21.6	178.3	0	0	0	0	0	113.1	N22	N22-A24 PolarHBondContact O-N 3.28Å
25	S	50	Low	36.4	Very low	98 Å²	98	109 Å²	109	69%	0.685	61%	0.614	S	S	*	*	S	Bend	trans	-103.1	-13.4	-167.5	-165.7	0	0	0	0	115.8
26	S	56.6	Low	36.6	Very low	25 Å²	25	113.1 Å²	113.1	18%	0.175	63%	0.626	C	S	.	*	S	Bend	trans	-76.3	-32	-172.5	43.2	0	0	0	0	114	I28 E87 H121	S26-I28 PolarHBondContact O-N 3.21Å; S26-E87 WeakPolarHBondContact CB-OE1 3.27Å; S26-H121 PolarHBondContact O-CD2 3.46Å
27	D	62.2	Low	37	Very low	7 Å²	7	115.8 Å²	115.8	4%	0.037	63%	0.634	C	S	.	*	S	Bend	trans	-72.4	-21	-170.6	-81.6	-62.8	0	0	0	115.2	G83 R99 T103 R222	D27-G83 WeakPolarHBondContact OD1-CA 3.44Å; D27-G83 PolarHBondContact OD1-N 3.31Å; D27-R99 IonicContact OD1-CZ 2.66Å; D27-R99 VanDerWaalsContact OD1-CZ 3.29Å; D27-R99 IonicContact OD1-NH1 3.18Å; D27-R99 PolarHBondContact OD1-NH1 3.12Å; D27-R99 IonicContact OD1-NH2 3.91Å; D27-R99 PolarHBondContact OD1-NH2 2.93Å; D27-T103 HydrophobicContact CB-CG2 4.33Å; D27-R222 IonicContact OD2-CZ 2.74Å; D27-R222 VanDerWaalsContact OD2-CZ 3.26Å; D27-R222 IonicContact OD2-NH1 2.75Å; D27-R222 PolarHBondContact OD2-NH1 3.29Å; D27-R222 IonicContact OD2-NH2 3.98Å; D27-R222 PolarHBondContact OD2-NH2 2.95Å
28	I	57.9	Low	37.3	Very low	74 Å²	74	112 Å²	112	38%	0.379	64%	0.635	S	S	.	*			trans	-149.1	122.7	175.5	-55.2	-179.3	0	0	0	110.3	S26 A30 T103 F108	S26-I28 PolarHBondContact O-N 3.21Å; I28-A30 PolarHBondContact O-N 3.1Å; I28-A30 VanDerWaalsContact O-N 3.13Å; I28-T103 HydrophobicContact CD1-CG2 4Å; I28-T103 HydrophobicContact CG1-CG2 4.34Å; I28-F108 HydrophobicContact CD1-CE1 4.2Å; I28-F108 HydrophobicContact CD1-CZ 3.89Å; I28-F108 HydrophobicContact CG1-CZ 4.02Å
29	E	46.1	Very low	37.6	Very low	103 Å²	103	111.9 Å²	111.9	48%	0.481	65%	0.647	S	S	.	*			trans	-71.2	103.2	160.2	-71.5	-157.5	124.3	0	0	109.5	S31 K118	E29-S31 PolarHBondContact O-N 3.45Å; E29-K118 WeakPolarHBondContact OE1-CE 3.46Å; E29-K118 IonicContact OE1-NZ 3.7Å; E29-K118 PolarHBondContact OE1-NZ 2.88Å; E29-K118 IonicContact OE2-NZ 2.71Å; E29-K118 PolarHBondContact OE2-NZ 3.37Å
30	A	33.2	Very low	37.9	Very low	99 Å²	99	112 Å²	112	82%	0.818	66%	0.657	S	S	*	*			trans	-83.4	98.7	171	0	0	0	0	0	109.8	I28	I28-A30 PolarHBondContact O-N 3.1Å; I28-A30 VanDerWaalsContact O-N 3.13Å
31	S	30	Very low	38.1	Very low	95 Å²	95	108.9 Å²	108.9	66%	0.664	66%	0.656	S	S	*	*			trans	-119.5	90	170.3	63.4	0	0	0	0	110	E29	E29-S31 PolarHBondContact O-N 3.45Å
32	D	30.6	Very low	38.1	Very low	167 Å²	167	113.8 Å²	113.8	89%	0.893	67%	0.674	S	S	*	*			trans	-152.1	139.1	137.8	-112	-30.7	0	0	0	110.8
33	K	28.3	Very low	38	Very low	199 Å²	199	115.4 Å²	115.4	87%	0.865	68%	0.681	S	S	*	*			trans	-104.6	126.1	177.4	-71	178.5	177.1	178.8	0	108.7
34	N	30.8	Very low	37.4	Very low	159 Å²	159	122.4 Å²	122.4	85%	0.85	71%	0.712	S	S	*	*			trans	-157.1	135.8	136.5	-116.1	-10.2	0	0	0	111
35	P	30.1	Very low	36.8	Very low	97 Å²	97	123.2 Å²	123.2	63%	0.63	71%	0.712	S	S	*	*			trans	-87	173	170.5	36.9	-33.7	0	0	0	111.7
36	N	31.3	Very low	36	Very low	156 Å²	156	122.5 Å²	122.5	83%	0.834	72%	0.72	S	S	*	*			trans	77.6	118.9	-174.9	-44.3	-23.7	0	0	0	111.5
37	E	34.4	Very low	34.6	Very low	199 Å²	199	128.3 Å²	128.3	93%	0.93	75%	0.749	S	S	*	*				-139.9	168.4	51.2	-77.6	177	146.9	0	0	114.4
38	A	31.5	Very low	33.4	Very low	108 Å²	108	137.6 Å²	137.6	89%	0.893	79%	0.789	S	S	*	*			trans	-110.3	153.5	-175.1	0	0	0	0	0	112.7
39	G	33	Very low	31.9	Very low	72 Å²	72	141.3 Å²	141.3	74%	0.742	81%	0.81	S	S	*	*			trans	148.9	78.1	178.7	0	0	0	0	0	110.9
40	A	33	Very low	31.2	Very low	91 Å²	91	142.9 Å²	142.9	75%	0.752	83%	0.826	S	S	*	*				79.8	109.9	80.2	0	0	0	0	0	113.8
41	D	31.1	Very low	31	Very low	151 Å²	151	143.1 Å²	143.1	81%	0.807	82%	0.822	S	S	*	*			trans	37	128.4	149.9	-47.7	-28.3	0	0	0	119.8
42	K	33.8	Very low	30.8	Very low	203 Å²	203	145.3 Å²	145.3	88%	0.883	83%	0.831	S	S	*	*				-163.1	156.7	61.3	-87.1	-178.4	174.4	175.5	0	113.6
43	L	28.8	Very low	30.7	Very low	170 Å²	170	142.8 Å²	142.8	89%	0.89	83%	0.827	S	S	*	*			trans	-69.3	144.2	159.3	-64.9	113.7	0	0	0	110.8
44	E	32.2	Very low	30.6	Very low	198 Å²	198	141.4 Å²	141.4	93%	0.925	83%	0.825	S	S	*	*			trans	-154	147.5	133.9	-127.2	169.7	-144.1	0	0	113.1
45	S	28.8	Very low	30.4	Very low	116 Å²	116	142.8 Å²	142.8	81%	0.811	83%	0.829	S	S	*	*			trans	-91.2	124	-170.8	52.4	0	0	0	0	112.7
46	G	32.3	Very low	30.4	Very low	83 Å²	83	143.9 Å²	143.9	86%	0.856	84%	0.839	S	S	*	*			trans	-115.5	84.1	175.8	0	0	0	0	0	113
47	N	27.9	Very low	30.3	Very low	148 Å²	148	144 Å²	144	79%	0.791	84%	0.84	S	S	*	*			trans	-76.9	127.8	177.3	-159.1	13	0	0	0	110.7
48	K	35.7	Very low	30.2	Very low	202 Å²	202	140.2 Å²	140.2	88%	0.878	84%	0.835	S	S	*	*			trans	-163.3	127.3	162.6	-110.3	156.1	-165.9	178.1	0	113.3
49	N	27.9	Very low	30.7	Very low	151 Å²	151	140.5 Å²	140.5	81%	0.807	83%	0.831	S	S	*	*			trans	-70.3	138.8	178.5	-54	-47.8	0	0	0	111.9
50	V	31.5	Very low	32	Very low	137 Å²	137	140.6 Å²	140.6	83%	0.83	82%	0.82	S	S	*	*			trans	-139	106	148.6	-175	0	0	0	0	110.8
51	S	28.1	Very low	34.2	Very low	104 Å²	104	139.8 Å²	139.8	73%	0.727	80%	0.803	S	S	*	*			trans	13	130.9	139.4	-46.2	0	0	0	0	120.8	S53	S51-S53 PolarHBondContact O-N 2.98Å
52	T	25.4	Very low	36.7	Very low	141 Å²	141	137.4 Å²	137.4	87%	0.865	80%	0.796	S	S	*	*			trans	-31.9	124.4	155.1	-42.8	0	0	0	0	114.7
53	S	28.9	Very low	39.1	Very low	114 Å²	114	129.6 Å²	129.6	80%	0.797	76%	0.762	S	S	*	*			trans	-130.3	136.7	152.9	65.6	0	0	0	0	110.6	S51	S51-S53 PolarHBondContact O-N 2.98Å
54	M	26.5	Very low	42	Very low	169 Å²	169	121.9 Å²	121.9	83%	0.833	72%	0.722	S	S	*	*			trans	-84.3	164.5	168.9	-65.1	178.4	171.2	0	0	109.3
55	M	27.3	Very low	44.7	Very low	188 Å²	188	115.1 Å²	115.1	93%	0.926	69%	0.692	S	S	*	*			trans	71.3	90.5	173.7	-53.7	178.9	165	0	0	115.7
56	S	30.2	Very low	47.8	Very low	121 Å²	121	110.7 Å²	110.7	85%	0.846	66%	0.658	S	S	*	*			trans	-95.4	114.9	158.9	56.9	0	0	0	0	109.9
57	N	28.8	Very low	50.7	Low	159 Å²	159	106.7 Å²	106.7	85%	0.85	62%	0.617	S	S	*	*			trans	-57.8	151.8	168.7	-86	-24.1	0	0	0	111.5	S59	N57-S59 PolarHBondContact O-N 2.98Å; N57-S59 VanDerWaalsContact O-N 3.11Å
58	S	32.7	Very low	53.7	Low	118 Å²	118	104.4 Å²	104.4	83%	0.825	60%	0.597	S	S	*	*			trans	-73	94.3	176.7	53.4	0	0	0	0	112.3
59	S	40.7	Very low	56.4	Low	114 Å²	114	98.9 Å²	98.9	80%	0.797	58%	0.584	S	S	*	*			trans	-81	110	146.7	54.8	0	0	0	0	107	N57	N57-S59 PolarHBondContact O-N 2.98Å; N57-S59 VanDerWaalsContact O-N 3.11Å
60	S	60.4	Low	59.5	Low	74 Å²	74	94.8 Å²	94.8	52%	0.517	56%	0.56	S	S	.	*			trans	-70.5	138.3	178.9	64.4	0	0	0	0	110.6	P62 D65	S60-P62 WeakPolarHBondContact O-CD 3.47Å; S60-D65 WeakPolarHBondContact CB-OD2 3.3Å; S60-D65 PolarHBondContact OG-OD2 3.35Å
61	D	78.3	Confident	62.5	Low	74 Å²	74	88.3 Å²	88.3	40%	0.396	52%	0.52	S	S	.	.			trans	-75.4	118.2	173.8	173.4	-0.3	0	0	0	108	E63 E64 D65 R100	D61-E63 PolarHBondContact O-N 2.95Å; D61-E63 PolarHBondContact OD1-N 3.26Å; D61-E64 HydrophobicContact CB-CB 3.84Å; D61-E64 WeakPolarHBondContact O-CA 3.36Å; D61-E64 WeakPolarHBondContact O-CB 3.29Å; D61-E64 PolarHBondContact O-N 2.9Å; D61-D65 PolarHBondContact O-N 2.89Å; D61-R100 IonicContact OD2-NH2 2.65Å; D61-R100 PolarHBondContact OD2-NH2 3.02Å
62	P	84.4	Confident	65.6	Low	101 Å²	101	84 Å²	84	66%	0.656	49%	0.489	S	S	*	.	H	α-helix	trans	-60.8	-28.2	-178.4	-24.4	35.3	0	0	0	113.9	S60 E64 Y66	S60-P62 WeakPolarHBondContact O-CD 3.47Å; P62-E64 VanDerWaalsContact C-N 3.34Å; P62-Y66 VanDerWaalsContact O-CB 3.32Å; P62-Y66 WeakPolarHBondContact O-CB 3.25Å; P62-Y66 PolarHBondContact O-N 3.37Å; P62-Y66 VanDerWaalsContact O-N 3.11Å
63	E	85.1	Confident	68.8	Low	39 Å²	39	82.7 Å²	82.7	18%	0.182	48%	0.477	C	S	.	.	H	α-helix	trans	-66.9	-40.6	173.4	-171.7	-179.1	74	0	0	110.1	D61 Y66 I67 R100 L109	D61-E63 PolarHBondContact O-N 2.95Å; D61-E63 PolarHBondContact OD1-N 3.26Å; E63-Y66 PolarHBondContact O-N 3.26Å; E63-I67 HydrophobicContact CG-CD1 4Å; E63-I67 WeakPolarHBondContact O-CB 3.36Å; E63-I67 WeakPolarHBondContact O-CD1 3.28Å; E63-I67 VanDerWaalsContact O-CG1 3.22Å; E63-I67 WeakPolarHBondContact O-CG1 3.41Å; E63-I67 PolarHBondContact O-N 2.77Å; E63-R100 IonicContact OE1-CZ 3.03Å; E63-R100 IonicContact OE1-NE 2.68Å; E63-R100 PolarHBondContact OE1-NE 3.15Å; E63-R100 IonicContact OE1-NH2 2.65Å; E63-R100 PolarHBondContact OE1-NH2 3.44Å; E63-L109 HydrophobicContact CG-CG 4.49Å; E63-L109 PolarHBondContact OE2-N 3.23Å
64	E	88.4	Confident	71.8	Confident	8 Å²	8	78.2 Å²	78.2	4%	0.037	44%	0.444	C	S	.	.	H	α-helix	trans	-68.7	-43.4	-179.1	-157.1	70	-143.4	0	0	112.2	D61 P62 Y66 I67 R68 R100 E253 E254	D61-E64 HydrophobicContact CB-CB 3.84Å; D61-E64 WeakPolarHBondContact O-CA 3.36Å; D61-E64 WeakPolarHBondContact O-CB 3.29Å; D61-E64 PolarHBondContact O-N 2.9Å; P62-E64 VanDerWaalsContact C-N 3.34Å; E64-Y66 VanDerWaalsContact C-N 3.29Å; E64-Y66 PolarHBondContact O-N 3.19Å; E64-I67 WeakPolarHBondContact O-CB 3.46Å; E64-I67 PolarHBondContact O-N 3.49Å; E64-R68 VanDerWaalsContact CG-CZ 3.47Å; E64-R68 WeakPolarHBondContact O-CG 3.39Å; E64-R68 PolarHBondContact O-N 2.89Å; E64-R100 IonicContact OE2-CZ 2.7Å; E64-R100 IonicContact OE2-NH1 3Å; E64-R100 PolarHBondContact OE2-NH1 2.81Å; E64-R100 IonicContact OE2-NH2 2.66Å; E64-R100 PolarHBondContact OE2-NH2 2.78Å; E64-E253 VanDerWaalsContact OE1-CA 3.25Å; E64-E253 WeakPolarHBondContact OE1-CA 3.3Å; E64-E253 VanDerWaalsContact OE1-CB 3.24Å; E64-E253 WeakPolarHBondContact OE1-CB 3.27Å; E64-E254 PolarHBondContact OE1-N 3.17Å
65	D	90.4	Very high	75	Confident	56 Å²	56	76.5 Å²	76.5	30%	0.299	43%	0.433	S	S	.	.	H	α-helix	trans	-65.8	-34.7	175.7	-70.2	-14.2	0	0	0	111.5	S60 D61 R68 S69	S60-D65 WeakPolarHBondContact CB-OD2 3.3Å; S60-D65 PolarHBondContact OG-OD2 3.35Å; D61-D65 PolarHBondContact O-N 2.89Å; D65-R68 IonicContact OD1-NH1 3.84Å; D65-R68 PolarHBondContact OD1-NH1 3.16Å; D65-S69 WeakPolarHBondContact O-CB 3.31Å; D65-S69 PolarHBondContact O-N 3.49Å; D65-S69 VanDerWaalsContact O-N 3.15Å; D65-S69 PolarHBondContact O-OG 2.82Å
66	Y	92.6	Very high	78.3	Confident	23 Å²	23	68.1 Å²	68.1	9%	0.09	39%	0.393	C	S	.	.	H	α-helix	trans	-66.5	-44.9	171.5	178.5	-84.7	0	0	0	112.1	P62 E63 E64 S69 H70 L71 W131 H150 I151	P62-Y66 VanDerWaalsContact O-CB 3.32Å; P62-Y66 WeakPolarHBondContact O-CB 3.25Å; P62-Y66 PolarHBondContact O-N 3.37Å; P62-Y66 VanDerWaalsContact O-N 3.11Å; E63-Y66 PolarHBondContact O-N 3.26Å; E64-Y66 VanDerWaalsContact C-N 3.29Å; E64-Y66 PolarHBondContact O-N 3.19Å; Y66-S69 PolarHBondContact O-N 3Å; Y66-H70 AromaticContact CD2-CE1 3.83Å; Y66-H70 AromaticContact CD2-ND1 3.29Å; Y66-H70 VanDerWaalsContact CD2-ND1 3.29Å; Y66-H70 WeakPolarHBondContact CD2-ND1 3.36Å; Y66-H70 HydrophobicContact CE1-CB 4.19Å; Y66-H70 HydrophobicContact CE2-CB 4.26Å; Y66-H70 AromaticContact CE2-CG 3.87Å; Y66-H70 AromaticContact CE2-ND1 3.39Å; Y66-H70 WeakPolarHBondContact CE2-ND1 3.43Å; Y66-H70 AromaticContact CG-ND1 3.77Å; Y66-H70 AromaticContact CZ-ND1 3.94Å; Y66-H70 WeakPolarHBondContact O-CB 3.28Å; Y66-H70 PolarHBondContact O-N 3.03Å; Y66-H70 PolarHBondContact O-ND1 3.5Å; Y66-L71 HydrophobicContact CD1-CD1 4.29Å; Y66-L71 HydrophobicContact CD1-CG 4.39Å; Y66-L71 HydrophobicContact CE1-CD1 3.96Å; Y66-L71 HydrophobicContact CE1-CD2 4.08Å; Y66-L71 HydrophobicContact CE1-CG 3.89Å; Y66-W131 AromaticContact CD1-CZ2 3.65Å; Y66-W131 HydrophobicContact CD1-CZ2 3.65Å; Y66-W131 HydrophobicContact CD2-CZ2 4.4Å; Y66-W131 AromaticContact CD2-NE1 3.71Å; Y66-W131 AromaticContact CE1-CE2 3.76Å; Y66-W131 AromaticContact CE1-CZ2 3.78Å; Y66-W131 HydrophobicContact CE1-CZ2 3.78Å; Y66-W131 AromaticContact CE1-NE1 3.59Å; Y66-W131 AromaticContact CE2-CD1 3.94Å; Y66-W131 HydrophobicContact CE2-CZ2 4.49Å; Y66-W131 AromaticContact CE2-NE1 3.14Å; Y66-W131 HydrophobicContact CG-CZ2 4.02Å; Y66-W131 AromaticContact CZ-CD1 3.81Å; Y66-W131 AromaticContact CZ-CE2 3.77Å; Y66-W131 AromaticContact CZ-NE1 3.1Å; Y66-W131 PolarHBondContact OH-NE1 3.5Å; Y66-H150 AromaticContact CE2-ND1 3.74Å; Y66-H150 VanDerWaalsContact OH-CA 3.32Å; Y66-H150 WeakPolarHBondContact OH-CA 3.41Å; Y66-I151 HydrophobicContact CE1-CD1 3.96Å; Y66-I151 HydrophobicContact CE1-CG1 4.42Å; Y66-I151 PolarHBondContact OH-N 2.95Å
67	I	93.2	Very high	81.4	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-55.8	-51.8	176.1	-76.1	161.2	0	0	0	110.1	E63 E64 S69 H70 L71 I72 Y77 L109 L252 E253	E63-I67 HydrophobicContact CG-CD1 4Å; E63-I67 WeakPolarHBondContact O-CB 3.36Å; E63-I67 WeakPolarHBondContact O-CD1 3.28Å; E63-I67 VanDerWaalsContact O-CG1 3.22Å; E63-I67 WeakPolarHBondContact O-CG1 3.41Å; E63-I67 PolarHBondContact O-N 2.77Å; E64-I67 WeakPolarHBondContact O-CB 3.46Å; E64-I67 PolarHBondContact O-N 3.49Å; I67-S69 VanDerWaalsContact C-N 3.32Å; I67-S69 PolarHBondContact O-N 2.68Å; I67-H70 PolarHBondContact O-N 3.14Å; I67-L71 HydrophobicContact CG1-CD1 4.03Å; I67-L71 PolarHBondContact O-N 2.96Å; I67-I72 PolarHBondContact O-N 3.48Å; I67-Y77 HydrophobicContact CG2-CE1 3.94Å; I67-L109 HydrophobicContact CD1-CD2 4.31Å; I67-L109 HydrophobicContact CG1-CD1 4.41Å; I67-L109 HydrophobicContact CG1-CD2 4.37Å; I67-L252 WeakPolarHBondContact CG2-O 3.44Å; I67-E253 HydrophobicContact CG2-CB 4.27Å
68	R	92.2	Very high	84.6	Confident	99 Å²	99	55.3 Å²	55.3	37%	0.374	31%	0.314	S	S	.	.	H	α-helix	trans	-54.7	-47.1	178.9	-76.5	172.5	179.7	124	15.8	112.6	E64 D65 I72 E253 E254	E64-R68 VanDerWaalsContact CG-CZ 3.47Å; E64-R68 WeakPolarHBondContact O-CG 3.39Å; E64-R68 PolarHBondContact O-N 2.89Å; D65-R68 IonicContact OD1-NH1 3.84Å; D65-R68 PolarHBondContact OD1-NH1 3.16Å; R68-I72 HydrophobicContact CB-CD1 4.44Å; R68-I72 HydrophobicContact CG-CD1 4.31Å; R68-E253 WeakPolarHBondContact CG-OE2 3.34Å; R68-E253 IonicContact CZ-OE2 2.79Å; R68-E253 IonicContact NE-OE2 2.75Å; R68-E253 PolarHBondContact NE-OE2 3.09Å; R68-E253 IonicContact NH2-OE2 2.69Å; R68-E253 PolarHBondContact NH2-OE2 2.88Å; R68-E254 PolarHBondContact NH2-O 3.35Å
69	S	91.7	Very high	87.5	Confident	86 Å²	86	49.7 Å²	49.7	60%	0.601	28%	0.275	S	S	*	.	H	α-helix	trans	-77.4	-31.7	-172.4	-55.8	0	0	0	0	113.3	D65 Y66 I67	D65-S69 WeakPolarHBondContact O-CB 3.31Å; D65-S69 PolarHBondContact O-N 3.49Å; D65-S69 VanDerWaalsContact O-N 3.15Å; D65-S69 PolarHBondContact O-OG 2.82Å; Y66-S69 PolarHBondContact O-N 3Å; I67-S69 VanDerWaalsContact C-N 3.32Å; I67-S69 PolarHBondContact O-N 2.68Å
70	H	93.2	Very high	90	Very high	65 Å²	65	44.5 Å²	44.5	30%	0.301	24%	0.239	S	C	.	.	H	α-helix	trans	-123.9	-27.5	-166.5	-52.6	101.5	0	0	0	115.7	Y66 I67 H150	Y66-H70 AromaticContact CD2-CE1 3.83Å; Y66-H70 AromaticContact CD2-ND1 3.29Å; Y66-H70 VanDerWaalsContact CD2-ND1 3.29Å; Y66-H70 WeakPolarHBondContact CD2-ND1 3.36Å; Y66-H70 HydrophobicContact CE1-CB 4.19Å; Y66-H70 HydrophobicContact CE2-CB 4.26Å; Y66-H70 AromaticContact CE2-CG 3.87Å; Y66-H70 AromaticContact CE2-ND1 3.39Å; Y66-H70 WeakPolarHBondContact CE2-ND1 3.43Å; Y66-H70 AromaticContact CG-ND1 3.77Å; Y66-H70 AromaticContact CZ-ND1 3.94Å; Y66-H70 WeakPolarHBondContact O-CB 3.28Å; Y66-H70 PolarHBondContact O-N 3.03Å; Y66-H70 PolarHBondContact O-ND1 3.5Å; I67-H70 PolarHBondContact O-N 3.14Å; H70-H150 AromaticContact CD2-CE1 3.42Å; H70-H150 PolarHBondContact CD2-CE1 3.35Å; H70-H150 VanDerWaalsContact CD2-CE1 3.42Å; H70-H150 AromaticContact CD2-ND1 3.28Å; H70-H150 PolarHBondContact CD2-ND1 3.26Å; H70-H150 VanDerWaalsContact CD2-ND1 3.28Å; H70-H150 AromaticContact CE1-CE1 3.86Å; H70-H150 AromaticContact CE1-ND1 3.92Å; H70-H150 AromaticContact CG-ND1 3.68Å; H70-H150 AromaticContact NE2-CE1 3.17Å; H70-H150 PolarHBondContact NE2-CE1 3.06Å; H70-H150 AromaticContact NE2-ND1 3.46Å; H70-H150 PolarHBondContact NE2-ND1 3.22Å
71	L	95	Very high	91.5	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.005	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108	-28.8	-167.5	-57.2	-174.8	0	0	0	114.6	Y66 I67 N73 L74 Y77 L109 I151	Y66-L71 HydrophobicContact CD1-CD1 4.29Å; Y66-L71 HydrophobicContact CD1-CG 4.39Å; Y66-L71 HydrophobicContact CE1-CD1 3.96Å; Y66-L71 HydrophobicContact CE1-CD2 4.08Å; Y66-L71 HydrophobicContact CE1-CG 3.89Å; I67-L71 HydrophobicContact CG1-CD1 4.03Å; I67-L71 PolarHBondContact O-N 2.96Å; L71-N73 PolarHBondContact O-N 3.23Å; L71-L74 HydrophobicContact CD2-CD2 4.15Å; L71-L74 WeakPolarHBondContact O-CB 3.24Å; L71-L74 PolarHBondContact O-N 2.91Å; L71-Y77 HydrophobicContact CB-CD1 3.64Å; L71-Y77 HydrophobicContact CB-CD2 4.36Å; L71-Y77 HydrophobicContact CB-CE1 3.87Å; L71-Y77 HydrophobicContact CB-CG 3.89Å; L71-Y77 HydrophobicContact CD1-CD2 4.25Å; L71-Y77 HydrophobicContact CD1-CE2 4.11Å; L71-Y77 WeakPolarHBondContact O-CD1 3.41Å; L71-L109 HydrophobicContact CD1-CD1 3.54Å; L71-L109 HydrophobicContact CD1-CD2 4.23Å; L71-I151 HydrophobicContact CD1-CD1 4.08Å; L71-I151 HydrophobicContact CD2-CB 4.18Å; L71-I151 HydrophobicContact CD2-CD1 4.19Å; L71-I151 HydrophobicContact CD2-CG2 4.49Å
72	I	93.1	Very high	92.2	Very high	13 Å²	13	38.9 Å²	38.9	7%	0.067	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.9	-44.2	179.9	-69.3	-177.6	0	0	0	111.7	I67 R68 L74 R170 I176 L252 E253	I67-I72 PolarHBondContact O-N 3.48Å; R68-I72 HydrophobicContact CB-CD1 4.44Å; R68-I72 HydrophobicContact CG-CD1 4.31Å; I72-L74 VanDerWaalsContact C-N 3.3Å; I72-L74 PolarHBondContact O-N 2.95Å; I72-R170 PolarHBondContact O-NH1 3.46Å; I72-R170 PolarHBondContact O-NH2 2.83Å; I72-I176 HydrophobicContact CG2-CD1 4.35Å; I72-I176 HydrophobicContact CG2-CG1 4.28Å; I72-I176 HydrophobicContact CG2-CG2 3.64Å; I72-L252 HydrophobicContact CG1-CB 4.42Å; I72-L252 HydrophobicContact CG2-CD1 4.2Å; I72-E253 HydrophobicContact CD1-CG 4.27Å; I72-E253 WeakPolarHBondContact CD1-OE1 3.33Å
73	N	90.8	Very high	92.5	Very high	115 Å²	115	34.1 Å²	34.1	62%	0.615	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84	4	-178.9	-65.1	-39.5	0	0	0	114.5	L71	L71-N73 PolarHBondContact O-N 3.23Å
74	L	93.7	Very high	92.8	Very high	19 Å²	19	33.1 Å²	33.1	10%	0.099	17%	0.169	C	C	.	.			trans	-92.9	108.9	177.4	-179.4	66.2	0	0	0	109.5	L71 I72 V76 Y77 L155 R170	L71-L74 HydrophobicContact CD2-CD2 4.15Å; L71-L74 WeakPolarHBondContact O-CB 3.24Å; L71-L74 PolarHBondContact O-N 2.91Å; I72-L74 VanDerWaalsContact C-N 3.3Å; I72-L74 PolarHBondContact O-N 2.95Å; L74-V76 HydrophobicContact CD1-CG2 3.93Å; L74-V76 HydrophobicContact CD2-CG2 3.94Å; L74-V76 HydrophobicContact CG-CG2 3.68Å; L74-V76 PolarHBondContact O-N 3.2Å; L74-V76 VanDerWaalsContact O-N 3.1Å; L74-Y77 WeakPolarHBondContact O-CB 3.39Å; L74-Y77 PolarHBondContact O-N 3.13Å; L74-L155 HydrophobicContact CD2-CD1 3.8Å; L74-R170 PolarHBondContact O-NH1 3.29Å
75	H	93.2	Very high	92.9	Very high	133 Å²	133	34.3 Å²	34.3	62%	0.616	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-26.5	-173.5	-63.3	99.7	0	0	0	115.3	Y77 P169 R170	H75-Y77 VanDerWaalsContact C-N 3.29Å; H75-P169 WeakPolarHBondContact O-CA 3.39Å; H75-R170 PolarHBondContact O-N 3Å
76	V	95.5	Very high	93	Very high	12 Å²	12	31.6 Å²	31.6	7%	0.073	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-0.5	175.5	-62.6	0	0	0	0	113.9	L74 H78 Y96 V98 L155 P167	L74-V76 HydrophobicContact CD1-CG2 3.93Å; L74-V76 HydrophobicContact CD2-CG2 3.94Å; L74-V76 HydrophobicContact CG-CG2 3.68Å; L74-V76 PolarHBondContact O-N 3.2Å; L74-V76 VanDerWaalsContact O-N 3.1Å; V76-H78 PolarHBondContact O-CD2 2.88Å; V76-H78 VanDerWaalsContact O-CD2 3.29Å; V76-Y96 HydrophobicContact CB-CE2 4.49Å; V76-Y96 HydrophobicContact CG1-CE2 4.44Å; V76-Y96 HydrophobicContact CG2-CE2 4.34Å; V76-V98 PolarHBondContact O-N 2.7Å; V76-L155 HydrophobicContact CG2-CD1 3.87Å; V76-P167 HydrophobicContact CG1-CB 3.31Å
77	Y	96.7	Very high	93.1	Very high	1 Å²	1	34 Å²	34	0%	0.004	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	122.4	170.5	177.6	-116.5	0	0	0	110	I67 L71 L74 H75 V98 L109 R170 L252	I67-Y77 HydrophobicContact CG2-CE1 3.94Å; L71-Y77 HydrophobicContact CB-CD1 3.64Å; L71-Y77 HydrophobicContact CB-CD2 4.36Å; L71-Y77 HydrophobicContact CB-CE1 3.87Å; L71-Y77 HydrophobicContact CB-CG 3.89Å; L71-Y77 HydrophobicContact CD1-CD2 4.25Å; L71-Y77 HydrophobicContact CD1-CE2 4.11Å; L71-Y77 WeakPolarHBondContact O-CD1 3.41Å; L74-Y77 WeakPolarHBondContact O-CB 3.39Å; L74-Y77 PolarHBondContact O-N 3.13Å; H75-Y77 VanDerWaalsContact C-N 3.29Å; Y77-V98 WeakPolarHBondContact CA-O 3.39Å; Y77-V98 HydrophobicContact CD2-CB 4.19Å; Y77-V98 HydrophobicContact CD2-CG1 3.99Å; Y77-L109 HydrophobicContact CE2-CD2 3.85Å; Y77-R170 WeakPolarHBondContact O-CD 3.38Å; Y77-R170 PolarHBondContact O-NH1 3.49Å; Y77-L252 HydrophobicContact CD1-CD2 4.09Å; Y77-L252 HydrophobicContact CE1-CB 4.28Å; Y77-L252 HydrophobicContact CE1-CD2 4.29Å; Y77-L252 WeakPolarHBondContact CE1-O 3.41Å; Y77-L252 PolarHBondContact OH-O 3.44Å
78	H	95.6	Very high	93.1	Very high	10 Å²	10	40.4 Å²	40.4	5%	0.046	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	-0.6	-175.2	-68	-115.9	0	0	0	113.4	V76 L81 V98 T168 P169 R170 S251	V76-H78 PolarHBondContact O-CD2 2.88Å; V76-H78 VanDerWaalsContact O-CD2 3.29Å; H78-L81 HydrophobicContact CB-CB 4.49Å; H78-L81 HydrophobicContact CB-CD2 3.98Å; H78-V98 PolarHBondContact N-O 3.04Å; H78-T168 PolarHBondContact NE2-O 2.87Å; H78-P169 PolarHBondContact CE1-O 3.19Å; H78-R170 WeakPolarHBondContact CE1-CA 3.43Å; H78-R170 PolarHBondContact CE1-N 3.13Å; H78-S251 PolarHBondContact O-OG 3.35Å
79	G	94.2	Very high	93.2	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	72.5	-147.5	-173.3	0	0	0	0	0	112.3	L81 R99 R100 S251	G79-L81 PolarHBondContact O-N 3.45Å; G79-R99 CarbonylContact O-C 3.53Å; G79-R99 WeakPolarHBondContact O-CA 3.42Å; G79-R100 PolarHBondContact O-N 3.42Å; G79-S251 CarbonylContact C-O 3.36Å; G79-S251 WeakPolarHBondContact CA-O 3.46Å
80	V	92.6	Very high	93.4	Very high	5 Å²	5	35.1 Å²	35.1	3%	0.03	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	116.9	171.1	173.6	0	0	0	0	110.2	R100 I102 I225 S251 I256	V80-R100 HydrophobicContact CG2-CB 4.28Å; V80-I102 HydrophobicContact CG1-CD1 3.46Å; V80-I102 VanDerWaalsContact CG1-CD1 3.46Å; V80-I102 HydrophobicContact CG1-CG1 4.34Å; V80-I225 HydrophobicContact CG1-CG2 4.07Å; V80-S251 PolarHBondContact N-O 3.29Å; V80-I256 HydrophobicContact CB-CD1 3.94Å; V80-I256 HydrophobicContact CG1-CD1 3.81Å; V80-I256 HydrophobicContact CG2-CD1 3.95Å; V80-I256 HydrophobicContact CG2-CG1 4.37Å
81	L	92.4	Very high	93.3	Very high	25 Å²	25	36.8 Å²	36.8	13%	0.131	19%	0.187	C	C	.	.			trans	-148.1	132.6	178.8	-174.7	69.3	0	0	0	109.4	H78 G79 E85 A86 L89 L97 R99 R100	H78-L81 HydrophobicContact CB-CB 4.49Å; H78-L81 HydrophobicContact CB-CD2 3.98Å; G79-L81 PolarHBondContact O-N 3.45Å; L81-E85 HydrophobicContact CD1-CB 3.61Å; L81-E85 HydrophobicContact CG-CB 4.28Å; L81-A86 HydrophobicContact CD2-CB 3.82Å; L81-A86 HydrophobicContact CG-CB 4.31Å; L81-L89 HydrophobicContact CD2-CD1 3.99Å; L81-L97 HydrophobicContact CD2-CD1 4.11Å; L81-L97 HydrophobicContact CD2-CD2 4.2Å; L81-R99 HydrophobicContact CB-CB 3.88Å; L81-R99 HydrophobicContact CD2-CB 4.49Å; L81-R99 WeakPolarHBondContact O-CD 3.24Å; L81-R99 PolarHBondContact O-NH1 3.23Å; L81-R100 PolarHBondContact N-O 2.92Å
82	F	92	Very high	93.2	Very high	6 Å²	6	42.9 Å²	42.9	3%	0.026	21%	0.21	C	C	.	.			trans	-78.2	154.1	177.9	-72.1	-95.5	0	0	0	111.7	S84 E85 A86 I102 R222 I225 Q226 C229	F82-S84 PolarHBondContact O-N 2.99Å; F82-E85 HydrophobicContact CB-CG 4.27Å; F82-E85 PolarHBondContact O-N 3.14Å; F82-E85 VanDerWaalsContact O-N 3.09Å; F82-A86 PolarHBondContact O-N 3.44Å; F82-I102 HydrophobicContact CZ-CD1 4.33Å; F82-R222 HydrophobicContact CE1-CG 3.82Å; F82-R222 HydrophobicContact CZ-CG 4.41Å; F82-I225 HydrophobicContact CE2-CG2 4.06Å; F82-I225 HydrophobicContact CZ-CB 4.31Å; F82-I225 HydrophobicContact CZ-CG2 4.07Å; F82-Q226 HydrophobicContact CD1-CG 4.49Å; F82-Q226 HydrophobicContact CE1-CB 3.9Å; F82-Q226 HydrophobicContact CE1-CG 4.15Å; F82-Q226 HydrophobicContact CE2-CB 4.09Å; F82-Q226 HydrophobicContact CE2-CG 4.4Å; F82-Q226 HydrophobicContact CZ-CB 3.56Å; F82-Q226 HydrophobicContact CZ-CG 4.13Å; F82-C229 HydrophobicContact CE2-CB 4.24Å
83	G	91.8	Very high	93.2	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-53.3	-51.2	179.1	0	0	0	0	0	113	D27 E85 A86 E87	D27-G83 WeakPolarHBondContact OD1-CA 3.44Å; D27-G83 PolarHBondContact OD1-N 3.31Å; G83-E85 PolarHBondContact O-N 2.91Å; G83-E85 VanDerWaalsContact O-N 3.17Å; G83-A86 CarbonylContact O-C 3.54Å; G83-A86 WeakPolarHBondContact O-CB 3.04Å; G83-A86 PolarHBondContact O-N 3.31Å; G83-E87 WeakPolarHBondContact O-CG 3.4Å; G83-E87 PolarHBondContact O-N 3.26Å
84	S	90.2	Very high	93.4	Very high	19 Å²	19	43.6 Å²	43.6	13%	0.133	21%	0.207	C	C	.	.	H	α-helix	trans	-57.5	-29.9	177	47.7	0	0	0	0	114.2	F82 K88	F82-S84 PolarHBondContact O-N 2.99Å; S84-K88 WeakPolarHBondContact O-CG 3.42Å
85	E	90.5	Very high	93.5	Very high	32 Å²	32	42.8 Å²	42.8	15%	0.15	20%	0.203	C	C	.	.	H	α-helix	trans	-84.5	-34.1	176.6	-58.1	-51.5	128.2	0	0	112.1	L81 F82 G83 E87 K88 L89 Q233	L81-E85 HydrophobicContact CD1-CB 3.61Å; L81-E85 HydrophobicContact CG-CB 4.28Å; F82-E85 HydrophobicContact CB-CG 4.27Å; F82-E85 PolarHBondContact O-N 3.14Å; F82-E85 VanDerWaalsContact O-N 3.09Å; G83-E85 PolarHBondContact O-N 2.91Å; G83-E85 VanDerWaalsContact O-N 3.17Å; E85-E87 VanDerWaalsContact C-N 3.31Å; E85-K88 PolarHBondContact O-N 3.32Å; E85-K88 WeakPolarHBondContact OE1-CE 3.48Å; E85-K88 IonicContact OE1-NZ 3.3Å; E85-K88 PolarHBondContact OE1-NZ 3Å; E85-K88 WeakPolarHBondContact OE2-CD 3.39Å; E85-K88 IonicContact OE2-NZ 3.36Å; E85-K88 PolarHBondContact OE2-NZ 3.23Å; E85-L89 WeakPolarHBondContact O-CG 3.32Å; E85-L89 PolarHBondContact O-N 3.25Å; E85-Q233 VanDerWaalsContact CG-NE2 3.31Å; E85-Q233 PolarHBondContact OE2-NE2 3.17Å
86	A	93.5	Very high	93.7	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-63.7	-38.7	169.5	0	0	0	0	0	111.5	L81 F82 G83 K88 L89 L90 L97	L81-A86 HydrophobicContact CD2-CB 3.82Å; L81-A86 HydrophobicContact CG-CB 4.31Å; F82-A86 PolarHBondContact O-N 3.44Å; G83-A86 CarbonylContact O-C 3.54Å; G83-A86 WeakPolarHBondContact O-CB 3.04Å; G83-A86 PolarHBondContact O-N 3.31Å; A86-K88 VanDerWaalsContact C-N 3.34Å; A86-K88 PolarHBondContact O-N 2.62Å; A86-L89 PolarHBondContact O-N 2.79Å; A86-L89 VanDerWaalsContact O-N 3.13Å; A86-L90 WeakPolarHBondContact O-CB 3.1Å; A86-L90 VanDerWaalsContact O-CG 3.23Å; A86-L90 WeakPolarHBondContact O-CG 3.45Å; A86-L90 PolarHBondContact O-N 3.11Å; A86-L97 HydrophobicContact CB-CD1 4.25Å; A86-L97 HydrophobicContact CB-CD2 4.32Å
87	E	94.7	Very high	93.7	Very high	74 Å²	74	36.6 Å²	36.6	35%	0.346	17%	0.174	S	C	.	.	H	α-helix	trans	-58.3	-43.1	176.5	-73.4	168.7	-125.2	0	0	112.2	S26 G83 E85 L89 L90 I119 H121	S26-E87 WeakPolarHBondContact CB-OE1 3.27Å; G83-E87 WeakPolarHBondContact O-CG 3.4Å; G83-E87 PolarHBondContact O-N 3.26Å; E85-E87 VanDerWaalsContact C-N 3.31Å; E87-L89 VanDerWaalsContact C-N 3.29Å; E87-L89 PolarHBondContact O-N 3.05Å; E87-L90 PolarHBondContact O-N 3.34Å; E87-I119 HydrophobicContact CB-CD1 3.88Å; E87-I119 HydrophobicContact CG-CB 4.31Å; E87-I119 HydrophobicContact CG-CD1 3.94Å; E87-I119 HydrophobicContact CG-CG2 4Å; E87-H121 IonicContact OE1-NE2 3.43Å
88	K	92.4	Very high	93.8	Very high	133 Å²	133	36.5 Å²	36.5	58%	0.578	17%	0.173	S	C	*	.	H	α-helix	trans	-63.4	-29.3	175.8	-66.5	169.1	-169.5	171.4	0	113.7	S84 E85 A86 T91	S84-K88 WeakPolarHBondContact O-CG 3.42Å; E85-K88 PolarHBondContact O-N 3.32Å; E85-K88 WeakPolarHBondContact OE1-CE 3.48Å; E85-K88 IonicContact OE1-NZ 3.3Å; E85-K88 PolarHBondContact OE1-NZ 3Å; E85-K88 WeakPolarHBondContact OE2-CD 3.39Å; E85-K88 IonicContact OE2-NZ 3.36Å; E85-K88 PolarHBondContact OE2-NZ 3.23Å; A86-K88 VanDerWaalsContact C-N 3.34Å; A86-K88 PolarHBondContact O-N 2.62Å; K88-T91 WeakPolarHBondContact O-CG2 3.45Å
89	L	93.5	Very high	93.8	Very high	74 Å²	74	36 Å²	36	39%	0.387	17%	0.171	S	C	.	.	H	α-helix	trans	-82.2	-33.8	178.7	-64	177.8	0	0	0	112.3	L81 E85 A86 E87 T91 L97 T168	L81-L89 HydrophobicContact CD2-CD1 3.99Å; E85-L89 WeakPolarHBondContact O-CG 3.32Å; E85-L89 PolarHBondContact O-N 3.25Å; A86-L89 PolarHBondContact O-N 2.79Å; A86-L89 VanDerWaalsContact O-N 3.13Å; E87-L89 VanDerWaalsContact C-N 3.29Å; E87-L89 PolarHBondContact O-N 3.05Å; L89-T91 PolarHBondContact O-N 2.69Å; L89-L97 HydrophobicContact CB-CD2 4.18Å; L89-L97 HydrophobicContact CD1-CD2 4.19Å; L89-T168 HydrophobicContact CB-CG2 4.41Å
90	L	96	Very high	93.7	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.005	17%	0.172	C	C	.	.			trans	-81.9	51.2	-174.3	-66.1	172.4	0	0	0	112.7	A86 E87 W92 A95 L97 N114 I119	A86-L90 WeakPolarHBondContact O-CB 3.1Å; A86-L90 VanDerWaalsContact O-CG 3.23Å; A86-L90 WeakPolarHBondContact O-CG 3.45Å; A86-L90 PolarHBondContact O-N 3.11Å; E87-L90 PolarHBondContact O-N 3.34Å; L90-W92 PolarHBondContact O-N 2.93Å; L90-A95 HydrophobicContact CD2-CB 3.86Å; L90-L97 HydrophobicContact CD1-CD2 4.38Å; L90-L97 HydrophobicContact CD1-CG 4.37Å; L90-L97 HydrophobicContact CD2-CD2 3.94Å; L90-L97 HydrophobicContact CD2-CG 4.04Å; L90-L97 HydrophobicContact CG-CD2 3.98Å; L90-L97 HydrophobicContact CG-CG 4.34Å; L90-N114 HydrophobicContact CB-CB 4.15Å; L90-N114 WeakPolarHBondContact O-CB 3.24Å; L90-N114 PolarHBondContact O-ND2 3.49Å; L90-I119 HydrophobicContact CB-CD1 4.11Å; L90-I119 HydrophobicContact CD1-CG2 3.91Å
91	T	91.8	Very high	93.7	Very high	99 Å²	99	36 Å²	36	61%	0.607	17%	0.171	S	C	*	.			trans	-67.1	-32	-173.9	46.8	0	0	0	0	114.9	K88 L89	K88-T91 WeakPolarHBondContact O-CG2 3.45Å; L89-T91 PolarHBondContact O-N 2.69Å
92	W	93	Very high	93.4	Very high	129 Å²	129	35.3 Å²	35.3	49%	0.489	17%	0.167	S	C	.	.	S	Bend	trans	-95.9	144.9	-177.3	-58.3	93.3	0	0	0	111.9	L90 R94 A95 N114 I166	L90-W92 PolarHBondContact O-N 2.93Å; W92-R94 PolarHBondContact O-N 3.06Å; W92-A95 HydrophobicContact CB-CB 4.32Å; W92-A95 WeakPolarHBondContact O-CB 3.4Å; W92-A95 PolarHBondContact O-N 3.18Å; W92-A95 VanDerWaalsContact O-N 3.1Å; W92-N114 WeakPolarHBondContact O-CB 3.39Å; W92-N114 PolarHBondContact O-ND2 2.95Å; W92-I166 HydrophobicContact CB-CD1 4.35Å
93	D	94	Very high	92.9	Very high	61 Å²	61	36.5 Å²	36.5	33%	0.326	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	140.2	167.7	-174.1	49.1	0	0	0	109.8	A95 K116 K117	D93-A95 PolarHBondContact O-N 2.79Å; D93-K116 WeakPolarHBondContact OD1-CA 3.48Å; D93-K116 PolarHBondContact OD1-N 3.2Å; D93-K117 PolarHBondContact OD1-N 3.07Å
94	R	93.6	Very high	91.9	Very high	82 Å²	82	45.5 Å²	45.5	31%	0.309	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	67	5.3	-174.8	-39.9	-173.5	-175.8	-162.7	3.9	115.6	W92 N114 W115 P163 F164 L165 I166	W92-R94 PolarHBondContact O-N 3.06Å; R94-N114 WeakPolarHBondContact CA-O 3.43Å; R94-N114 PolarHBondContact N-O 3.44Å; R94-W115 HydrophobicContact CB-CZ3 4.43Å; R94-W115 HydrophobicContact CG-CE3 4.01Å; R94-W115 HydrophobicContact CG-CZ3 3.76Å; R94-P163 PolarHBondContact NH1-O 2.94Å; R94-F164 WeakPolarHBondContact CB-O 3.11Å; R94-F164 VanDerWaalsContact CD-O 3.31Å; R94-F164 WeakPolarHBondContact CD-O 3.46Å; R94-L165 HydrophobicContact CB-CD2 4.31Å; R94-I166 PolarHBondContact O-N 3.26Å
95	A	96.4	Very high	90.9	Very high	2 Å²	2	50.1 Å²	50.1	2%	0.017	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	136.8	168.1	0	0	0	0	0	110.5	L90 W92 D93 V113 N114 I166	L90-A95 HydrophobicContact CD2-CB 3.86Å; W92-A95 HydrophobicContact CB-CB 4.32Å; W92-A95 WeakPolarHBondContact O-CB 3.4Å; W92-A95 PolarHBondContact O-N 3.18Å; W92-A95 VanDerWaalsContact O-N 3.1Å; D93-A95 PolarHBondContact O-N 2.79Å; A95-V113 CarbonylContact O-C 3.58Å; A95-V113 WeakPolarHBondContact O-CA 3.49Å; A95-V113 WeakPolarHBondContact O-CG2 3.4Å; A95-N114 PolarHBondContact O-N 3.34Å; A95-I166 CarbonylContact C-O 3.56Å; A95-I166 WeakPolarHBondContact CA-O 3.47Å
96	Y	96.4	Very high	90.5	Very high	15 Å²	15	53.6 Å²	53.6	6%	0.059	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	155.9	172.6	77.5	-87.8	0	0	0	113.1	V76 S112 L155 W158 L165 I166 P167 T168	V76-Y96 HydrophobicContact CB-CE2 4.49Å; V76-Y96 HydrophobicContact CG1-CE2 4.44Å; V76-Y96 HydrophobicContact CG2-CE2 4.34Å; Y96-S112 CarbonylContact C-O 3.58Å; Y96-S112 VanDerWaalsContact CA-O 3.25Å; Y96-S112 WeakPolarHBondContact CA-O 3.38Å; Y96-L155 HydrophobicContact CD2-CD2 4.3Å; Y96-L155 HydrophobicContact CE2-CD2 3.8Å; Y96-W158 HydrophobicContact CD1-CZ3 4.35Å; Y96-W158 AromaticContact CD2-CZ3 3.88Å; Y96-W158 HydrophobicContact CD2-CZ3 3.88Å; Y96-W158 HydrophobicContact CG-CH2 4.26Å; Y96-W158 AromaticContact CG-CZ3 3.8Å; Y96-W158 HydrophobicContact CG-CZ3 3.8Å; Y96-L165 HydrophobicContact CD1-CB 4.02Å; Y96-L165 HydrophobicContact CD1-CD2 4.38Å; Y96-L165 HydrophobicContact CE1-CB 3.93Å; Y96-I166 WeakPolarHBondContact CD1-O 3.5Å; Y96-I166 PolarHBondContact N-O 3.06Å; Y96-P167 HydrophobicContact CE1-CB 4.07Å; Y96-T168 VanDerWaalsContact O-CB 3.24Å; Y96-T168 WeakPolarHBondContact O-CB 3.29Å; Y96-T168 PolarHBondContact O-N 2.73Å; Y96-T168 PolarHBondContact O-OG1 3.45Å; Y96-T168 VanDerWaalsContact O-OG1 3.11Å
97	L	97.2	Very high	90.2	Very high	0 Å²	0	57 Å²	57	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	163.3	171.8	61.7	83.2	0	0	0	111.8	L81 A86 L89 L90 R99 I111 S112	L81-L97 HydrophobicContact CD2-CD1 4.11Å; L81-L97 HydrophobicContact CD2-CD2 4.2Å; A86-L97 HydrophobicContact CB-CD1 4.25Å; A86-L97 HydrophobicContact CB-CD2 4.32Å; L89-L97 HydrophobicContact CB-CD2 4.18Å; L89-L97 HydrophobicContact CD1-CD2 4.19Å; L90-L97 HydrophobicContact CD1-CD2 4.38Å; L90-L97 HydrophobicContact CD1-CG 4.37Å; L90-L97 HydrophobicContact CD2-CD2 3.94Å; L90-L97 HydrophobicContact CD2-CG 4.04Å; L90-L97 HydrophobicContact CG-CD2 3.98Å; L90-L97 HydrophobicContact CG-CG 4.34Å; L97-R99 HydrophobicContact CD1-CB 4.02Å; L97-R99 HydrophobicContact CD1-CG 4.1Å; L97-I111 WeakPolarHBondContact O-CA 3.37Å; L97-S112 PolarHBondContact N-O 2.96Å; L97-S112 PolarHBondContact O-N 3.06Å
98	V	97.1	Very high	90	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	136.2	169.5	-170.5	0	0	0	0	109.4	V76 Y77 H78 C110 I111 L124 I151 L155	V76-V98 PolarHBondContact O-N 2.7Å; Y77-V98 WeakPolarHBondContact CA-O 3.39Å; Y77-V98 HydrophobicContact CD2-CB 4.19Å; Y77-V98 HydrophobicContact CD2-CG1 3.99Å; H78-V98 PolarHBondContact N-O 3.04Å; V98-C110 WeakPolarHBondContact CA-O 3.34Å; V98-I111 HydrophobicContact CG2-CG1 4.36Å; V98-L124 HydrophobicContact CG1-CD1 4.27Å; V98-I151 HydrophobicContact CG2-CG2 4.45Å; V98-L155 HydrophobicContact CG2-CD1 3.78Å; V98-L155 HydrophobicContact CG2-CD2 4.31Å
99	R	95.9	Very high	90.1	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	158.2	178.2	62.1	-174.1	-175.1	98.7	-2.8	111.7	D27 G79 L81 L97 L109 C110 S112 H121	D27-R99 IonicContact OD1-CZ 2.66Å; D27-R99 VanDerWaalsContact OD1-CZ 3.29Å; D27-R99 IonicContact OD1-NH1 3.18Å; D27-R99 PolarHBondContact OD1-NH1 3.12Å; D27-R99 IonicContact OD1-NH2 3.91Å; D27-R99 PolarHBondContact OD1-NH2 2.93Å; G79-R99 CarbonylContact O-C 3.53Å; G79-R99 WeakPolarHBondContact O-CA 3.42Å; L81-R99 HydrophobicContact CB-CB 3.88Å; L81-R99 HydrophobicContact CD2-CB 4.49Å; L81-R99 WeakPolarHBondContact O-CD 3.24Å; L81-R99 PolarHBondContact O-NH1 3.23Å; L97-R99 HydrophobicContact CD1-CB 4.02Å; L97-R99 HydrophobicContact CD1-CG 4.1Å; R99-L109 WeakPolarHBondContact O-CA 3.16Å; R99-C110 HydrophobicContact CG-CB 4.27Å; R99-C110 PolarHBondContact N-O 3.22Å; R99-C110 PolarHBondContact O-N 3.49Å; R99-S112 PolarHBondContact NE-OG 3.05Å; R99-H121 PolarHBondContact NH2-ND1 3.38Å
100	R	93.5	Very high	90.1	Very high	5 Å²	5	44.5 Å²	44.5	2%	0.019	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	108.1	159.3	-161	179.4	-163.6	-177.2	11	107.4	D61 E63 E64 G79 V80 L81 K107 F108 L109 E254	D61-R100 IonicContact OD2-NH2 2.65Å; D61-R100 PolarHBondContact OD2-NH2 3.02Å; E63-R100 IonicContact OE1-CZ 3.03Å; E63-R100 IonicContact OE1-NE 2.68Å; E63-R100 PolarHBondContact OE1-NE 3.15Å; E63-R100 IonicContact OE1-NH2 2.65Å; E63-R100 PolarHBondContact OE1-NH2 3.44Å; E64-R100 IonicContact OE2-CZ 2.7Å; E64-R100 IonicContact OE2-NH1 3Å; E64-R100 PolarHBondContact OE2-NH1 2.81Å; E64-R100 IonicContact OE2-NH2 2.66Å; E64-R100 PolarHBondContact OE2-NH2 2.78Å; G79-R100 PolarHBondContact O-N 3.42Å; V80-R100 HydrophobicContact CG2-CB 4.28Å; L81-R100 PolarHBondContact N-O 2.92Å; R100-K107 HydrophobicContact CG-CB 4.36Å; R100-F108 CarbonylContact C-O 3.52Å; R100-F108 WeakPolarHBondContact CA-O 3.42Å; R100-L109 HydrophobicContact CB-CD2 4.06Å; R100-L109 HydrophobicContact CG-CD2 4.28Å; R100-E254 IonicContact NH1-OE1 2.65Å; R100-E254 PolarHBondContact NH1-OE1 3.34Å
101	A	92.4	Very high	90.1	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	154.6	171.9	0	0	0	0	0	109.9	K107 F108 C110	A101-K107 WeakPolarHBondContact O-CA 3.49Å; A101-F108 HydrophobicContact CB-CD2 3.99Å; A101-F108 HydrophobicContact CB-CE1 4.24Å; A101-F108 HydrophobicContact CB-CE2 3.57Å; A101-F108 HydrophobicContact CB-CG 4.5Å; A101-F108 HydrophobicContact CB-CZ 3.7Å; A101-F108 PolarHBondContact N-O 3.33Å; A101-F108 PolarHBondContact O-N 3.07Å; A101-C110 HydrophobicContact CB-CB 4.13Å
102	I	86.6	Confident	90.4	Very high	10 Å²	10	39.7 Å²	39.7	5%	0.051	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	122.4	177.5	-59.6	167.8	0	0	0	107.5	V80 F82 K107 R222 I225	V80-I102 HydrophobicContact CG1-CD1 3.46Å; V80-I102 VanDerWaalsContact CG1-CD1 3.46Å; V80-I102 HydrophobicContact CG1-CG1 4.34Å; F82-I102 HydrophobicContact CZ-CD1 4.33Å; I102-K107 HydrophobicContact CG1-CG 4.37Å; I102-R222 HydrophobicContact CG2-CB 4.06Å; I102-R222 HydrophobicContact CG2-CG 4.12Å; I102-R222 PolarHBondContact O-NH1 3Å; I102-I225 HydrophobicContact CD1-CB 4.22Å; I102-I225 HydrophobicContact CD1-CD1 3.75Å; I102-I225 HydrophobicContact CD1-CG2 3.58Å
103	T	80	Confident	90.5	Very high	31 Å²	31	33.6 Å²	33.6	19%	0.19	17%	0.167	C	C	.	.			trans	-116.2	177.4	168.5	57	0	0	0	0	110.3	D27 I28 P105 N106 F108	D27-T103 HydrophobicContact CB-CG2 4.33Å; I28-T103 HydrophobicContact CD1-CG2 4Å; I28-T103 HydrophobicContact CG1-CG2 4.34Å; T103-P105 CarbonylContact O-C 3.57Å; T103-N106 PolarHBondContact N-O 3.18Å; T103-N106 PolarHBondContact O-N 3.37Å; T103-N106 PolarHBondContact OG1-O 2.94Å; T103-F108 HydrophobicContact CG2-CE1 3.62Å; T103-F108 HydrophobicContact CG2-CZ 4.06Å
104	K	70.6	Confident	90.5	Very high	188 Å²	188	31.2 Å²	31.2	82%	0.817	15%	0.154	S	C	*	.	S	Bend	trans	-86.8	114.5	164.1	-64.9	176.9	-178	174.1	0	106.4
105	P	69.6	Low	90.5	Very high	117 Å²	117	29.2 Å²	29.2	76%	0.76	15%	0.147	S	C	*	.	S	Bend	cis	-105.3	-0.2	3.4	35.4	-24.3	0	0	0	115.4	T103	T103-P105 CarbonylContact O-C 3.57Å
106	N	81.7	Confident	90.2	Very high	104 Å²	104	37 Å²	37	56%	0.556	18%	0.18	S	C	*	.			trans	-103.5	154.8	-162.2	-64.1	-18.5	0	0	0	114	T103	T103-N106 PolarHBondContact N-O 3.18Å; T103-N106 PolarHBondContact O-N 3.37Å; T103-N106 PolarHBondContact OG1-O 2.94Å
107	K	87.1	Confident	89.9	Confident	73 Å²	73	45.3 Å²	45.3	32%	0.317	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	147.9	162.2	-54.1	172.8	-168.4	163.2	0	107.7	R100 A101 I102 E254	R100-K107 HydrophobicContact CG-CB 4.36Å; A101-K107 WeakPolarHBondContact O-CA 3.49Å; I102-K107 HydrophobicContact CG1-CG 4.37Å; K107-E254 WeakPolarHBondContact CD-OE1 3.23Å; K107-E254 VanDerWaalsContact CE-OE1 3.23Å; K107-E254 WeakPolarHBondContact CE-OE1 3.31Å; K107-E254 IonicContact NZ-OE1 3.88Å; K107-E254 PolarHBondContact NZ-OE1 3.32Å; K107-E254 IonicContact NZ-OE2 3.32Å; K107-E254 PolarHBondContact NZ-OE2 3.04Å
108	F	90.9	Very high	89.8	Confident	17 Å²	17	49.7 Å²	49.7	8%	0.075	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	151.7	174.4	56.8	-92.6	0	0	0	111.7	I28 R100 A101 T103 C110 Q123	I28-F108 HydrophobicContact CD1-CE1 4.2Å; I28-F108 HydrophobicContact CD1-CZ 3.89Å; I28-F108 HydrophobicContact CG1-CZ 4.02Å; R100-F108 CarbonylContact C-O 3.52Å; R100-F108 WeakPolarHBondContact CA-O 3.42Å; A101-F108 HydrophobicContact CB-CD2 3.99Å; A101-F108 HydrophobicContact CB-CE1 4.24Å; A101-F108 HydrophobicContact CB-CE2 3.57Å; A101-F108 HydrophobicContact CB-CG 4.5Å; A101-F108 HydrophobicContact CB-CZ 3.7Å; A101-F108 PolarHBondContact N-O 3.33Å; A101-F108 PolarHBondContact O-N 3.07Å; T103-F108 HydrophobicContact CG2-CE1 3.62Å; T103-F108 HydrophobicContact CG2-CZ 4.06Å; F108-C110 HydrophobicContact CD2-CB 4.15Å; F108-C110 HydrophobicContact CE2-CB 4.02Å; F108-Q123 HydrophobicContact CB-CG 4.47Å; F108-Q123 HydrophobicContact CD2-CB 4Å; F108-Q123 HydrophobicContact CD2-CG 3.67Å; F108-Q123 HydrophobicContact CE2-CB 3.99Å; F108-Q123 HydrophobicContact CE2-CG 4.14Å; F108-Q123 HydrophobicContact CG-CG 4.2Å
109	L	94.9	Very high	89.7	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	141.5	170.1	-65.9	-178.8	0	0	0	112.1	E63 I67 L71 Y77 R99 R100 L124 W131 I151	E63-L109 HydrophobicContact CG-CG 4.49Å; E63-L109 PolarHBondContact OE2-N 3.23Å; I67-L109 HydrophobicContact CD1-CD2 4.31Å; I67-L109 HydrophobicContact CG1-CD1 4.41Å; I67-L109 HydrophobicContact CG1-CD2 4.37Å; L71-L109 HydrophobicContact CD1-CD1 3.54Å; L71-L109 HydrophobicContact CD1-CD2 4.23Å; Y77-L109 HydrophobicContact CE2-CD2 3.85Å; R99-L109 WeakPolarHBondContact O-CA 3.16Å; R100-L109 HydrophobicContact CB-CD2 4.06Å; R100-L109 HydrophobicContact CG-CD2 4.28Å; L109-L124 HydrophobicContact CB-CB 4.28Å; L109-L124 HydrophobicContact CB-CD1 3.98Å; L109-L124 WeakPolarHBondContact O-CB 3.22Å; L109-L124 PolarHBondContact O-N 2.97Å; L109-W131 HydrophobicContact CB-CZ3 4.27Å; L109-W131 HydrophobicContact CD1-CH2 3.65Å; L109-W131 HydrophobicContact CD1-CZ2 4.16Å; L109-W131 HydrophobicContact CD1-CZ3 4.09Å; L109-W131 HydrophobicContact CG-CH2 4.4Å; L109-I151 HydrophobicContact CD1-CD1 3.61Å
110	C	94.4	Very high	89.6	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	138.2	-173	176.4	0	0	0	0	111.3	V98 R99 A101 F108 Y122	V98-C110 WeakPolarHBondContact CA-O 3.34Å; R99-C110 HydrophobicContact CG-CB 4.27Å; R99-C110 PolarHBondContact N-O 3.22Å; R99-C110 PolarHBondContact O-N 3.49Å; A101-C110 HydrophobicContact CB-CB 4.13Å; F108-C110 HydrophobicContact CD2-CB 4.15Å; F108-C110 HydrophobicContact CE2-CB 4.02Å; C110-Y122 CarbonylContact C-O 3.6Å; C110-Y122 VanDerWaalsContact CA-O 3.29Å; C110-Y122 WeakPolarHBondContact CA-O 3.32Å; C110-Y122 PolarHBondContact SG-O 3.35Å
111	I	95.6	Very high	89.7	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	125	164.7	-62.1	179.9	0	0	0	108	L97 V98 Y122 L124 L136 L154 L155 W158	L97-I111 WeakPolarHBondContact O-CA 3.37Å; V98-I111 HydrophobicContact CG2-CG1 4.36Å; I111-Y122 PolarHBondContact N-O 3.01Å; I111-Y122 PolarHBondContact O-N 3.03Å; I111-L124 HydrophobicContact CD1-CD2 3.91Å; I111-L124 HydrophobicContact CD1-CG 4.49Å; I111-L124 HydrophobicContact CG1-CD1 3.96Å; I111-L124 HydrophobicContact CG1-CD2 4.08Å; I111-L124 HydrophobicContact CG1-CG 4.11Å; I111-L136 HydrophobicContact CD1-CD2 4.13Å; I111-L154 HydrophobicContact CD1-CD2 3.71Å; I111-L155 HydrophobicContact CD1-CD2 4Å; I111-W158 HydrophobicContact CG2-CH2 3.92Å; I111-W158 HydrophobicContact CG2-CZ3 3.66Å
112	S	96.6	Very high	89.7	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	131.8	171.7	-57.3	0	0	0	0	109.5	Y96 L97 R99 F120 H121	Y96-S112 CarbonylContact C-O 3.58Å; Y96-S112 VanDerWaalsContact CA-O 3.25Å; Y96-S112 WeakPolarHBondContact CA-O 3.38Å; L97-S112 PolarHBondContact N-O 2.96Å; L97-S112 PolarHBondContact O-N 3.06Å; R99-S112 PolarHBondContact NE-OG 3.05Å; S112-F120 WeakPolarHBondContact CA-O 3.42Å; S112-H121 WeakPolarHBondContact CB-ND1 3.24Å; S112-H121 PolarHBondContact OG-ND1 3.04Å
113	V	95.6	Very high	90.1	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	133.5	-172.8	58.9	0	0	0	0	111.5	A95 I119 F120 Y122 W158	A95-V113 CarbonylContact O-C 3.58Å; A95-V113 WeakPolarHBondContact O-CA 3.49Å; A95-V113 WeakPolarHBondContact O-CG2 3.4Å; V113-I119 CarbonylContact O-C 3.54Å; V113-I119 WeakPolarHBondContact O-CA 3.26Å; V113-F120 HydrophobicContact CG1-CB 4.2Å; V113-F120 PolarHBondContact N-O 2.93Å; V113-F120 PolarHBondContact O-N 3.3Å; V113-Y122 HydrophobicContact CG1-CD2 4.02Å; V113-Y122 HydrophobicContact CG1-CE2 3.74Å; V113-W158 HydrophobicContact CB-CH2 3.96Å; V113-W158 HydrophobicContact CG1-CH2 4.3Å; V113-W158 HydrophobicContact CG2-CH2 3.85Å; V113-W158 HydrophobicContact CG2-CZ2 4.17Å
114	N	95.4	Very high	90.7	Very high	12 Å²	12	57.1 Å²	57.1	6%	0.064	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	119.6	164.5	-177.3	-18	0	0	0	108.2	L90 W92 R94 A95 K117 I119	L90-N114 HydrophobicContact CB-CB 4.15Å; L90-N114 WeakPolarHBondContact O-CB 3.24Å; L90-N114 PolarHBondContact O-ND2 3.49Å; W92-N114 WeakPolarHBondContact O-CB 3.39Å; W92-N114 PolarHBondContact O-ND2 2.95Å; R94-N114 WeakPolarHBondContact CA-O 3.43Å; R94-N114 PolarHBondContact N-O 3.44Å; A95-N114 PolarHBondContact O-N 3.34Å; N114-K117 WeakPolarHBondContact OD1-CA 3.33Å; N114-K117 PolarHBondContact OD1-N 2.98Å; N114-I119 HydrophobicContact CB-CG1 4.13Å
115	W	92.3	Very high	91.7	Very high	40 Å²	40	50.5 Å²	50.5	15%	0.152	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	118.5	179.7	-175.1	-106.4	0	0	0	111.1	R94 K117 K118 F120 F140 T162	R94-W115 HydrophobicContact CB-CZ3 4.43Å; R94-W115 HydrophobicContact CG-CE3 4.01Å; R94-W115 HydrophobicContact CG-CZ3 3.76Å; W115-K117 VanDerWaalsContact C-N 3.28Å; W115-K117 PolarHBondContact O-N 3.45Å; W115-K118 PolarHBondContact N-O 3.37Å; W115-K118 PolarHBondContact O-N 3.12Å; W115-F120 HydrophobicContact CB-CD2 4.12Å; W115-F120 HydrophobicContact CB-CE2 4.1Å; W115-F140 HydrophobicContact CB-CZ 4.44Å; W115-F140 AromaticContact CD2-CE1 3.6Å; W115-F140 HydrophobicContact CD2-CE1 3.6Å; W115-F140 AromaticContact CD2-CZ 3.61Å; W115-F140 HydrophobicContact CD2-CZ 3.61Å; W115-F140 AromaticContact CE2-CE1 3.49Å; W115-F140 VanDerWaalsContact CE2-CE1 3.49Å; W115-F140 AromaticContact CE2-CZ 3.9Å; W115-F140 AromaticContact CE3-CE1 3.75Å; W115-F140 HydrophobicContact CE3-CE1 3.75Å; W115-F140 AromaticContact CE3-CZ 3.88Å; W115-F140 HydrophobicContact CE3-CZ 3.88Å; W115-F140 HydrophobicContact CG-CE1 4.27Å; W115-F140 AromaticContact CG-CZ 3.86Å; W115-F140 HydrophobicContact CG-CZ 3.86Å; W115-F140 AromaticContact CH2-CE1 3.75Å; W115-F140 HydrophobicContact CH2-CE1 3.75Å; W115-F140 HydrophobicContact CZ2-CD1 4.36Å; W115-F140 AromaticContact CZ2-CE1 3.58Å; W115-F140 HydrophobicContact CZ2-CE1 3.58Å; W115-F140 HydrophobicContact CZ2-CZ 4.43Å; W115-F140 AromaticContact CZ3-CE1 3.82Å; W115-F140 HydrophobicContact CZ3-CE1 3.82Å; W115-F140 HydrophobicContact CZ3-CZ 4.39Å; W115-T162 HydrophobicContact CH2-CG2 3.69Å; W115-T162 HydrophobicContact CZ3-CG2 3.75Å
116	K	91.5	Very high	92.6	Very high	164 Å²	164	50.7 Å²	50.7	71%	0.713	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.6	43.8	-171.8	-57.7	-176.2	177.1	-174.7	0	111.9	D93 K118	D93-K116 WeakPolarHBondContact OD1-CA 3.48Å; D93-K116 PolarHBondContact OD1-N 3.2Å; K116-K118 PolarHBondContact O-N 3.38Å
117	K	90	Very high	92.9	Very high	190 Å²	190	48 Å²	48	83%	0.826	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.1	9.7	-176.5	-53.3	-178.4	179.3	-178.5	0	115.8	D93 N114 W115	D93-K117 PolarHBondContact OD1-N 3.07Å; N114-K117 WeakPolarHBondContact OD1-CA 3.33Å; N114-K117 PolarHBondContact OD1-N 2.98Å; W115-K117 VanDerWaalsContact C-N 3.28Å; W115-K117 PolarHBondContact O-N 3.45Å
118	K	93.9	Very high	93	Very high	92 Å²	92	53.2 Å²	53.2	40%	0.4	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	134	168.1	-179.1	172.1	179.9	-166.1	0	109.4	E29 W115 K116 F120	E29-K118 WeakPolarHBondContact OE1-CE 3.46Å; E29-K118 IonicContact OE1-NZ 3.7Å; E29-K118 PolarHBondContact OE1-NZ 2.88Å; E29-K118 IonicContact OE2-NZ 2.71Å; E29-K118 PolarHBondContact OE2-NZ 3.37Å; W115-K118 PolarHBondContact N-O 3.37Å; W115-K118 PolarHBondContact O-N 3.12Å; K116-K118 PolarHBondContact O-N 3.38Å; K118-F120 HydrophobicContact CB-CE2 3.82Å; K118-F120 HydrophobicContact CB-CZ 3.96Å; K118-F120 HydrophobicContact CD-CE1 3.79Å; K118-F120 HydrophobicContact CD-CE2 4.25Å; K118-F120 HydrophobicContact CD-CZ 3.56Å; K118-F120 HydrophobicContact CG-CD2 4.47Å; K118-F120 HydrophobicContact CG-CE1 4.18Å; K118-F120 HydrophobicContact CG-CE2 3.88Å; K118-F120 HydrophobicContact CG-CZ 3.72Å; K118-F120 VanDerWaalsContact O-CD2 3.32Å; K118-F120 WeakPolarHBondContact O-CD2 3.2Å; K118-F120 WeakPolarHBondContact O-CE2 3.31Å
119	I	94.5	Very high	92.9	Very high	40 Å²	40	57.3 Å²	57.3	21%	0.205	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	134.6	177.8	-54.8	-177.2	0	0	0	108.9	E87 L90 V113 N114	E87-I119 HydrophobicContact CB-CD1 3.88Å; E87-I119 HydrophobicContact CG-CB 4.31Å; E87-I119 HydrophobicContact CG-CD1 3.94Å; E87-I119 HydrophobicContact CG-CG2 4Å; L90-I119 HydrophobicContact CB-CD1 4.11Å; L90-I119 HydrophobicContact CD1-CG2 3.91Å; V113-I119 CarbonylContact O-C 3.54Å; V113-I119 WeakPolarHBondContact O-CA 3.26Å; N114-I119 HydrophobicContact CB-CG1 4.13Å
120	F	94.6	Very high	92.7	Very high	21 Å²	21	57.3 Å²	57.3	9%	0.092	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	143.3	179	-61.1	-86.4	0	0	0	109.8	S112 V113 W115 K118 Y122	S112-F120 WeakPolarHBondContact CA-O 3.42Å; V113-F120 HydrophobicContact CG1-CB 4.2Å; V113-F120 PolarHBondContact N-O 2.93Å; V113-F120 PolarHBondContact O-N 3.3Å; W115-F120 HydrophobicContact CB-CD2 4.12Å; W115-F120 HydrophobicContact CB-CE2 4.1Å; K118-F120 HydrophobicContact CB-CE2 3.82Å; K118-F120 HydrophobicContact CB-CZ 3.96Å; K118-F120 HydrophobicContact CD-CE1 3.79Å; K118-F120 HydrophobicContact CD-CE2 4.25Å; K118-F120 HydrophobicContact CD-CZ 3.56Å; K118-F120 HydrophobicContact CG-CD2 4.47Å; K118-F120 HydrophobicContact CG-CE1 4.18Å; K118-F120 HydrophobicContact CG-CE2 3.88Å; K118-F120 HydrophobicContact CG-CZ 3.72Å; K118-F120 VanDerWaalsContact O-CD2 3.32Å; K118-F120 WeakPolarHBondContact O-CD2 3.2Å; K118-F120 WeakPolarHBondContact O-CE2 3.31Å; F120-Y122 HydrophobicContact CB-CD2 4.32Å; F120-Y122 HydrophobicContact CB-CE1 4.24Å; F120-Y122 HydrophobicContact CB-CE2 3.63Å; F120-Y122 HydrophobicContact CG-CE2 4.35Å; F120-Y122 AromaticContact CG-CZ 3.99Å; F120-Y122 WeakPolarHBondContact CG-OH 3.34Å
121	H	94.7	Very high	92.7	Very high	29 Å²	29	57.8 Å²	57.8	13%	0.134	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	113.6	175.9	-55.1	-69.2	0	0	0	108.9	S26 E87 R99 S112	S26-H121 PolarHBondContact O-CD2 3.46Å; E87-H121 IonicContact OE1-NE2 3.43Å; R99-H121 PolarHBondContact NH2-ND1 3.38Å; S112-H121 WeakPolarHBondContact CB-ND1 3.24Å; S112-H121 PolarHBondContact OG-ND1 3.04Å
122	Y	93.8	Very high	92.5	Very high	17 Å²	17	58.3 Å²	58.3	7%	0.067	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	114.7	-177.7	-59.9	-59.5	0	0	0	110.1	C110 I111 V113 F120 C133 K135 L136 K139	C110-Y122 CarbonylContact C-O 3.6Å; C110-Y122 VanDerWaalsContact CA-O 3.29Å; C110-Y122 WeakPolarHBondContact CA-O 3.32Å; C110-Y122 PolarHBondContact SG-O 3.35Å; I111-Y122 PolarHBondContact N-O 3.01Å; I111-Y122 PolarHBondContact O-N 3.03Å; V113-Y122 HydrophobicContact CG1-CD2 4.02Å; V113-Y122 HydrophobicContact CG1-CE2 3.74Å; F120-Y122 HydrophobicContact CB-CD2 4.32Å; F120-Y122 HydrophobicContact CB-CE1 4.24Å; F120-Y122 HydrophobicContact CB-CE2 3.63Å; F120-Y122 HydrophobicContact CG-CE2 4.35Å; F120-Y122 AromaticContact CG-CZ 3.99Å; F120-Y122 WeakPolarHBondContact CG-OH 3.34Å; Y122-C133 WeakPolarHBondContact CB-SG 3.26Å; Y122-K135 HydrophobicContact CD1-CB 3.51Å; Y122-K135 HydrophobicContact CD1-CD 4.46Å; Y122-K135 HydrophobicContact CE1-CB 3.86Å; Y122-K135 HydrophobicContact CG-CB 4.46Å; Y122-L136 HydrophobicContact CD2-CB 4.5Å; Y122-L136 HydrophobicContact CD2-CD1 3.61Å; Y122-L136 HydrophobicContact CE2-CD1 3.81Å; Y122-K139 WeakPolarHBondContact OH-CD 3.3Å; Y122-K139 VanDerWaalsContact OH-CG 3.29Å; Y122-K139 WeakPolarHBondContact OH-CG 3.31Å
123	Q	93.7	Very high	92.1	Very high	88 Å²	88	58.5 Å²	58.5	41%	0.411	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	141.7	172.2	177.2	177	-47.1	0	0	110.4	F108 D125 C133	F108-Q123 HydrophobicContact CB-CG 4.47Å; F108-Q123 HydrophobicContact CD2-CB 4Å; F108-Q123 HydrophobicContact CD2-CG 3.67Å; F108-Q123 HydrophobicContact CE2-CB 3.99Å; F108-Q123 HydrophobicContact CE2-CG 4.14Å; F108-Q123 HydrophobicContact CG-CG 4.2Å; Q123-D125 PolarHBondContact NE2-OD1 3.35Å; Q123-C133 PolarHBondContact O-SG 3.46Å
124	L	93.2	Very high	91.7	Very high	7 Å²	7	64.3 Å²	64.3	4%	0.037	30%	0.297	C	S	.	.			trans	-96.1	131.6	171.5	-72.5	163.9	0	0	0	109.4	V98 L109 I111 W131 C133 I151 L154	V98-L124 HydrophobicContact CG1-CD1 4.27Å; L109-L124 HydrophobicContact CB-CB 4.28Å; L109-L124 HydrophobicContact CB-CD1 3.98Å; L109-L124 WeakPolarHBondContact O-CB 3.22Å; L109-L124 PolarHBondContact O-N 2.97Å; I111-L124 HydrophobicContact CD1-CD2 3.91Å; I111-L124 HydrophobicContact CD1-CG 4.49Å; I111-L124 HydrophobicContact CG1-CD1 3.96Å; I111-L124 HydrophobicContact CG1-CD2 4.08Å; I111-L124 HydrophobicContact CG1-CG 4.11Å; L124-W131 HydrophobicContact CB-CE3 3.87Å; L124-W131 HydrophobicContact CB-CZ3 4.01Å; L124-C133 HydrophobicContact CD2-CB 3.91Å; L124-I151 HydrophobicContact CD1-CD1 3.77Å; L124-I151 HydrophobicContact CD1-CG1 4.21Å; L124-I151 HydrophobicContact CD1-CG2 4.44Å; L124-L154 HydrophobicContact CD2-CD1 4.11Å
125	D	91.5	Very high	91.4	Very high	50 Å²	50	68.4 Å²	68.4	27%	0.267	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	129.7	-179	-60.4	-39.9	0	0	0	110.3	Q123 W131 C132 R147	Q123-D125 PolarHBondContact NE2-OD1 3.35Å; D125-W131 WeakPolarHBondContact O-CA 3.47Å; D125-C132 PolarHBondContact N-O 3.32Å; D125-C132 PolarHBondContact O-N 2.89Å; D125-R147 PolarHBondContact O-NH1 3.49Å; D125-R147 VanDerWaalsContact O-NH1 3.16Å
126	F	89.7	Confident	91.1	Very high	121 Å²	121	66.5 Å²	66.5	53%	0.531	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	144.4	177.3	-179	-105.5	0	0	0	111.6	W131	F126-W131 HydrophobicContact CB-CD2 4.01Å; F126-W131 HydrophobicContact CB-CE3 3.84Å; F126-W131 HydrophobicContact CB-CH2 3.85Å; F126-W131 HydrophobicContact CB-CZ2 4.01Å; F126-W131 HydrophobicContact CB-CZ3 3.78Å; F126-W131 AromaticContact CD2-CD1 3.72Å; F126-W131 AromaticContact CD2-CD2 3.81Å; F126-W131 HydrophobicContact CD2-CD2 3.81Å; F126-W131 AromaticContact CD2-CE2 3.48Å; F126-W131 VanDerWaalsContact CD2-CE2 3.48Å; F126-W131 AromaticContact CD2-CG 3.97Å; F126-W131 HydrophobicContact CD2-CG 3.97Å; F126-W131 AromaticContact CD2-CZ2 3.95Å; F126-W131 HydrophobicContact CD2-CZ2 3.95Å; F126-W131 AromaticContact CD2-NE1 3.4Å; F126-W131 AromaticContact CE2-NE1 3.74Å; F126-W131 HydrophobicContact CG-CD2 4.32Å; F126-W131 HydrophobicContact CG-CH2 4.38Å; F126-W131 HydrophobicContact CG-CZ2 4.06Å
127	N	88.1	Confident	90.8	Very high	46 Å²	46	62.5 Å²	62.5	25%	0.246	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	-168.4	163	77	-25.2	0	0	0	108.6	D129 G130 R147	N127-D129 VanDerWaalsContact C-N 3.29Å; N127-D129 PolarHBondContact ND2-OD2 3.15Å; N127-D129 PolarHBondContact O-N 3.42Å; N127-D129 PolarHBondContact OD1-N 2.73Å; N127-D129 VanDerWaalsContact OD1-N 3.08Å; N127-D129 PolarHBondContact OD1-OD2 2.78Å; N127-G130 PolarHBondContact N-O 3.3Å; N127-G130 PolarHBondContact O-N 2.72Å; N127-G130 PolarHBondContact OD1-N 3.3Å; N127-G130 PolarHBondContact OD1-O 3.03Å; N127-R147 PolarHBondContact ND2-NE 3.28Å; N127-R147 WeakPolarHBondContact OD1-CD 3.37Å; N127-R147 PolarHBondContact OD1-NE 3.12Å; N127-R147 PolarHBondContact OD1-NH1 3.21Å; N127-R147 VanDerWaalsContact OD1-NH1 3.13Å
128	E	88.4	Confident	90.7	Very high	183 Å²	183	59.7 Å²	59.7	86%	0.855	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	-32.1	176.8	64.6	-159.3	144.6	0	0	115.6	G130	E128-G130 VanDerWaalsContact C-N 3.29Å; E128-G130 PolarHBondContact O-N 2.84Å
129	D	88.4	Confident	90.3	Very high	103 Å²	103	59.2 Å²	59.2	55%	0.551	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	-0.7	175.8	-26.3	-81.2	0	0	0	113.6	N127 R147	N127-D129 VanDerWaalsContact C-N 3.29Å; N127-D129 PolarHBondContact ND2-OD2 3.15Å; N127-D129 PolarHBondContact O-N 3.42Å; N127-D129 PolarHBondContact OD1-N 2.73Å; N127-D129 VanDerWaalsContact OD1-N 3.08Å; N127-D129 PolarHBondContact OD1-OD2 2.78Å; D129-R147 HydrophobicContact CB-CB 4.21Å; D129-R147 WeakPolarHBondContact O-CB 3.09Å; D129-R147 IonicContact OD2-NE 2.66Å
130	G	91.1	Very high	89.9	Confident	1 Å²	1	57.7 Å²	57.7	1%	0.01	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	104.3	-159.6	177.6	0	0	0	0	0	115.3	N127 E128 R147 F148	N127-G130 PolarHBondContact N-O 3.3Å; N127-G130 PolarHBondContact O-N 2.72Å; N127-G130 PolarHBondContact OD1-N 3.3Å; N127-G130 PolarHBondContact OD1-O 3.03Å; E128-G130 VanDerWaalsContact C-N 3.29Å; E128-G130 PolarHBondContact O-N 2.84Å; G130-R147 PolarHBondContact O-NH1 2.96Å; G130-F148 CarbonylContact C-O 3.6Å
131	W	93.3	Very high	89.4	Confident	10 Å²	10	61 Å²	61	4%	0.038	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	136.2	-169.8	-65.6	89.3	0	0	0	113.1	Y66 L109 L124 D125 F126 R147 F148 I151	Y66-W131 AromaticContact CD1-CZ2 3.65Å; Y66-W131 HydrophobicContact CD1-CZ2 3.65Å; Y66-W131 HydrophobicContact CD2-CZ2 4.4Å; Y66-W131 AromaticContact CD2-NE1 3.71Å; Y66-W131 AromaticContact CE1-CE2 3.76Å; Y66-W131 AromaticContact CE1-CZ2 3.78Å; Y66-W131 HydrophobicContact CE1-CZ2 3.78Å; Y66-W131 AromaticContact CE1-NE1 3.59Å; Y66-W131 AromaticContact CE2-CD1 3.94Å; Y66-W131 HydrophobicContact CE2-CZ2 4.49Å; Y66-W131 AromaticContact CE2-NE1 3.14Å; Y66-W131 HydrophobicContact CG-CZ2 4.02Å; Y66-W131 AromaticContact CZ-CD1 3.81Å; Y66-W131 AromaticContact CZ-CE2 3.77Å; Y66-W131 AromaticContact CZ-NE1 3.1Å; Y66-W131 PolarHBondContact OH-NE1 3.5Å; L109-W131 HydrophobicContact CB-CZ3 4.27Å; L109-W131 HydrophobicContact CD1-CH2 3.65Å; L109-W131 HydrophobicContact CD1-CZ2 4.16Å; L109-W131 HydrophobicContact CD1-CZ3 4.09Å; L109-W131 HydrophobicContact CG-CH2 4.4Å; L124-W131 HydrophobicContact CB-CE3 3.87Å; L124-W131 HydrophobicContact CB-CZ3 4.01Å; D125-W131 WeakPolarHBondContact O-CA 3.47Å; F126-W131 HydrophobicContact CB-CD2 4.01Å; F126-W131 HydrophobicContact CB-CE3 3.84Å; F126-W131 HydrophobicContact CB-CH2 3.85Å; F126-W131 HydrophobicContact CB-CZ2 4.01Å; F126-W131 HydrophobicContact CB-CZ3 3.78Å; F126-W131 AromaticContact CD2-CD1 3.72Å; F126-W131 AromaticContact CD2-CD2 3.81Å; F126-W131 HydrophobicContact CD2-CD2 3.81Å; F126-W131 AromaticContact CD2-CE2 3.48Å; F126-W131 VanDerWaalsContact CD2-CE2 3.48Å; F126-W131 AromaticContact CD2-CG 3.97Å; F126-W131 HydrophobicContact CD2-CG 3.97Å; F126-W131 AromaticContact CD2-CZ2 3.95Å; F126-W131 HydrophobicContact CD2-CZ2 3.95Å; F126-W131 AromaticContact CD2-NE1 3.4Å; F126-W131 AromaticContact CE2-NE1 3.74Å; F126-W131 HydrophobicContact CG-CD2 4.32Å; F126-W131 HydrophobicContact CG-CH2 4.38Å; F126-W131 HydrophobicContact CG-CZ2 4.06Å; W131-R147 CarbonylContact O-C 3.55Å; W131-R147 WeakPolarHBondContact O-CA 3.41Å; W131-F148 PolarHBondContact N-O 3.21Å; W131-F148 PolarHBondContact O-N 2.95Å; W131-I151 HydrophobicContact CB-CG1 4.09Å; W131-I151 HydrophobicContact CD2-CD1 3.89Å; W131-I151 HydrophobicContact CD2-CG1 3.73Å; W131-I151 HydrophobicContact CE3-CD1 4.01Å; W131-I151 HydrophobicContact CE3-CG1 4.15Å; W131-I151 HydrophobicContact CG-CD1 4.38Å; W131-I151 HydrophobicContact CG-CG1 3.69Å; W131-I151 HydrophobicContact CZ2-CD1 4.41Å; W131-I151 HydrophobicContact CZ3-CD1 4.32Å
132	C	91.5	Very high	88.9	Confident	11 Å²	11	64.4 Å²	64.4	7%	0.074	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	175.8	165.3	69.1	0	0	0	0	112.3	D125 R147	D125-C132 PolarHBondContact N-O 3.32Å; D125-C132 PolarHBondContact O-N 2.89Å; C132-R147 HydrophobicContact CB-CG 3.78Å; C132-R147 PolarHBondContact SG-NH1 3.05Å; C132-R147 VanDerWaalsContact SG-NH1 3.42Å
133	C	89.2	Confident	88.5	Confident	4 Å²	4	64 Å²	64	3%	0.027	31%	0.312	C	S	.	.			trans	-145.3	88.4	176.4	-161.9	0	0	0	0	109.2	Y122 Q123 L124 K135 L136 Y137 L154	Y122-C133 WeakPolarHBondContact CB-SG 3.26Å; Q123-C133 PolarHBondContact O-SG 3.46Å; L124-C133 HydrophobicContact CD2-CB 3.91Å; C133-K135 PolarHBondContact O-N 2.82Å; C133-L136 HydrophobicContact CB-CB 3.74Å; C133-L136 HydrophobicContact CB-CD2 4.31Å; C133-L136 WeakPolarHBondContact O-CB 3.37Å; C133-L136 PolarHBondContact O-N 2.65Å; C133-L136 VanDerWaalsContact O-N 3.07Å; C133-L136 VanDerWaalsContact SG-CB 3.59Å; C133-Y137 PolarHBondContact O-N 2.88Å; C133-L154 HydrophobicContact CB-CD1 4.39Å
134	K	86.3	Confident	88	Confident	122 Å²	122	62.2 Å²	62.2	53%	0.53	31%	0.309	S	S	.	.	H	α-helix	trans	-58.3	-49	-172	-64.4	-180	-178.7	177.2	0	112.5	L136 Y137 E138	K134-L136 PolarHBondContact O-N 2.98Å; K134-Y137 WeakPolarHBondContact O-CB 3.3Å; K134-Y137 PolarHBondContact O-N 2.92Å; K134-E138 WeakPolarHBondContact O-CG 3.43Å; K134-E138 PolarHBondContact O-N 3.3Å
135	K	88.9	Confident	87.7	Confident	98 Å²	98	67 Å²	67	43%	0.426	33%	0.334	S	S	.	.	H	α-helix	trans	-60.2	-26	176.5	-66.1	-169.4	174.8	-171.3	0	113.8	Y122 C133 K139	Y122-K135 HydrophobicContact CD1-CB 3.51Å; Y122-K135 HydrophobicContact CD1-CD 4.46Å; Y122-K135 HydrophobicContact CE1-CB 3.86Å; Y122-K135 HydrophobicContact CG-CB 4.46Å; C133-K135 PolarHBondContact O-N 2.82Å; K135-K139 WeakPolarHBondContact O-CB 3.28Å; K135-K139 PolarHBondContact O-N 3.2Å
136	L	87.5	Confident	87.6	Confident	0 Å²	0	72 Å²	72	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-74.2	-42	174.3	-168.8	71.7	0	0	0	111	I111 Y122 C133 K134 K139 F140 M143 L154 W158	I111-L136 HydrophobicContact CD1-CD2 4.13Å; Y122-L136 HydrophobicContact CD2-CB 4.5Å; Y122-L136 HydrophobicContact CD2-CD1 3.61Å; Y122-L136 HydrophobicContact CE2-CD1 3.81Å; C133-L136 HydrophobicContact CB-CB 3.74Å; C133-L136 HydrophobicContact CB-CD2 4.31Å; C133-L136 WeakPolarHBondContact O-CB 3.37Å; C133-L136 PolarHBondContact O-N 2.65Å; C133-L136 VanDerWaalsContact O-N 3.07Å; C133-L136 VanDerWaalsContact SG-CB 3.59Å; K134-L136 PolarHBondContact O-N 2.98Å; L136-K139 PolarHBondContact O-N 2.66Å; L136-F140 HydrophobicContact CD1-CD2 3.58Å; L136-F140 HydrophobicContact CD1-CE2 3.62Å; L136-F140 HydrophobicContact CG-CD2 4.04Å; L136-F140 WeakPolarHBondContact O-CB 3.49Å; L136-F140 WeakPolarHBondContact O-CD2 3.25Å; L136-F140 PolarHBondContact O-N 2.85Å; L136-M143 HydrophobicContact CD2-CE 4.23Å; L136-L154 HydrophobicContact CD2-CD2 4.18Å; L136-W158 HydrophobicContact CD1-CH2 4.02Å; L136-W158 HydrophobicContact CD1-CZ2 3.62Å; L136-W158 HydrophobicContact CD2-CD2 4.01Å; L136-W158 HydrophobicContact CD2-CE3 4.22Å; L136-W158 HydrophobicContact CD2-CG 4.45Å; L136-W158 HydrophobicContact CD2-CZ2 4.42Å; L136-W158 HydrophobicContact CG-CZ2 4.47Å
137	Y	84.5	Confident	87.7	Confident	80 Å²	80	69.8 Å²	69.8	31%	0.314	34%	0.338	S	S	.	.	H	α-helix	trans	-62.5	-44	172.8	169.1	-107.3	0	0	0	112	C133 K134 K139 F140 P141 M143 N145	C133-Y137 PolarHBondContact O-N 2.88Å; K134-Y137 WeakPolarHBondContact O-CB 3.3Å; K134-Y137 PolarHBondContact O-N 2.92Å; Y137-K139 PolarHBondContact O-N 2.8Å; Y137-F140 CarbonylContact O-C 3.08Å; Y137-F140 PolarHBondContact O-N 2.59Å; Y137-F140 VanDerWaalsContact O-N 3.1Å; Y137-P141 HydrophobicContact CE2-CB 4.49Å; Y137-P141 WeakPolarHBondContact CE2-O 3.43Å; Y137-P141 WeakPolarHBondContact O-CA 3.34Å; Y137-P141 VanDerWaalsContact O-N 3.15Å; Y137-M143 VanDerWaalsContact CD2-O 3.23Å; Y137-M143 WeakPolarHBondContact CD2-O 3.37Å; Y137-N145 HydrophobicContact CD1-CB 4Å; Y137-N145 HydrophobicContact CD2-CB 3.69Å; Y137-N145 HydrophobicContact CE1-CB 3.97Å; Y137-N145 WeakPolarHBondContact CE1-ND2 3.08Å; Y137-N145 HydrophobicContact CE2-CB 3.66Å; Y137-N145 HydrophobicContact CG-CB 3.85Å
138	E	87.4	Confident	88	Confident	130 Å²	130	68 Å²	68	61%	0.607	33%	0.328	S	S	*	.	H	α-helix	trans	-56	-35.8	174.3	-69	157.7	-154.8	0	0	112.3	K134	K134-E138 WeakPolarHBondContact O-CG 3.43Å; K134-E138 PolarHBondContact O-N 3.3Å
139	K	85.8	Confident	88.1	Confident	83 Å²	83	64.4 Å²	64.4	36%	0.361	31%	0.314	S	S	.	.	H	α-helix	trans	-80.2	-32	176.8	-167.5	69.1	166.8	-169.2	0	113.6	Y122 K135 L136 Y137	Y122-K139 WeakPolarHBondContact OH-CD 3.3Å; Y122-K139 VanDerWaalsContact OH-CG 3.29Å; Y122-K139 WeakPolarHBondContact OH-CG 3.31Å; K135-K139 WeakPolarHBondContact O-CB 3.28Å; K135-K139 PolarHBondContact O-N 3.2Å; L136-K139 PolarHBondContact O-N 2.66Å; Y137-K139 PolarHBondContact O-N 2.8Å
140	F	86	Confident	88.4	Confident	8 Å²	8	61.9 Å²	61.9	4%	0.035	30%	0.298	C	S	.	.			trans	-130.5	75	-174.9	-59	-85.1	0	0	0	110.5	W115 L136 Y137 T142 M143 W158 T162	W115-F140 HydrophobicContact CB-CZ 4.44Å; W115-F140 AromaticContact CD2-CE1 3.6Å; W115-F140 HydrophobicContact CD2-CE1 3.6Å; W115-F140 AromaticContact CD2-CZ 3.61Å; W115-F140 HydrophobicContact CD2-CZ 3.61Å; W115-F140 AromaticContact CE2-CE1 3.49Å; W115-F140 VanDerWaalsContact CE2-CE1 3.49Å; W115-F140 AromaticContact CE2-CZ 3.9Å; W115-F140 AromaticContact CE3-CE1 3.75Å; W115-F140 HydrophobicContact CE3-CE1 3.75Å; W115-F140 AromaticContact CE3-CZ 3.88Å; W115-F140 HydrophobicContact CE3-CZ 3.88Å; W115-F140 HydrophobicContact CG-CE1 4.27Å; W115-F140 AromaticContact CG-CZ 3.86Å; W115-F140 HydrophobicContact CG-CZ 3.86Å; W115-F140 AromaticContact CH2-CE1 3.75Å; W115-F140 HydrophobicContact CH2-CE1 3.75Å; W115-F140 HydrophobicContact CZ2-CD1 4.36Å; W115-F140 AromaticContact CZ2-CE1 3.58Å; W115-F140 HydrophobicContact CZ2-CE1 3.58Å; W115-F140 HydrophobicContact CZ2-CZ 4.43Å; W115-F140 AromaticContact CZ3-CE1 3.82Å; W115-F140 HydrophobicContact CZ3-CE1 3.82Å; W115-F140 HydrophobicContact CZ3-CZ 4.39Å; L136-F140 HydrophobicContact CD1-CD2 3.58Å; L136-F140 HydrophobicContact CD1-CE2 3.62Å; L136-F140 HydrophobicContact CG-CD2 4.04Å; L136-F140 WeakPolarHBondContact O-CB 3.49Å; L136-F140 WeakPolarHBondContact O-CD2 3.25Å; L136-F140 PolarHBondContact O-N 2.85Å; Y137-F140 CarbonylContact O-C 3.08Å; Y137-F140 PolarHBondContact O-N 2.59Å; Y137-F140 VanDerWaalsContact O-N 3.1Å; F140-T142 PolarHBondContact O-N 2.94Å; F140-M143 HydrophobicContact CB-CB 4.4Å; F140-M143 VanDerWaalsContact O-CB 3.25Å; F140-M143 WeakPolarHBondContact O-CB 3.47Å; F140-M143 PolarHBondContact O-N 2.78Å; F140-W158 HydrophobicContact CD2-CZ2 4.34Å; F140-W158 AromaticContact CD2-NE1 3.83Å; F140-W158 AromaticContact CE2-CZ2 3.86Å; F140-W158 HydrophobicContact CE2-CZ2 3.86Å; F140-W158 AromaticContact CG-NE1 3.82Å; F140-W158 HydrophobicContact CZ-CZ2 4.1Å; F140-T162 HydrophobicContact CD1-CG2 4.05Å; F140-T162 WeakPolarHBondContact CD1-OG1 3.11Å; F140-T162 HydrophobicContact CE1-CG2 3.97Å
141	P	85.3	Confident	88.5	Confident	91 Å²	91	61.8 Å²	61.8	59%	0.591	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-11.3	-172.9	-24.8	36.1	0	0	0	115.3	Y137 M143	Y137-P141 HydrophobicContact CE2-CB 4.49Å; Y137-P141 WeakPolarHBondContact CE2-O 3.43Å; Y137-P141 WeakPolarHBondContact O-CA 3.34Å; Y137-P141 VanDerWaalsContact O-N 3.15Å; P141-M143 VanDerWaalsContact C-N 3.27Å
142	T	84.3	Confident	88.5	Confident	100 Å²	100	66.2 Å²	66.2	61%	0.613	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-15.9	171.1	52.1	0	0	0	0	113.1	F140 A161	F140-T142 PolarHBondContact O-N 2.94Å; T142-A161 VanDerWaalsContact O-CB 3.32Å; T142-A161 WeakPolarHBondContact O-CB 3.49Å; T142-A161 PolarHBondContact OG1-O 3.32Å
143	M	84.9	Confident	88.6	Confident	7 Å²	7	69.3 Å²	69.3	3%	0.034	33%	0.328	C	S	.	.	S	Bend	trans	-77.2	137.1	-179.8	-156.4	-80.8	-77.4	0	0	110.1	L136 Y137 F140 P141 N145 F148 W158 A161	L136-M143 HydrophobicContact CD2-CE 4.23Å; Y137-M143 VanDerWaalsContact CD2-O 3.23Å; Y137-M143 WeakPolarHBondContact CD2-O 3.37Å; F140-M143 HydrophobicContact CB-CB 4.4Å; F140-M143 VanDerWaalsContact O-CB 3.25Å; F140-M143 WeakPolarHBondContact O-CB 3.47Å; F140-M143 PolarHBondContact O-N 2.78Å; P141-M143 VanDerWaalsContact C-N 3.27Å; M143-N145 PolarHBondContact O-N 3.22Å; M143-F148 HydrophobicContact SD-CE2 4.18Å; M143-F148 HydrophobicContact SD-CZ 4.25Å; M143-W158 HydrophobicContact CG-CB 4.24Å; M143-W158 HydrophobicContact CG-CG 4.37Å; M143-A161 HydrophobicContact CB-CB 4.14Å; M143-A161 HydrophobicContact CG-CB 4.35Å
144	P	82.9	Confident	88.8	Confident	51 Å²	51	69.1 Å²	69.1	33%	0.331	33%	0.327	S	S	.	.			trans	-57.4	113.4	179.4	-27.1	35.2	0	0	0	113	R146 F148	P144-R146 HydrophobicContact CB-CG 4.12Å; P144-R146 PolarHBondContact O-N 3.09Å; P144-F148 HydrophobicContact CB-CZ 4.3Å
145	N	85.9	Confident	89	Confident	108 Å²	108	63.8 Å²	63.8	58%	0.578	30%	0.304	S	S	*	.			trans	-73.2	76	174	-169.9	12.5	0	0	0	111.3	Y137 M143	Y137-N145 HydrophobicContact CD1-CB 4Å; Y137-N145 HydrophobicContact CD2-CB 3.69Å; Y137-N145 HydrophobicContact CE1-CB 3.97Å; Y137-N145 WeakPolarHBondContact CE1-ND2 3.08Å; Y137-N145 HydrophobicContact CE2-CB 3.66Å; Y137-N145 HydrophobicContact CG-CB 3.85Å; M143-N145 PolarHBondContact O-N 3.22Å
146	R	90	Very high	89.1	Confident	156 Å²	156	63.8 Å²	63.8	59%	0.589	31%	0.305	S	S	*	.	S	Bend	trans	-145.7	167	176.7	65.8	178.8	-177.4	-173.6	0.2	110.6	P144 F148	P144-R146 HydrophobicContact CB-CG 4.12Å; P144-R146 PolarHBondContact O-N 3.09Å; R146-F148 HydrophobicContact CG-CD2 4.36Å; R146-F148 HydrophobicContact CG-CE2 3.93Å; R146-F148 HydrophobicContact CG-CZ 4.04Å; R146-F148 WeakPolarHBondContact O-CD2 3.48Å
147	R	92.6	Very high	89.3	Confident	74 Å²	74	64.4 Å²	64.4	28%	0.279	31%	0.31	S	S	.	.			trans	-81.8	150.3	164.8	-69.8	173.2	173.6	-72.5	4.4	110.2	D125 N127 D129 G130 W131 C132	D125-R147 PolarHBondContact O-NH1 3.49Å; D125-R147 VanDerWaalsContact O-NH1 3.16Å; N127-R147 PolarHBondContact ND2-NE 3.28Å; N127-R147 WeakPolarHBondContact OD1-CD 3.37Å; N127-R147 PolarHBondContact OD1-NE 3.12Å; N127-R147 PolarHBondContact OD1-NH1 3.21Å; N127-R147 VanDerWaalsContact OD1-NH1 3.13Å; D129-R147 HydrophobicContact CB-CB 4.21Å; D129-R147 WeakPolarHBondContact O-CB 3.09Å; D129-R147 IonicContact OD2-NE 2.66Å; G130-R147 PolarHBondContact O-NH1 2.96Å; W131-R147 CarbonylContact O-C 3.55Å; W131-R147 WeakPolarHBondContact O-CA 3.41Å; C132-R147 HydrophobicContact CB-CG 3.78Å; C132-R147 PolarHBondContact SG-NH1 3.05Å; C132-R147 VanDerWaalsContact SG-NH1 3.42Å
148	F	92.9	Very high	89.5	Confident	8 Å²	8	60.6 Å²	60.6	4%	0.035	30%	0.295	C	S	.	.	B	Isolated β-bridge	trans	-123.9	132.1	180	-66.3	-97.9	0	0	0	108.1	G130 W131 M143 P144 R146 H150 Q153 L154 A157	G130-F148 CarbonylContact C-O 3.6Å; W131-F148 PolarHBondContact N-O 3.21Å; W131-F148 PolarHBondContact O-N 2.95Å; M143-F148 HydrophobicContact SD-CE2 4.18Å; M143-F148 HydrophobicContact SD-CZ 4.25Å; P144-F148 HydrophobicContact CB-CZ 4.3Å; R146-F148 HydrophobicContact CG-CD2 4.36Å; R146-F148 HydrophobicContact CG-CE2 3.93Å; R146-F148 HydrophobicContact CG-CZ 4.04Å; R146-F148 WeakPolarHBondContact O-CD2 3.48Å; F148-H150 PolarHBondContact O-N 2.99Å; F148-H150 VanDerWaalsContact O-N 3.13Å; F148-Q153 HydrophobicContact CB-CB 4.24Å; F148-Q153 HydrophobicContact CD1-CB 3.76Å; F148-Q153 HydrophobicContact CG-CB 4.44Å; F148-L154 HydrophobicContact CB-CB 4.26Å; F148-L154 HydrophobicContact CD1-CB 4.42Å; F148-L154 HydrophobicContact CD2-CB 3.8Å; F148-L154 HydrophobicContact CD2-CD1 4.22Å; F148-L154 HydrophobicContact CD2-CG 4.07Å; F148-L154 HydrophobicContact CE2-CB 4.17Å; F148-L154 HydrophobicContact CE2-CG 4.15Å; F148-L154 HydrophobicContact CG-CB 3.93Å; F148-A157 HydrophobicContact CE1-CB 3.7Å; F148-A157 HydrophobicContact CZ-CB 3.81Å
149	L	92.2	Very high	89.5	Confident	108 Å²	108	56.4 Å²	56.4	57%	0.565	28%	0.28	S	S	*	.	S	Bend	trans	-56.3	-35.7	-178.2	-174.2	64.9	0	0	0	111.8	Q153	L149-Q153 VanDerWaalsContact N-OE1 3.09Å
150	H	93.5	Very high	89.5	Confident	49 Å²	49	60 Å²	60	23%	0.227	30%	0.298	C	S	.	.	S	Bend	trans	-131.1	144.6	173.1	-51.4	-74.9	0	0	0	112.8	Y66 H70 F148 R152 Q153	Y66-H150 AromaticContact CE2-ND1 3.74Å; Y66-H150 VanDerWaalsContact OH-CA 3.32Å; Y66-H150 WeakPolarHBondContact OH-CA 3.41Å; H70-H150 AromaticContact CD2-CE1 3.42Å; H70-H150 PolarHBondContact CD2-CE1 3.35Å; H70-H150 VanDerWaalsContact CD2-CE1 3.42Å; H70-H150 AromaticContact CD2-ND1 3.28Å; H70-H150 PolarHBondContact CD2-ND1 3.26Å; H70-H150 VanDerWaalsContact CD2-ND1 3.28Å; H70-H150 AromaticContact CE1-CE1 3.86Å; H70-H150 AromaticContact CE1-ND1 3.92Å; H70-H150 AromaticContact CG-ND1 3.68Å; H70-H150 AromaticContact NE2-CE1 3.17Å; H70-H150 PolarHBondContact NE2-CE1 3.06Å; H70-H150 AromaticContact NE2-ND1 3.46Å; H70-H150 PolarHBondContact NE2-ND1 3.22Å; F148-H150 PolarHBondContact O-N 2.99Å; F148-H150 VanDerWaalsContact O-N 3.13Å; H150-R152 HydrophobicContact CB-CB 4.49Å; H150-R152 PolarHBondContact O-N 2.83Å; H150-R152 VanDerWaalsContact O-N 3.09Å; H150-Q153 VanDerWaalsContact N-OE1 3.08Å; H150-Q153 WeakPolarHBondContact O-CB 3.41Å; H150-Q153 PolarHBondContact O-N 3.22Å
151	I	93.8	Very high	89.4	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-49.7	-36.1	171.9	-65.8	169.3	0	0	0	111.8	Y66 L71 V98 L109 L124 W131 Q153 L154 L155	Y66-I151 HydrophobicContact CE1-CD1 3.96Å; Y66-I151 HydrophobicContact CE1-CG1 4.42Å; Y66-I151 PolarHBondContact OH-N 2.95Å; L71-I151 HydrophobicContact CD1-CD1 4.08Å; L71-I151 HydrophobicContact CD2-CB 4.18Å; L71-I151 HydrophobicContact CD2-CD1 4.19Å; L71-I151 HydrophobicContact CD2-CG2 4.49Å; V98-I151 HydrophobicContact CG2-CG2 4.45Å; L109-I151 HydrophobicContact CD1-CD1 3.61Å; L124-I151 HydrophobicContact CD1-CD1 3.77Å; L124-I151 HydrophobicContact CD1-CG1 4.21Å; L124-I151 HydrophobicContact CD1-CG2 4.44Å; W131-I151 HydrophobicContact CB-CG1 4.09Å; W131-I151 HydrophobicContact CD2-CD1 3.89Å; W131-I151 HydrophobicContact CD2-CG1 3.73Å; W131-I151 HydrophobicContact CE3-CD1 4.01Å; W131-I151 HydrophobicContact CE3-CG1 4.15Å; W131-I151 HydrophobicContact CG-CD1 4.38Å; W131-I151 HydrophobicContact CG-CG1 3.69Å; W131-I151 HydrophobicContact CZ2-CD1 4.41Å; W131-I151 HydrophobicContact CZ3-CD1 4.32Å; I151-Q153 VanDerWaalsContact C-N 3.28Å; I151-Q153 PolarHBondContact O-N 3.05Å; I151-L154 WeakPolarHBondContact O-CB 3.47Å; I151-L154 PolarHBondContact O-N 2.95Å; I151-L154 VanDerWaalsContact O-N 3.13Å; I151-L155 HydrophobicContact CG2-CD1 4.01Å; I151-L155 HydrophobicContact CG2-CG 4.13Å; I151-L155 WeakPolarHBondContact O-CG 3.46Å; I151-L155 PolarHBondContact O-N 3.14Å
152	R	93.2	Very high	89.5	Confident	103 Å²	103	56.7 Å²	56.7	39%	0.389	28%	0.279	S	S	.	.	H	α-helix	trans	-51.2	-45.6	173.9	174.2	179.1	-64.5	-86	0.8	112.5	H150 L154 L155 E156	H150-R152 HydrophobicContact CB-CB 4.49Å; H150-R152 PolarHBondContact O-N 2.83Å; H150-R152 VanDerWaalsContact O-N 3.09Å; R152-L154 PolarHBondContact O-N 2.87Å; R152-L155 CarbonylContact O-C 3.55Å; R152-L155 PolarHBondContact O-N 2.63Å; R152-E156 WeakPolarHBondContact CD-OE1 3.31Å; R152-E156 HydrophobicContact CG-CG 4.45Å; R152-E156 WeakPolarHBondContact CG-OE1 3.5Å; R152-E156 VanDerWaalsContact O-CG 3.31Å; R152-E156 WeakPolarHBondContact O-CG 3.41Å; R152-E156 PolarHBondContact O-N 2.99Å
153	Q	93.3	Very high	89.6	Confident	76 Å²	76	55.3 Å²	55.3	36%	0.355	27%	0.271	S	S	.	.	H	α-helix	trans	-69.5	-33.8	-178.3	-59.4	168.4	-39.5	0	0	111.8	F148 L149 H150 I151 E156 A157	F148-Q153 HydrophobicContact CB-CB 4.24Å; F148-Q153 HydrophobicContact CD1-CB 3.76Å; F148-Q153 HydrophobicContact CG-CB 4.44Å; L149-Q153 VanDerWaalsContact N-OE1 3.09Å; H150-Q153 VanDerWaalsContact N-OE1 3.08Å; H150-Q153 WeakPolarHBondContact O-CB 3.41Å; H150-Q153 PolarHBondContact O-N 3.22Å; I151-Q153 VanDerWaalsContact C-N 3.28Å; I151-Q153 PolarHBondContact O-N 3.05Å; Q153-E156 PolarHBondContact O-N 3.49Å; Q153-A157 WeakPolarHBondContact O-CB 3.45Å; Q153-A157 PolarHBondContact O-N 3.38Å
154	L	92.7	Very high	89.8	Confident	0 Å²	0	63 Å²	63	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-62.7	-46.2	171.4	-176	163.6	0	0	0	110.2	I111 L124 C133 L136 F148 I151 R152 E156 A157 W158	I111-L154 HydrophobicContact CD1-CD2 3.71Å; L124-L154 HydrophobicContact CD2-CD1 4.11Å; C133-L154 HydrophobicContact CB-CD1 4.39Å; L136-L154 HydrophobicContact CD2-CD2 4.18Å; F148-L154 HydrophobicContact CB-CB 4.26Å; F148-L154 HydrophobicContact CD1-CB 4.42Å; F148-L154 HydrophobicContact CD2-CB 3.8Å; F148-L154 HydrophobicContact CD2-CD1 4.22Å; F148-L154 HydrophobicContact CD2-CG 4.07Å; F148-L154 HydrophobicContact CE2-CB 4.17Å; F148-L154 HydrophobicContact CE2-CG 4.15Å; F148-L154 HydrophobicContact CG-CB 3.93Å; I151-L154 WeakPolarHBondContact O-CB 3.47Å; I151-L154 PolarHBondContact O-N 2.95Å; I151-L154 VanDerWaalsContact O-N 3.13Å; R152-L154 PolarHBondContact O-N 2.87Å; L154-E156 VanDerWaalsContact C-N 3.29Å; L154-E156 PolarHBondContact O-N 3.37Å; L154-A157 PolarHBondContact O-N 3.28Å; L154-W158 WeakPolarHBondContact O-CB 3.44Å; L154-W158 PolarHBondContact O-N 3.32Å
155	L	92.3	Very high	90.2	Very high	10 Å²	10	61.3 Å²	61.3	5%	0.052	29%	0.293	C	S	.	.	H	α-helix	trans	-71.2	-19.3	177.9	-61.1	178.1	0	0	0	114.1	L74 V76 Y96 V98 I111 I151 R152 W158 P159	L74-L155 HydrophobicContact CD2-CD1 3.8Å; V76-L155 HydrophobicContact CG2-CD1 3.87Å; Y96-L155 HydrophobicContact CD2-CD2 4.3Å; Y96-L155 HydrophobicContact CE2-CD2 3.8Å; V98-L155 HydrophobicContact CG2-CD1 3.78Å; V98-L155 HydrophobicContact CG2-CD2 4.31Å; I111-L155 HydrophobicContact CD1-CD2 4Å; I151-L155 HydrophobicContact CG2-CD1 4.01Å; I151-L155 HydrophobicContact CG2-CG 4.13Å; I151-L155 WeakPolarHBondContact O-CG 3.46Å; I151-L155 PolarHBondContact O-N 3.14Å; R152-L155 CarbonylContact O-C 3.55Å; R152-L155 PolarHBondContact O-N 2.63Å; L155-W158 HydrophobicContact CD2-CE3 4.17Å; L155-P159 WeakPolarHBondContact O-CD 3.42Å; L155-P159 WeakPolarHBondContact O-CG 3.4Å
156	E	90.8	Very high	90.6	Very high	97 Å²	97	59.9 Å²	59.9	45%	0.453	29%	0.285	S	S	.	.	H	α-helix	trans	-82.6	-34.5	171.4	-75.2	160.7	-179.1	0	0	111.4	R152 Q153 L154 Q160	R152-E156 WeakPolarHBondContact CD-OE1 3.31Å; R152-E156 HydrophobicContact CG-CG 4.45Å; R152-E156 WeakPolarHBondContact CG-OE1 3.5Å; R152-E156 VanDerWaalsContact O-CG 3.31Å; R152-E156 WeakPolarHBondContact O-CG 3.41Å; R152-E156 PolarHBondContact O-N 2.99Å; Q153-E156 PolarHBondContact O-N 3.49Å; L154-E156 VanDerWaalsContact C-N 3.29Å; L154-E156 PolarHBondContact O-N 3.37Å; E156-Q160 PolarHBondContact O-NE2 2.71Å
157	A	90.6	Very high	90.8	Very high	13 Å²	13	55.7 Å²	55.7	11%	0.107	28%	0.278	C	S	.	.	H	α-helix	trans	-77.5	-34.5	176.8	0	0	0	0	0	113.3	F148 Q153 L154 Q160 A161	F148-A157 HydrophobicContact CE1-CB 3.7Å; F148-A157 HydrophobicContact CZ-CB 3.81Å; Q153-A157 WeakPolarHBondContact O-CB 3.45Å; Q153-A157 PolarHBondContact O-N 3.38Å; L154-A157 PolarHBondContact O-N 3.28Å; A157-Q160 WeakPolarHBondContact O-CB 3.47Å; A157-Q160 PolarHBondContact O-N 3.39Å; A157-A161 PolarHBondContact O-N 3.42Å
158	W	89.8	Confident	91	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-64.8	-42.5	-174.3	-177.4	29.1	0	0	0	113.9	Y96 I111 V113 L136 F140 M143 L154 L155 Q160 A161 T162 L165	Y96-W158 HydrophobicContact CD1-CZ3 4.35Å; Y96-W158 AromaticContact CD2-CZ3 3.88Å; Y96-W158 HydrophobicContact CD2-CZ3 3.88Å; Y96-W158 HydrophobicContact CG-CH2 4.26Å; Y96-W158 AromaticContact CG-CZ3 3.8Å; Y96-W158 HydrophobicContact CG-CZ3 3.8Å; I111-W158 HydrophobicContact CG2-CH2 3.92Å; I111-W158 HydrophobicContact CG2-CZ3 3.66Å; V113-W158 HydrophobicContact CB-CH2 3.96Å; V113-W158 HydrophobicContact CG1-CH2 4.3Å; V113-W158 HydrophobicContact CG2-CH2 3.85Å; V113-W158 HydrophobicContact CG2-CZ2 4.17Å; L136-W158 HydrophobicContact CD1-CH2 4.02Å; L136-W158 HydrophobicContact CD1-CZ2 3.62Å; L136-W158 HydrophobicContact CD2-CD2 4.01Å; L136-W158 HydrophobicContact CD2-CE3 4.22Å; L136-W158 HydrophobicContact CD2-CG 4.45Å; L136-W158 HydrophobicContact CD2-CZ2 4.42Å; L136-W158 HydrophobicContact CG-CZ2 4.47Å; F140-W158 HydrophobicContact CD2-CZ2 4.34Å; F140-W158 AromaticContact CD2-NE1 3.83Å; F140-W158 AromaticContact CE2-CZ2 3.86Å; F140-W158 HydrophobicContact CE2-CZ2 3.86Å; F140-W158 AromaticContact CG-NE1 3.82Å; F140-W158 HydrophobicContact CZ-CZ2 4.1Å; M143-W158 HydrophobicContact CG-CB 4.24Å; M143-W158 HydrophobicContact CG-CG 4.37Å; L154-W158 WeakPolarHBondContact O-CB 3.44Å; L154-W158 PolarHBondContact O-N 3.32Å; L155-W158 HydrophobicContact CD2-CE3 4.17Å; W158-Q160 VanDerWaalsContact C-N 3.28Å; W158-Q160 PolarHBondContact O-N 2.91Å; W158-A161 CarbonylContact O-C 3.57Å; W158-A161 PolarHBondContact O-N 3Å; W158-A161 VanDerWaalsContact O-N 3.17Å; W158-T162 PolarHBondContact O-N 3.23Å; W158-L165 HydrophobicContact CB-CD1 4.38Å; W158-L165 HydrophobicContact CD2-CD1 3.42Å; W158-L165 VanDerWaalsContact CD2-CD1 3.42Å; W158-L165 VanDerWaalsContact CE2-CD1 3.44Å; W158-L165 HydrophobicContact CE3-CD1 3.97Å; W158-L165 HydrophobicContact CG-CD1 3.61Å; W158-L165 HydrophobicContact CH2-CD1 4.45Å; W158-L165 HydrophobicContact CH2-CD2 4.26Å; W158-L165 HydrophobicContact CZ2-CD1 3.97Å; W158-L165 HydrophobicContact CZ2-CD2 3.88Å; W158-L165 HydrophobicContact CZ3-CD1 4.45Å
159	P	86.2	Confident	91.1	Very high	43 Å²	43	56.8 Å²	56.8	28%	0.279	30%	0.295	S	S	.	.	H	α-helix	trans	-64.7	-25	172.4	-24.1	35.6	0	0	0	114.8	L155 T162 L165	L155-P159 WeakPolarHBondContact O-CD 3.42Å; L155-P159 WeakPolarHBondContact O-CG 3.4Å; P159-T162 WeakPolarHBondContact CA-O 3.33Å; P159-T162 CarbonylContact O-C 3.32Å; P159-L165 HydrophobicContact CG-CB 4.49Å; P159-L165 HydrophobicContact CG-CD1 4.26Å
160	Q	86	Confident	91.1	Very high	157 Å²	157	53.3 Å²	53.3	73%	0.734	27%	0.274	S	S	*	.	H	α-helix	trans	-70.5	-38.1	173.5	-59.7	173.2	46.6	0	0	110.7	E156 A157 W158	E156-Q160 PolarHBondContact O-NE2 2.71Å; A157-Q160 WeakPolarHBondContact O-CB 3.47Å; A157-Q160 PolarHBondContact O-N 3.39Å; W158-Q160 VanDerWaalsContact C-N 3.28Å; W158-Q160 PolarHBondContact O-N 2.91Å
161	A	85.2	Confident	91	Very high	21 Å²	21	52.8 Å²	52.8	17%	0.174	28%	0.282	C	S	.	.	H	α-helix	trans	-81.1	-24.2	175.9	0	0	0	0	0	114.1	T142 M143 A157 W158	T142-A161 VanDerWaalsContact O-CB 3.32Å; T142-A161 WeakPolarHBondContact O-CB 3.49Å; T142-A161 PolarHBondContact OG1-O 3.32Å; M143-A161 HydrophobicContact CB-CB 4.14Å; M143-A161 HydrophobicContact CG-CB 4.35Å; A157-A161 PolarHBondContact O-N 3.42Å; W158-A161 CarbonylContact O-C 3.57Å; W158-A161 PolarHBondContact O-N 3Å; W158-A161 VanDerWaalsContact O-N 3.17Å
162	T	86.8	Confident	90.8	Very high	9 Å²	9	57.8 Å²	57.8	6%	0.055	32%	0.317	C	S	.	.	S	Bend	trans	-135.9	88.9	-178.1	-57.4	0	0	0	0	109.7	W115 F140 W158 P159 L165	W115-T162 HydrophobicContact CH2-CG2 3.69Å; W115-T162 HydrophobicContact CZ3-CG2 3.75Å; F140-T162 HydrophobicContact CD1-CG2 4.05Å; F140-T162 WeakPolarHBondContact CD1-OG1 3.11Å; F140-T162 HydrophobicContact CE1-CG2 3.97Å; W158-T162 PolarHBondContact O-N 3.23Å; P159-T162 WeakPolarHBondContact CA-O 3.33Å; P159-T162 CarbonylContact O-C 3.32Å; T162-L165 HydrophobicContact CG2-CD1 4.21Å; T162-L165 HydrophobicContact CG2-CD2 4.23Å; T162-L165 HydrophobicContact CG2-CG 3.96Å; T162-L165 WeakPolarHBondContact O-CG 3.09Å
163	P	85.2	Confident	90.8	Very high	71 Å²	71	54.6 Å²	54.6	46%	0.461	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	150.2	-179.8	-27.6	36.5	0	0	0	113.7	R94 L165	R94-P163 PolarHBondContact NH1-O 2.94Å; P163-L165 VanDerWaalsContact C-N 3.35Å; P163-L165 PolarHBondContact O-N 3.4Å
164	F	89.2	Confident	90.8	Very high	168 Å²	168	51.8 Å²	51.8	74%	0.737	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.1	27.3	178.4	-39.1	-78.8	0	0	0	115.2	R94	R94-F164 WeakPolarHBondContact CB-O 3.11Å; R94-F164 VanDerWaalsContact CD-O 3.31Å; R94-F164 WeakPolarHBondContact CD-O 3.46Å
165	L	91.9	Very high	90.9	Very high	16 Å²	16	52 Å²	52	8%	0.084	30%	0.297	C	S	.	.			trans	-64.7	135.9	162	-76.9	171.1	0	0	0	110.6	R94 Y96 W158 P159 T162 P163 P167	R94-L165 HydrophobicContact CB-CD2 4.31Å; Y96-L165 HydrophobicContact CD1-CB 4.02Å; Y96-L165 HydrophobicContact CD1-CD2 4.38Å; Y96-L165 HydrophobicContact CE1-CB 3.93Å; W158-L165 HydrophobicContact CB-CD1 4.38Å; W158-L165 HydrophobicContact CD2-CD1 3.42Å; W158-L165 VanDerWaalsContact CD2-CD1 3.42Å; W158-L165 VanDerWaalsContact CE2-CD1 3.44Å; W158-L165 HydrophobicContact CE3-CD1 3.97Å; W158-L165 HydrophobicContact CG-CD1 3.61Å; W158-L165 HydrophobicContact CH2-CD1 4.45Å; W158-L165 HydrophobicContact CH2-CD2 4.26Å; W158-L165 HydrophobicContact CZ2-CD1 3.97Å; W158-L165 HydrophobicContact CZ2-CD2 3.88Å; W158-L165 HydrophobicContact CZ3-CD1 4.45Å; P159-L165 HydrophobicContact CG-CB 4.49Å; P159-L165 HydrophobicContact CG-CD1 4.26Å; T162-L165 HydrophobicContact CG2-CD1 4.21Å; T162-L165 HydrophobicContact CG2-CD2 4.23Å; T162-L165 HydrophobicContact CG2-CG 3.96Å; T162-L165 WeakPolarHBondContact O-CG 3.09Å; P163-L165 VanDerWaalsContact C-N 3.35Å; P163-L165 PolarHBondContact O-N 3.4Å; L165-P167 WeakPolarHBondContact O-CD 3.36Å
166	I	93.6	Very high	91	Very high	78 Å²	78	52.9 Å²	52.9	40%	0.4	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	106.8	-175	-56.7	176.5	0	0	0	109	W92 R94 A95 Y96 T168	W92-I166 HydrophobicContact CB-CD1 4.35Å; R94-I166 PolarHBondContact O-N 3.26Å; A95-I166 CarbonylContact C-O 3.56Å; A95-I166 WeakPolarHBondContact CA-O 3.47Å; Y96-I166 WeakPolarHBondContact CD1-O 3.5Å; Y96-I166 PolarHBondContact N-O 3.06Å; I166-T168 PolarHBondContact O-N 3.43Å
167	P	94.8	Very high	91.2	Very high	68 Å²	68	49.1 Å²	49.1	44%	0.442	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	122.6	173.9	24.9	-31.9	0	0	0	110.2	V76 Y96 L165 P169	V76-P167 HydrophobicContact CG1-CB 3.31Å; Y96-P167 HydrophobicContact CE1-CB 4.07Å; L165-P167 WeakPolarHBondContact O-CD 3.36Å; P167-P169 VanDerWaalsContact O-CD 3.24Å; P167-P169 WeakPolarHBondContact O-CD 3.18Å
168	T	96.4	Very high	91.3	Very high	19 Å²	19	53.4 Å²	53.4	12%	0.117	31%	0.313	C	S	.	.			trans	-92.1	105.2	177.4	-51.7	0	0	0	0	109.1	H78 L89 Y96 I166	H78-T168 PolarHBondContact NE2-O 2.87Å; L89-T168 HydrophobicContact CB-CG2 4.41Å; Y96-T168 VanDerWaalsContact O-CB 3.24Å; Y96-T168 WeakPolarHBondContact O-CB 3.29Å; Y96-T168 PolarHBondContact O-N 2.73Å; Y96-T168 PolarHBondContact O-OG1 3.45Å; Y96-T168 VanDerWaalsContact O-OG1 3.11Å; I166-T168 PolarHBondContact O-N 3.43Å
169	P	95.3	Very high	91.5	Very high	86 Å²	86	54.2 Å²	54.2	56%	0.558	32%	0.318	S	S	*	.	P	Polyproline II helix	trans	-70.5	150.8	179.6	31.3	-35.8	0	0	0	111.2	H75 H78 P167	H75-P169 WeakPolarHBondContact O-CA 3.39Å; H78-P169 PolarHBondContact CE1-O 3.19Å; P167-P169 VanDerWaalsContact O-CD 3.24Å; P167-P169 WeakPolarHBondContact O-CD 3.18Å
170	R	93.1	Very high	92.1	Very high	35 Å²	35	52.8 Å²	52.8	13%	0.132	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-66.5	153	167.8	64.9	176.6	172.4	-106.2	1.6	112.2	I72 L74 H75 Y77 H78 V174	I72-R170 PolarHBondContact O-NH1 3.46Å; I72-R170 PolarHBondContact O-NH2 2.83Å; L74-R170 PolarHBondContact O-NH1 3.29Å; H75-R170 PolarHBondContact O-N 3Å; Y77-R170 WeakPolarHBondContact O-CD 3.38Å; Y77-R170 PolarHBondContact O-NH1 3.49Å; H78-R170 WeakPolarHBondContact CE1-CA 3.43Å; H78-R170 PolarHBondContact CE1-N 3.13Å; R170-V174 HydrophobicContact CB-CB 4.38Å; R170-V174 HydrophobicContact CB-CG2 4.22Å; R170-V174 HydrophobicContact CG-CB 4.41Å
171	G	90.6	Very high	92.5	Very high	38 Å²	38	49.7 Å²	49.7	39%	0.392	30%	0.296	S	S	.	.	P	Polyproline II helix	trans	-67.1	156.3	175.3	0	0	0	0	0	113.2	N173 V174	G171-N173 PolarHBondContact O-N 2.97Å; G171-V174 WeakPolarHBondContact O-CB 3.37Å; G171-V174 PolarHBondContact O-N 3.14Å
172	S	90.7	Very high	93	Very high	106 Å²	106	51.5 Å²	51.5	74%	0.741	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-16.3	177.6	52	0	0	0	0	114.1	V174	S172-V174 VanDerWaalsContact C-N 3.26Å
173	N	91.8	Very high	93.4	Very high	36 Å²	36	54.9 Å²	54.9	19%	0.193	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-10.3	170.7	58.8	-19	0	0	0	113.4	G171 L175 T236 F246 G248 F249	G171-N173 PolarHBondContact O-N 2.97Å; N173-L175 PolarHBondContact O-N 3.47Å; N173-T236 WeakPolarHBondContact ND2-CG2 3.21Å; N173-T236 PolarHBondContact ND2-OG1 3.33Å; N173-T236 VanDerWaalsContact ND2-OG1 3.16Å; N173-F246 HydrophobicContact CB-CE1 4.13Å; N173-G248 CarbonylContact O-C 3.53Å; N173-G248 WeakPolarHBondContact O-CA 3.43Å; N173-F249 HydrophobicContact CB-CD1 4.47Å; N173-F249 HydrophobicContact CB-CE1 4.38Å; N173-F249 WeakPolarHBondContact O-CD1 3.35Å; N173-F249 PolarHBondContact O-N 3.43Å
174	V	94	Very high	93.8	Very high	16 Å²	16	58.8 Å²	58.8	10%	0.097	33%	0.33	C	S	.	.	B	Isolated β-bridge	trans	-84.3	106.2	172.8	-175.9	0	0	0	0	109.6	R170 G171 S172 F249 L252	R170-V174 HydrophobicContact CB-CB 4.38Å; R170-V174 HydrophobicContact CB-CG2 4.22Å; R170-V174 HydrophobicContact CG-CB 4.41Å; G171-V174 WeakPolarHBondContact O-CB 3.37Å; G171-V174 PolarHBondContact O-N 3.14Å; S172-V174 VanDerWaalsContact C-N 3.26Å; V174-F249 CarbonylContact C-O 3.43Å; V174-F249 WeakPolarHBondContact CA-O 3.22Å; V174-F249 HydrophobicContact CG2-CE1 3.84Å; V174-F249 HydrophobicContact CG2-CE2 4.28Å; V174-F249 HydrophobicContact CG2-CZ 3.61Å; V174-L252 HydrophobicContact CG1-CD1 4.42Å; V174-L252 HydrophobicContact CG1-CD2 3.69Å; V174-L252 HydrophobicContact CG1-CG 3.88Å
175	L	94.8	Very high	94	Very high	6 Å²	6	54.9 Å²	54.9	3%	0.031	31%	0.313	C	S	.	.			trans	-87.9	151.1	-175.4	-55.4	-176.6	0	0	0	111.9	N173 I180 Y199 F249 A250 V259	N173-L175 PolarHBondContact O-N 3.47Å; L175-I180 HydrophobicContact CB-CD1 4.22Å; L175-I180 HydrophobicContact CD1-CD1 4.32Å; L175-Y199 HydrophobicContact CD1-CD2 4.18Å; L175-Y199 HydrophobicContact CD1-CE2 3.81Å; L175-Y199 HydrophobicContact CD2-CE2 3.83Å; L175-Y199 VanDerWaalsContact CD2-OH 3.32Å; L175-Y199 WeakPolarHBondContact CD2-OH 3.26Å; L175-Y199 HydrophobicContact CG-CE2 4.3Å; L175-F249 PolarHBondContact N-O 3.22Å; L175-A250 HydrophobicContact CB-CB 4.32Å; L175-V259 HydrophobicContact CD1-CB 3.84Å; L175-V259 HydrophobicContact CD1-CG1 4.39Å; L175-V259 HydrophobicContact CD1-CG2 3.69Å
176	I	94.1	Very high	94	Very high	28 Å²	28	58.5 Å²	58.5	14%	0.144	33%	0.332	C	S	.	.			trans	-89.4	128.7	171.4	-56.9	178	0	0	0	108.3	I72 S178 T179 V202 L252	I72-I176 HydrophobicContact CG2-CD1 4.35Å; I72-I176 HydrophobicContact CG2-CG1 4.28Å; I72-I176 HydrophobicContact CG2-CG2 3.64Å; I176-S178 VanDerWaalsContact C-N 3.26Å; I176-S178 WeakPolarHBondContact CG2-OG 3.42Å; I176-S178 PolarHBondContact O-N 3.06Å; I176-T179 HydrophobicContact CB-CG2 4.29Å; I176-T179 WeakPolarHBondContact O-CB 3.15Å; I176-T179 PolarHBondContact O-N 3.36Å; I176-T179 PolarHBondContact O-OG1 3.05Å; I176-V202 HydrophobicContact CD1-CG2 4.12Å; I176-L252 HydrophobicContact CG1-CD1 4.09Å
177	H	94.3	Very high	93.6	Very high	18 Å²	18	56.2 Å²	56.2	8%	0.083	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-54.1	-37.4	-177	-70.6	57.1	0	0	0	114.2	T179 I180 A250 E253 P255	H177-T179 PolarHBondContact O-N 2.94Å; H177-I180 PolarHBondContact O-N 3.28Å; H177-A250 VanDerWaalsContact CE1-C 3.41Å; H177-A250 WeakPolarHBondContact CE1-CB 3.28Å; H177-A250 PolarHBondContact CE1-O 3.44Å; H177-A250 VanDerWaalsContact CE1-O 3.31Å; H177-A250 WeakPolarHBondContact ND1-CB 3.31Å; H177-E253 HydrophobicContact CB-CG 4.03Å; H177-E253 WeakPolarHBondContact CB-OE1 3.4Å; H177-E253 PolarHBondContact CE1-O 3.08Å; H177-E253 VanDerWaalsContact CG-CG 3.43Å; H177-E253 IonicContact CG-OE1 2.71Å; H177-E253 WeakPolarHBondContact ND1-CG 3.42Å; H177-E253 PolarHBondContact NE2-O 2.97Å; H177-P255 PolarHBondContact NE2-O 3Å
178	S	93.5	Very high	93.1	Very high	102 Å²	102	57.4 Å²	57.4	71%	0.713	34%	0.336	S	S	*	.	G	3₁₀ helix	trans	-64.5	-6.7	176.3	63.5	0	0	0	0	115.1	I176	I176-S178 VanDerWaalsContact C-N 3.26Å; I176-S178 WeakPolarHBondContact CG2-OG 3.42Å; I176-S178 PolarHBondContact O-N 3.06Å
179	T	94.9	Very high	91.9	Very high	18 Å²	18	58 Å²	58	11%	0.11	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-90.1	-3.1	170.3	66	0	0	0	0	113.8	I176 H177 Y199 K200 V202	I176-T179 HydrophobicContact CB-CG2 4.29Å; I176-T179 WeakPolarHBondContact O-CB 3.15Å; I176-T179 PolarHBondContact O-N 3.36Å; I176-T179 PolarHBondContact O-OG1 3.05Å; H177-T179 PolarHBondContact O-N 2.94Å; T179-Y199 WeakPolarHBondContact O-CA 3.17Å; T179-Y199 WeakPolarHBondContact OG1-CE2 3.19Å; T179-K200 VanDerWaalsContact CB-O 3.29Å; T179-K200 WeakPolarHBondContact CB-O 3.36Å; T179-K200 WeakPolarHBondContact CG2-O 3.29Å; T179-K200 PolarHBondContact O-N 3.22Å; T179-V202 HydrophobicContact CG2-CG2 3.61Å
180	I	96.9	Very high	90.6	Very high	12 Å²	12	57 Å²	57	6%	0.062	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	108.1	-173.4	-55.6	161.3	0	0	0	108.9	L175 H177 L182 Q198 Y199 V213 A250 M257 V259	L175-I180 HydrophobicContact CB-CD1 4.22Å; L175-I180 HydrophobicContact CD1-CD1 4.32Å; H177-I180 PolarHBondContact O-N 3.28Å; I180-L182 HydrophobicContact CG2-CD2 4.12Å; I180-Q198 WeakPolarHBondContact CA-O 3.43Å; I180-Y199 HydrophobicContact CG1-CD2 4.08Å; I180-V213 HydrophobicContact CG2-CG1 4.42Å; I180-V213 HydrophobicContact CG2-CG2 3.92Å; I180-A250 HydrophobicContact CD1-CB 3.69Å; I180-M257 HydrophobicContact CG2-SD 4.36Å; I180-V259 HydrophobicContact CD1-CG2 3.52Å; I180-V259 HydrophobicContact CG1-CG2 4.06Å
181	N	96.4	Very high	89.4	Confident	93 Å²	93	56 Å²	56	50%	0.497	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	124	172.5	-65.1	-35.6	0	0	0	109.1	G197 Q198	N181-G197 CarbonylContact O-C 3.57Å; N181-G197 WeakPolarHBondContact O-CA 3.46Å; N181-Q198 PolarHBondContact N-O 3.33Å; N181-Q198 PolarHBondContact O-N 3Å
182	L	95.6	Very high	89	Confident	58 Å²	58	54.5 Å²	54.5	30%	0.304	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	128.6	176.1	-59.7	-177.8	0	0	0	110.5	I180 F195 V213 M257	I180-L182 HydrophobicContact CG2-CD2 4.12Å; L182-F195 HydrophobicContact CD2-CB 4.17Å; L182-V213 HydrophobicContact CD2-CB 3.75Å; L182-V213 HydrophobicContact CD2-CG1 3.82Å; L182-V213 HydrophobicContact CD2-CG2 3.85Å; L182-M257 HydrophobicContact CD1-CE 4.07Å; L182-M257 HydrophobicContact CD1-SD 4.46Å; L182-M257 HydrophobicContact CD2-SD 4.32Å
183	D	94.5	Very high	89	Confident	81 Å²	81	50.9 Å²	50.9	43%	0.433	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	-111.7	178	-58.1	-39.3	0	0	0	110.3	K196	D183-K196 WeakPolarHBondContact CA-O 3.47Å; D183-K196 WeakPolarHBondContact CB-O 3.14Å; D183-K196 PolarHBondContact N-O 3.22Å
184	K	93.5	Very high	89	Confident	153 Å²	153	50.8 Å²	50.8	67%	0.665	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.2	133.2	-173.8	-178	-175	174.2	-176.8	0	111.4	L186 K196	K184-L186 PolarHBondContact O-N 3.08Å; K184-K196 PolarHBondContact O-N 3.43Å
185	K	93.8	Very high	89.1	Confident	85 Å²	85	51 Å²	51	37%	0.37	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	125.6	166.8	-172.3	172.4	175.3	174.9	0	111.1	G187 C188 E193 F195	K185-G187 WeakPolarHBondContact CE-O 3.49Å; K185-C188 WeakPolarHBondContact CE-SG 3.23Å; K185-C188 PolarHBondContact NZ-SG 2.93Å; K185-E193 WeakPolarHBondContact CE-OE1 3.29Å; K185-E193 IonicContact NZ-OE1 3.32Å; K185-E193 PolarHBondContact NZ-OE1 2.53Å; K185-F195 HydrophobicContact CB-CD1 4.05Å; K185-F195 HydrophobicContact CB-CE1 3.71Å; K185-F195 HydrophobicContact CB-CZ 4.03Å; K185-F195 HydrophobicContact CD-CZ 4.24Å; K185-F195 HydrophobicContact CG-CE1 4.32Å; K185-F195 HydrophobicContact CG-CE2 4.42Å; K185-F195 HydrophobicContact CG-CZ 4.15Å
186	L	90.5	Very high	89.2	Confident	93 Å²	93	53.3 Å²	53.3	49%	0.487	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	-36.4	177.6	-65.1	173.5	0	0	0	112	K184 V194 K196 L262	K184-L186 PolarHBondContact O-N 3.08Å; L186-V194 HydrophobicContact CB-CG1 4.35Å; L186-V194 HydrophobicContact CD1-CG1 4.29Å; L186-V194 PolarHBondContact N-O 3.39Å; L186-K196 HydrophobicContact CD1-CB 4.04Å; L186-K196 HydrophobicContact CD2-CB 4.13Å; L186-K196 HydrophobicContact CG-CB 4.07Å; L186-L262 HydrophobicContact CD1-CD1 3.66Å
187	G	86.4	Confident	89.3	Confident	29 Å²	29	52 Å²	52	30%	0.299	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-178.4	-171	-179.6	0	0	0	0	0	114.6	K185 V194	K185-G187 WeakPolarHBondContact CE-O 3.49Å; G187-V194 PolarHBondContact N-O 3.31Å; G187-V194 PolarHBondContact O-N 3.1Å
188	C	83.6	Confident	89.5	Confident	93 Å²	93	54.5 Å²	54.5	63%	0.628	31%	0.313	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.5	123.3	169.6	-62.3	0	0	0	0	108.2	K185 G192	K185-C188 WeakPolarHBondContact CE-SG 3.23Å; K185-C188 PolarHBondContact NZ-SG 2.93Å; C188-G192 CarbonylContact C-O 3.6Å
189	G	71.9	Confident	89.7	Confident	32 Å²	32	50.3 Å²	50.3	33%	0.33	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	-179.6	169.6	0	0	0	0	0	111.7	F191 G192	G189-F191 PolarHBondContact O-N 3.34Å; G189-G192 PolarHBondContact N-O 2.83Å; G189-G192 PolarHBondContact O-N 2.94Å
190	A	67.7	Low	89.7	Confident	66 Å²	66	54.2 Å²	54.2	55%	0.545	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-12.1	-177.4	0	0	0	0	0	115.1
191	F	68.2	Low	89.4	Confident	13 Å²	13	54.8 Å²	54.8	6%	0.057	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.6	-7.2	-175.8	-54.5	-86.4	0	0	0	113.7	G189 E227 F228 G326 L327 K341	G189-F191 PolarHBondContact O-N 3.34Å; F191-E227 HydrophobicContact CD1-CB 4.12Å; F191-E227 HydrophobicContact CE1-CB 3.83Å; F191-E227 HydrophobicContact CE1-CG 4.42Å; F191-E227 WeakPolarHBondContact CE1-OE2 3.32Å; F191-F228 HydrophobicContact CB-CD2 4.22Å; F191-G326 WeakPolarHBondContact CE1-O 3.38Å; F191-G326 WeakPolarHBondContact CZ-O 3.46Å; F191-L327 HydrophobicContact CZ-CD2 4.09Å; F191-L327 HydrophobicContact CZ-CG 4.25Å; F191-K341 VanDerWaalsContact CE1-NZ 3.25Å
192	G	81	Confident	89	Confident	6 Å²	6	55.8 Å²	55.8	6%	0.062	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	151.7	-157.9	-177.5	0	0	0	0	0	113.6	C188 G189 R215	C188-G192 CarbonylContact C-O 3.6Å; G189-G192 PolarHBondContact N-O 2.83Å; G189-G192 PolarHBondContact O-N 2.94Å; G192-R215 WeakPolarHBondContact CA-O 3.36Å
193	E	90.9	Very high	88.6	Confident	30 Å²	30	56.8 Å²	56.8	14%	0.14	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	144.7	-174.5	-61.3	175.6	115	0	0	111.1	K185 F195 K214 R215 L217	K185-E193 WeakPolarHBondContact CE-OE1 3.29Å; K185-E193 IonicContact NZ-OE1 3.32Å; K185-E193 PolarHBondContact NZ-OE1 2.53Å; E193-F195 HydrophobicContact CB-CD2 4.17Å; E193-F195 HydrophobicContact CB-CE2 3.55Å; E193-F195 HydrophobicContact CB-CZ 4.49Å; E193-F195 HydrophobicContact CG-CE2 4.46Å; E193-K214 CarbonylContact O-C 3.59Å; E193-K214 WeakPolarHBondContact O-CA 3.24Å; E193-R215 HydrophobicContact CB-CG 4.18Å; E193-R215 PolarHBondContact N-O 3.37Å; E193-R215 PolarHBondContact O-N 3.13Å; E193-R215 IonicContact OE2-CZ 3.34Å; E193-R215 IonicContact OE2-NE 2.66Å; E193-R215 PolarHBondContact OE2-NE 3.39Å; E193-R215 IonicContact OE2-NH2 2.66Å; E193-R215 PolarHBondContact OE2-NH2 2.91Å; E193-L217 HydrophobicContact CG-CD2 3.95Å
194	V	93.3	Very high	88.3	Confident	34 Å²	34	54.1 Å²	54.1	21%	0.206	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	129.3	174	-172.9	0	0	0	0	108.9	L186 G187 A212 V213 K214	L186-V194 HydrophobicContact CB-CG1 4.35Å; L186-V194 HydrophobicContact CD1-CG1 4.29Å; L186-V194 PolarHBondContact N-O 3.39Å; G187-V194 PolarHBondContact N-O 3.31Å; G187-V194 PolarHBondContact O-N 3.1Å; V194-A212 HydrophobicContact CG1-CB 4.42Å; V194-V213 CarbonylContact C-O 3.53Å; V194-V213 WeakPolarHBondContact CA-O 3.41Å; V194-K214 HydrophobicContact CG2-CG 4.21Å
195	F	95.6	Very high	88.3	Confident	21 Å²	21	53.4 Å²	53.4	9%	0.092	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	150.1	177.4	-73.8	-101.2	0	0	0	110.6	L182 K185 E193 A212 V213 R215	L182-F195 HydrophobicContact CD2-CB 4.17Å; K185-F195 HydrophobicContact CB-CD1 4.05Å; K185-F195 HydrophobicContact CB-CE1 3.71Å; K185-F195 HydrophobicContact CB-CZ 4.03Å; K185-F195 HydrophobicContact CD-CZ 4.24Å; K185-F195 HydrophobicContact CG-CE1 4.32Å; K185-F195 HydrophobicContact CG-CE2 4.42Å; K185-F195 HydrophobicContact CG-CZ 4.15Å; E193-F195 HydrophobicContact CB-CD2 4.17Å; E193-F195 HydrophobicContact CB-CE2 3.55Å; E193-F195 HydrophobicContact CB-CZ 4.49Å; E193-F195 HydrophobicContact CG-CE2 4.46Å; F195-A212 CarbonylContact O-C 3.59Å; F195-A212 WeakPolarHBondContact O-CA 3.35Å; F195-V213 PolarHBondContact N-O 2.94Å; F195-V213 PolarHBondContact O-N 3.5Å; F195-R215 HydrophobicContact CD2-CG 4.31Å; F195-R215 HydrophobicContact CE2-CG 4.15Å; F195-R215 VanDerWaalsContact CE2-CZ 3.47Å; F195-R215 VanDerWaalsContact CE2-NE 3.26Å
196	K	96.7	Very high	88.2	Confident	54 Å²	54	52.8 Å²	52.8	24%	0.235	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	144.2	153.3	174	167.9	179	165.7	0	107.2	D183 K184 L186 E210 V211 L262	D183-K196 WeakPolarHBondContact CA-O 3.47Å; D183-K196 WeakPolarHBondContact CB-O 3.14Å; D183-K196 PolarHBondContact N-O 3.22Å; K184-K196 PolarHBondContact O-N 3.43Å; L186-K196 HydrophobicContact CD1-CB 4.04Å; L186-K196 HydrophobicContact CD2-CB 4.13Å; L186-K196 HydrophobicContact CG-CB 4.07Å; K196-E210 WeakPolarHBondContact CE-OE1 3.23Å; K196-E210 IonicContact NZ-OE1 3.37Å; K196-E210 PolarHBondContact NZ-OE1 3.15Å; K196-E210 IonicContact NZ-OE2 2.74Å; K196-E210 PolarHBondContact NZ-OE2 2.95Å; K196-V211 WeakPolarHBondContact CA-O 3.46Å; K196-L262 HydrophobicContact CD-CD2 3.79Å; K196-L262 HydrophobicContact CG-CD2 3.94Å
197	G	97	Very high	88.4	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	-169.6	171.3	0	0	0	0	0	112.3	N181 E210 V211	N181-G197 CarbonylContact O-C 3.57Å; N181-G197 WeakPolarHBondContact O-CA 3.46Å; G197-E210 WeakPolarHBondContact O-CA 3.39Å; G197-V211 PolarHBondContact N-O 3.12Å; G197-V211 WeakPolarHBondContact O-CG2 3.48Å; G197-V211 PolarHBondContact O-N 3.09Å
198	Q	97.6	Very high	88.8	Confident	71 Å²	71	54.4 Å²	54.4	33%	0.332	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	136	173.3	-61.2	-176.5	-0.4	0	0	110.4	I180 N181 P208 I209	I180-Q198 WeakPolarHBondContact CA-O 3.43Å; N181-Q198 PolarHBondContact N-O 3.33Å; N181-Q198 PolarHBondContact O-N 3Å; Q198-P208 HydrophobicContact CB-CB 3.99Å; Q198-I209 CarbonylContact C-O 3.57Å; Q198-I209 VanDerWaalsContact CA-O 3.31Å; Q198-I209 WeakPolarHBondContact CA-O 3.21Å
199	Y	97.4	Very high	89.4	Confident	15 Å²	15	52.3 Å²	52.3	6%	0.059	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	132.9	174.4	168.4	-112	0	0	0	110.7	L175 T179 I180 A201 P208 I209 V259 M512	L175-Y199 HydrophobicContact CD1-CD2 4.18Å; L175-Y199 HydrophobicContact CD1-CE2 3.81Å; L175-Y199 HydrophobicContact CD2-CE2 3.83Å; L175-Y199 VanDerWaalsContact CD2-OH 3.32Å; L175-Y199 WeakPolarHBondContact CD2-OH 3.26Å; L175-Y199 HydrophobicContact CG-CE2 4.3Å; T179-Y199 WeakPolarHBondContact O-CA 3.17Å; T179-Y199 WeakPolarHBondContact OG1-CE2 3.19Å; I180-Y199 HydrophobicContact CG1-CD2 4.08Å; Y199-A201 HydrophobicContact CE1-CB 4.04Å; Y199-A201 WeakPolarHBondContact OH-CA 3.46Å; Y199-A201 WeakPolarHBondContact OH-CB 3.45Å; Y199-P208 CarbonylContact O-C 3.56Å; Y199-P208 VanDerWaalsContact O-CA 3.3Å; Y199-P208 WeakPolarHBondContact O-CA 3.49Å; Y199-I209 HydrophobicContact CD1-CD1 4.12Å; Y199-I209 HydrophobicContact CD1-CG1 4.08Å; Y199-I209 PolarHBondContact N-O 2.8Å; Y199-I209 PolarHBondContact O-N 2.99Å; Y199-V259 HydrophobicContact CG-CG1 4.49Å; Y199-M512 HydrophobicContact CE1-CE 3.75Å; Y199-M512 HydrophobicContact CE1-SD 3.87Å
200	K	95.4	Very high	90.6	Very high	100 Å²	100	55.4 Å²	55.4	44%	0.435	33%	0.333	S	S	.	.			trans	-129.7	104.9	172.4	-170.6	-176.6	-180	-178	0	111.1	T179 S204 N206 P208	T179-K200 VanDerWaalsContact CB-O 3.29Å; T179-K200 WeakPolarHBondContact CB-O 3.36Å; T179-K200 WeakPolarHBondContact CG2-O 3.29Å; T179-K200 PolarHBondContact O-N 3.22Å; K200-S204 WeakPolarHBondContact CE-O 3.47Å; K200-N206 WeakPolarHBondContact CE-O 3.44Å; K200-P208 HydrophobicContact CB-CB 4.15Å; K200-P208 HydrophobicContact CB-CG 4.15Å; K200-P208 HydrophobicContact CD-CG 4.27Å; K200-P208 HydrophobicContact CG-CG 4.46Å
201	A	90.2	Very high	92	Very high	24 Å²	24	52.3 Å²	52.3	20%	0.198	31%	0.307	C	S	.	.			trans	-51.4	139.4	176	0	0	0	0	0	112.7	Y199 G203 S204	Y199-A201 HydrophobicContact CE1-CB 4.04Å; Y199-A201 WeakPolarHBondContact OH-CA 3.46Å; Y199-A201 WeakPolarHBondContact OH-CB 3.45Å; A201-G203 PolarHBondContact O-N 3.05Å; A201-S204 WeakPolarHBondContact O-CB 3.2Å; A201-S204 PolarHBondContact O-N 3.2Å
202	V	87.4	Confident	93.4	Very high	113 Å²	113	52.1 Å²	52.1	69%	0.685	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	132.4	-179.3	-174.4	0	0	0	0	110	I176 T179 S204	I176-V202 HydrophobicContact CD1-CG2 4.12Å; T179-V202 HydrophobicContact CG2-CG2 3.61Å; V202-S204 PolarHBondContact O-N 3.25Å
203	G	87.8	Confident	94.1	Very high	80 Å²	80	51.8 Å²	51.8	83%	0.825	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	73	-3.6	-178.3	0	0	0	0	0	115.4	A201 T205	A201-G203 PolarHBondContact O-N 3.05Å; G203-T205 PolarHBondContact O-N 3.47Å
204	S	89.1	Confident	94.3	Very high	25 Å²	25	50.8 Å²	50.8	18%	0.175	30%	0.3	C	S	.	.			trans	-69.4	129.3	178.8	-174.2	0	0	0	0	112	K200 A201 V202 N206	K200-S204 WeakPolarHBondContact CE-O 3.47Å; A201-S204 WeakPolarHBondContact O-CB 3.2Å; A201-S204 PolarHBondContact O-N 3.2Å; V202-S204 PolarHBondContact O-N 3.25Å; S204-N206 VanDerWaalsContact C-N 3.31Å; S204-N206 WeakPolarHBondContact OG-CB 3.49Å; S204-N206 PolarHBondContact OG-N 3.07Å
205	T	92.2	Very high	94.3	Very high	137 Å²	137	52.5 Å²	52.5	84%	0.84	30%	0.303	S	S	*	.			trans	-80	-13.4	170.6	52.2	0	0	0	0	112.8	G203	G203-T205 PolarHBondContact O-N 3.47Å
206	N	91.8	Very high	93.8	Very high	73 Å²	73	52 Å²	52	39%	0.39	30%	0.301	S	S	.	.	S	Bend	trans	-69.9	154.2	176.6	-64.4	-51.9	0	0	0	111.2	K200 S204	K200-N206 WeakPolarHBondContact CE-O 3.44Å; S204-N206 VanDerWaalsContact C-N 3.31Å; S204-N206 WeakPolarHBondContact OG-CB 3.49Å; S204-N206 PolarHBondContact OG-N 3.07Å
207	P	94.3	Very high	92.9	Very high	100 Å²	100	53.3 Å²	53.3	65%	0.649	31%	0.31	S	S	*	.	P	Polyproline II helix	trans	-60.5	157.3	169.2	27.6	-35.6	0	0	0	111.1
208	P	95.1	Very high	91.7	Very high	55 Å²	55	56.4 Å²	56.4	36%	0.357	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-55	142.7	168.2	-18.8	30	0	0	0	111.1	Q198 Y199 K200	Q198-P208 HydrophobicContact CB-CB 3.99Å; Y199-P208 CarbonylContact O-C 3.56Å; Y199-P208 VanDerWaalsContact O-CA 3.3Å; Y199-P208 WeakPolarHBondContact O-CA 3.49Å; K200-P208 HydrophobicContact CB-CB 4.15Å; K200-P208 HydrophobicContact CB-CG 4.15Å; K200-P208 HydrophobicContact CD-CG 4.27Å; K200-P208 HydrophobicContact CG-CG 4.46Å
209	I	96	Very high	90.7	Very high	49 Å²	49	59.8 Å²	59.8	25%	0.251	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	146.2	172.8	61.8	169.7	0	0	0	110.2	Q198 Y199 V211 Y247 P509	Q198-I209 CarbonylContact C-O 3.57Å; Q198-I209 VanDerWaalsContact CA-O 3.31Å; Q198-I209 WeakPolarHBondContact CA-O 3.21Å; Y199-I209 HydrophobicContact CD1-CD1 4.12Å; Y199-I209 HydrophobicContact CD1-CG1 4.08Å; Y199-I209 PolarHBondContact N-O 2.8Å; Y199-I209 PolarHBondContact O-N 2.99Å; I209-V211 HydrophobicContact CD1-CG1 4.23Å; I209-V211 HydrophobicContact CG1-CG1 3.99Å; I209-Y247 HydrophobicContact CD1-CD2 3.98Å; I209-Y247 HydrophobicContact CD1-CE1 4.38Å; I209-Y247 HydrophobicContact CD1-CE2 3.7Å; I209-Y247 HydrophobicContact CD1-CG 4.43Å; I209-P509 HydrophobicContact CD1-CG 4.47Å
210	E	97.3	Very high	89.9	Confident	98 Å²	98	59.8 Å²	59.8	46%	0.458	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	135.3	172.1	-58.1	-160.3	131.3	0	0	110.5	K196 G197 L262	K196-E210 WeakPolarHBondContact CE-OE1 3.23Å; K196-E210 IonicContact NZ-OE1 3.37Å; K196-E210 PolarHBondContact NZ-OE1 3.15Å; K196-E210 IonicContact NZ-OE2 2.74Å; K196-E210 PolarHBondContact NZ-OE2 2.95Å; G197-E210 WeakPolarHBondContact O-CA 3.39Å; E210-L262 HydrophobicContact CB-CD2 3.99Å
211	V	97.9	Very high	89.3	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	154.9	-173.7	-64.3	0	0	0	0	111.6	K196 G197 I209 V213 Y247 V259 M260	K196-V211 WeakPolarHBondContact CA-O 3.46Å; G197-V211 PolarHBondContact N-O 3.12Å; G197-V211 WeakPolarHBondContact O-CG2 3.48Å; G197-V211 PolarHBondContact O-N 3.09Å; I209-V211 HydrophobicContact CD1-CG1 4.23Å; I209-V211 HydrophobicContact CG1-CG1 3.99Å; V211-V213 HydrophobicContact CG2-CG2 3.69Å; V211-Y247 HydrophobicContact CG1-CD2 3.66Å; V211-Y247 HydrophobicContact CG1-CE2 3.82Å; V211-V259 HydrophobicContact CB-CG1 3.8Å; V211-V259 HydrophobicContact CG1-CG1 3.76Å; V211-V259 HydrophobicContact CG2-CG1 3.96Å; V211-M260 WeakPolarHBondContact CA-O 3.34Å; V211-M260 WeakPolarHBondContact CB-O 3.42Å
212	A	97	Very high	89.1	Confident	9 Å²	9	63.2 Å²	63.2	7%	0.074	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	136.3	158.3	0	0	0	0	0	108.6	V194 F195 M260 L262	V194-A212 HydrophobicContact CG1-CB 4.42Å; F195-A212 CarbonylContact O-C 3.59Å; F195-A212 WeakPolarHBondContact O-CA 3.35Å; A212-M260 HydrophobicContact CB-CG 3.82Å; A212-M260 PolarHBondContact N-O 3.36Å; A212-M260 WeakPolarHBondContact O-CG 3.44Å; A212-M260 PolarHBondContact O-N 2.73Å; A212-L262 HydrophobicContact CB-CD1 4.12Å
213	V	96.5	Very high	89	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	108.2	-179.5	-169.5	0	0	0	0	109.1	I180 L182 V194 F195 V211 M257 V258 V259	I180-V213 HydrophobicContact CG2-CG1 4.42Å; I180-V213 HydrophobicContact CG2-CG2 3.92Å; L182-V213 HydrophobicContact CD2-CB 3.75Å; L182-V213 HydrophobicContact CD2-CG1 3.82Å; L182-V213 HydrophobicContact CD2-CG2 3.85Å; V194-V213 CarbonylContact C-O 3.53Å; V194-V213 WeakPolarHBondContact CA-O 3.41Å; F195-V213 PolarHBondContact N-O 2.94Å; F195-V213 PolarHBondContact O-N 3.5Å; V211-V213 HydrophobicContact CG2-CG2 3.69Å; V213-M257 HydrophobicContact CG1-CB 3.75Å; V213-M257 HydrophobicContact CG1-CG 4.12Å; V213-M257 HydrophobicContact CG1-SD 3.78Å; V213-V258 CarbonylContact C-O 3.59Å; V213-V258 WeakPolarHBondContact CA-O 3.48Å; V213-V259 HydrophobicContact CG1-CG2 4.39Å; V213-V259 HydrophobicContact CG2-CG2 4.5Å
214	K	94.6	Very high	88.8	Confident	9 Å²	9	61.4 Å²	61.4	4%	0.039	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	127	168.6	-154.1	-178.2	-159.3	179.6	0	106.2	E193 V194 F228 E231 M257 V258 M260 D324	E193-K214 CarbonylContact O-C 3.59Å; E193-K214 WeakPolarHBondContact O-CA 3.24Å; V194-K214 HydrophobicContact CG2-CG 4.21Å; K214-F228 HydrophobicContact CB-CE2 4.28Å; K214-F228 HydrophobicContact CB-CZ 4.47Å; K214-F228 HydrophobicContact CD-CE2 4.13Å; K214-F228 HydrophobicContact CG-CE2 4.01Å; K214-F228 WeakPolarHBondContact O-CZ 3.48Å; K214-E231 IonicContact NZ-OE1 3.14Å; K214-E231 PolarHBondContact NZ-OE1 2.88Å; K214-E231 IonicContact NZ-OE2 2.72Å; K214-E231 PolarHBondContact NZ-OE2 2.81Å; K214-M257 CarbonylContact O-C 3.56Å; K214-M257 VanDerWaalsContact O-CA 3.29Å; K214-M257 WeakPolarHBondContact O-CA 3.25Å; K214-V258 HydrophobicContact CB-CB 4.31Å; K214-V258 PolarHBondContact N-O 2.86Å; K214-V258 PolarHBondContact O-N 2.83Å; K214-M260 HydrophobicContact CB-CE 4.24Å; K214-D324 IonicContact NZ-OD1 3.34Å; K214-D324 PolarHBondContact NZ-OD1 2.75Å
215	R	92.8	Very high	88.7	Confident	69 Å²	69	60.6 Å²	60.6	26%	0.26	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	141.3	174.4	75.8	176.7	-170.8	-173.8	0.4	111	G192 E193 F195 I256 M257	G192-R215 WeakPolarHBondContact CA-O 3.36Å; E193-R215 HydrophobicContact CB-CG 4.18Å; E193-R215 PolarHBondContact N-O 3.37Å; E193-R215 PolarHBondContact O-N 3.13Å; E193-R215 IonicContact OE2-CZ 3.34Å; E193-R215 IonicContact OE2-NE 2.66Å; E193-R215 PolarHBondContact OE2-NE 3.39Å; E193-R215 IonicContact OE2-NH2 2.66Å; E193-R215 PolarHBondContact OE2-NH2 2.91Å; F195-R215 HydrophobicContact CD2-CG 4.31Å; F195-R215 HydrophobicContact CE2-CG 4.15Å; F195-R215 VanDerWaalsContact CE2-CZ 3.47Å; F195-R215 VanDerWaalsContact CE2-NE 3.26Å; R215-I256 WeakPolarHBondContact CA-O 3.47Å; R215-M257 HydrophobicContact CB-CG 4.14Å
216	I	86.8	Confident	88.5	Confident	10 Å²	10	56.9 Å²	56.9	5%	0.051	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	148.7	174.5	-155.6	169.1	0	0	0	110.9	A220 I225 F228 I256	I216-A220 HydrophobicContact CD1-CB 3.51Å; I216-A220 HydrophobicContact CG1-CB 3.63Å; I216-I225 HydrophobicContact CD1-CB 4.23Å; I216-I225 HydrophobicContact CD1-CG1 3.68Å; I216-F228 HydrophobicContact CB-CD2 4.3Å; I216-F228 HydrophobicContact CB-CE2 4.34Å; I216-F228 HydrophobicContact CB-CG 4.44Å; I216-F228 HydrophobicContact CD1-CB 4.05Å; I216-F228 HydrophobicContact CD1-CG 4.26Å; I216-I256 HydrophobicContact CG2-CB 3.9Å; I216-I256 HydrophobicContact CG2-CG1 4.26Å; I216-I256 PolarHBondContact N-O 2.67Å
217	L	77.9	Confident	88.2	Confident	83 Å²	83	54.7 Å²	54.7	44%	0.435	29%	0.291	S	S	.	.			trans	-75.7	139.8	173.5	-64.3	174.3	0	0	0	110.2	E193 N219 A220	E193-L217 HydrophobicContact CG-CD2 3.95Å; L217-N219 PolarHBondContact O-N 3.01Å; L217-A220 VanDerWaalsContact O-CB 3.26Å; L217-A220 WeakPolarHBondContact O-CB 3.24Å; L217-A220 PolarHBondContact O-N 3.07Å
218	G	71	Confident	88	Confident	65 Å²	65	50 Å²	50	67%	0.67	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-16.8	-169.8	0	0	0	0	0	116.4
219	N	76.6	Confident	87.7	Confident	141 Å²	141	48 Å²	48	75%	0.754	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.2	18.5	176.7	66.8	-12.5	0	0	0	113.8	L217	L217-N219 PolarHBondContact O-N 3.01Å
220	A	79.9	Confident	87.4	Confident	16 Å²	16	47.8 Å²	47.8	13%	0.132	25%	0.246	C	C	.	.			trans	-63.3	135.1	-178.6	0	0	0	0	0	113.2	I216 L217 Q224 I225	I216-A220 HydrophobicContact CD1-CB 3.51Å; I216-A220 HydrophobicContact CG1-CB 3.63Å; L217-A220 VanDerWaalsContact O-CB 3.26Å; L217-A220 WeakPolarHBondContact O-CB 3.24Å; L217-A220 PolarHBondContact O-N 3.07Å; A220-Q224 HydrophobicContact CB-CB 4.08Å; A220-I225 HydrophobicContact CB-CG1 4.03Å
221	K	84.1	Confident	87.2	Confident	159 Å²	159	43.1 Å²	43.1	69%	0.691	23%	0.225	S	C	*	.			trans	-72.5	155.8	176	-61.5	175.8	-180	177.6	0	110.5	K223 Q224 I225	K221-K223 PolarHBondContact O-N 3Å; K221-Q224 WeakPolarHBondContact O-CA 3.47Å; K221-Q224 WeakPolarHBondContact O-CB 3.46Å; K221-Q224 PolarHBondContact O-N 3.25Å; K221-I225 PolarHBondContact O-N 3.22Å; K221-I225 VanDerWaalsContact O-N 3.09Å
222	R	85.8	Confident	86.9	Confident	36 Å²	36	43.2 Å²	43.2	14%	0.136	23%	0.225	C	C	.	.	H	α-helix	trans	-42.7	-44.5	175	-179.5	179.5	159	98.1	-10.6	113.3	D23 D27 F82 I102 Q224 I225 Q226	D23-R222 PolarHBondContact O-NH2 3.43Å; D27-R222 IonicContact OD2-CZ 2.74Å; D27-R222 VanDerWaalsContact OD2-CZ 3.26Å; D27-R222 IonicContact OD2-NH1 2.75Å; D27-R222 PolarHBondContact OD2-NH1 3.29Å; D27-R222 IonicContact OD2-NH2 3.98Å; D27-R222 PolarHBondContact OD2-NH2 2.95Å; F82-R222 HydrophobicContact CE1-CG 3.82Å; F82-R222 HydrophobicContact CZ-CG 4.41Å; I102-R222 HydrophobicContact CG2-CB 4.06Å; I102-R222 HydrophobicContact CG2-CG 4.12Å; I102-R222 PolarHBondContact O-NH1 3Å; R222-Q224 PolarHBondContact O-N 3.12Å; R222-I225 PolarHBondContact O-N 3.07Å; R222-Q226 WeakPolarHBondContact O-CB 3.42Å; R222-Q226 PolarHBondContact O-N 2.96Å
223	K	83.7	Confident	86.6	Confident	86 Å²	86	46 Å²	46	37%	0.374	24%	0.237	S	C	.	.	H	α-helix	trans	-58.2	-44.2	176.7	-177.9	-178.8	176.2	-178.6	0	112.6	K221 Q226 E227 N338 E340	K221-K223 PolarHBondContact O-N 3Å; K223-Q226 PolarHBondContact O-N 2.7Å; K223-E227 WeakPolarHBondContact CE-OE1 3.23Å; K223-E227 WeakPolarHBondContact O-CB 3.42Å; K223-E227 VanDerWaalsContact O-CG 3.27Å; K223-E227 WeakPolarHBondContact O-CG 3.42Å; K223-E227 PolarHBondContact O-N 3.07Å; K223-N338 VanDerWaalsContact CE-ND2 3.33Å; K223-N338 WeakPolarHBondContact CE-ND2 3.31Å; K223-N338 PolarHBondContact NZ-ND2 3.05Å; K223-N338 PolarHBondContact NZ-OD1 3.39Å; K223-E340 IonicContact NZ-OE2 3.2Å; K223-E340 PolarHBondContact NZ-OE2 3.24Å
224	Q	84.7	Confident	86.5	Confident	70 Å²	70	46.2 Å²	46.2	33%	0.327	24%	0.238	S	C	.	.	H	α-helix	trans	-70.1	-37.6	179.1	-65.9	168.1	-78.3	0	0	111.7	A220 K221 R222 F228	A220-Q224 HydrophobicContact CB-CB 4.08Å; K221-Q224 WeakPolarHBondContact O-CA 3.47Å; K221-Q224 WeakPolarHBondContact O-CB 3.46Å; K221-Q224 PolarHBondContact O-N 3.25Å; R222-Q224 PolarHBondContact O-N 3.12Å; Q224-F228 WeakPolarHBondContact O-CB 3.38Å; Q224-F228 PolarHBondContact O-N 3.28Å
225	I	87.7	Confident	86.5	Confident	7 Å²	7	46 Å²	46	4%	0.036	24%	0.237	C	C	.	.	H	α-helix	trans	-65.8	-41.2	174.2	-58.9	165.1	0	0	0	110.2	V80 F82 I102 I216 A220 K221 R222 F228 C229 I256	V80-I225 HydrophobicContact CG1-CG2 4.07Å; F82-I225 HydrophobicContact CE2-CG2 4.06Å; F82-I225 HydrophobicContact CZ-CB 4.31Å; F82-I225 HydrophobicContact CZ-CG2 4.07Å; I102-I225 HydrophobicContact CD1-CB 4.22Å; I102-I225 HydrophobicContact CD1-CD1 3.75Å; I102-I225 HydrophobicContact CD1-CG2 3.58Å; I216-I225 HydrophobicContact CD1-CB 4.23Å; I216-I225 HydrophobicContact CD1-CG1 3.68Å; A220-I225 HydrophobicContact CB-CG1 4.03Å; K221-I225 PolarHBondContact O-N 3.22Å; K221-I225 VanDerWaalsContact O-N 3.09Å; R222-I225 PolarHBondContact O-N 3.07Å; I225-F228 PolarHBondContact O-N 2.88Å; I225-C229 WeakPolarHBondContact O-CB 3.36Å; I225-C229 PolarHBondContact O-N 2.96Å; I225-C229 PolarHBondContact O-SG 3.39Å; I225-C229 VanDerWaalsContact O-SG 3.34Å; I225-I256 HydrophobicContact CG2-CD1 3.68Å
226	Q	87.3	Confident	86.5	Confident	59 Å²	59	44.2 Å²	44.2	28%	0.276	23%	0.234	S	C	.	.	H	α-helix	trans	-64.4	-45.2	176.6	-167.1	174.8	0.6	0	0	111.9	D23 F82 R222 K223 F228 C229 N230	D23-Q226 PolarHBondContact OD2-NE2 3.35Å; D23-Q226 VanDerWaalsContact OD2-NE2 3.12Å; F82-Q226 HydrophobicContact CD1-CG 4.49Å; F82-Q226 HydrophobicContact CE1-CB 3.9Å; F82-Q226 HydrophobicContact CE1-CG 4.15Å; F82-Q226 HydrophobicContact CE2-CB 4.09Å; F82-Q226 HydrophobicContact CE2-CG 4.4Å; F82-Q226 HydrophobicContact CZ-CB 3.56Å; F82-Q226 HydrophobicContact CZ-CG 4.13Å; R222-Q226 WeakPolarHBondContact O-CB 3.42Å; R222-Q226 PolarHBondContact O-N 2.96Å; K223-Q226 PolarHBondContact O-N 2.7Å; Q226-F228 VanDerWaalsContact C-N 3.32Å; Q226-F228 PolarHBondContact O-N 2.92Å; Q226-C229 PolarHBondContact O-N 3.5Å; Q226-N230 VanDerWaalsContact O-CB 3.3Å; Q226-N230 WeakPolarHBondContact O-CB 3.48Å; Q226-N230 PolarHBondContact O-N 2.81Å
227	E	85.7	Confident	86.8	Confident	28 Å²	28	46.8 Å²	46.8	13%	0.131	25%	0.25	C	C	.	.	H	α-helix	trans	-57.5	-43.5	173.3	-73.7	167.9	-176	0	0	111.5	F191 K223 N230 E231 K341	F191-E227 HydrophobicContact CD1-CB 4.12Å; F191-E227 HydrophobicContact CE1-CB 3.83Å; F191-E227 HydrophobicContact CE1-CG 4.42Å; F191-E227 WeakPolarHBondContact CE1-OE2 3.32Å; K223-E227 WeakPolarHBondContact CE-OE1 3.23Å; K223-E227 WeakPolarHBondContact O-CB 3.42Å; K223-E227 VanDerWaalsContact O-CG 3.27Å; K223-E227 WeakPolarHBondContact O-CG 3.42Å; K223-E227 PolarHBondContact O-N 3.07Å; E227-N230 PolarHBondContact O-N 3.21Å; E227-E231 PolarHBondContact O-N 3.22Å; E227-K341 IonicContact OE2-NZ 2.72Å; E227-K341 PolarHBondContact OE2-NZ 3.43Å
228	F	89.8	Confident	87.6	Confident	1 Å²	1	43.3 Å²	43.3	0%	0.004	23%	0.232	C	C	.	.	H	α-helix	trans	-69.5	-38.9	179.1	-169	-87.9	0	0	0	113.4	F191 K214 I216 Q224 I225 Q226 E231 A232 I256 V258	F191-F228 HydrophobicContact CB-CD2 4.22Å; K214-F228 HydrophobicContact CB-CE2 4.28Å; K214-F228 HydrophobicContact CB-CZ 4.47Å; K214-F228 HydrophobicContact CD-CE2 4.13Å; K214-F228 HydrophobicContact CG-CE2 4.01Å; K214-F228 WeakPolarHBondContact O-CZ 3.48Å; I216-F228 HydrophobicContact CB-CD2 4.3Å; I216-F228 HydrophobicContact CB-CE2 4.34Å; I216-F228 HydrophobicContact CB-CG 4.44Å; I216-F228 HydrophobicContact CD1-CB 4.05Å; I216-F228 HydrophobicContact CD1-CG 4.26Å; Q224-F228 WeakPolarHBondContact O-CB 3.38Å; Q224-F228 PolarHBondContact O-N 3.28Å; I225-F228 PolarHBondContact O-N 2.88Å; Q226-F228 VanDerWaalsContact C-N 3.32Å; Q226-F228 PolarHBondContact O-N 2.92Å; F228-E231 WeakPolarHBondContact O-CB 3.44Å; F228-E231 PolarHBondContact O-N 2.95Å; F228-A232 PolarHBondContact O-N 2.79Å; F228-I256 HydrophobicContact CD1-CB 4.5Å; F228-I256 HydrophobicContact CD1-CG2 4.03Å; F228-I256 HydrophobicContact CE1-CB 4.23Å; F228-I256 HydrophobicContact CE1-CG2 3.79Å; F228-V258 HydrophobicContact CD1-CG2 4.41Å; F228-V258 HydrophobicContact CE1-CG2 3.72Å; F228-V258 HydrophobicContact CZ-CB 4.24Å; F228-V258 HydrophobicContact CZ-CG2 3.87Å
229	C	89.4	Confident	88.8	Confident	12 Å²	12	45.9 Å²	45.9	8%	0.081	23%	0.226	C	C	.	.	H	α-helix	trans	-67.9	-40.8	173.9	-71.4	0	0	0	0	111.8	F82 I225 Q226 E231 A232 Q233	F82-C229 HydrophobicContact CE2-CB 4.24Å; I225-C229 WeakPolarHBondContact O-CB 3.36Å; I225-C229 PolarHBondContact O-N 2.96Å; I225-C229 PolarHBondContact O-SG 3.39Å; I225-C229 VanDerWaalsContact O-SG 3.34Å; Q226-C229 PolarHBondContact O-N 3.5Å; C229-E231 VanDerWaalsContact C-N 3.32Å; C229-E231 PolarHBondContact O-N 3.19Å; C229-A232 PolarHBondContact O-N 2.8Å; C229-Q233 WeakPolarHBondContact O-CG 3.11Å; C229-Q233 PolarHBondContact O-N 3.07Å
230	N	89.4	Confident	89.8	Confident	45 Å²	45	41.5 Å²	41.5	24%	0.241	20%	0.201	C	C	.	.	H	α-helix	trans	-60.2	-40.5	174.4	172.1	82.3	0	0	0	111.7	Q226 E227 A232 Q233 I234 S328	Q226-N230 VanDerWaalsContact O-CB 3.3Å; Q226-N230 WeakPolarHBondContact O-CB 3.48Å; Q226-N230 PolarHBondContact O-N 2.81Å; E227-N230 PolarHBondContact O-N 3.21Å; N230-A232 PolarHBondContact O-N 3.44Å; N230-Q233 PolarHBondContact O-N 3.42Å; N230-I234 WeakPolarHBondContact O-CG1 3.26Å; N230-I234 PolarHBondContact O-N 3.27Å; N230-S328 PolarHBondContact ND2-O 3.44Å
231	E	92.1	Very high	90.7	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.005	22%	0.216	C	C	.	.	H	α-helix	trans	-55.8	-50.2	173.1	-171.5	176.5	176.9	0	0	111.7	K214 E227 F228 C229 Q233 I234 M235 F325	K214-E231 IonicContact NZ-OE1 3.14Å; K214-E231 PolarHBondContact NZ-OE1 2.88Å; K214-E231 IonicContact NZ-OE2 2.72Å; K214-E231 PolarHBondContact NZ-OE2 2.81Å; E227-E231 PolarHBondContact O-N 3.22Å; F228-E231 WeakPolarHBondContact O-CB 3.44Å; F228-E231 PolarHBondContact O-N 2.95Å; C229-E231 VanDerWaalsContact C-N 3.32Å; C229-E231 PolarHBondContact O-N 3.19Å; E231-Q233 VanDerWaalsContact C-N 3.3Å; E231-Q233 PolarHBondContact O-N 3.47Å; E231-I234 PolarHBondContact O-N 3.46Å; E231-M235 HydrophobicContact CG-SD 4.29Å; E231-M235 WeakPolarHBondContact O-CB 3.32Å; E231-M235 VanDerWaalsContact O-CG 3.3Å; E231-M235 WeakPolarHBondContact O-CG 3.14Å; E231-M235 PolarHBondContact O-N 2.77Å; E231-F325 HydrophobicContact CG-CB 3.92Å
232	A	92.1	Very high	91.4	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.008	18%	0.184	C	C	.	.	H	α-helix	trans	-62	-36	178.4	0	0	0	0	0	113.2	F228 C229 N230 T236 F246 F249 V258	F228-A232 PolarHBondContact O-N 2.79Å; C229-A232 PolarHBondContact O-N 2.8Å; N230-A232 PolarHBondContact O-N 3.44Å; A232-T236 PolarHBondContact O-N 2.88Å; A232-T236 VanDerWaalsContact O-N 3.14Å; A232-T236 PolarHBondContact O-OG1 2.91Å; A232-F246 HydrophobicContact CB-CE2 4.36Å; A232-F246 HydrophobicContact CB-CZ 4.44Å; A232-F246 WeakPolarHBondContact O-CZ 3.23Å; A232-F249 HydrophobicContact CB-CB 3.98Å; A232-F249 HydrophobicContact CB-CD1 4.41Å; A232-F249 HydrophobicContact CB-CD2 4.46Å; A232-F249 HydrophobicContact CB-CG 4.06Å; A232-V258 HydrophobicContact CB-CG2 3.74Å
233	Q	91.2	Very high	92	Very high	68 Å²	68	36.3 Å²	36.3	32%	0.318	18%	0.178	S	C	.	.	H	α-helix	trans	-69.6	-45.8	177.5	-73.7	175	-35.6	0	0	112	E85 C229 N230 E231 M235 T236	E85-Q233 VanDerWaalsContact CG-NE2 3.31Å; E85-Q233 PolarHBondContact OE2-NE2 3.17Å; C229-Q233 WeakPolarHBondContact O-CG 3.11Å; C229-Q233 PolarHBondContact O-N 3.07Å; N230-Q233 PolarHBondContact O-N 3.42Å; E231-Q233 VanDerWaalsContact C-N 3.3Å; E231-Q233 PolarHBondContact O-N 3.47Å; Q233-M235 VanDerWaalsContact C-N 3.33Å; Q233-M235 PolarHBondContact O-N 3.25Å; Q233-T236 WeakPolarHBondContact O-CB 3.14Å; Q233-T236 PolarHBondContact O-N 3.43Å; Q233-T236 VanDerWaalsContact O-N 3.15Å
234	I	93.4	Very high	92.6	Very high	5 Å²	5	32.2 Å²	32.2	3%	0.026	16%	0.161	C	C	.	.	H	α-helix	trans	-60.4	-45.2	174.9	-73.2	174.8	0	0	0	110.3	N230 E231 T236 V237 L238 I302 F325 S328	N230-I234 WeakPolarHBondContact O-CG1 3.26Å; N230-I234 PolarHBondContact O-N 3.27Å; E231-I234 PolarHBondContact O-N 3.46Å; I234-T236 PolarHBondContact O-N 3.07Å; I234-V237 WeakPolarHBondContact O-CG2 3.35Å; I234-V237 PolarHBondContact O-N 3.21Å; I234-L238 HydrophobicContact CG2-CD1 4.02Å; I234-L238 WeakPolarHBondContact O-CG 3.3Å; I234-I302 HydrophobicContact CG2-CD1 3.99Å; I234-I302 HydrophobicContact CG2-CG1 4.34Å; I234-I302 HydrophobicContact CG2-CG2 3.87Å; I234-F325 HydrophobicContact CG2-CB 4.25Å; I234-F325 HydrophobicContact CG2-CD1 4.08Å; I234-F325 HydrophobicContact CG2-CG 4.39Å; I234-S328 WeakPolarHBondContact CD1-O 3.43Å
235	M	95.3	Very high	93.2	Very high	5 Å²	5	29.8 Å²	29.8	3%	0.025	15%	0.152	C	C	.	.	H	α-helix	trans	-62.9	-24.8	177.6	-71.8	-172.5	80.9	0	0	113.8	E231 Q233 V237 L238 F246 V258 M260 F325	E231-M235 HydrophobicContact CG-SD 4.29Å; E231-M235 WeakPolarHBondContact O-CB 3.32Å; E231-M235 VanDerWaalsContact O-CG 3.3Å; E231-M235 WeakPolarHBondContact O-CG 3.14Å; E231-M235 PolarHBondContact O-N 2.77Å; Q233-M235 VanDerWaalsContact C-N 3.33Å; Q233-M235 PolarHBondContact O-N 3.25Å; M235-V237 VanDerWaalsContact C-N 3.28Å; M235-V237 PolarHBondContact O-N 2.98Å; M235-L238 PolarHBondContact O-N 3.32Å; M235-F246 HydrophobicContact CB-CB 3.98Å; M235-F246 HydrophobicContact CB-CD2 3.53Å; M235-F246 HydrophobicContact CB-CE2 4.06Å; M235-F246 HydrophobicContact CB-CG 3.79Å; M235-F246 HydrophobicContact CE-CB 4.26Å; M235-F246 HydrophobicContact CE-CD2 4.22Å; M235-F246 HydrophobicContact CG-CD2 4.47Å; M235-F246 WeakPolarHBondContact O-CB 3.47Å; M235-F246 HydrophobicContact SD-CD2 4.22Å; M235-V258 HydrophobicContact SD-CG1 4.23Å; M235-M260 HydrophobicContact CE-CB 4.21Å; M235-M260 HydrophobicContact CE-CE 4.12Å; M235-M260 HydrophobicContact CE-SD 4.5Å; M235-M260 HydrophobicContact SD-CE 4.2Å; M235-F325 HydrophobicContact CE-CD2 4.34Å; M235-F325 HydrophobicContact CG-CB 4.26Å; M235-F325 HydrophobicContact CG-CD2 3.67Å; M235-F325 HydrophobicContact CG-CE2 4.37Å; M235-F325 HydrophobicContact CG-CG 4.14Å; M235-F325 HydrophobicContact SD-CD2 4.07Å
236	T	92.4	Very high	93.6	Very high	30 Å²	30	30.1 Å²	30.1	18%	0.184	15%	0.153	C	C	.	.	H	α-helix	trans	-64.6	-27.6	178.8	-64.9	0	0	0	0	113.2	N173 A232 Q233 I234 F246	N173-T236 WeakPolarHBondContact ND2-CG2 3.21Å; N173-T236 PolarHBondContact ND2-OG1 3.33Å; N173-T236 VanDerWaalsContact ND2-OG1 3.16Å; A232-T236 PolarHBondContact O-N 2.88Å; A232-T236 VanDerWaalsContact O-N 3.14Å; A232-T236 PolarHBondContact O-OG1 2.91Å; Q233-T236 WeakPolarHBondContact O-CB 3.14Å; Q233-T236 PolarHBondContact O-N 3.43Å; Q233-T236 VanDerWaalsContact O-N 3.15Å; I234-T236 PolarHBondContact O-N 3.07Å; T236-F246 WeakPolarHBondContact OG1-CE1 3.3Å
237	V	92.7	Very high	93.9	Very high	64 Å²	64	28.9 Å²	28.9	39%	0.388	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.1	2.2	-178.8	-60.1	0	0	0	0	114.2	I234 M235 K300 I302	I234-V237 WeakPolarHBondContact O-CG2 3.35Å; I234-V237 PolarHBondContact O-N 3.21Å; M235-V237 VanDerWaalsContact C-N 3.28Å; M235-V237 PolarHBondContact O-N 2.98Å; V237-K300 WeakPolarHBondContact O-CE 3.42Å; V237-I302 HydrophobicContact CG2-CD1 3.72Å
238	L	95.5	Very high	94.4	Very high	11 Å²	11	27.5 Å²	27.5	6%	0.058	14%	0.14	C	C	.	.			trans	-101.4	116.5	-177.2	-68.6	176.8	0	0	0	111.2	I234 M235 I243 L297 K300 I302 F325	I234-L238 HydrophobicContact CG2-CD1 4.02Å; I234-L238 WeakPolarHBondContact O-CG 3.3Å; M235-L238 PolarHBondContact O-N 3.32Å; L238-I243 HydrophobicContact CB-CD1 4.44Å; L238-I243 HydrophobicContact CB-CG2 4.34Å; L238-I243 HydrophobicContact CD1-CG2 4.49Å; L238-I243 HydrophobicContact CD2-CD1 4.05Å; L238-L297 HydrophobicContact CD1-CD1 4.45Å; L238-L297 HydrophobicContact CD2-CD1 3.97Å; L238-L297 HydrophobicContact CD2-CG 4.39Å; L238-K300 HydrophobicContact CD2-CG 4.43Å; L238-I302 HydrophobicContact CD1-CD1 4.26Å; L238-I302 HydrophobicContact CD2-CD1 3.55Å; L238-I302 HydrophobicContact CG-CD1 3.86Å; L238-F325 HydrophobicContact CD1-CD1 3.84Å; L238-F325 HydrophobicContact CD1-CE1 3.39Å; L238-F325 HydrophobicContact CD1-CE2 4.22Å; L238-F325 HydrophobicContact CD1-CG 4.41Å; L238-F325 HydrophobicContact CD1-CZ 3.63Å
239	Q	96	Very high	94.6	Very high	118 Å²	118	29 Å²	29	55%	0.551	15%	0.147	S	C	*	.			trans	-141	102.6	173.2	-169.2	-177.3	15	0	0	109.7	H296	Q239-H296 PolarHBondContact O-CE1 2.95Å
240	H	98.1	Very high	94.9	Very high	50 Å²	50	28.4 Å²	28.4	23%	0.231	14%	0.143	C	C	.	.			trans	-155.5	150.1	-175.5	-169.3	-105.1	0	0	0	111.1	N242 I243 S292 H296	H240-N242 VanDerWaalsContact C-N 3.25Å; H240-N242 PolarHBondContact CE1-OD1 2.92Å; H240-N242 PolarHBondContact ND1-N 3.38Å; H240-N242 PolarHBondContact O-N 3.01Å; H240-I243 HydrophobicContact CB-CB 4.21Å; H240-I243 HydrophobicContact CB-CD1 3.7Å; H240-I243 HydrophobicContact CB-CG1 3.93Å; H240-I243 PolarHBondContact O-N 3.04Å; H240-S292 VanDerWaalsContact CE1-C 3.48Å; H240-S292 PolarHBondContact CE1-O 2.84Å; H240-S292 PolarHBondContact CE1-OG 3.21Å; H240-H296 HydrophobicContact CB-CB 4.22Å; H240-H296 AromaticContact CD2-CG 4Å; H240-H296 AromaticContact CD2-ND1 3.87Å; H240-H296 AromaticContact CG-CG 3.97Å
241	E	97.7	Very high	95.1	Very high	94 Å²	94	26.3 Å²	26.3	44%	0.439	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-26.5	-176.8	73.9	173.3	117.3	0	0	113.6	K319 K321	E241-K319 IonicContact OE2-NZ 2.84Å; E241-K319 PolarHBondContact OE2-NZ 2.76Å; E241-K321 WeakPolarHBondContact O-CE 3.37Å
242	N	98.5	Very high	95.2	Very high	4 Å²	4	26.3 Å²	26.3	2%	0.021	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.7	24.3	177.8	-54.5	113.3	0	0	0	113.3	H240 N289 S292 A320 K321 I322	H240-N242 VanDerWaalsContact C-N 3.25Å; H240-N242 PolarHBondContact CE1-OD1 2.92Å; H240-N242 PolarHBondContact ND1-N 3.38Å; H240-N242 PolarHBondContact O-N 3.01Å; N242-N289 WeakPolarHBondContact CB-O 3.45Å; N242-N289 VanDerWaalsContact ND2-CB 3.29Å; N242-N289 WeakPolarHBondContact ND2-CB 3.48Å; N242-N289 VanDerWaalsContact ND2-CG 3.26Å; N242-N289 PolarHBondContact ND2-OD1 3.37Å; N242-N289 PolarHBondContact OD1-O 2.85Å; N242-S292 WeakPolarHBondContact OD1-CB 3.5Å; N242-A320 PolarHBondContact ND2-O 3.06Å; N242-A320 VanDerWaalsContact ND2-O 3.08Å; N242-K321 WeakPolarHBondContact O-CA 3.13Å; N242-I322 PolarHBondContact O-N 3.13Å
243	I	98.4	Very high	95.2	Very high	3 Å²	3	27.5 Å²	27.5	2%	0.015	14%	0.137	C	C	.	.	B	Isolated β-bridge	trans	-127.6	141.4	171.3	-61.9	174.1	0	0	0	107.4	L238 H240 A245 H296 L297 F325	L238-I243 HydrophobicContact CB-CD1 4.44Å; L238-I243 HydrophobicContact CB-CG2 4.34Å; L238-I243 HydrophobicContact CD1-CG2 4.49Å; L238-I243 HydrophobicContact CD2-CD1 4.05Å; H240-I243 HydrophobicContact CB-CB 4.21Å; H240-I243 HydrophobicContact CB-CD1 3.7Å; H240-I243 HydrophobicContact CB-CG1 3.93Å; H240-I243 PolarHBondContact O-N 3.04Å; I243-A245 PolarHBondContact O-N 2.91Å; I243-H296 HydrophobicContact CD1-CB 4.31Å; I243-L297 HydrophobicContact CD1-CD1 3.34Å; I243-L297 HydrophobicContact CG1-CD1 4.14Å; I243-F325 HydrophobicContact CG2-CE2 4Å; I243-F325 HydrophobicContact CG2-CZ 3.7Å
244	V	97.5	Very high	95.1	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.006	13%	0.131	C	C	.	.	P	Polyproline II helix	trans	-60.9	120.8	173.7	173.5	0	0	0	0	109.1	M260 E261 V263 L313 K321 I322	V244-M260 HydrophobicContact CG1-CB 4.02Å; V244-M260 HydrophobicContact CG1-CG 4.07Å; V244-M260 HydrophobicContact CG1-SD 3.97Å; V244-E261 HydrophobicContact CG1-CB 4.15Å; V244-V263 HydrophobicContact CG2-CG2 4.11Å; V244-L313 HydrophobicContact CG2-CD1 3.87Å; V244-L313 HydrophobicContact CG2-CG 4.46Å; V244-K321 HydrophobicContact CG2-CB 4.05Å; V244-I322 WeakPolarHBondContact CG2-O 3.42Å; V244-I322 PolarHBondContact N-O 3.43Å
245	A	96.9	Very high	95	Very high	19 Å²	19	28 Å²	28	16%	0.157	14%	0.143	C	C	.	.	P	Polyproline II helix	trans	-68.8	137.9	-175.2	0	0	0	0	0	112	I243 Y247 M260 E261	I243-A245 PolarHBondContact O-N 2.91Å; A245-Y247 HydrophobicContact CB-CE1 4.34Å; A245-M260 CarbonylContact O-C 3.59Å; A245-M260 VanDerWaalsContact O-CA 3.31Å; A245-M260 WeakPolarHBondContact O-CA 3.31Å; A245-M260 WeakPolarHBondContact O-CB 3.25Å; A245-E261 HydrophobicContact CB-CB 4.11Å; A245-E261 PolarHBondContact N-OE2 3.2Å; A245-E261 PolarHBondContact O-N 2.82Å
246	F	96	Very high	94.8	Very high	13 Å²	13	28 Å²	28	6%	0.057	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	135.1	175.5	-179.6	-109.6	0	0	0	110.6	N173 A232 M235 T236 G248 F249 V258	N173-F246 HydrophobicContact CB-CE1 4.13Å; A232-F246 HydrophobicContact CB-CE2 4.36Å; A232-F246 HydrophobicContact CB-CZ 4.44Å; A232-F246 WeakPolarHBondContact O-CZ 3.23Å; M235-F246 HydrophobicContact CB-CB 3.98Å; M235-F246 HydrophobicContact CB-CD2 3.53Å; M235-F246 HydrophobicContact CB-CE2 4.06Å; M235-F246 HydrophobicContact CB-CG 3.79Å; M235-F246 HydrophobicContact CE-CB 4.26Å; M235-F246 HydrophobicContact CE-CD2 4.22Å; M235-F246 HydrophobicContact CG-CD2 4.47Å; M235-F246 WeakPolarHBondContact O-CB 3.47Å; M235-F246 HydrophobicContact SD-CD2 4.22Å; T236-F246 WeakPolarHBondContact OG1-CE1 3.3Å; F246-G248 WeakPolarHBondContact CE2-O 3.42Å; F246-F249 HydrophobicContact CZ-CB 4.36Å; F246-F249 AromaticContact CZ-CD1 3.97Å; F246-F249 HydrophobicContact CZ-CD1 3.97Å; F246-V258 HydrophobicContact CD2-CG1 4.2Å; F246-V258 HydrophobicContact CE2-CG1 3.97Å
247	Y	95	Very high	95	Very high	33 Å²	33	27.2 Å²	27.2	13%	0.129	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	-26.9	176.2	-60.4	-37.5	0	0	0	112.6	I209 V211 A245 V259 E261 L508 M512	I209-Y247 HydrophobicContact CD1-CD2 3.98Å; I209-Y247 HydrophobicContact CD1-CE1 4.38Å; I209-Y247 HydrophobicContact CD1-CE2 3.7Å; I209-Y247 HydrophobicContact CD1-CG 4.43Å; V211-Y247 HydrophobicContact CG1-CD2 3.66Å; V211-Y247 HydrophobicContact CG1-CE2 3.82Å; A245-Y247 HydrophobicContact CB-CE1 4.34Å; Y247-V259 HydrophobicContact CD2-CG1 4.3Å; Y247-V259 PolarHBondContact N-O 3.27Å; Y247-E261 HydrophobicContact CE2-CB 4.37Å; Y247-L508 HydrophobicContact CD1-CD2 3.93Å; Y247-L508 HydrophobicContact CE1-CD2 3.76Å; Y247-M512 WeakPolarHBondContact O-CE 3.38Å
248	G	95.3	Very high	95.1	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	154.7	-172.6	175.4	0	0	0	0	0	112.2	N173 F246 V259	N173-G248 CarbonylContact O-C 3.53Å; N173-G248 WeakPolarHBondContact O-CA 3.43Å; F246-G248 WeakPolarHBondContact CE2-O 3.42Å; G248-V259 PolarHBondContact N-O 2.71Å; G248-V259 PolarHBondContact O-N 2.71Å
249	F	94.8	Very high	95.1	Very high	32 Å²	32	23.7 Å²	23.7	14%	0.14	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	141.5	178.6	69.1	-72.7	0	0	0	110.2	N173 V174 L175 A232 F246 M257 V258	N173-F249 HydrophobicContact CB-CD1 4.47Å; N173-F249 HydrophobicContact CB-CE1 4.38Å; N173-F249 WeakPolarHBondContact O-CD1 3.35Å; N173-F249 PolarHBondContact O-N 3.43Å; V174-F249 CarbonylContact C-O 3.43Å; V174-F249 WeakPolarHBondContact CA-O 3.22Å; V174-F249 HydrophobicContact CG2-CE1 3.84Å; V174-F249 HydrophobicContact CG2-CE2 4.28Å; V174-F249 HydrophobicContact CG2-CZ 3.61Å; L175-F249 PolarHBondContact N-O 3.22Å; A232-F249 HydrophobicContact CB-CB 3.98Å; A232-F249 HydrophobicContact CB-CD1 4.41Å; A232-F249 HydrophobicContact CB-CD2 4.46Å; A232-F249 HydrophobicContact CB-CG 4.06Å; F246-F249 HydrophobicContact CZ-CB 4.36Å; F246-F249 AromaticContact CZ-CD1 3.97Å; F246-F249 HydrophobicContact CZ-CD1 3.97Å; F249-M257 CarbonylContact C-O 3.6Å; F249-M257 WeakPolarHBondContact CA-O 3.19Å; F249-M257 WeakPolarHBondContact CB-O 3.46Å; F249-V258 HydrophobicContact CB-CG2 4.19Å
250	A	94.9	Very high	95.2	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	101.1	-179.3	0	0	0	0	0	108.2	L175 H177 I180 I256 M257	L175-A250 HydrophobicContact CB-CB 4.32Å; H177-A250 VanDerWaalsContact CE1-C 3.41Å; H177-A250 WeakPolarHBondContact CE1-CB 3.28Å; H177-A250 PolarHBondContact CE1-O 3.44Å; H177-A250 VanDerWaalsContact CE1-O 3.31Å; H177-A250 WeakPolarHBondContact ND1-CB 3.31Å; I180-A250 HydrophobicContact CD1-CB 3.69Å; A250-I256 WeakPolarHBondContact O-CA 3.17Å; A250-M257 HydrophobicContact CB-CB 4.12Å; A250-M257 PolarHBondContact N-O 2.97Å; A250-M257 PolarHBondContact O-N 2.96Å
251	S	93.8	Very high	95.1	Very high	1 Å²	1	18 Å²	18	1%	0.007	9%	0.09	C	C	.	.			trans	-114.7	-5.6	-177.5	59.4	0	0	0	0	114.2	H78 G79 V80 E253	H78-S251 PolarHBondContact O-OG 3.35Å; G79-S251 CarbonylContact C-O 3.36Å; G79-S251 WeakPolarHBondContact CA-O 3.46Å; V80-S251 PolarHBondContact N-O 3.29Å; S251-E253 VanDerWaalsContact C-N 3.31Å; S251-E253 PolarHBondContact O-N 3.36Å
252	L	94.3	Very high	95	Very high	1 Å²	1	14.7 Å²	14.7	1%	0.005	8%	0.075	C	C	.	.	S	Bend	trans	-66	-32.7	-172.3	-60.9	-177.3	0	0	0	113.2	I67 I72 Y77 V174 I176	I67-L252 WeakPolarHBondContact CG2-O 3.44Å; I72-L252 HydrophobicContact CG1-CB 4.42Å; I72-L252 HydrophobicContact CG2-CD1 4.2Å; Y77-L252 HydrophobicContact CD1-CD2 4.09Å; Y77-L252 HydrophobicContact CE1-CB 4.28Å; Y77-L252 HydrophobicContact CE1-CD2 4.29Å; Y77-L252 WeakPolarHBondContact CE1-O 3.41Å; Y77-L252 PolarHBondContact OH-O 3.44Å; V174-L252 HydrophobicContact CG1-CD1 4.42Å; V174-L252 HydrophobicContact CG1-CD2 3.69Å; V174-L252 HydrophobicContact CG1-CG 3.88Å; I176-L252 HydrophobicContact CG1-CD1 4.09Å
253	E	91.5	Very high	94.9	Very high	26 Å²	26	15.3 Å²	15.3	12%	0.121	8%	0.079	C	C	.	.	S	Bend	trans	-141.8	175.1	177.2	60.6	173	127.9	0	0	109.7	E64 I67 R68 I72 H177 S251	E64-E253 VanDerWaalsContact OE1-CA 3.25Å; E64-E253 WeakPolarHBondContact OE1-CA 3.3Å; E64-E253 VanDerWaalsContact OE1-CB 3.24Å; E64-E253 WeakPolarHBondContact OE1-CB 3.27Å; I67-E253 HydrophobicContact CG2-CB 4.27Å; R68-E253 WeakPolarHBondContact CG-OE2 3.34Å; R68-E253 IonicContact CZ-OE2 2.79Å; R68-E253 IonicContact NE-OE2 2.75Å; R68-E253 PolarHBondContact NE-OE2 3.09Å; R68-E253 IonicContact NH2-OE2 2.69Å; R68-E253 PolarHBondContact NH2-OE2 2.88Å; I72-E253 HydrophobicContact CD1-CG 4.27Å; I72-E253 WeakPolarHBondContact CD1-OE1 3.33Å; H177-E253 HydrophobicContact CB-CG 4.03Å; H177-E253 WeakPolarHBondContact CB-OE1 3.4Å; H177-E253 PolarHBondContact CE1-O 3.08Å; H177-E253 VanDerWaalsContact CG-CG 3.43Å; H177-E253 IonicContact CG-OE1 2.71Å; H177-E253 WeakPolarHBondContact ND1-CG 3.42Å; H177-E253 PolarHBondContact NE2-O 2.97Å; S251-E253 VanDerWaalsContact C-N 3.31Å; S251-E253 PolarHBondContact O-N 3.36Å
254	E	89.1	Confident	94.6	Very high	41 Å²	41	18.6 Å²	18.6	19%	0.192	10%	0.1	C	C	.	.	S	Bend	trans	-96.9	145.5	178.3	-68.6	-165.4	178.9	0	0	113.5	E64 R68 R100 K107	E64-E254 PolarHBondContact OE1-N 3.17Å; R68-E254 PolarHBondContact NH2-O 3.35Å; R100-E254 IonicContact NH1-OE1 2.65Å; R100-E254 PolarHBondContact NH1-OE1 3.34Å; K107-E254 WeakPolarHBondContact CD-OE1 3.23Å; K107-E254 VanDerWaalsContact CE-OE1 3.23Å; K107-E254 WeakPolarHBondContact CE-OE1 3.31Å; K107-E254 IonicContact NZ-OE1 3.88Å; K107-E254 PolarHBondContact NZ-OE1 3.32Å; K107-E254 IonicContact NZ-OE2 3.32Å; K107-E254 PolarHBondContact NZ-OE2 3.04Å
255	P	90.8	Very high	94.4	Very high	43 Å²	43	20.4 Å²	20.4	28%	0.279	12%	0.118	S	C	.	.	S	Bend	cis	-79.8	150.6	1.8	33.2	-35.4	0	0	0	112.7	H177 M257	H177-P255 PolarHBondContact NE2-O 3Å; P255-M257 HydrophobicContact CG-CE 3.81Å; P255-M257 WeakPolarHBondContact O-CG 3.4Å
256	I	92.2	Very high	94.3	Very high	3 Å²	3	21 Å²	21	2%	0.015	13%	0.126	C	C	.	.	P	Polyproline II helix	trans	-68	134.9	175	-46.6	173.7	0	0	0	109.4	V80 R215 I216 I225 F228 A250	V80-I256 HydrophobicContact CB-CD1 3.94Å; V80-I256 HydrophobicContact CG1-CD1 3.81Å; V80-I256 HydrophobicContact CG2-CD1 3.95Å; V80-I256 HydrophobicContact CG2-CG1 4.37Å; R215-I256 WeakPolarHBondContact CA-O 3.47Å; I216-I256 HydrophobicContact CG2-CB 3.9Å; I216-I256 HydrophobicContact CG2-CG1 4.26Å; I216-I256 PolarHBondContact N-O 2.67Å; I225-I256 HydrophobicContact CG2-CD1 3.68Å; F228-I256 HydrophobicContact CD1-CB 4.5Å; F228-I256 HydrophobicContact CD1-CG2 4.03Å; F228-I256 HydrophobicContact CE1-CB 4.23Å; F228-I256 HydrophobicContact CE1-CG2 3.79Å; A250-I256 WeakPolarHBondContact O-CA 3.17Å
257	M	95.2	Very high	94.3	Very high	15 Å²	15	22.5 Å²	22.5	7%	0.074	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	149.5	-177.9	-51.9	-175	-167.5	0	0	112.8	I180 L182 V213 K214 R215 F249 A250 P255	I180-M257 HydrophobicContact CG2-SD 4.36Å; L182-M257 HydrophobicContact CD1-CE 4.07Å; L182-M257 HydrophobicContact CD1-SD 4.46Å; L182-M257 HydrophobicContact CD2-SD 4.32Å; V213-M257 HydrophobicContact CG1-CB 3.75Å; V213-M257 HydrophobicContact CG1-CG 4.12Å; V213-M257 HydrophobicContact CG1-SD 3.78Å; K214-M257 CarbonylContact O-C 3.56Å; K214-M257 VanDerWaalsContact O-CA 3.29Å; K214-M257 WeakPolarHBondContact O-CA 3.25Å; R215-M257 HydrophobicContact CB-CG 4.14Å; F249-M257 CarbonylContact C-O 3.6Å; F249-M257 WeakPolarHBondContact CA-O 3.19Å; F249-M257 WeakPolarHBondContact CB-O 3.46Å; A250-M257 HydrophobicContact CB-CB 4.12Å; A250-M257 PolarHBondContact N-O 2.97Å; A250-M257 PolarHBondContact O-N 2.96Å; P255-M257 HydrophobicContact CG-CE 3.81Å; P255-M257 WeakPolarHBondContact O-CG 3.4Å
258	V	95.1	Very high	94.4	Very high	0 Å²	0	21 Å²	21	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	127.9	164.8	167.4	0	0	0	0	108.3	V213 K214 F228 A232 M235 F246 F249 M260	V213-V258 CarbonylContact C-O 3.59Å; V213-V258 WeakPolarHBondContact CA-O 3.48Å; K214-V258 HydrophobicContact CB-CB 4.31Å; K214-V258 PolarHBondContact N-O 2.86Å; K214-V258 PolarHBondContact O-N 2.83Å; F228-V258 HydrophobicContact CD1-CG2 4.41Å; F228-V258 HydrophobicContact CE1-CG2 3.72Å; F228-V258 HydrophobicContact CZ-CB 4.24Å; F228-V258 HydrophobicContact CZ-CG2 3.87Å; A232-V258 HydrophobicContact CB-CG2 3.74Å; M235-V258 HydrophobicContact SD-CG1 4.23Å; F246-V258 HydrophobicContact CD2-CG1 4.2Å; F246-V258 HydrophobicContact CE2-CG1 3.97Å; F249-V258 HydrophobicContact CB-CG2 4.19Å; V258-M260 HydrophobicContact CB-CE 4.48Å; V258-M260 HydrophobicContact CG1-CE 3.61Å
259	V	96.7	Very high	94.6	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	122.7	-177.4	-173.2	0	0	0	0	109.2	L175 I180 Y199 V211 V213 Y247 G248	L175-V259 HydrophobicContact CD1-CB 3.84Å; L175-V259 HydrophobicContact CD1-CG1 4.39Å; L175-V259 HydrophobicContact CD1-CG2 3.69Å; I180-V259 HydrophobicContact CD1-CG2 3.52Å; I180-V259 HydrophobicContact CG1-CG2 4.06Å; Y199-V259 HydrophobicContact CG-CG1 4.49Å; V211-V259 HydrophobicContact CB-CG1 3.8Å; V211-V259 HydrophobicContact CG1-CG1 3.76Å; V211-V259 HydrophobicContact CG2-CG1 3.96Å; V213-V259 HydrophobicContact CG1-CG2 4.39Å; V213-V259 HydrophobicContact CG2-CG2 4.5Å; Y247-V259 HydrophobicContact CD2-CG1 4.3Å; Y247-V259 PolarHBondContact N-O 3.27Å; G248-V259 PolarHBondContact N-O 2.71Å; G248-V259 PolarHBondContact O-N 2.71Å
260	M	96.6	Very high	94.6	Very high	14 Å²	14	27.8 Å²	27.8	7%	0.069	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	171.3	-173.4	68.2	-176.2	66.8	0	0	111.5	V211 A212 K214 M235 V244 A245 V258 L262	V211-M260 WeakPolarHBondContact CA-O 3.34Å; V211-M260 WeakPolarHBondContact CB-O 3.42Å; A212-M260 HydrophobicContact CB-CG 3.82Å; A212-M260 PolarHBondContact N-O 3.36Å; A212-M260 WeakPolarHBondContact O-CG 3.44Å; A212-M260 PolarHBondContact O-N 2.73Å; K214-M260 HydrophobicContact CB-CE 4.24Å; M235-M260 HydrophobicContact CE-CB 4.21Å; M235-M260 HydrophobicContact CE-CE 4.12Å; M235-M260 HydrophobicContact CE-SD 4.5Å; M235-M260 HydrophobicContact SD-CE 4.2Å; V244-M260 HydrophobicContact CG1-CB 4.02Å; V244-M260 HydrophobicContact CG1-CG 4.07Å; V244-M260 HydrophobicContact CG1-SD 3.97Å; A245-M260 CarbonylContact O-C 3.59Å; A245-M260 VanDerWaalsContact O-CA 3.31Å; A245-M260 WeakPolarHBondContact O-CA 3.31Å; A245-M260 WeakPolarHBondContact O-CB 3.25Å; V258-M260 HydrophobicContact CB-CE 4.48Å; V258-M260 HydrophobicContact CG1-CE 3.61Å; M260-L262 PolarHBondContact O-N 3.06Å
261	E	96.2	Very high	94.8	Very high	34 Å²	34	29.7 Å²	29.7	16%	0.159	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.7	132.8	175.2	-175.7	-171.5	157.6	0	0	112.5	V244 A245 Y247 V263 K321	V244-E261 HydrophobicContact CG1-CB 4.15Å; A245-E261 HydrophobicContact CB-CB 4.11Å; A245-E261 PolarHBondContact N-OE2 3.2Å; A245-E261 PolarHBondContact O-N 2.82Å; Y247-E261 HydrophobicContact CE2-CB 4.37Å; E261-V263 HydrophobicContact CG-CG2 4.21Å; E261-V263 PolarHBondContact O-N 2.78Å; E261-K321 IonicContact OE1-NZ 3.94Å; E261-K321 PolarHBondContact OE1-NZ 3.42Å; E261-K321 IonicContact OE2-NZ 2.62Å; E261-K321 PolarHBondContact OE2-NZ 2.98Å
262	L	97.1	Very high	94.9	Very high	26 Å²	26	29.9 Å²	29.9	14%	0.136	17%	0.165	C	C	.	.			trans	-80.9	95.6	171.6	-176.6	63.8	0	0	0	111	L186 K196 E210 A212 M260 T264	L186-L262 HydrophobicContact CD1-CD1 3.66Å; K196-L262 HydrophobicContact CD-CD2 3.79Å; K196-L262 HydrophobicContact CG-CD2 3.94Å; E210-L262 HydrophobicContact CB-CD2 3.99Å; A212-L262 HydrophobicContact CB-CD1 4.12Å; M260-L262 PolarHBondContact O-N 3.06Å; L262-T264 HydrophobicContact CD2-CG2 4.11Å; L262-T264 HydrophobicContact CG-CG2 3.92Å; L262-T264 PolarHBondContact O-N 3.37Å
263	V	96.4	Very high	95	Very high	16 Å²	16	34.3 Å²	34.3	10%	0.097	19%	0.186	C	C	.	.			trans	-85	111.5	172.7	-176	0	0	0	0	109.8	V244 E261 L313 V314 T315 K321	V244-V263 HydrophobicContact CG2-CG2 4.11Å; E261-V263 HydrophobicContact CG-CG2 4.21Å; E261-V263 PolarHBondContact O-N 2.78Å; V263-L313 HydrophobicContact CB-CB 3.88Å; V263-L313 HydrophobicContact CB-CD1 3.86Å; V263-L313 HydrophobicContact CG1-CB 3.56Å; V263-L313 HydrophobicContact CG1-CD1 4.49Å; V263-L313 HydrophobicContact CG2-CB 4.43Å; V263-L313 HydrophobicContact CG2-CD1 4.26Å; V263-V314 VanDerWaalsContact CG1-C 3.48Å; V263-V314 WeakPolarHBondContact CG1-O 3.47Å; V263-T315 HydrophobicContact CG1-CG2 4.11Å; V263-K321 HydrophobicContact CG2-CD 4.13Å
264	T	92.4	Very high	95.3	Very high	73 Å²	73	37.6 Å²	37.6	45%	0.448	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-12.9	-163.2	49.9	0	0	0	0	116.4	L262 G266 Q316	L262-T264 HydrophobicContact CD2-CG2 4.11Å; L262-T264 HydrophobicContact CG-CG2 3.92Å; L262-T264 PolarHBondContact O-N 3.37Å; T264-G266 PolarHBondContact O-N 3.19Å; T264-Q316 VanDerWaalsContact OG1-CG 3.3Å; T264-Q316 WeakPolarHBondContact OG1-CG 3.24Å; T264-Q316 PolarHBondContact OG1-NE2 3.31Å
265	G	93.3	Very high	95.6	Very high	39 Å²	39	38 Å²	38	40%	0.402	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77	-4.9	179.2	0	0	0	0	0	114.8	V314	G265-V314 WeakPolarHBondContact CA-O 3.4Å; G265-V314 PolarHBondContact N-O 2.65Å
266	G	93.6	Very high	95.6	Very high	30 Å²	30	44 Å²	44	31%	0.309	24%	0.237	S	C	.	.			trans	80.6	-167.8	-176.7	0	0	0	0	0	113	T264 L313 V314	T264-G266 PolarHBondContact O-N 3.19Å; G266-L313 CarbonylContact O-C 3.58Å; G266-L313 WeakPolarHBondContact O-CA 3.27Å; G266-V314 PolarHBondContact O-N 3.26Å
267	D	95.8	Very high	95.5	Very high	46 Å²	46	49.4 Å²	49.4	25%	0.246	27%	0.267	C	S	.	.	B	Isolated β-bridge	trans	-76.3	145.8	177.7	65.8	102.1	0	0	0	112.3	R269 K270 Y271 C312 L313	D267-R269 VanDerWaalsContact C-N 3.32Å; D267-R269 PolarHBondContact O-N 2.55Å; D267-R269 WeakPolarHBondContact OD1-CB 3.23Å; D267-K270 PolarHBondContact O-N 3.24Å; D267-K270 VanDerWaalsContact OD1-CB 3.23Å; D267-K270 WeakPolarHBondContact OD1-CB 3.31Å; D267-K270 PolarHBondContact OD1-N 3.39Å; D267-K270 VanDerWaalsContact OD2-CB 3.31Å; D267-K270 WeakPolarHBondContact OD2-CB 3.31Å; D267-Y271 PolarHBondContact O-N 3.45Å; D267-C312 CarbonylContact C-O 3.58Å; D267-C312 WeakPolarHBondContact CA-O 3.43Å; D267-L313 HydrophobicContact CB-CD2 4.26Å
268	L	98.1	Very high	95.5	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-67.2	-33.2	-175.5	176.5	58.5	0	0	0	111.7	Y271 L272 F286 A309 C312 V314 A320 F369 L373	L268-Y271 HydrophobicContact CD1-CD1 4.28Å; L268-Y271 PolarHBondContact O-N 3.28Å; L268-L272 HydrophobicContact CD1-CD1 3.99Å; L268-L272 HydrophobicContact CD1-CD2 4.44Å; L268-L272 HydrophobicContact CD1-CG 3.93Å; L268-L272 HydrophobicContact CG-CD1 3.9Å; L268-L272 HydrophobicContact CG-CG 4.34Å; L268-L272 WeakPolarHBondContact O-CB 3.41Å; L268-L272 WeakPolarHBondContact O-CD1 3.42Å; L268-L272 WeakPolarHBondContact O-CG 3.3Å; L268-L272 PolarHBondContact O-N 3.46Å; L268-F286 HydrophobicContact CD1-CD1 4.24Å; L268-F286 HydrophobicContact CD1-CD2 3.65Å; L268-F286 HydrophobicContact CD1-CE1 4.24Å; L268-F286 HydrophobicContact CD1-CE2 3.67Å; L268-F286 HydrophobicContact CD1-CG 3.94Å; L268-F286 HydrophobicContact CD1-CZ 3.96Å; L268-F286 HydrophobicContact CD2-CB 4.22Å; L268-F286 HydrophobicContact CD2-CG 4.36Å; L268-A309 PolarHBondContact N-O 2.91Å; L268-C312 HydrophobicContact CB-CB 3.9Å; L268-C312 WeakPolarHBondContact CB-O 3.43Å; L268-C312 HydrophobicContact CD2-CB 3.92Å; L268-C312 PolarHBondContact N-O 3.45Å; L268-V314 HydrophobicContact CB-CG2 3.86Å; L268-V314 HydrophobicContact CD1-CG2 3.68Å; L268-V314 HydrophobicContact CG-CG2 4.34Å; L268-A320 HydrophobicContact CD2-CB 4.32Å; L268-F369 HydrophobicContact CD2-CE2 3.95Å; L268-F369 HydrophobicContact CD2-CZ 4.01Å; L268-L373 HydrophobicContact CD2-CD2 4.04Å; L268-L373 HydrophobicContact CG-CD2 4.48Å
269	R	97.9	Very high	95.5	Very high	54 Å²	54	53.6 Å²	53.6	20%	0.204	29%	0.294	C	S	.	.	H	α-helix	trans	-55.4	-56	171.8	169.3	171.1	-170.6	157.1	11.2	111.1	D267 Y271 L272 Q273 A309 R310 C377 D380	D267-R269 VanDerWaalsContact C-N 3.32Å; D267-R269 PolarHBondContact O-N 2.55Å; D267-R269 WeakPolarHBondContact OD1-CB 3.23Å; R269-Y271 VanDerWaalsContact C-N 3.34Å; R269-Y271 PolarHBondContact O-N 2.83Å; R269-L272 PolarHBondContact O-N 3.44Å; R269-Q273 WeakPolarHBondContact O-CG 3.3Å; R269-Q273 PolarHBondContact O-N 3.42Å; R269-A309 HydrophobicContact CB-CB 4.05Å; R269-A309 PolarHBondContact N-O 2.9Å; R269-A309 VanDerWaalsContact N-O 3.07Å; R269-R310 HydrophobicContact CB-CB 4.43Å; R269-C377 HydrophobicContact CB-CB 4.47Å; R269-C377 HydrophobicContact CG-CB 3.86Å; R269-D380 IonicContact CZ-OD1 3.26Å; R269-D380 IonicContact NH1-OD1 2.68Å; R269-D380 PolarHBondContact NH1-OD1 2.95Å; R269-D380 IonicContact NH2-OD1 3.5Å; R269-D380 PolarHBondContact NH2-OD1 2.94Å
270	K	96.6	Very high	95.4	Very high	121 Å²	121	58.4 Å²	58.4	53%	0.526	31%	0.314	S	S	.	.	H	α-helix	trans	-61.8	-42.6	179.1	-175.3	178.2	-178.7	179.7	0	111.4	D267 L272 Q273 T274	D267-K270 PolarHBondContact O-N 3.24Å; D267-K270 VanDerWaalsContact OD1-CB 3.23Å; D267-K270 WeakPolarHBondContact OD1-CB 3.31Å; D267-K270 PolarHBondContact OD1-N 3.39Å; D267-K270 VanDerWaalsContact OD2-CB 3.31Å; D267-K270 WeakPolarHBondContact OD2-CB 3.31Å; K270-L272 VanDerWaalsContact C-N 3.31Å; K270-L272 PolarHBondContact O-N 3.47Å; K270-Q273 PolarHBondContact O-N 2.84Å; K270-T274 HydrophobicContact CG-CG2 4.18Å; K270-T274 PolarHBondContact O-N 2.9Å; K270-T274 PolarHBondContact O-OG1 2.93Å; K270-T274 VanDerWaalsContact O-OG1 3.04Å
271	Y	97.5	Very high	95.4	Very high	41 Å²	41	60.5 Å²	60.5	16%	0.161	33%	0.326	C	S	.	.	H	α-helix	trans	-55.5	-45.7	176	179.8	-88.1	0	0	0	112.1	D267 L268 R269 T275 I278 F286 V314 L318	D267-Y271 PolarHBondContact O-N 3.45Å; L268-Y271 HydrophobicContact CD1-CD1 4.28Å; L268-Y271 PolarHBondContact O-N 3.28Å; R269-Y271 VanDerWaalsContact C-N 3.34Å; R269-Y271 PolarHBondContact O-N 2.83Å; Y271-T275 HydrophobicContact CE2-CG2 4.49Å; Y271-T275 WeakPolarHBondContact O-CB 3.47Å; Y271-T275 PolarHBondContact O-N 2.78Å; Y271-T275 PolarHBondContact O-OG1 2.79Å; Y271-I278 HydrophobicContact CD1-CD1 4.21Å; Y271-I278 HydrophobicContact CE1-CD1 3.93Å; Y271-I278 HydrophobicContact CE1-CG1 4.39Å; Y271-F286 HydrophobicContact CD1-CE2 4.04Å; Y271-F286 HydrophobicContact CD1-CZ 4.06Å; Y271-F286 AromaticContact CE1-CE2 3.75Å; Y271-F286 HydrophobicContact CE1-CE2 3.75Å; Y271-F286 AromaticContact CE1-CZ 3.72Å; Y271-F286 HydrophobicContact CE1-CZ 3.72Å; Y271-V314 HydrophobicContact CD1-CG2 4.46Å; Y271-V314 HydrophobicContact CD2-CG1 4.26Å; Y271-V314 HydrophobicContact CD2-CG2 4.48Å; Y271-V314 HydrophobicContact CE2-CG1 4.39Å; Y271-V314 HydrophobicContact CG-CG2 4.06Å; Y271-L318 HydrophobicContact CE2-CD2 4.06Å
272	L	97.5	Very high	95.5	Very high	5 Å²	5	60 Å²	60	3%	0.026	32%	0.323	C	S	.	.	H	α-helix	trans	-65.7	-38.1	178.3	-70	163	0	0	0	112.6	L268 R269 K270 I278 I283 L373 R376 C377	L268-L272 HydrophobicContact CD1-CD1 3.99Å; L268-L272 HydrophobicContact CD1-CD2 4.44Å; L268-L272 HydrophobicContact CD1-CG 3.93Å; L268-L272 HydrophobicContact CG-CD1 3.9Å; L268-L272 HydrophobicContact CG-CG 4.34Å; L268-L272 WeakPolarHBondContact O-CB 3.41Å; L268-L272 WeakPolarHBondContact O-CD1 3.42Å; L268-L272 WeakPolarHBondContact O-CG 3.3Å; L268-L272 PolarHBondContact O-N 3.46Å; R269-L272 PolarHBondContact O-N 3.44Å; K270-L272 VanDerWaalsContact C-N 3.31Å; K270-L272 PolarHBondContact O-N 3.47Å; L272-I278 HydrophobicContact CD2-CD1 3.86Å; L272-I283 HydrophobicContact CD2-CD1 3.44Å; L272-I283 VanDerWaalsContact CD2-CD1 3.44Å; L272-L373 HydrophobicContact CD1-CD2 3.6Å; L272-R376 CarbonylContact C-O 3.5Å; L272-C377 HydrophobicContact CB-CB 4.48Å
273	Q	96.6	Very high	95.5	Very high	93 Å²	93	58.7 Å²	58.7	44%	0.435	32%	0.317	S	S	.	.	H	α-helix	trans	-72.9	-36.8	178.7	-70.2	176.6	-24.2	0	0	113.4	R269 K270 C377	R269-Q273 WeakPolarHBondContact O-CG 3.3Å; R269-Q273 PolarHBondContact O-N 3.42Å; K270-Q273 PolarHBondContact O-N 2.84Å; Q273-C377 HydrophobicContact CG-CB 3.92Å; Q273-C377 WeakPolarHBondContact CG-O 3.26Å; Q273-C377 PolarHBondContact NE2-O 3.32Å
274	T	96.3	Very high	95.6	Very high	95 Å²	95	58 Å²	58	58%	0.583	31%	0.313	S	S	*	.	H	α-helix	trans	-97.5	-19.5	-173.2	63.4	0	0	0	0	114.5	K270	K270-T274 HydrophobicContact CG-CG2 4.18Å; K270-T274 PolarHBondContact O-N 2.9Å; K270-T274 PolarHBondContact O-OG1 2.93Å; K270-T274 VanDerWaalsContact O-OG1 3.04Å
275	T	95.6	Very high	95.9	Very high	50 Å²	50	57.9 Å²	57.9	31%	0.307	30%	0.304	S	S	.	.			trans	-92.8	114.1	-177.7	-48.4	0	0	0	0	110.1	Y271 I278	Y271-T275 HydrophobicContact CE2-CG2 4.49Å; Y271-T275 WeakPolarHBondContact O-CB 3.47Å; Y271-T275 PolarHBondContact O-N 2.78Å; Y271-T275 PolarHBondContact O-OG1 2.79Å; T275-I278 HydrophobicContact CG2-CD1 4.44Å; T275-I278 HydrophobicContact CG2-CG1 3.88Å; T275-I278 WeakPolarHBondContact O-CG1 3.17Å
276	Q	90.6	Very high	96.1	Very high	168 Å²	168	56 Å²	56	79%	0.785	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	152.7	176.7	-61.6	-177.7	-0.4	0	0	111.5	I278	Q276-I278 VanDerWaalsContact C-N 3.33Å; Q276-I278 PolarHBondContact O-N 3.16Å
277	N	90.9	Very high	96.4	Very high	118 Å²	118	54.6 Å²	54.6	63%	0.631	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.5	32	171.9	-55.3	-76	0	0	0	115.7	P279	N277-P279 VanDerWaalsContact O-CD 3.31Å; N277-P279 WeakPolarHBondContact O-CD 3.15Å
278	I	94.7	Very high	96.5	Very high	16 Å²	16	53.4 Å²	53.4	8%	0.082	26%	0.263	C	S	.	.			trans	-59.5	120.2	176.5	-53.4	170.5	0	0	0	109.7	Y271 L272 T275 Q276 Q282 I283	Y271-I278 HydrophobicContact CD1-CD1 4.21Å; Y271-I278 HydrophobicContact CE1-CD1 3.93Å; Y271-I278 HydrophobicContact CE1-CG1 4.39Å; L272-I278 HydrophobicContact CD2-CD1 3.86Å; T275-I278 HydrophobicContact CG2-CD1 4.44Å; T275-I278 HydrophobicContact CG2-CG1 3.88Å; T275-I278 WeakPolarHBondContact O-CG1 3.17Å; Q276-I278 VanDerWaalsContact C-N 3.33Å; Q276-I278 PolarHBondContact O-N 3.16Å; I278-Q282 HydrophobicContact CG2-CB 3.97Å; I278-Q282 HydrophobicContact CG2-CG 3.93Å; I278-I283 HydrophobicContact CB-CD1 4.27Å; I278-I283 HydrophobicContact CG2-CD1 3.64Å; I278-I283 HydrophobicContact CG2-CG1 4.11Å
279	P	95.2	Very high	96.6	Very high	86 Å²	86	53.7 Å²	53.7	56%	0.558	27%	0.265	S	S	*	.			trans	-62.2	145.2	-178.8	-24.2	34.7	0	0	0	112.7	N277 L281 Q282 I283	N277-P279 VanDerWaalsContact O-CD 3.31Å; N277-P279 WeakPolarHBondContact O-CD 3.15Å; P279-L281 PolarHBondContact O-N 3.09Å; P279-Q282 WeakPolarHBondContact O-CB 3.46Å; P279-Q282 PolarHBondContact O-N 2.66Å; P279-I283 PolarHBondContact O-N 2.94Å
280	K	95.3	Very high	96.6	Very high	101 Å²	101	51.1 Å²	51.1	44%	0.439	26%	0.255	S	S	.	.	H	α-helix	trans	-51.6	-42.6	177.7	-59.2	-166.8	-169.4	-161.1	0	112.8	Q282 I283 L284 D407 P408	K280-Q282 VanDerWaalsContact C-N 3.28Å; K280-Q282 PolarHBondContact O-N 2.87Å; K280-I283 WeakPolarHBondContact O-CB 3.34Å; K280-I283 PolarHBondContact O-N 2.98Å; K280-I283 VanDerWaalsContact O-N 3.11Å; K280-L284 PolarHBondContact O-N 2.93Å; K280-D407 WeakPolarHBondContact CD-OD2 3.3Å; K280-D407 VanDerWaalsContact CE-OD1 3.24Å; K280-D407 WeakPolarHBondContact CE-OD1 3.49Å; K280-D407 WeakPolarHBondContact CE-OD2 3.29Å; K280-D407 WeakPolarHBondContact CG-OD2 3.46Å; K280-D407 IonicContact NZ-OD1 2.66Å; K280-D407 PolarHBondContact NZ-OD1 3.27Å; K280-D407 IonicContact NZ-OD2 3.19Å; K280-D407 PolarHBondContact NZ-OD2 2.85Å; K280-P408 HydrophobicContact CB-CG 3.96Å; K280-P408 HydrophobicContact CG-CG 4.48Å
281	L	96.5	Very high	96.7	Very high	59 Å²	59	45.3 Å²	45.3	31%	0.309	23%	0.23	S	C	.	.	H	α-helix	trans	-59.6	-35.9	177.7	-170.9	67.7	0	0	0	112.7	P279 L284 W285 Y440 A443 L444	P279-L281 PolarHBondContact O-N 3.09Å; L281-L284 PolarHBondContact O-N 3.23Å; L281-W285 WeakPolarHBondContact O-CB 3.44Å; L281-W285 PolarHBondContact O-N 3.3Å; L281-Y440 HydrophobicContact CD1-CD2 3.86Å; L281-Y440 HydrophobicContact CD1-CE2 3.4Å; L281-Y440 HydrophobicContact CG-CE2 3.78Å; L281-A443 HydrophobicContact CD1-CB 4.19Å; L281-L444 HydrophobicContact CD1-CB 4.12Å; L281-L444 HydrophobicContact CD1-CD1 4.34Å; L281-L444 HydrophobicContact CD2-CD1 3.77Å
282	Q	97.6	Very high	96.8	Very high	22 Å²	22	44.3 Å²	44.3	10%	0.103	23%	0.229	C	C	.	.	H	α-helix	trans	-70.1	-34.6	176.5	-176.7	60.3	53.2	0	0	111.8	I278 P279 K280 W285 F286 L318	I278-Q282 HydrophobicContact CG2-CB 3.97Å; I278-Q282 HydrophobicContact CG2-CG 3.93Å; P279-Q282 WeakPolarHBondContact O-CB 3.46Å; P279-Q282 PolarHBondContact O-N 2.66Å; K280-Q282 VanDerWaalsContact C-N 3.28Å; K280-Q282 PolarHBondContact O-N 2.87Å; Q282-W285 WeakPolarHBondContact O-CB 3.4Å; Q282-W285 PolarHBondContact O-N 3.31Å; Q282-F286 HydrophobicContact CG-CD2 4.34Å; Q282-F286 HydrophobicContact CG-CE2 3.78Å; Q282-F286 HydrophobicContact CG-CZ 4.01Å; Q282-F286 VanDerWaalsContact O-CD2 3.26Å; Q282-F286 WeakPolarHBondContact O-CD2 3.45Å; Q282-F286 WeakPolarHBondContact O-CG 3.39Å; Q282-F286 PolarHBondContact O-N 3.44Å; Q282-L318 PolarHBondContact NE2-O 3.08Å
283	I	98.1	Very high	96.8	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-65.9	-44.4	173.7	-56.2	-64.8	0	0	0	110.7	L272 I278 P279 K280 W285 F286 A287 L373 P408 L411	L272-I283 HydrophobicContact CD2-CD1 3.44Å; L272-I283 VanDerWaalsContact CD2-CD1 3.44Å; I278-I283 HydrophobicContact CB-CD1 4.27Å; I278-I283 HydrophobicContact CG2-CD1 3.64Å; I278-I283 HydrophobicContact CG2-CG1 4.11Å; P279-I283 PolarHBondContact O-N 2.94Å; K280-I283 WeakPolarHBondContact O-CB 3.34Å; K280-I283 PolarHBondContact O-N 2.98Å; K280-I283 VanDerWaalsContact O-N 3.11Å; I283-W285 VanDerWaalsContact C-N 3.31Å; I283-W285 PolarHBondContact O-N 3.39Å; I283-F286 PolarHBondContact O-N 3.5Å; I283-A287 PolarHBondContact O-N 2.77Å; I283-L373 HydrophobicContact CG2-CB 3.89Å; I283-L373 HydrophobicContact CG2-CD1 4.4Å; I283-P408 HydrophobicContact CB-CG 4.19Å; I283-P408 HydrophobicContact CG2-CG 4.26Å; I283-L411 HydrophobicContact CG2-CD1 4.4Å
284	L	98.1	Very high	96.9	Very high	2 Å²	2	39.7 Å²	39.7	1%	0.01	21%	0.207	C	C	.	.	H	α-helix	trans	-63.4	-35.9	173.8	-63.3	178.2	0	0	0	112.1	K280 L281 A287 M288 P408 L411 I436 I439 Y440 A443	K280-L284 PolarHBondContact O-N 2.93Å; L281-L284 PolarHBondContact O-N 3.23Å; L284-A287 PolarHBondContact O-N 2.83Å; L284-M288 WeakPolarHBondContact O-CB 3.06Å; L284-M288 PolarHBondContact O-N 3.32Å; L284-P408 HydrophobicContact CD2-CB 4.06Å; L284-P408 HydrophobicContact CD2-CG 3.99Å; L284-P408 HydrophobicContact CG-CB 4.37Å; L284-P408 HydrophobicContact CG-CG 4.03Å; L284-L411 HydrophobicContact CD2-CD1 4.22Å; L284-L411 HydrophobicContact CD2-CD2 3.62Å; L284-L411 HydrophobicContact CD2-CG 3.77Å; L284-I436 HydrophobicContact CD2-CD1 4.3Å; L284-I439 HydrophobicContact CD1-CG2 4.14Å; L284-I439 HydrophobicContact CD2-CG2 3.87Å; L284-Y440 HydrophobicContact CB-CD2 3.84Å; L284-A443 HydrophobicContact CD1-CB 3.43Å; L284-A443 VanDerWaalsContact CD1-CB 3.43Å
285	W	98	Very high	97	Very high	70 Å²	70	40.4 Å²	40.4	27%	0.265	20%	0.199	S	C	.	.	H	α-helix	trans	-62.5	-47.3	174.7	-173.7	-110.4	0	0	0	111.9	L281 Q282 I283 A287 M288 N289 Y440	L281-W285 WeakPolarHBondContact O-CB 3.44Å; L281-W285 PolarHBondContact O-N 3.3Å; Q282-W285 WeakPolarHBondContact O-CB 3.4Å; Q282-W285 PolarHBondContact O-N 3.31Å; I283-W285 VanDerWaalsContact C-N 3.31Å; I283-W285 PolarHBondContact O-N 3.39Å; W285-A287 PolarHBondContact O-N 2.74Å; W285-M288 HydrophobicContact CD2-CE 4.34Å; W285-M288 HydrophobicContact CE3-CE 3.27Å; W285-M288 HydrophobicContact CH2-CE 4.25Å; W285-M288 HydrophobicContact CZ3-CE 3.23Å; W285-M288 PolarHBondContact O-N 2.88Å; W285-N289 WeakPolarHBondContact O-CB 3.17Å; W285-N289 VanDerWaalsContact O-CG 3.24Å; W285-N289 PolarHBondContact O-N 3.19Å; W285-N289 PolarHBondContact O-ND2 3.36Å; W285-Y440 HydrophobicContact CB-CD2 4.43Å; W285-Y440 HydrophobicContact CB-CE2 3.9Å; W285-Y440 HydrophobicContact CD2-CE2 4.37Å; W285-Y440 HydrophobicContact CE3-CD1 4.41Å; W285-Y440 HydrophobicContact CE3-CD2 4.26Å; W285-Y440 AromaticContact CE3-CE1 3.79Å; W285-Y440 HydrophobicContact CE3-CE1 3.79Å; W285-Y440 AromaticContact CE3-CE2 3.63Å; W285-Y440 HydrophobicContact CE3-CE2 3.63Å; W285-Y440 AromaticContact CE3-CZ 3.37Å; W285-Y440 AromaticContact CZ3-CE1 3.87Å; W285-Y440 HydrophobicContact CZ3-CE1 3.87Å; W285-Y440 AromaticContact CZ3-CZ 3.85Å
286	F	98.7	Very high	97.2	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-59.7	-43.6	174.2	-66.1	-42.6	0	0	0	112.2	L268 Y271 Q282 I283 N289 V290 V314 L318 A320	L268-F286 HydrophobicContact CD1-CD1 4.24Å; L268-F286 HydrophobicContact CD1-CD2 3.65Å; L268-F286 HydrophobicContact CD1-CE1 4.24Å; L268-F286 HydrophobicContact CD1-CE2 3.67Å; L268-F286 HydrophobicContact CD1-CG 3.94Å; L268-F286 HydrophobicContact CD1-CZ 3.96Å; L268-F286 HydrophobicContact CD2-CB 4.22Å; L268-F286 HydrophobicContact CD2-CG 4.36Å; Y271-F286 HydrophobicContact CD1-CE2 4.04Å; Y271-F286 HydrophobicContact CD1-CZ 4.06Å; Y271-F286 AromaticContact CE1-CE2 3.75Å; Y271-F286 HydrophobicContact CE1-CE2 3.75Å; Y271-F286 AromaticContact CE1-CZ 3.72Å; Y271-F286 HydrophobicContact CE1-CZ 3.72Å; Q282-F286 HydrophobicContact CG-CD2 4.34Å; Q282-F286 HydrophobicContact CG-CE2 3.78Å; Q282-F286 HydrophobicContact CG-CZ 4.01Å; Q282-F286 VanDerWaalsContact O-CD2 3.26Å; Q282-F286 WeakPolarHBondContact O-CD2 3.45Å; Q282-F286 WeakPolarHBondContact O-CG 3.39Å; Q282-F286 PolarHBondContact O-N 3.44Å; I283-F286 PolarHBondContact O-N 3.5Å; F286-N289 WeakPolarHBondContact O-CB 3.32Å; F286-N289 PolarHBondContact O-N 3.25Å; F286-V290 WeakPolarHBondContact O-CG2 3.37Å; F286-V290 PolarHBondContact O-N 3.23Å; F286-V314 HydrophobicContact CE1-CG1 4.06Å; F286-V314 HydrophobicContact CE1-CG2 4.37Å; F286-V314 HydrophobicContact CZ-CG1 4.14Å; F286-V314 HydrophobicContact CZ-CG2 4.42Å; F286-L318 VanDerWaalsContact CE1-O 3.23Å; F286-L318 WeakPolarHBondContact CE1-O 3.18Å; F286-A320 HydrophobicContact CB-CB 4.37Å; F286-A320 HydrophobicContact CD1-CB 3.85Å
287	A	98.7	Very high	97.5	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-57.6	-50.3	174.9	0	0	0	0	0	111.8	I283 L284 W285 N289 V290 A291 Y366 L370 L373 L411 I436	I283-A287 PolarHBondContact O-N 2.77Å; L284-A287 PolarHBondContact O-N 2.83Å; W285-A287 PolarHBondContact O-N 2.74Å; A287-N289 PolarHBondContact O-N 2.75Å; A287-V290 PolarHBondContact O-N 3.19Å; A287-A291 PolarHBondContact O-N 3.36Å; A287-Y366 PolarHBondContact O-OH 3.34Å; A287-Y366 VanDerWaalsContact O-OH 3.05Å; A287-L370 HydrophobicContact CB-CD2 3.66Å; A287-L373 HydrophobicContact CB-CD1 3.74Å; A287-L411 HydrophobicContact CB-CD2 4.35Å; A287-I436 HydrophobicContact CB-CD1 3.86Å; A287-I436 HydrophobicContact CB-CG1 3.86Å
288	M	98.5	Very high	97.9	Very high	20 Å²	20	27.3 Å²	27.3	10%	0.099	13%	0.133	C	C	.	.	H	α-helix	trans	-63.1	-40.1	179	-177.8	173.7	59.3	0	0	112.9	L284 W285 A291 S292 I436 T437 Y440	L284-M288 WeakPolarHBondContact O-CB 3.06Å; L284-M288 PolarHBondContact O-N 3.32Å; W285-M288 HydrophobicContact CD2-CE 4.34Å; W285-M288 HydrophobicContact CE3-CE 3.27Å; W285-M288 HydrophobicContact CH2-CE 4.25Å; W285-M288 HydrophobicContact CZ3-CE 3.23Å; W285-M288 PolarHBondContact O-N 2.88Å; M288-A291 PolarHBondContact O-N 3.22Å; M288-S292 WeakPolarHBondContact O-CB 3.46Å; M288-S292 PolarHBondContact O-N 3.36Å; M288-I436 HydrophobicContact CB-CG1 4.08Å; M288-I436 HydrophobicContact CB-CG2 4.12Å; M288-I436 HydrophobicContact CG-CG2 4.22Å; M288-T437 HydrophobicContact SD-CG2 3.93Å; M288-Y440 HydrophobicContact CE-CD1 3.66Å; M288-Y440 HydrophobicContact CE-CD2 4.38Å; M288-Y440 HydrophobicContact CE-CE1 4.07Å; M288-Y440 HydrophobicContact CE-CG 3.85Å; M288-Y440 HydrophobicContact SD-CD1 4.34Å; M288-Y440 HydrophobicContact SD-CG 4.37Å
289	N	98.8	Very high	98	Very high	6 Å²	6	30.6 Å²	30.6	3%	0.032	16%	0.158	C	C	.	.	H	α-helix	trans	-58.3	-51	176	-82.1	-153.6	0	0	0	110.8	N242 W285 F286 A287 S292 G293 K319 A320	N242-N289 WeakPolarHBondContact CB-O 3.45Å; N242-N289 VanDerWaalsContact ND2-CB 3.29Å; N242-N289 WeakPolarHBondContact ND2-CB 3.48Å; N242-N289 VanDerWaalsContact ND2-CG 3.26Å; N242-N289 PolarHBondContact ND2-OD1 3.37Å; N242-N289 PolarHBondContact OD1-O 2.85Å; W285-N289 WeakPolarHBondContact O-CB 3.17Å; W285-N289 VanDerWaalsContact O-CG 3.24Å; W285-N289 PolarHBondContact O-N 3.19Å; W285-N289 PolarHBondContact O-ND2 3.36Å; F286-N289 WeakPolarHBondContact O-CB 3.32Å; F286-N289 PolarHBondContact O-N 3.25Å; A287-N289 PolarHBondContact O-N 2.75Å; N289-S292 WeakPolarHBondContact O-CB 3.46Å; N289-S292 PolarHBondContact O-N 3.08Å; N289-G293 PolarHBondContact O-N 2.85Å; N289-K319 WeakPolarHBondContact OD1-CA 3.34Å; N289-K319 VanDerWaalsContact OD1-CB 3.22Å; N289-K319 WeakPolarHBondContact OD1-CB 3.44Å; N289-A320 HydrophobicContact CB-CB 3.92Å; N289-A320 PolarHBondContact OD1-N 2.82Å
290	V	98.9	Very high	98	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-66	-40.9	179.5	174.7	0	0	0	0	111.6	F286 A287 S292 G293 M294 L307 A320 I322 Y366 F369	F286-V290 WeakPolarHBondContact O-CG2 3.37Å; F286-V290 PolarHBondContact O-N 3.23Å; A287-V290 PolarHBondContact O-N 3.19Å; V290-S292 VanDerWaalsContact C-N 3.28Å; V290-S292 PolarHBondContact O-N 3.03Å; V290-G293 PolarHBondContact O-N 3Å; V290-M294 HydrophobicContact CG1-CG 4.26Å; V290-M294 WeakPolarHBondContact O-CG 3.3Å; V290-M294 PolarHBondContact O-N 3.34Å; V290-L307 HydrophobicContact CG1-CD1 3.83Å; V290-L307 HydrophobicContact CG1-CD2 4.46Å; V290-A320 HydrophobicContact CG2-CB 3.88Å; V290-I322 HydrophobicContact CG1-CD1 4.26Å; V290-I322 HydrophobicContact CG1-CG1 4.27Å; V290-Y366 HydrophobicContact CB-CE2 4.32Å; V290-Y366 HydrophobicContact CG1-CD2 4.05Å; V290-Y366 HydrophobicContact CG1-CE2 4.09Å; V290-F369 HydrophobicContact CB-CE1 3.74Å; V290-F369 HydrophobicContact CB-CZ 4.01Å; V290-F369 HydrophobicContact CG1-CD1 4.16Å; V290-F369 HydrophobicContact CG1-CE1 3.76Å; V290-F369 HydrophobicContact CG1-CZ 4.17Å; V290-F369 HydrophobicContact CG2-CE1 3.93Å; V290-F369 HydrophobicContact CG2-CZ 3.64Å
291	A	98.9	Very high	98.1	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-59.4	-38.5	173.7	0	0	0	0	0	112.8	A287 M288 M294 R295 Y366 V432 K433 I436	A287-A291 PolarHBondContact O-N 3.36Å; M288-A291 PolarHBondContact O-N 3.22Å; A291-M294 PolarHBondContact O-N 3.48Å; A291-R295 WeakPolarHBondContact O-CB 3.48Å; A291-R295 PolarHBondContact O-N 3.49Å; A291-Y366 HydrophobicContact CB-CE2 3.91Å; A291-V432 HydrophobicContact CB-CG1 4.11Å; A291-K433 HydrophobicContact CB-CB 4.43Å; A291-I436 HydrophobicContact CB-CG2 3.73Å
292	S	98.8	Very high	98.2	Very high	20 Å²	20	24.6 Å²	24.6	14%	0.14	13%	0.128	C	C	.	.	H	α-helix	trans	-64.1	-43.9	176.3	-160.6	0	0	0	0	111.4	H240 N242 M288 N289 V290 H296	H240-S292 VanDerWaalsContact CE1-C 3.48Å; H240-S292 PolarHBondContact CE1-O 2.84Å; H240-S292 PolarHBondContact CE1-OG 3.21Å; N242-S292 WeakPolarHBondContact OD1-CB 3.5Å; M288-S292 WeakPolarHBondContact O-CB 3.46Å; M288-S292 PolarHBondContact O-N 3.36Å; N289-S292 WeakPolarHBondContact O-CB 3.46Å; N289-S292 PolarHBondContact O-N 3.08Å; V290-S292 VanDerWaalsContact C-N 3.28Å; V290-S292 PolarHBondContact O-N 3.03Å; S292-H296 PolarHBondContact O-N 3.03Å
293	G	98.8	Very high	98.2	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-62.7	-47.3	173.4	0	0	0	0	0	113.3	N289 V290 R295 H296 L297	N289-G293 PolarHBondContact O-N 2.85Å; V290-G293 PolarHBondContact O-N 3Å; G293-R295 VanDerWaalsContact C-N 3.33Å; G293-R295 PolarHBondContact O-N 2.76Å; G293-H296 WeakPolarHBondContact O-CA 3.31Å; G293-H296 VanDerWaalsContact O-CB 3.31Å; G293-H296 WeakPolarHBondContact O-CB 3.12Å; G293-H296 PolarHBondContact O-N 3.44Å; G293-L297 WeakPolarHBondContact O-CD1 3.35Å; G293-L297 PolarHBondContact O-N 3.49Å
294	M	98.8	Very high	98.1	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.005	12%	0.123	C	C	.	.	H	α-helix	trans	-64.6	-35.1	179.1	-70.1	-55.4	-61.6	0	0	113.1	V290 A291 H296 L297 S298 H304 L307 I322 D362 F429	V290-M294 HydrophobicContact CG1-CG 4.26Å; V290-M294 WeakPolarHBondContact O-CG 3.3Å; V290-M294 PolarHBondContact O-N 3.34Å; A291-M294 PolarHBondContact O-N 3.48Å; M294-H296 VanDerWaalsContact C-N 3.28Å; M294-H296 PolarHBondContact O-N 2.96Å; M294-L297 HydrophobicContact CE-CD2 4.07Å; M294-L297 WeakPolarHBondContact O-CB 3.49Å; M294-L297 PolarHBondContact O-N 3.29Å; M294-L297 HydrophobicContact SD-CD2 3.83Å; M294-S298 PolarHBondContact O-N 3.14Å; M294-H304 HydrophobicContact CE-CB 4.02Å; M294-H304 HydrophobicContact SD-CB 4.44Å; M294-L307 HydrophobicContact CE-CD2 4.05Å; M294-L307 HydrophobicContact CG-CD1 4.37Å; M294-L307 HydrophobicContact CG-CD2 3.76Å; M294-L307 HydrophobicContact SD-CD1 3.94Å; M294-L307 HydrophobicContact SD-CD2 3.79Å; M294-L307 HydrophobicContact SD-CG 4.32Å; M294-I322 HydrophobicContact CG-CD1 3.78Å; M294-I322 HydrophobicContact SD-CD1 3.68Å; M294-D362 HydrophobicContact CE-CB 3.64Å; M294-F429 HydrophobicContact CB-CD1 3.54Å; M294-F429 HydrophobicContact CB-CD2 4Å; M294-F429 HydrophobicContact CB-CE1 3.39Å; M294-F429 HydrophobicContact CB-CE2 3.87Å; M294-F429 HydrophobicContact CB-CG 3.86Å; M294-F429 HydrophobicContact CB-CZ 3.57Å; M294-F429 HydrophobicContact CE-CE2 3.68Å; M294-F429 HydrophobicContact CE-CZ 3.62Å; M294-F429 HydrophobicContact CG-CE1 3.92Å; M294-F429 HydrophobicContact CG-CZ 3.92Å
295	R	98.6	Very high	98	Very high	110 Å²	110	24.7 Å²	24.7	42%	0.415	13%	0.127	S	C	.	.	H	α-helix	trans	-60	-38.1	169.8	-176.9	-173.2	174.7	-125.4	-4	112	A291 G293 S299 F429 N430 K433	A291-R295 WeakPolarHBondContact O-CB 3.48Å; A291-R295 PolarHBondContact O-N 3.49Å; G293-R295 VanDerWaalsContact C-N 3.33Å; G293-R295 PolarHBondContact O-N 2.76Å; R295-S299 PolarHBondContact O-N 3.37Å; R295-F429 HydrophobicContact CB-CB 4Å; R295-N430 PolarHBondContact NE-OD1 3.19Å; R295-N430 PolarHBondContact NH2-OD1 2.8Å; R295-K433 HydrophobicContact CB-CB 4.48Å
296	H	98.4	Very high	97.9	Very high	35 Å²	35	22.3 Å²	22.3	16%	0.162	12%	0.12	C	C	.	.	H	α-helix	trans	-66.4	-44.4	174.8	-172.7	88.4	0	0	0	111.6	Q239 H240 I243 S292 G293 M294 S299 K300	Q239-H296 PolarHBondContact O-CE1 2.95Å; H240-H296 HydrophobicContact CB-CB 4.22Å; H240-H296 AromaticContact CD2-CG 4Å; H240-H296 AromaticContact CD2-ND1 3.87Å; H240-H296 AromaticContact CG-CG 3.97Å; I243-H296 HydrophobicContact CD1-CB 4.31Å; S292-H296 PolarHBondContact O-N 3.03Å; G293-H296 WeakPolarHBondContact O-CA 3.31Å; G293-H296 VanDerWaalsContact O-CB 3.31Å; G293-H296 WeakPolarHBondContact O-CB 3.12Å; G293-H296 PolarHBondContact O-N 3.44Å; M294-H296 VanDerWaalsContact C-N 3.28Å; M294-H296 PolarHBondContact O-N 2.96Å; H296-S299 PolarHBondContact O-N 2.93Å; H296-S299 PolarHBondContact O-OG 3.03Å; H296-K300 WeakPolarHBondContact O-CG 3.13Å; H296-K300 PolarHBondContact O-N 3.37Å
297	L	98.2	Very high	97.9	Very high	1 Å²	1	22.3 Å²	22.3	1%	0.005	12%	0.12	C	C	.	.	H	α-helix	trans	-54.9	-52.2	173.3	-92.8	64.9	0	0	0	112	L238 I243 G293 M294 S299 K300 G301 I302 H304 F325	L238-L297 HydrophobicContact CD1-CD1 4.45Å; L238-L297 HydrophobicContact CD2-CD1 3.97Å; L238-L297 HydrophobicContact CD2-CG 4.39Å; I243-L297 HydrophobicContact CD1-CD1 3.34Å; I243-L297 HydrophobicContact CG1-CD1 4.14Å; G293-L297 WeakPolarHBondContact O-CD1 3.35Å; G293-L297 PolarHBondContact O-N 3.49Å; M294-L297 HydrophobicContact CE-CD2 4.07Å; M294-L297 WeakPolarHBondContact O-CB 3.49Å; M294-L297 PolarHBondContact O-N 3.29Å; M294-L297 HydrophobicContact SD-CD2 3.83Å; L297-S299 VanDerWaalsContact C-N 3.32Å; L297-S299 PolarHBondContact O-N 3.15Å; L297-K300 CarbonylContact O-C 3.45Å; L297-K300 WeakPolarHBondContact O-CA 3.33Å; L297-K300 WeakPolarHBondContact O-CB 3.48Å; L297-K300 PolarHBondContact O-N 3.25Å; L297-G301 PolarHBondContact O-N 3.47Å; L297-I302 CarbonylContact C-O 3.54Å; L297-I302 HydrophobicContact CB-CB 4.36Å; L297-I302 HydrophobicContact CB-CG2 4.5Å; L297-I302 HydrophobicContact CD2-CG2 4.25Å; L297-I302 HydrophobicContact CG-CB 4.29Å; L297-I302 HydrophobicContact CG-CG2 3.97Å; L297-I302 PolarHBondContact O-N 3.3Å; L297-H304 HydrophobicContact CD2-CB 3.81Å; L297-F325 HydrophobicContact CD1-CE1 4.15Å; L297-F325 HydrophobicContact CD2-CE1 4.06Å; L297-F325 HydrophobicContact CG-CE1 4.34Å
298	S	97.5	Very high	97.9	Very high	25 Å²	25	22.3 Å²	22.3	18%	0.175	12%	0.12	C	C	.	.	H	α-helix	trans	-51	-49.3	174.3	151.2	0	0	0	0	111.7	M294 K300 G301 E359	M294-S298 PolarHBondContact O-N 3.14Å; S298-K300 PolarHBondContact O-N 3.47Å; S298-G301 PolarHBondContact O-N 2.96Å; S298-E359 VanDerWaalsContact CB-OE2 3.3Å; S298-E359 WeakPolarHBondContact CB-OE2 3.36Å; S298-E359 PolarHBondContact OG-OE2 2.66Å
299	S	97	Very high	97.9	Very high	85 Å²	85	21.4 Å²	21.4	59%	0.594	12%	0.115	S	C	*	.	H	α-helix	trans	-64.7	-11.8	179	76.8	0	0	0	0	115.1	R295 H296 L297	R295-S299 PolarHBondContact O-N 3.37Å; H296-S299 PolarHBondContact O-N 2.93Å; H296-S299 PolarHBondContact O-OG 3.03Å; L297-S299 VanDerWaalsContact C-N 3.32Å; L297-S299 PolarHBondContact O-N 3.15Å
300	K	96.9	Very high	97.8	Very high	90 Å²	90	24.3 Å²	24.3	39%	0.391	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.1	-0.1	175.1	-64.8	-64.1	-170.4	173.4	0	113.2	V237 L238 H296 L297 S298 I302	V237-K300 WeakPolarHBondContact O-CE 3.42Å; L238-K300 HydrophobicContact CD2-CG 4.43Å; H296-K300 WeakPolarHBondContact O-CG 3.13Å; H296-K300 PolarHBondContact O-N 3.37Å; L297-K300 CarbonylContact O-C 3.45Å; L297-K300 WeakPolarHBondContact O-CA 3.33Å; L297-K300 WeakPolarHBondContact O-CB 3.48Å; L297-K300 PolarHBondContact O-N 3.25Å; S298-K300 PolarHBondContact O-N 3.47Å; K300-I302 VanDerWaalsContact C-N 3.3Å; K300-I302 HydrophobicContact CB-CD1 3.78Å; K300-I302 HydrophobicContact CB-CG1 4.13Å
301	G	96.6	Very high	97.7	Very high	25 Å²	25	25 Å²	25	26%	0.258	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.7	34.8	-171.9	0	0	0	0	0	112.5	L297 S298 Q330 G331	L297-G301 PolarHBondContact O-N 3.47Å; S298-G301 PolarHBondContact O-N 2.96Å; G301-Q330 CarbonylContact O-C 3.51Å; G301-Q330 WeakPolarHBondContact O-CA 3.2Å; G301-Q330 WeakPolarHBondContact O-CG 3.4Å; G301-G331 PolarHBondContact O-N 3.05Å
302	I	97.7	Very high	97.7	Very high	5 Å²	5	25 Å²	25	3%	0.026	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	125.3	178	-69.1	163.5	0	0	0	109	I234 V237 L238 L297 K300 Q330	I234-I302 HydrophobicContact CG2-CD1 3.99Å; I234-I302 HydrophobicContact CG2-CG1 4.34Å; I234-I302 HydrophobicContact CG2-CG2 3.87Å; V237-I302 HydrophobicContact CG2-CD1 3.72Å; L238-I302 HydrophobicContact CD1-CD1 4.26Å; L238-I302 HydrophobicContact CD2-CD1 3.55Å; L238-I302 HydrophobicContact CG-CD1 3.86Å; L297-I302 CarbonylContact C-O 3.54Å; L297-I302 HydrophobicContact CB-CB 4.36Å; L297-I302 HydrophobicContact CB-CG2 4.5Å; L297-I302 HydrophobicContact CD2-CG2 4.25Å; L297-I302 HydrophobicContact CG-CB 4.29Å; L297-I302 HydrophobicContact CG-CG2 3.97Å; L297-I302 PolarHBondContact O-N 3.3Å; K300-I302 VanDerWaalsContact C-N 3.3Å; K300-I302 HydrophobicContact CB-CD1 3.78Å; K300-I302 HydrophobicContact CB-CG1 4.13Å; I302-Q330 HydrophobicContact CG1-CG 4.42Å
303	I	97.6	Very high	97.6	Very high	3 Å²	3	25.8 Å²	25.8	2%	0.015	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	118.7	174.8	-45.9	156.5	0	0	0	107.3	R305 S328 L329 G331 V334 F357 D362	I303-R305 HydrophobicContact CB-CG 4.31Å; I303-R305 HydrophobicContact CG2-CG 3.77Å; I303-S328 CarbonylContact O-C 3.48Å; I303-S328 WeakPolarHBondContact O-CA 3.46Å; I303-S328 VanDerWaalsContact O-CB 3.31Å; I303-S328 WeakPolarHBondContact O-CB 3Å; I303-L329 PolarHBondContact N-O 3.48Å; I303-L329 PolarHBondContact O-N 3.45Å; I303-G331 WeakPolarHBondContact CD1-O 3.15Å; I303-V334 HydrophobicContact CD1-CG2 4.13Å; I303-F357 HydrophobicContact CD1-CB 4.47Å; I303-F357 WeakPolarHBondContact CD1-O 3.24Å; I303-F357 HydrophobicContact CG2-CB 4.2Å; I303-D362 WeakPolarHBondContact CA-OD2 3.37Å; I303-D362 WeakPolarHBondContact CG2-OD2 3.42Å
304	H	97.1	Very high	97.6	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.132	C	C	.	.			trans	-69.2	-46.3	-174.9	-167.6	-32.1	0	0	0	112.3	M294 L297 D306 I322 S323 D324 S328 D362	M294-H304 HydrophobicContact CE-CB 4.02Å; M294-H304 HydrophobicContact SD-CB 4.44Å; L297-H304 HydrophobicContact CD2-CB 3.81Å; H304-D306 PolarHBondContact O-N 3.23Å; H304-D306 VanDerWaalsContact O-N 3.09Å; H304-I322 VanDerWaalsContact CD2-CG2 3.46Å; H304-I322 WeakPolarHBondContact CD2-CG2 3.45Å; H304-I322 WeakPolarHBondContact NE2-CG2 3.13Å; H304-S323 PolarHBondContact CE1-O 3.16Å; H304-S323 PolarHBondContact NE2-O 2.86Å; H304-D324 PolarHBondContact CE1-O 3Å; H304-S328 WeakPolarHBondContact CA-OG 3.49Å; H304-S328 WeakPolarHBondContact O-CA 3.49Å; H304-S328 PolarHBondContact O-OG 2.7Å; H304-D362 PolarHBondContact N-OD1 3.06Å; H304-D362 PolarHBondContact N-OD2 3.17Å
305	R	96.1	Very high	97.5	Very high	23 Å²	23	26.2 Å²	26.2	9%	0.087	13%	0.134	C	C	.	.	S	Bend	trans	64.3	-1.5	-179.2	-53.6	-179.9	54.8	-123	1.3	116.9	I303 L327 F357 D362	I303-R305 HydrophobicContact CB-CG 4.31Å; I303-R305 HydrophobicContact CG2-CG 3.77Å; R305-L327 HydrophobicContact CB-CB 4.48Å; R305-L327 WeakPolarHBondContact CD-O 3.43Å; R305-L327 PolarHBondContact NH1-O 3.14Å; R305-F357 HydrophobicContact CB-CD1 4.17Å; R305-F357 HydrophobicContact CB-CE1 4.26Å; R305-F357 HydrophobicContact CG-CB 4.2Å; R305-F357 HydrophobicContact CG-CD1 3.62Å; R305-F357 HydrophobicContact CG-CE1 4.17Å; R305-F357 HydrophobicContact CG-CG 3.99Å; R305-F357 VanDerWaalsContact NE-CG 3.32Å; R305-F357 VanDerWaalsContact NH2-CZ 3.33Å; R305-D362 PolarHBondContact N-OD1 2.92Å
306	D	96.2	Very high	97.3	Very high	20 Å²	20	28.9 Å²	28.9	11%	0.107	15%	0.151	C	C	.	.			trans	-147.2	38.8	178.6	-161	21.1	0	0	0	112.6	H304 A308 R310 N311 L327 P343	H304-D306 PolarHBondContact O-N 3.23Å; H304-D306 VanDerWaalsContact O-N 3.09Å; D306-A308 PolarHBondContact O-N 2.66Å; D306-R310 IonicContact OD1-CZ 2.87Å; D306-R310 IonicContact OD1-NE 3.29Å; D306-R310 IonicContact OD1-NH2 2.89Å; D306-R310 PolarHBondContact OD1-NH2 2.65Å; D306-N311 PolarHBondContact O-ND2 2.9Å; D306-N311 PolarHBondContact OD2-ND2 2.9Å; D306-L327 HydrophobicContact CB-CB 4.4Å; D306-L327 HydrophobicContact CB-CD1 4.05Å; D306-P343 HydrophobicContact CB-CG 4.47Å; D306-P343 VanDerWaalsContact OD1-CB 3.27Å; D306-P343 WeakPolarHBondContact OD1-CB 3.3Å; D306-P343 VanDerWaalsContact OD1-CG 3.3Å; D306-P343 WeakPolarHBondContact OD1-CG 3.16Å
307	L	98.4	Very high	97.1	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.168	C	C	.	.			trans	-71	117.2	174.7	179.5	66.5	0	0	0	110.4	V290 M294 Y366	V290-L307 HydrophobicContact CG1-CD1 3.83Å; V290-L307 HydrophobicContact CG1-CD2 4.46Å; M294-L307 HydrophobicContact CE-CD2 4.05Å; M294-L307 HydrophobicContact CG-CD1 4.37Å; M294-L307 HydrophobicContact CG-CD2 3.76Å; M294-L307 HydrophobicContact SD-CD1 3.94Å; M294-L307 HydrophobicContact SD-CD2 3.79Å; M294-L307 HydrophobicContact SD-CG 4.32Å; L307-Y366 HydrophobicContact CD2-CD2 4.16Å; L307-Y366 HydrophobicContact CD2-CG 4.45Å
308	A	98.1	Very high	97.1	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.18	C	C	.	.	S	Bend	trans	-159.1	164.3	176.8	0	0	0	0	0	110.6	D306 R310 N311 C312 W346 E372	D306-A308 PolarHBondContact O-N 2.66Å; A308-R310 HydrophobicContact CB-CG 3.87Å; A308-R310 VanDerWaalsContact CB-CZ 3.49Å; A308-R310 PolarHBondContact O-N 3.27Å; A308-N311 PolarHBondContact O-N 3.25Å; A308-C312 PolarHBondContact O-N 2.94Å; A308-W346 HydrophobicContact CB-CD2 4.26Å; A308-W346 HydrophobicContact CB-CG 4.31Å; A308-W346 HydrophobicContact CB-CZ2 4.29Å; A308-E372 WeakPolarHBondContact CA-OE2 3.49Å
309	A	98.4	Very high	97.1	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-62.2	-27.5	-179.1	0	0	0	0	0	113.5	L268 R269 N311 C312 F369 E372	L268-A309 PolarHBondContact N-O 2.91Å; R269-A309 HydrophobicContact CB-CB 4.05Å; R269-A309 PolarHBondContact N-O 2.9Å; R269-A309 VanDerWaalsContact N-O 3.07Å; A309-N311 VanDerWaalsContact C-N 3.28Å; A309-N311 PolarHBondContact O-N 2.91Å; A309-C312 PolarHBondContact O-N 2.89Å; A309-F369 HydrophobicContact CB-CD2 4.06Å; A309-F369 HydrophobicContact CB-CE2 4.06Å; A309-E372 HydrophobicContact CB-CB 4.13Å; A309-E372 PolarHBondContact N-OE2 3.19Å
310	R	96.5	Very high	97.2	Very high	68 Å²	68	31.2 Å²	31.2	26%	0.257	15%	0.154	S	C	.	.	G	3₁₀ helix	trans	-65.4	-25.6	172.5	57.9	164.4	-178.5	-71.4	-8.3	114.2	R269 D306 A308 P343	R269-R310 HydrophobicContact CB-CB 4.43Å; D306-R310 IonicContact OD1-CZ 2.87Å; D306-R310 IonicContact OD1-NE 3.29Å; D306-R310 IonicContact OD1-NH2 2.89Å; D306-R310 PolarHBondContact OD1-NH2 2.65Å; A308-R310 HydrophobicContact CB-CG 3.87Å; A308-R310 VanDerWaalsContact CB-CZ 3.49Å; A308-R310 PolarHBondContact O-N 3.27Å; R310-P343 VanDerWaalsContact NH2-CB 3.3Å
311	N	97.1	Very high	97.2	Very high	15 Å²	15	27.6 Å²	27.6	8%	0.08	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-103.6	6.6	-176.4	-67.1	-7.1	0	0	0	111.5	D306 A308 A309 S323	D306-N311 PolarHBondContact O-ND2 2.9Å; D306-N311 PolarHBondContact OD2-ND2 2.9Å; A308-N311 PolarHBondContact O-N 3.25Å; A309-N311 VanDerWaalsContact C-N 3.28Å; A309-N311 PolarHBondContact O-N 2.91Å; N311-S323 CarbonylContact O-C 3.56Å; N311-S323 WeakPolarHBondContact O-CA 3.29Å; N311-S323 WeakPolarHBondContact O-CB 3.49Å; N311-S323 PolarHBondContact O-N 3.43Å
312	C	98.4	Very high	97.3	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	138.2	166.7	-62.5	0	0	0	0	109	D267 L268 A308 A309 K321	D267-C312 CarbonylContact C-O 3.58Å; D267-C312 WeakPolarHBondContact CA-O 3.43Å; L268-C312 HydrophobicContact CB-CB 3.9Å; L268-C312 WeakPolarHBondContact CB-O 3.43Å; L268-C312 HydrophobicContact CD2-CB 3.92Å; L268-C312 PolarHBondContact N-O 3.45Å; A308-C312 PolarHBondContact O-N 2.94Å; A309-C312 PolarHBondContact O-N 2.89Å; C312-K321 CarbonylContact C-O 3.56Å; C312-K321 VanDerWaalsContact CA-O 3.32Å; C312-K321 WeakPolarHBondContact CA-O 3.41Å
313	L	98	Very high	97.2	Very high	36 Å²	36	26.9 Å²	26.9	19%	0.188	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	149.7	176.9	-56	-176.5	0	0	0	111	V244 V263 G266 D267 A320 K321	V244-L313 HydrophobicContact CG2-CD1 3.87Å; V244-L313 HydrophobicContact CG2-CG 4.46Å; V263-L313 HydrophobicContact CB-CB 3.88Å; V263-L313 HydrophobicContact CB-CD1 3.86Å; V263-L313 HydrophobicContact CG1-CB 3.56Å; V263-L313 HydrophobicContact CG1-CD1 4.49Å; V263-L313 HydrophobicContact CG2-CB 4.43Å; V263-L313 HydrophobicContact CG2-CD1 4.26Å; G266-L313 CarbonylContact O-C 3.58Å; G266-L313 WeakPolarHBondContact O-CA 3.27Å; D267-L313 HydrophobicContact CB-CD2 4.26Å; L313-A320 WeakPolarHBondContact O-CA 3.45Å; L313-K321 PolarHBondContact N-O 3.35Å; L313-K321 PolarHBondContact O-N 3.36Å
314	V	98.3	Very high	97	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.006	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	127.3	-179	-174.7	0	0	0	0	110.9	V263 G265 G266 L268 Y271 F286 L318 K319	V263-V314 VanDerWaalsContact CG1-C 3.48Å; V263-V314 WeakPolarHBondContact CG1-O 3.47Å; G265-V314 WeakPolarHBondContact CA-O 3.4Å; G265-V314 PolarHBondContact N-O 2.65Å; G266-V314 PolarHBondContact O-N 3.26Å; L268-V314 HydrophobicContact CB-CG2 3.86Å; L268-V314 HydrophobicContact CD1-CG2 3.68Å; L268-V314 HydrophobicContact CG-CG2 4.34Å; Y271-V314 HydrophobicContact CD1-CG2 4.46Å; Y271-V314 HydrophobicContact CD2-CG1 4.26Å; Y271-V314 HydrophobicContact CD2-CG2 4.48Å; Y271-V314 HydrophobicContact CE2-CG1 4.39Å; Y271-V314 HydrophobicContact CG-CG2 4.06Å; F286-V314 HydrophobicContact CE1-CG1 4.06Å; F286-V314 HydrophobicContact CE1-CG2 4.37Å; F286-V314 HydrophobicContact CZ-CG1 4.14Å; F286-V314 HydrophobicContact CZ-CG2 4.42Å; V314-L318 HydrophobicContact CG1-CD2 4.13Å; V314-K319 WeakPolarHBondContact CA-O 3.38Å
315	T	97.2	Very high	96.8	Very high	9 Å²	9	28.2 Å²	28.2	6%	0.055	14%	0.137	C	C	.	.			trans	-82	170.7	177.2	65.2	0	0	0	0	112.3	V263 D317 L318 K319 K321	V263-T315 HydrophobicContact CG1-CG2 4.11Å; T315-D317 VanDerWaalsContact C-N 3.28Å; T315-D317 WeakPolarHBondContact CB-OD1 3.38Å; T315-D317 PolarHBondContact O-N 2.83Å; T315-D317 PolarHBondContact OG1-OD1 3.3Å; T315-L318 PolarHBondContact O-N 3.18Å; T315-L318 VanDerWaalsContact O-N 3.1Å; T315-K319 HydrophobicContact CG2-CB 4.26Å; T315-K319 PolarHBondContact N-O 3.47Å; T315-K319 WeakPolarHBondContact OG1-CA 3.46Å; T315-K319 WeakPolarHBondContact OG1-CB 3.39Å; T315-K319 PolarHBondContact OG1-N 2.94Å; T315-K319 PolarHBondContact OG1-O 2.91Å; T315-K321 HydrophobicContact CG2-CD 3.99Å; T315-K321 HydrophobicContact CG2-CG 4Å
316	Q	94.1	Very high	96.4	Very high	165 Å²	165	27.2 Å²	27.2	77%	0.771	13%	0.134	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-31.6	176.4	-64.3	-178	-1.3	0	0	112.6	T264 L318	T264-Q316 VanDerWaalsContact OG1-CG 3.3Å; T264-Q316 WeakPolarHBondContact OG1-CG 3.24Å; T264-Q316 PolarHBondContact OG1-NE2 3.31Å; Q316-L318 PolarHBondContact O-N 3.42Å
317	D	94.7	Very high	96.1	Very high	96 Å²	96	27.4 Å²	27.4	51%	0.513	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	19.1	172.7	64.9	-42.3	0	0	0	113.3	T315 K319	T315-D317 VanDerWaalsContact C-N 3.28Å; T315-D317 WeakPolarHBondContact CB-OD1 3.38Å; T315-D317 PolarHBondContact O-N 2.83Å; T315-D317 PolarHBondContact OG1-OD1 3.3Å; D317-K319 VanDerWaalsContact C-N 3.26Å; D317-K319 PolarHBondContact O-N 3.01Å; D317-K319 VanDerWaalsContact OD2-CD 3.29Å; D317-K319 WeakPolarHBondContact OD2-CD 3.33Å; D317-K319 WeakPolarHBondContact OD2-CE 3.29Å; D317-K319 WeakPolarHBondContact OD2-CG 3.2Å
318	L	96.3	Very high	95.9	Very high	48 Å²	48	27.4 Å²	27.4	25%	0.251	14%	0.135	S	C	.	.	S	Bend	trans	54.7	35	176.3	-54.9	179.9	0	0	0	114.5	Y271 Q282 F286 V314 T315 Q316	Y271-L318 HydrophobicContact CE2-CD2 4.06Å; Q282-L318 PolarHBondContact NE2-O 3.08Å; F286-L318 VanDerWaalsContact CE1-O 3.23Å; F286-L318 WeakPolarHBondContact CE1-O 3.18Å; V314-L318 HydrophobicContact CG1-CD2 4.13Å; T315-L318 PolarHBondContact O-N 3.18Å; T315-L318 VanDerWaalsContact O-N 3.1Å; Q316-L318 PolarHBondContact O-N 3.42Å
319	K	97.9	Very high	95.6	Very high	51 Å²	51	28.7 Å²	28.7	22%	0.222	14%	0.141	C	C	.	.			trans	-87.6	153.6	164	-64.7	-175.9	178.6	-171.4	0	110.7	E241 N289 V314 T315 D317	E241-K319 IonicContact OE2-NZ 2.84Å; E241-K319 PolarHBondContact OE2-NZ 2.76Å; N289-K319 WeakPolarHBondContact OD1-CA 3.34Å; N289-K319 VanDerWaalsContact OD1-CB 3.22Å; N289-K319 WeakPolarHBondContact OD1-CB 3.44Å; V314-K319 WeakPolarHBondContact CA-O 3.38Å; T315-K319 HydrophobicContact CG2-CB 4.26Å; T315-K319 PolarHBondContact N-O 3.47Å; T315-K319 WeakPolarHBondContact OG1-CA 3.46Å; T315-K319 WeakPolarHBondContact OG1-CB 3.39Å; T315-K319 PolarHBondContact OG1-N 2.94Å; T315-K319 PolarHBondContact OG1-O 2.91Å; D317-K319 VanDerWaalsContact C-N 3.26Å; D317-K319 PolarHBondContact O-N 3.01Å; D317-K319 VanDerWaalsContact OD2-CD 3.29Å; D317-K319 WeakPolarHBondContact OD2-CD 3.33Å; D317-K319 WeakPolarHBondContact OD2-CE 3.29Å; D317-K319 WeakPolarHBondContact OD2-CG 3.2Å
320	A	98.6	Very high	95.4	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	140.3	167.3	0	0	0	0	0	111.1	N242 L268 F286 N289 V290 L313	N242-A320 PolarHBondContact ND2-O 3.06Å; N242-A320 VanDerWaalsContact ND2-O 3.08Å; L268-A320 HydrophobicContact CD2-CB 4.32Å; F286-A320 HydrophobicContact CB-CB 4.37Å; F286-A320 HydrophobicContact CD1-CB 3.85Å; N289-A320 HydrophobicContact CB-CB 3.92Å; N289-A320 PolarHBondContact OD1-N 2.82Å; V290-A320 HydrophobicContact CG2-CB 3.88Å; L313-A320 WeakPolarHBondContact O-CA 3.45Å
321	K	98.7	Very high	95.1	Very high	15 Å²	15	32.4 Å²	32.4	7%	0.065	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	135.1	171.4	-63.4	-166.3	176.7	-162.7	0	111.3	E241 N242 V244 E261 V263 C312 L313 T315	E241-K321 WeakPolarHBondContact O-CE 3.37Å; N242-K321 WeakPolarHBondContact O-CA 3.13Å; V244-K321 HydrophobicContact CG2-CB 4.05Å; E261-K321 IonicContact OE1-NZ 3.94Å; E261-K321 PolarHBondContact OE1-NZ 3.42Å; E261-K321 IonicContact OE2-NZ 2.62Å; E261-K321 PolarHBondContact OE2-NZ 2.98Å; V263-K321 HydrophobicContact CG2-CD 4.13Å; C312-K321 CarbonylContact C-O 3.56Å; C312-K321 VanDerWaalsContact CA-O 3.32Å; C312-K321 WeakPolarHBondContact CA-O 3.41Å; L313-K321 PolarHBondContact N-O 3.35Å; L313-K321 PolarHBondContact O-N 3.36Å; T315-K321 HydrophobicContact CG2-CD 3.99Å; T315-K321 HydrophobicContact CG2-CG 4Å
322	I	98.6	Very high	94.9	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	139.3	175.9	-59	171	0	0	0	110.1	N242 V244 V290 M294 H304 F325	N242-I322 PolarHBondContact O-N 3.13Å; V244-I322 WeakPolarHBondContact CG2-O 3.42Å; V244-I322 PolarHBondContact N-O 3.43Å; V290-I322 HydrophobicContact CG1-CD1 4.26Å; V290-I322 HydrophobicContact CG1-CG1 4.27Å; M294-I322 HydrophobicContact CG-CD1 3.78Å; M294-I322 HydrophobicContact SD-CD1 3.68Å; H304-I322 VanDerWaalsContact CD2-CG2 3.46Å; H304-I322 WeakPolarHBondContact CD2-CG2 3.45Å; H304-I322 WeakPolarHBondContact NE2-CG2 3.13Å; I322-F325 HydrophobicContact CG2-CE1 4.41Å; I322-F325 HydrophobicContact CG2-CZ 4.03Å
323	S	95.8	Very high	94.8	Very high	15 Å²	15	41.5 Å²	41.5	11%	0.105	22%	0.22	C	C	.	.			trans	-143.3	176.6	-175.2	-163.3	0	0	0	0	111.9	H304 N311	H304-S323 PolarHBondContact CE1-O 3.16Å; H304-S323 PolarHBondContact NE2-O 2.86Å; N311-S323 CarbonylContact O-C 3.56Å; N311-S323 WeakPolarHBondContact O-CA 3.29Å; N311-S323 WeakPolarHBondContact O-CB 3.49Å; N311-S323 PolarHBondContact O-N 3.43Å
324	D	92.2	Very high	94.5	Very high	30 Å²	30	40.4 Å²	40.4	16%	0.16	21%	0.214	C	C	.	.			trans	54.7	78.2	-179.9	-152.4	-7.1	0	0	0	115	K214 H304 G326	K214-D324 IonicContact NZ-OD1 3.34Å; K214-D324 PolarHBondContact NZ-OD1 2.75Å; H304-D324 PolarHBondContact CE1-O 3Å; D324-G326 PolarHBondContact O-N 2.65Å
325	F	93.3	Very high	94.3	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.236	C	C	.	.			trans	-86	12	179.8	-63.7	-88.4	0	0	0	113.2	E231 I234 M235 L238 I243 L297 I322 L327 S328	E231-F325 HydrophobicContact CG-CB 3.92Å; I234-F325 HydrophobicContact CG2-CB 4.25Å; I234-F325 HydrophobicContact CG2-CD1 4.08Å; I234-F325 HydrophobicContact CG2-CG 4.39Å; M235-F325 HydrophobicContact CE-CD2 4.34Å; M235-F325 HydrophobicContact CG-CB 4.26Å; M235-F325 HydrophobicContact CG-CD2 3.67Å; M235-F325 HydrophobicContact CG-CE2 4.37Å; M235-F325 HydrophobicContact CG-CG 4.14Å; M235-F325 HydrophobicContact SD-CD2 4.07Å; L238-F325 HydrophobicContact CD1-CD1 3.84Å; L238-F325 HydrophobicContact CD1-CE1 3.39Å; L238-F325 HydrophobicContact CD1-CE2 4.22Å; L238-F325 HydrophobicContact CD1-CG 4.41Å; L238-F325 HydrophobicContact CD1-CZ 3.63Å; I243-F325 HydrophobicContact CG2-CE2 4Å; I243-F325 HydrophobicContact CG2-CZ 3.7Å; L297-F325 HydrophobicContact CD1-CE1 4.15Å; L297-F325 HydrophobicContact CD2-CE1 4.06Å; L297-F325 HydrophobicContact CG-CE1 4.34Å; I322-F325 HydrophobicContact CG2-CE1 4.41Å; I322-F325 HydrophobicContact CG2-CZ 4.03Å; F325-L327 PolarHBondContact O-N 2.92Å; F325-L327 VanDerWaalsContact O-N 3.14Å; F325-S328 WeakPolarHBondContact CA-OG 3.34Å; F325-S328 VanDerWaalsContact O-CB 3.28Å; F325-S328 WeakPolarHBondContact O-CB 3.44Å; F325-S328 PolarHBondContact O-N 3.39Å; F325-S328 PolarHBondContact O-OG 2.68Å
326	G	88.2	Confident	93.8	Very high	3 Å²	3	44.7 Å²	44.7	3%	0.031	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-13.9	-171.5	0	0	0	0	0	115.7	F191 D324	F191-G326 WeakPolarHBondContact CE1-O 3.38Å; F191-G326 WeakPolarHBondContact CZ-O 3.46Å; D324-G326 PolarHBondContact O-N 2.65Å
327	L	89.1	Confident	93.1	Very high	23 Å²	23	46.2 Å²	46.2	12%	0.12	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.3	-3.2	169.8	-66.5	-177.6	0	0	0	113.5	F191 R305 D306 F325 K341	F191-L327 HydrophobicContact CZ-CD2 4.09Å; F191-L327 HydrophobicContact CZ-CG 4.25Å; R305-L327 HydrophobicContact CB-CB 4.48Å; R305-L327 WeakPolarHBondContact CD-O 3.43Å; R305-L327 PolarHBondContact NH1-O 3.14Å; D306-L327 HydrophobicContact CB-CB 4.4Å; D306-L327 HydrophobicContact CB-CD1 4.05Å; F325-L327 PolarHBondContact O-N 2.92Å; F325-L327 VanDerWaalsContact O-N 3.14Å; L327-K341 HydrophobicContact CD1-CB 4.37Å; L327-K341 HydrophobicContact CD2-CB 4.16Å; L327-K341 HydrophobicContact CD2-CD 4.19Å
328	S	93.9	Very high	92.3	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.236	C	C	.	.			trans	-72.4	152.9	-173.6	-53.8	0	0	0	0	112.4	N230 I234 I303 H304 F325	N230-S328 PolarHBondContact ND2-O 3.44Å; I234-S328 WeakPolarHBondContact CD1-O 3.43Å; I303-S328 CarbonylContact O-C 3.48Å; I303-S328 WeakPolarHBondContact O-CA 3.46Å; I303-S328 VanDerWaalsContact O-CB 3.31Å; I303-S328 WeakPolarHBondContact O-CB 3Å; H304-S328 WeakPolarHBondContact CA-OG 3.49Å; H304-S328 WeakPolarHBondContact O-CA 3.49Å; H304-S328 PolarHBondContact O-OG 2.7Å; F325-S328 WeakPolarHBondContact CA-OG 3.34Å; F325-S328 VanDerWaalsContact O-CB 3.28Å; F325-S328 WeakPolarHBondContact O-CB 3.44Å; F325-S328 PolarHBondContact O-N 3.39Å; F325-S328 PolarHBondContact O-OG 2.68Å
329	L	93.2	Very high	91.5	Very high	27 Å²	27	44.5 Å²	44.5	14%	0.141	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	149.8	179.9	-63.1	173.2	0	0	0	109.5	I303 V334 T336	I303-L329 PolarHBondContact N-O 3.48Å; I303-L329 PolarHBondContact O-N 3.45Å; L329-V334 HydrophobicContact CB-CG2 4.46Å; L329-V334 HydrophobicContact CD1-CB 4.16Å; L329-V334 HydrophobicContact CD1-CG1 3.85Å; L329-T336 HydrophobicContact CD1-CG2 4.44Å
330	Q	92.4	Very high	90.7	Very high	121 Å²	121	49.7 Å²	49.7	57%	0.565	26%	0.26	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.5	131.2	171	-164.9	174.6	19.8	0	0	109.9	G301 I302	G301-Q330 CarbonylContact O-C 3.51Å; G301-Q330 WeakPolarHBondContact O-CA 3.2Å; G301-Q330 WeakPolarHBondContact O-CG 3.4Å; I302-Q330 HydrophobicContact CG1-CG 4.42Å
331	G	91.9	Very high	89.9	Confident	25 Å²	25	53.4 Å²	53.4	26%	0.258	28%	0.277	S	S	.	.	S	Bend	trans	151.9	158.8	-176.3	0	0	0	0	0	111.4	G301 I303	G301-G331 PolarHBondContact O-N 3.05Å; I303-G331 WeakPolarHBondContact CD1-O 3.15Å
332	T	92.2	Very high	89.4	Confident	131 Å²	131	53.6 Å²	53.6	80%	0.804	28%	0.281	S	S	*	.	S	Bend	trans	-72.8	-43	172.7	46.4	0	0	0	0	111.2	N358	T332-N358 WeakPolarHBondContact O-CB 3.41Å
333	E	95.2	Very high	89.2	Confident	76 Å²	76	54.3 Å²	54.3	36%	0.355	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	134.9	173.1	-176.7	163.6	102.9	0	0	110.5	M356 F357 N358	E333-M356 VanDerWaalsContact CD-SD 3.53Å; E333-M356 HydrophobicContact CG-CG 3.78Å; E333-M356 HydrophobicContact CG-SD 4.38Å; E333-F357 CarbonylContact C-O 3.56Å; E333-F357 WeakPolarHBondContact CA-O 3.46Å; E333-N358 HydrophobicContact CB-CB 4.14Å; E333-N358 HydrophobicContact CG-CB 4.22Å; E333-N358 PolarHBondContact OE2-ND2 3.48Å
334	V	92.8	Very high	89.3	Confident	12 Å²	12	55.4 Å²	55.4	7%	0.073	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	127.3	179.7	-172	0	0	0	0	109.9	I303 L329 F357	I303-V334 HydrophobicContact CD1-CG2 4.13Å; L329-V334 HydrophobicContact CB-CG2 4.46Å; L329-V334 HydrophobicContact CD1-CB 4.16Å; L329-V334 HydrophobicContact CD1-CG1 3.85Å; V334-F357 PolarHBondContact N-O 2.7Å; V334-F357 PolarHBondContact O-N 2.88Å
335	T	93	Very high	89.6	Confident	75 Å²	75	55 Å²	55	46%	0.46	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	122.3	174.1	-66.4	0	0	0	0	110.6	G355	T335-G355 CarbonylContact C-O 3.56Å; T335-G355 WeakPolarHBondContact CA-O 3.34Å
336	T	87	Confident	89.8	Confident	25 Å²	25	55.6 Å²	55.6	15%	0.153	29%	0.288	C	S	.	.			trans	-137.4	130.4	175.7	-176.9	0	0	0	0	112.6	L329 N338 G355 F357	L329-T336 HydrophobicContact CD1-CG2 4.44Å; T336-N338 VanDerWaalsContact C-N 3.27Å; T336-N338 PolarHBondContact O-N 3.32Å; T336-N338 PolarHBondContact OG1-N 3.01Å; T336-G355 PolarHBondContact N-O 2.86Å; T336-G355 WeakPolarHBondContact O-CA 3.17Å; T336-F357 HydrophobicContact CG2-CD2 3.89Å; T336-F357 HydrophobicContact CG2-CE2 3.74Å
337	K	79.7	Confident	90.2	Very high	198 Å²	198	55.6 Å²	55.6	86%	0.861	29%	0.288	S	S	*	.			trans	-79.4	-8.1	175.2	-62.3	-175	179.1	-177.8	0	113	L339	K337-L339 PolarHBondContact O-N 3.33Å
338	N	77.2	Confident	90.7	Very high	62 Å²	62	54.5 Å²	54.5	33%	0.332	28%	0.282	S	S	.	.			trans	-79	83	-179.3	-178.9	31.7	0	0	0	110.8	K223 T336 E340	K223-N338 VanDerWaalsContact CE-ND2 3.33Å; K223-N338 WeakPolarHBondContact CE-ND2 3.31Å; K223-N338 PolarHBondContact NZ-ND2 3.05Å; K223-N338 PolarHBondContact NZ-OD1 3.39Å; T336-N338 VanDerWaalsContact C-N 3.27Å; T336-N338 PolarHBondContact O-N 3.32Å; T336-N338 PolarHBondContact OG1-N 3.01Å; N338-E340 PolarHBondContact OD1-OE2 2.83Å
339	L	81.1	Confident	90.8	Very high	46 Å²	46	54.8 Å²	54.8	24%	0.241	28%	0.284	C	S	.	.			trans	-102.7	15.4	177.6	-59.2	-178	0	0	0	113.4	K337 K341 A342 F357	K337-L339 PolarHBondContact O-N 3.33Å; L339-K341 PolarHBondContact O-N 3.06Å; L339-A342 HydrophobicContact CB-CB 3.84Å; L339-A342 HydrophobicContact CD2-CB 4.08Å; L339-A342 WeakPolarHBondContact O-CB 3.4Å; L339-A342 PolarHBondContact O-N 3.42Å; L339-F357 HydrophobicContact CD2-CE2 3.88Å; L339-F357 HydrophobicContact CD2-CZ 3.65Å
340	E	79.7	Confident	91	Very high	159 Å²	159	54.5 Å²	54.5	74%	0.743	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-35.4	-176	-65	176.5	157.3	0	0	113.8	K223 N338	K223-E340 IonicContact NZ-OE2 3.2Å; K223-E340 PolarHBondContact NZ-OE2 3.24Å; N338-E340 PolarHBondContact OD1-OE2 2.83Å
341	K	82.4	Confident	91.2	Very high	79 Å²	79	48.7 Å²	48.7	34%	0.343	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.3	12.1	179.3	-62.9	177.1	174.6	177.8	0	113.1	F191 E227 L327 L339	F191-K341 VanDerWaalsContact CE1-NZ 3.25Å; E227-K341 IonicContact OE2-NZ 2.72Å; E227-K341 PolarHBondContact OE2-NZ 3.43Å; L327-K341 HydrophobicContact CD1-CB 4.37Å; L327-K341 HydrophobicContact CD2-CB 4.16Å; L327-K341 HydrophobicContact CD2-CD 4.19Å; L339-K341 PolarHBondContact O-N 3.06Å
342	A	88.2	Confident	91.4	Very high	19 Å²	19	47.9 Å²	47.9	16%	0.157	24%	0.244	C	C	.	.			trans	-71.4	136.5	-165.7	0	0	0	0	0	113.5	L339 I344 L347	L339-A342 HydrophobicContact CB-CB 3.84Å; L339-A342 HydrophobicContact CD2-CB 4.08Å; L339-A342 WeakPolarHBondContact O-CB 3.4Å; L339-A342 PolarHBondContact O-N 3.42Å; A342-I344 VanDerWaalsContact C-N 3.28Å; A342-I344 HydrophobicContact CB-CD1 4.06Å; A342-I344 PolarHBondContact O-N 2.85Å; A342-L347 HydrophobicContact CB-CD1 3.92Å
343	P	95.4	Very high	91.5	Very high	15 Å²	15	48.7 Å²	48.7	10%	0.097	24%	0.237	C	C	.	.			trans	-80.6	70.3	-179.5	35.9	-39.5	0	0	0	111.3	D306 R310 R345 W346 L347	D306-P343 HydrophobicContact CB-CG 4.47Å; D306-P343 VanDerWaalsContact OD1-CB 3.27Å; D306-P343 WeakPolarHBondContact OD1-CB 3.3Å; D306-P343 VanDerWaalsContact OD1-CG 3.3Å; D306-P343 WeakPolarHBondContact OD1-CG 3.16Å; R310-P343 VanDerWaalsContact NH2-CB 3.3Å; P343-R345 PolarHBondContact O-N 2.81Å; P343-W346 HydrophobicContact CB-CB 4.41Å; P343-W346 HydrophobicContact CB-CE3 3.92Å; P343-W346 PolarHBondContact O-N 2.82Å; P343-L347 HydrophobicContact CG-CD2 3.99Å; P343-L347 HydrophobicContact CG-CG 4.3Å; P343-L347 PolarHBondContact O-N 2.93Å
344	I	96.7	Very high	91.4	Very high	37 Å²	37	48 Å²	48	19%	0.19	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-43.4	-40.7	-167.2	-58.2	-56.9	0	0	0	115.4	A342 W346 L347 L352 L387 K391	A342-I344 VanDerWaalsContact C-N 3.28Å; A342-I344 HydrophobicContact CB-CD1 4.06Å; A342-I344 PolarHBondContact O-N 2.85Å; I344-W346 VanDerWaalsContact C-N 3.28Å; I344-W346 PolarHBondContact O-N 2.92Å; I344-L347 PolarHBondContact O-N 2.83Å; I344-L352 HydrophobicContact CD1-CD2 3.94Å; I344-L352 HydrophobicContact CG2-CD2 4.11Å; I344-L387 HydrophobicContact CB-CD2 4.46Å; I344-K391 HydrophobicContact CG2-CB 3.82Å; I344-K391 HydrophobicContact CG2-CG 4.39Å
345	R	97.9	Very high	91.5	Very high	21 Å²	21	47.6 Å²	47.6	8%	0.079	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-70.8	-18.5	-178.6	-60.9	170.8	177.3	-68.9	-6.5	114.5	P343 D380 P381 K385 L387 A390 H401	P343-R345 PolarHBondContact O-N 2.81Å; R345-D380 IonicContact NE-OD2 2.73Å; R345-P381 HydrophobicContact CB-CB 4.44Å; R345-P381 VanDerWaalsContact CD-O 3.24Å; R345-P381 WeakPolarHBondContact CD-O 3.36Å; R345-P381 PolarHBondContact NH1-O 2.8Å; R345-K385 PolarHBondContact NH1-O 2.73Å; R345-K385 PolarHBondContact NH2-O 2.77Å; R345-L387 HydrophobicContact CG-CD2 4.06Å; R345-A390 HydrophobicContact CG-CB 4.36Å; R345-H401 PolarHBondContact O-CE1 3.34Å
346	W	98.4	Very high	91.7	Very high	13 Å²	13	45.8 Å²	45.8	5%	0.049	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-101.9	-10.6	179.7	-66.7	-100.9	0	0	0	112.7	A308 P343 I344 S365 V368 E372 P381	A308-W346 HydrophobicContact CB-CD2 4.26Å; A308-W346 HydrophobicContact CB-CG 4.31Å; A308-W346 HydrophobicContact CB-CZ2 4.29Å; P343-W346 HydrophobicContact CB-CB 4.41Å; P343-W346 HydrophobicContact CB-CE3 3.92Å; P343-W346 PolarHBondContact O-N 2.82Å; I344-W346 VanDerWaalsContact C-N 3.28Å; I344-W346 PolarHBondContact O-N 2.92Å; W346-S365 WeakPolarHBondContact O-CA 3.16Å; W346-S365 PolarHBondContact O-OG 2.82Å; W346-V368 HydrophobicContact CG-CB 4.45Å; W346-V368 HydrophobicContact CG-CG1 3.98Å; W346-E372 WeakPolarHBondContact CZ2-OE1 3.37Å; W346-E372 VanDerWaalsContact NE1-CD 3.27Å; W346-E372 PolarHBondContact NE1-OE2 2.86Å; W346-P381 HydrophobicContact CH2-CG 4.5Å; W346-P381 VanDerWaalsContact CZ2-CD 3.5Å; W346-P381 HydrophobicContact CZ2-CG 3.83Å
347	L	97.7	Very high	92.2	Very high	3 Å²	3	44.7 Å²	44.7	2%	0.016	22%	0.218	C	C	.	.	S	Bend	trans	-81.1	142.3	-175.9	-69.5	-165.5	0	0	0	113.3	A342 P343 I344 L352 F357 W364	A342-L347 HydrophobicContact CB-CD1 3.92Å; P343-L347 HydrophobicContact CG-CD2 3.99Å; P343-L347 HydrophobicContact CG-CG 4.3Å; P343-L347 PolarHBondContact O-N 2.93Å; I344-L347 PolarHBondContact O-N 2.83Å; L347-L352 HydrophobicContact CB-CD1 4.35Å; L347-L352 HydrophobicContact CB-CD2 3.94Å; L347-L352 HydrophobicContact CB-CG 3.85Å; L347-L352 HydrophobicContact CD1-CD2 4.01Å; L347-F357 HydrophobicContact CD1-CE1 4.39Å; L347-F357 HydrophobicContact CD1-CZ 4.35Å; L347-F357 HydrophobicContact CD2-CE1 3.86Å; L347-W364 PolarHBondContact O-NE1 2.92Å
348	A	97.9	Very high	93	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.182	C	C	.	.			trans	-66.3	153.7	173.5	0	0	0	0	0	112.4	E350 S351 L352 T361 W364	A348-E350 VanDerWaalsContact C-N 3.26Å; A348-E350 VanDerWaalsContact CB-CD 3.45Å; A348-E350 HydrophobicContact CB-CG 4.3Å; A348-E350 WeakPolarHBondContact CB-OE1 3.5Å; A348-E350 WeakPolarHBondContact CB-OE2 3.44Å; A348-E350 PolarHBondContact O-N 3.35Å; A348-S351 PolarHBondContact O-N 3.19Å; A348-S351 VanDerWaalsContact O-N 3.12Å; A348-L352 PolarHBondContact O-N 2.8Å; A348-L352 VanDerWaalsContact O-N 3.09Å; A348-T361 HydrophobicContact CB-CG2 4.17Å; A348-W364 HydrophobicContact CB-CB 3.76Å; A348-W364 HydrophobicContact CB-CD2 4.07Å; A348-W364 HydrophobicContact CB-CG 3.72Å
349	P	97.5	Very high	94	Very high	6 Å²	6	35.7 Å²	35.7	4%	0.039	18%	0.178	C	C	.	.	H	α-helix	trans	-54.7	-39.2	179.8	-26.1	34.1	0	0	0	113.4	L352 K353 W364 I394 L395	P349-L352 PolarHBondContact O-N 2.8Å; P349-K353 WeakPolarHBondContact O-CB 3.09Å; P349-K353 VanDerWaalsContact O-CG 3.23Å; P349-K353 WeakPolarHBondContact O-CG 3.23Å; P349-K353 PolarHBondContact O-N 2.76Å; P349-W364 HydrophobicContact CG-CE3 4.47Å; P349-W364 HydrophobicContact CG-CH2 3.62Å; P349-W364 HydrophobicContact CG-CZ2 4.09Å; P349-W364 HydrophobicContact CG-CZ3 3.84Å; P349-I394 HydrophobicContact CG-CG2 3.97Å; P349-L395 HydrophobicContact CB-CD2 4.4Å
350	E	96.6	Very high	94.8	Very high	21 Å²	21	35.8 Å²	35.8	10%	0.098	18%	0.176	C	C	.	.	H	α-helix	trans	-65.5	-43.1	177.7	61.2	-83.2	-162.1	0	0	112.4	A348 L352 K353 S354 M356 T361 P423 R426	A348-E350 VanDerWaalsContact C-N 3.26Å; A348-E350 VanDerWaalsContact CB-CD 3.45Å; A348-E350 HydrophobicContact CB-CG 4.3Å; A348-E350 WeakPolarHBondContact CB-OE1 3.5Å; A348-E350 WeakPolarHBondContact CB-OE2 3.44Å; A348-E350 PolarHBondContact O-N 3.35Å; E350-L352 VanDerWaalsContact C-N 3.28Å; E350-L352 PolarHBondContact O-N 3.18Å; E350-K353 PolarHBondContact O-N 3.41Å; E350-S354 PolarHBondContact O-N 2.97Å; E350-S354 PolarHBondContact O-OG 2.88Å; E350-M356 HydrophobicContact CB-CE 3.96Å; E350-M356 HydrophobicContact CG-CE 3.7Å; E350-T361 HydrophobicContact CG-CG2 3.87Å; E350-P423 HydrophobicContact CG-CG 4.38Å; E350-R426 IonicContact OE1-CZ 2.68Å; E350-R426 IonicContact OE1-NH1 2.69Å; E350-R426 PolarHBondContact OE1-NH1 2.87Å; E350-R426 IonicContact OE1-NH2 3.62Å; E350-R426 PolarHBondContact OE1-NH2 3.45Å; E350-R426 IonicContact OE2-NH2 3.49Å; E350-R426 PolarHBondContact OE2-NH2 2.95Å
351	S	96.9	Very high	95.7	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-62	-36.5	173.8	-52.6	0	0	0	0	112.1	A348 G355 M356 T361	A348-S351 PolarHBondContact O-N 3.19Å; A348-S351 VanDerWaalsContact O-N 3.12Å; S351-G355 VanDerWaalsContact O-CA 3.3Å; S351-G355 WeakPolarHBondContact O-CA 3.43Å; S351-G355 PolarHBondContact O-N 2.83Å; S351-G355 VanDerWaalsContact O-N 3.09Å; S351-M356 VanDerWaalsContact CA-O 3.25Å; S351-M356 WeakPolarHBondContact CA-O 3.33Å; S351-M356 VanDerWaalsContact CB-O 3.31Å; S351-M356 WeakPolarHBondContact CB-O 3.37Å; S351-M356 PolarHBondContact OG-O 3.45Å; S351-T361 VanDerWaalsContact OG-CG2 3.26Å; S351-T361 WeakPolarHBondContact OG-CG2 3.45Å
352	L	96.1	Very high	96.5	Very high	8 Å²	8	24.7 Å²	24.7	4%	0.042	13%	0.126	C	C	.	.	H	α-helix	trans	-74.5	-24.3	177.4	-69.7	172.3	0	0	0	114.1	I344 L347 A348 P349 E350 K391 I394 L395	I344-L352 HydrophobicContact CD1-CD2 3.94Å; I344-L352 HydrophobicContact CG2-CD2 4.11Å; L347-L352 HydrophobicContact CB-CD1 4.35Å; L347-L352 HydrophobicContact CB-CD2 3.94Å; L347-L352 HydrophobicContact CB-CG 3.85Å; L347-L352 HydrophobicContact CD1-CD2 4.01Å; A348-L352 PolarHBondContact O-N 2.8Å; A348-L352 VanDerWaalsContact O-N 3.09Å; P349-L352 PolarHBondContact O-N 2.8Å; E350-L352 VanDerWaalsContact C-N 3.28Å; E350-L352 PolarHBondContact O-N 3.18Å; L352-K391 HydrophobicContact CD1-CG 4.37Å; L352-K391 HydrophobicContact CD2-CD 4.37Å; L352-K391 HydrophobicContact CD2-CG 4.31Å; L352-K391 PolarHBondContact O-NZ 3.04Å; L352-I394 HydrophobicContact CD1-CB 4.04Å; L352-I394 HydrophobicContact CD1-CD1 4.23Å; L352-I394 HydrophobicContact CD1-CG2 3.58Å; L352-L395 HydrophobicContact CB-CD2 4.02Å
353	K	94.7	Very high	97	Very high	148 Å²	148	23.8 Å²	23.8	64%	0.643	12%	0.119	S	C	*	.	H	α-helix	trans	-87.7	-52.9	178.2	-74.6	171.8	-174.8	-179.9	0	112.7	P349 E350 L395	P349-K353 WeakPolarHBondContact O-CB 3.09Å; P349-K353 VanDerWaalsContact O-CG 3.23Å; P349-K353 WeakPolarHBondContact O-CG 3.23Å; P349-K353 PolarHBondContact O-N 2.76Å; E350-K353 PolarHBondContact O-N 3.41Å; K353-L395 HydrophobicContact CD-CD2 4.13Å; K353-L395 HydrophobicContact CG-CD2 3.55Å
354	S	93.6	Very high	97.2	Very high	62 Å²	62	23.1 Å²	23.1	43%	0.434	11%	0.114	S	C	.	.	H	α-helix	trans	-113.3	-14	-169.1	61.5	0	0	0	0	114.4	E350 M356	E350-S354 PolarHBondContact O-N 2.97Å; E350-S354 PolarHBondContact O-OG 2.88Å; S354-M356 VanDerWaalsContact C-N 3.29Å; S354-M356 VanDerWaalsContact OG-CB 3.26Å; S354-M356 WeakPolarHBondContact OG-CB 3.38Å; S354-M356 PolarHBondContact OG-N 2.86Å
355	G	94.4	Very high	97.3	Very high	3 Å²	3	21.4 Å²	21.4	3%	0.031	11%	0.105	C	C	.	.			trans	76.4	16.2	-170.2	0	0	0	0	0	113.6	T335 T336 S351 F357	T335-G355 CarbonylContact C-O 3.56Å; T335-G355 WeakPolarHBondContact CA-O 3.34Å; T336-G355 PolarHBondContact N-O 2.86Å; T336-G355 WeakPolarHBondContact O-CA 3.17Å; S351-G355 VanDerWaalsContact O-CA 3.3Å; S351-G355 WeakPolarHBondContact O-CA 3.43Å; S351-G355 PolarHBondContact O-N 2.83Å; S351-G355 VanDerWaalsContact O-N 3.09Å; G355-F357 WeakPolarHBondContact O-CD2 3.33Å; G355-F357 VanDerWaalsContact O-CE2 3.3Å; G355-F357 WeakPolarHBondContact O-CE2 3.45Å
356	M	96.5	Very high	97.3	Very high	36 Å²	36	20.4 Å²	20.4	18%	0.177	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	136.6	175.8	-171.3	179.2	86.2	0	0	111.3	E333 E350 S351 S354	E333-M356 VanDerWaalsContact CD-SD 3.53Å; E333-M356 HydrophobicContact CG-CG 3.78Å; E333-M356 HydrophobicContact CG-SD 4.38Å; E350-M356 HydrophobicContact CB-CE 3.96Å; E350-M356 HydrophobicContact CG-CE 3.7Å; S351-M356 VanDerWaalsContact CA-O 3.25Å; S351-M356 WeakPolarHBondContact CA-O 3.33Å; S351-M356 VanDerWaalsContact CB-O 3.31Å; S351-M356 WeakPolarHBondContact CB-O 3.37Å; S351-M356 PolarHBondContact OG-O 3.45Å; S354-M356 VanDerWaalsContact C-N 3.29Å; S354-M356 VanDerWaalsContact OG-CB 3.26Å; S354-M356 WeakPolarHBondContact OG-CB 3.38Å; S354-M356 PolarHBondContact OG-N 2.86Å
357	F	97.2	Very high	97.3	Very high	2 Å²	2	19.8 Å²	19.8	1%	0.009	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	133.7	177.1	-65.9	-86.9	0	0	0	109.7	I303 R305 E333 V334 T336 L339 L347 G355	I303-F357 HydrophobicContact CD1-CB 4.47Å; I303-F357 WeakPolarHBondContact CD1-O 3.24Å; I303-F357 HydrophobicContact CG2-CB 4.2Å; R305-F357 HydrophobicContact CB-CD1 4.17Å; R305-F357 HydrophobicContact CB-CE1 4.26Å; R305-F357 HydrophobicContact CG-CB 4.2Å; R305-F357 HydrophobicContact CG-CD1 3.62Å; R305-F357 HydrophobicContact CG-CE1 4.17Å; R305-F357 HydrophobicContact CG-CG 3.99Å; R305-F357 VanDerWaalsContact NE-CG 3.32Å; R305-F357 VanDerWaalsContact NH2-CZ 3.33Å; E333-F357 CarbonylContact C-O 3.56Å; E333-F357 WeakPolarHBondContact CA-O 3.46Å; V334-F357 PolarHBondContact N-O 2.7Å; V334-F357 PolarHBondContact O-N 2.88Å; T336-F357 HydrophobicContact CG2-CD2 3.89Å; T336-F357 HydrophobicContact CG2-CE2 3.74Å; L339-F357 HydrophobicContact CD2-CE2 3.88Å; L339-F357 HydrophobicContact CD2-CZ 3.65Å; L347-F357 HydrophobicContact CD1-CE1 4.39Å; L347-F357 HydrophobicContact CD1-CZ 4.35Å; L347-F357 HydrophobicContact CD2-CE1 3.86Å; G355-F357 WeakPolarHBondContact O-CD2 3.33Å; G355-F357 VanDerWaalsContact O-CE2 3.3Å; G355-F357 WeakPolarHBondContact O-CE2 3.45Å
358	N	97.4	Very high	97.4	Very high	19 Å²	19	19.6 Å²	19.6	10%	0.102	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	-177.8	176.3	63	30.9	0	0	0	109.6	T332 E333 K360 T361 D362	T332-N358 WeakPolarHBondContact O-CB 3.41Å; E333-N358 HydrophobicContact CB-CB 4.14Å; E333-N358 HydrophobicContact CG-CB 4.22Å; E333-N358 PolarHBondContact OE2-ND2 3.48Å; N358-K360 VanDerWaalsContact C-N 3.26Å; N358-K360 PolarHBondContact O-N 3.26Å; N358-K360 WeakPolarHBondContact OD1-CA 3.38Å; N358-K360 WeakPolarHBondContact OD1-CB 3.39Å; N358-K360 PolarHBondContact OD1-N 3.18Å; N358-T361 PolarHBondContact N-OG1 3.1Å; N358-T361 PolarHBondContact O-N 2.82Å; N358-T361 PolarHBondContact O-OG1 2.87Å; N358-T361 PolarHBondContact OD1-N 3.2Å; N358-T361 VanDerWaalsContact OD1-N 3.15Å; N358-D362 PolarHBondContact O-N 2.84Å
359	E	98	Very high	97.4	Very high	53 Å²	53	19.6 Å²	19.6	25%	0.248	10%	0.098	C	C	.	.	H	α-helix	trans	-51.8	-43.3	177.3	-175.5	-175.1	148.1	0	0	112.7	S298 T361 D362 V363 N428 F429	S298-E359 VanDerWaalsContact CB-OE2 3.3Å; S298-E359 WeakPolarHBondContact CB-OE2 3.36Å; S298-E359 PolarHBondContact OG-OE2 2.66Å; E359-T361 PolarHBondContact O-N 3.3Å; E359-D362 WeakPolarHBondContact O-CB 3.47Å; E359-D362 PolarHBondContact O-N 3.47Å; E359-D362 VanDerWaalsContact O-N 3.09Å; E359-V363 HydrophobicContact CG-CG2 4.4Å; E359-V363 WeakPolarHBondContact O-CG2 3.37Å; E359-V363 PolarHBondContact O-N 3.09Å; E359-N428 WeakPolarHBondContact OE1-CA 3.4Å; E359-N428 WeakPolarHBondContact OE1-CB 3.4Å; E359-F429 HydrophobicContact CG-CD2 3.65Å; E359-F429 HydrophobicContact CG-CE2 4.07Å; E359-F429 PolarHBondContact OE1-N 3.12Å
360	K	98.5	Very high	97.5	Very high	48 Å²	48	19.3 Å²	19.3	21%	0.209	10%	0.097	C	C	.	.	H	α-helix	trans	-64.1	-31	-177.6	-58.6	-61.4	-168.5	91.8	0	111.7	N358 V363 W364 P423 N424 R426 L427	N358-K360 VanDerWaalsContact C-N 3.26Å; N358-K360 PolarHBondContact O-N 3.26Å; N358-K360 WeakPolarHBondContact OD1-CA 3.38Å; N358-K360 WeakPolarHBondContact OD1-CB 3.39Å; N358-K360 PolarHBondContact OD1-N 3.18Å; K360-V363 PolarHBondContact O-N 3.42Å; K360-W364 PolarHBondContact O-N 2.86Å; K360-W364 VanDerWaalsContact O-N 3.12Å; K360-P423 HydrophobicContact CB-CB 4.23Å; K360-P423 WeakPolarHBondContact CD-O 3.35Å; K360-P423 WeakPolarHBondContact CG-O 3.49Å; K360-P423 PolarHBondContact NZ-O 3.31Å; K360-N424 PolarHBondContact NZ-O 2.84Å; K360-R426 WeakPolarHBondContact CE-O 3.25Å; K360-R426 PolarHBondContact NZ-O 3.09Å; K360-R426 VanDerWaalsContact O-CD 3.25Å; K360-R426 WeakPolarHBondContact O-CD 3.35Å; K360-R426 PolarHBondContact O-NH1 3.25Å; K360-L427 VanDerWaalsContact CD-O 3.3Å; K360-L427 WeakPolarHBondContact CD-O 3.46Å
361	T	98.4	Very high	97.5	Very high	3 Å²	3	19 Å²	19	2%	0.018	10%	0.096	C	C	.	.	H	α-helix	trans	-69.7	-32.8	174.9	66.3	0	0	0	0	112.8	A348 E350 S351 N358 E359 S365	A348-T361 HydrophobicContact CB-CG2 4.17Å; E350-T361 HydrophobicContact CG-CG2 3.87Å; S351-T361 VanDerWaalsContact OG-CG2 3.26Å; S351-T361 WeakPolarHBondContact OG-CG2 3.45Å; N358-T361 PolarHBondContact N-OG1 3.1Å; N358-T361 PolarHBondContact O-N 2.82Å; N358-T361 PolarHBondContact O-OG1 2.87Å; N358-T361 PolarHBondContact OD1-N 3.2Å; N358-T361 VanDerWaalsContact OD1-N 3.15Å; E359-T361 PolarHBondContact O-N 3.3Å; T361-S365 PolarHBondContact O-N 3.28Å; T361-S365 PolarHBondContact O-OG 3.47Å; T361-S365 VanDerWaalsContact O-OG 3.07Å
362	D	98.7	Very high	97.6	Very high	2 Å²	2	19.1 Å²	19.1	1%	0.011	10%	0.097	C	C	.	.	H	α-helix	trans	-74	-32.9	171	-82.8	-16.2	0	0	0	111.9	M294 I303 H304 R305 N358 E359 W364 S365 Y366 F429	M294-D362 HydrophobicContact CE-CB 3.64Å; I303-D362 WeakPolarHBondContact CA-OD2 3.37Å; I303-D362 WeakPolarHBondContact CG2-OD2 3.42Å; H304-D362 PolarHBondContact N-OD1 3.06Å; H304-D362 PolarHBondContact N-OD2 3.17Å; R305-D362 PolarHBondContact N-OD1 2.92Å; N358-D362 PolarHBondContact O-N 2.84Å; E359-D362 WeakPolarHBondContact O-CB 3.47Å; E359-D362 PolarHBondContact O-N 3.47Å; E359-D362 VanDerWaalsContact O-N 3.09Å; D362-W364 VanDerWaalsContact C-N 3.32Å; D362-W364 PolarHBondContact O-N 3.39Å; D362-S365 CarbonylContact O-C 3.58Å; D362-S365 WeakPolarHBondContact O-CA 3.49Å; D362-S365 WeakPolarHBondContact O-CB 3.34Å; D362-S365 PolarHBondContact O-N 2.87Å; D362-S365 VanDerWaalsContact O-N 3.12Å; D362-Y366 PolarHBondContact O-N 3.11Å; D362-F429 HydrophobicContact CB-CE2 3.79Å; D362-F429 HydrophobicContact CB-CZ 4.05Å
363	V	98.8	Very high	97.7	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-62.3	-40.1	173.3	173	0	0	0	0	111.1	E359 K360 S365 Y366 G367 C418 R426 L427 F429 V432	E359-V363 HydrophobicContact CG-CG2 4.4Å; E359-V363 WeakPolarHBondContact O-CG2 3.37Å; E359-V363 PolarHBondContact O-N 3.09Å; K360-V363 PolarHBondContact O-N 3.42Å; V363-S365 VanDerWaalsContact C-N 3.35Å; V363-Y366 WeakPolarHBondContact O-CB 3.36Å; V363-Y366 PolarHBondContact O-N 2.94Å; V363-G367 PolarHBondContact O-N 2.92Å; V363-C418 HydrophobicContact CG1-CB 3.97Å; V363-C418 WeakPolarHBondContact O-CB 3.39Å; V363-R426 HydrophobicContact CG1-CG 3.95Å; V363-L427 HydrophobicContact CG1-CB 4.44Å; V363-F429 HydrophobicContact CB-CE2 4.49Å; V363-F429 HydrophobicContact CB-CZ 4.26Å; V363-F429 HydrophobicContact CG2-CD1 4.13Å; V363-F429 HydrophobicContact CG2-CD2 3.73Å; V363-F429 HydrophobicContact CG2-CE1 3.93Å; V363-F429 HydrophobicContact CG2-CE2 3.52Å; V363-F429 HydrophobicContact CG2-CG 4.02Å; V363-F429 HydrophobicContact CG2-CZ 3.63Å; V363-V432 HydrophobicContact CG1-CG2 4.18Å
364	W	98.8	Very high	97.7	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-58.4	-47.8	169.6	179.3	-73.3	0	0	0	111.2	L347 A348 P349 K360 D362 Y366 G367 V368 I394 P400 H401 C418 C419	L347-W364 PolarHBondContact O-NE1 2.92Å; A348-W364 HydrophobicContact CB-CB 3.76Å; A348-W364 HydrophobicContact CB-CD2 4.07Å; A348-W364 HydrophobicContact CB-CG 3.72Å; P349-W364 HydrophobicContact CG-CE3 4.47Å; P349-W364 HydrophobicContact CG-CH2 3.62Å; P349-W364 HydrophobicContact CG-CZ2 4.09Å; P349-W364 HydrophobicContact CG-CZ3 3.84Å; K360-W364 PolarHBondContact O-N 2.86Å; K360-W364 VanDerWaalsContact O-N 3.12Å; D362-W364 VanDerWaalsContact C-N 3.32Å; D362-W364 PolarHBondContact O-N 3.39Å; W364-Y366 PolarHBondContact O-N 3.31Å; W364-G367 WeakPolarHBondContact O-CA 3.39Å; W364-G367 PolarHBondContact O-N 3.47Å; W364-V368 PolarHBondContact O-N 2.83Å; W364-I394 HydrophobicContact CZ2-CG2 3.85Å; W364-P400 HydrophobicContact CH2-CG 3.67Å; W364-P400 HydrophobicContact CZ2-CG 3.79Å; W364-H401 AromaticContact CE2-CD2 3.77Å; W364-H401 AromaticContact CE2-NE2 3.78Å; W364-H401 AromaticContact CZ2-CD2 3.43Å; W364-H401 VanDerWaalsContact CZ2-CD2 3.43Å; W364-H401 WeakPolarHBondContact CZ2-CD2 3.41Å; W364-H401 AromaticContact CZ2-NE2 3.56Å; W364-H401 AromaticContact NE1-CD2 3.86Å; W364-H401 AromaticContact NE1-NE2 3.52Å; W364-C418 WeakPolarHBondContact CA-O 3.07Å; W364-C419 HydrophobicContact CE3-CB 4.26Å; W364-C419 HydrophobicContact CZ3-CB 4.28Å; W364-C419 WeakPolarHBondContact CZ3-O 3.47Å
365	S	98.7	Very high	97.8	Very high	1 Å²	1	11 Å²	11	1%	0.007	6%	0.061	C	C	.	.	H	α-helix	trans	-58.9	-35.3	177.4	-53.6	0	0	0	0	112	W346 T361 D362 V363 V368 F369	W346-S365 WeakPolarHBondContact O-CA 3.16Å; W346-S365 PolarHBondContact O-OG 2.82Å; T361-S365 PolarHBondContact O-N 3.28Å; T361-S365 PolarHBondContact O-OG 3.47Å; T361-S365 VanDerWaalsContact O-OG 3.07Å; D362-S365 CarbonylContact O-C 3.58Å; D362-S365 WeakPolarHBondContact O-CA 3.49Å; D362-S365 WeakPolarHBondContact O-CB 3.34Å; D362-S365 PolarHBondContact O-N 2.87Å; D362-S365 VanDerWaalsContact O-N 3.12Å; V363-S365 VanDerWaalsContact C-N 3.35Å; S365-V368 PolarHBondContact O-N 2.96Å; S365-F369 WeakPolarHBondContact O-CB 3.38Å; S365-F369 PolarHBondContact O-N 2.87Å
366	Y	98.9	Very high	97.9	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-67	-40.4	172.9	178.5	-93.2	0	0	0	112.1	A287 V290 A291 L307 D362 V363 W364 V368 F369 L370 L414 F429 V432	A287-Y366 PolarHBondContact O-OH 3.34Å; A287-Y366 VanDerWaalsContact O-OH 3.05Å; V290-Y366 HydrophobicContact CB-CE2 4.32Å; V290-Y366 HydrophobicContact CG1-CD2 4.05Å; V290-Y366 HydrophobicContact CG1-CE2 4.09Å; A291-Y366 HydrophobicContact CB-CE2 3.91Å; L307-Y366 HydrophobicContact CD2-CD2 4.16Å; L307-Y366 HydrophobicContact CD2-CG 4.45Å; D362-Y366 PolarHBondContact O-N 3.11Å; V363-Y366 WeakPolarHBondContact O-CB 3.36Å; V363-Y366 PolarHBondContact O-N 2.94Å; W364-Y366 PolarHBondContact O-N 3.31Å; Y366-V368 VanDerWaalsContact C-N 3.35Å; Y366-V368 PolarHBondContact O-N 3.29Å; Y366-F369 AromaticContact CD2-CD1 3.92Å; Y366-F369 HydrophobicContact CD2-CD1 3.92Å; Y366-F369 HydrophobicContact CD2-CE1 4.45Å; Y366-F369 AromaticContact CE2-CD1 3.99Å; Y366-F369 HydrophobicContact CE2-CD1 3.99Å; Y366-F369 HydrophobicContact CE2-CE1 4.14Å; Y366-F369 WeakPolarHBondContact O-CB 3.32Å; Y366-F369 PolarHBondContact O-N 3.22Å; Y366-L370 HydrophobicContact CD1-CD1 4.26Å; Y366-L370 HydrophobicContact CD1-CG 4.26Å; Y366-L370 HydrophobicContact CE1-CD1 3.66Å; Y366-L370 HydrophobicContact CE1-CD2 4.03Å; Y366-L370 HydrophobicContact CE1-CG 3.8Å; Y366-L370 HydrophobicContact CE2-CD2 4.44Å; Y366-L370 WeakPolarHBondContact O-CG 3.47Å; Y366-L370 PolarHBondContact O-N 2.83Å; Y366-L414 HydrophobicContact CE1-CD2 4.17Å; Y366-F429 HydrophobicContact CD2-CE1 4.34Å; Y366-F429 AromaticContact CG-CE1 3.97Å; Y366-F429 HydrophobicContact CG-CE1 3.97Å; Y366-V432 HydrophobicContact CD1-CG1 3.67Å; Y366-V432 HydrophobicContact CE1-CG1 3.26Å
367	G	98.6	Very high	97.9	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-58.4	-44.3	171.1	0	0	0	0	0	112.4	V363 W364 L370 T371	V363-G367 PolarHBondContact O-N 2.92Å; W364-G367 WeakPolarHBondContact O-CA 3.39Å; W364-G367 PolarHBondContact O-N 3.47Å; G367-L370 WeakPolarHBondContact O-CB 3.46Å; G367-L370 PolarHBondContact O-N 2.89Å; G367-T371 PolarHBondContact O-N 3.47Å
368	V	98.6	Very high	97.8	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-63.9	-42.4	173.5	-175.8	0	0	0	0	111.5	W346 W364 S365 Y366 L370 T371 E372 P381 H401	W346-V368 HydrophobicContact CG-CB 4.45Å; W346-V368 HydrophobicContact CG-CG1 3.98Å; W364-V368 PolarHBondContact O-N 2.83Å; S365-V368 PolarHBondContact O-N 2.96Å; Y366-V368 VanDerWaalsContact C-N 3.35Å; Y366-V368 PolarHBondContact O-N 3.29Å; V368-L370 VanDerWaalsContact C-N 3.3Å; V368-L370 PolarHBondContact O-N 3.16Å; V368-T371 WeakPolarHBondContact O-CA 3.33Å; V368-T371 WeakPolarHBondContact O-CB 3.33Å; V368-T371 PolarHBondContact O-N 3.06Å; V368-T371 PolarHBondContact O-OG1 3.1Å; V368-E372 PolarHBondContact O-N 2.86Å; V368-E372 VanDerWaalsContact O-N 3.14Å; V368-P381 HydrophobicContact CG1-CB 3.69Å; V368-P381 HydrophobicContact CG1-CG 3.59Å; V368-H401 VanDerWaalsContact CG2-CE1 3.49Å; V368-H401 WeakPolarHBondContact CG2-CE1 3.4Å
369	F	98.7	Very high	97.6	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-58.4	-37.9	174.3	162.2	-102.3	0	0	0	112.7	L268 V290 A309 S365 Y366 T371 E372 L373	L268-F369 HydrophobicContact CD2-CE2 3.95Å; L268-F369 HydrophobicContact CD2-CZ 4.01Å; V290-F369 HydrophobicContact CB-CE1 3.74Å; V290-F369 HydrophobicContact CB-CZ 4.01Å; V290-F369 HydrophobicContact CG1-CD1 4.16Å; V290-F369 HydrophobicContact CG1-CE1 3.76Å; V290-F369 HydrophobicContact CG1-CZ 4.17Å; V290-F369 HydrophobicContact CG2-CE1 3.93Å; V290-F369 HydrophobicContact CG2-CZ 3.64Å; A309-F369 HydrophobicContact CB-CD2 4.06Å; A309-F369 HydrophobicContact CB-CE2 4.06Å; S365-F369 WeakPolarHBondContact O-CB 3.38Å; S365-F369 PolarHBondContact O-N 2.87Å; Y366-F369 AromaticContact CD2-CD1 3.92Å; Y366-F369 HydrophobicContact CD2-CD1 3.92Å; Y366-F369 HydrophobicContact CD2-CE1 4.45Å; Y366-F369 AromaticContact CE2-CD1 3.99Å; Y366-F369 HydrophobicContact CE2-CD1 3.99Å; Y366-F369 HydrophobicContact CE2-CE1 4.14Å; Y366-F369 WeakPolarHBondContact O-CB 3.32Å; Y366-F369 PolarHBondContact O-N 3.22Å; F369-T371 VanDerWaalsContact C-N 3.28Å; F369-T371 PolarHBondContact O-N 3.04Å; F369-E372 WeakPolarHBondContact O-CB 3.44Å; F369-E372 PolarHBondContact O-N 3.31Å; F369-E372 VanDerWaalsContact O-N 3.13Å; F369-L373 HydrophobicContact CD1-CD1 4.46Å; F369-L373 HydrophobicContact CE1-CD1 3.71Å; F369-L373 HydrophobicContact CE1-CD2 4.47Å; F369-L373 HydrophobicContact CE1-CG 4.07Å; F369-L373 HydrophobicContact CE2-CD1 4.47Å; F369-L373 HydrophobicContact CE2-CD2 3.76Å; F369-L373 HydrophobicContact CE2-CG 4.06Å; F369-L373 HydrophobicContact CZ-CD1 3.72Å; F369-L373 HydrophobicContact CZ-CD2 3.71Å; F369-L373 HydrophobicContact CZ-CG 3.81Å; F369-L373 WeakPolarHBondContact O-CG 3.48Å; F369-L373 PolarHBondContact O-N 2.98Å
370	L	98.6	Very high	97.5	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-62.3	-34.9	172.6	-67.8	-175.9	0	0	0	112.3	A287 Y366 G367 V368 L373 M374 L411 L414 I415	A287-L370 HydrophobicContact CB-CD2 3.66Å; Y366-L370 HydrophobicContact CD1-CD1 4.26Å; Y366-L370 HydrophobicContact CD1-CG 4.26Å; Y366-L370 HydrophobicContact CE1-CD1 3.66Å; Y366-L370 HydrophobicContact CE1-CD2 4.03Å; Y366-L370 HydrophobicContact CE1-CG 3.8Å; Y366-L370 HydrophobicContact CE2-CD2 4.44Å; Y366-L370 WeakPolarHBondContact O-CG 3.47Å; Y366-L370 PolarHBondContact O-N 2.83Å; G367-L370 WeakPolarHBondContact O-CB 3.46Å; G367-L370 PolarHBondContact O-N 2.89Å; V368-L370 VanDerWaalsContact C-N 3.3Å; V368-L370 PolarHBondContact O-N 3.16Å; L370-L373 HydrophobicContact CD2-CD1 4.12Å; L370-L373 WeakPolarHBondContact O-CB 3.25Å; L370-L373 PolarHBondContact O-N 2.75Å; L370-M374 WeakPolarHBondContact O-CG 3.44Å; L370-M374 PolarHBondContact O-N 2.6Å; L370-L411 HydrophobicContact CD1-CD2 4.43Å; L370-L411 HydrophobicContact CD2-CD1 4.31Å; L370-L411 HydrophobicContact CD2-CD2 4.11Å; L370-L414 HydrophobicContact CD1-CB 4.03Å; L370-L414 HydrophobicContact CD1-CD2 3.82Å; L370-L414 HydrophobicContact CD1-CG 3.78Å; L370-I415 HydrophobicContact CB-CD1 3.89Å; L370-I415 HydrophobicContact CB-CG1 3.48Å; L370-I415 VanDerWaalsContact CB-CG1 3.48Å; L370-I415 HydrophobicContact CD1-CG1 3.99Å; L370-I415 HydrophobicContact CG-CG1 4.4Å
371	T	98.1	Very high	97.4	Very high	13 Å²	13	20.4 Å²	20.4	8%	0.08	10%	0.103	C	C	.	.	H	α-helix	trans	-64.8	-38.8	172.5	74.8	0	0	0	0	112	G367 V368 F369 L373 M374 A375 H401 M403 I415	G367-T371 PolarHBondContact O-N 3.47Å; V368-T371 WeakPolarHBondContact O-CA 3.33Å; V368-T371 WeakPolarHBondContact O-CB 3.33Å; V368-T371 PolarHBondContact O-N 3.06Å; V368-T371 PolarHBondContact O-OG1 3.1Å; F369-T371 VanDerWaalsContact C-N 3.28Å; F369-T371 PolarHBondContact O-N 3.04Å; T371-L373 VanDerWaalsContact C-N 3.33Å; T371-L373 PolarHBondContact O-N 2.92Å; T371-M374 PolarHBondContact O-N 2.91Å; T371-A375 WeakPolarHBondContact O-CB 3.46Å; T371-A375 PolarHBondContact O-N 2.85Å; T371-H401 HydrophobicContact CG2-CB 4.25Å; T371-M403 HydrophobicContact CG2-CG 4.12Å; T371-M403 HydrophobicContact CG2-SD 3.85Å; T371-I415 HydrophobicContact CG2-CD1 3.98Å; T371-I415 HydrophobicContact CG2-CG1 4.28Å; T371-I415 HydrophobicContact CG2-CG2 3.98Å
372	E	98.1	Very high	97.3	Very high	4 Å²	4	21.6 Å²	21.6	2%	0.019	11%	0.11	C	C	.	.	H	α-helix	trans	-60.3	-42.7	173.3	-65.1	-175	96.1	0	0	111.2	A308 A309 W346 V368 F369 R376 C377 P381	A308-E372 WeakPolarHBondContact CA-OE2 3.49Å; A309-E372 HydrophobicContact CB-CB 4.13Å; A309-E372 PolarHBondContact N-OE2 3.19Å; W346-E372 WeakPolarHBondContact CZ2-OE1 3.37Å; W346-E372 VanDerWaalsContact NE1-CD 3.27Å; W346-E372 PolarHBondContact NE1-OE2 2.86Å; V368-E372 PolarHBondContact O-N 2.86Å; V368-E372 VanDerWaalsContact O-N 3.14Å; F369-E372 WeakPolarHBondContact O-CB 3.44Å; F369-E372 PolarHBondContact O-N 3.31Å; F369-E372 VanDerWaalsContact O-N 3.13Å; E372-R376 PolarHBondContact O-N 3.06Å; E372-R376 VanDerWaalsContact O-N 3.14Å; E372-C377 PolarHBondContact O-N 2.69Å; E372-C377 PolarHBondContact O-SG 2.66Å; E372-P381 HydrophobicContact CG-CG 3.74Å
373	L	97.9	Very high	97.1	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-62.1	-50	176.2	-66.4	-168.1	0	0	0	111.8	L268 L272 I283 A287 F369 L370 T371 A375 R376	L268-L373 HydrophobicContact CD2-CD2 4.04Å; L268-L373 HydrophobicContact CG-CD2 4.48Å; L272-L373 HydrophobicContact CD1-CD2 3.6Å; I283-L373 HydrophobicContact CG2-CB 3.89Å; I283-L373 HydrophobicContact CG2-CD1 4.4Å; A287-L373 HydrophobicContact CB-CD1 3.74Å; F369-L373 HydrophobicContact CD1-CD1 4.46Å; F369-L373 HydrophobicContact CE1-CD1 3.71Å; F369-L373 HydrophobicContact CE1-CD2 4.47Å; F369-L373 HydrophobicContact CE1-CG 4.07Å; F369-L373 HydrophobicContact CE2-CD1 4.47Å; F369-L373 HydrophobicContact CE2-CD2 3.76Å; F369-L373 HydrophobicContact CE2-CG 4.06Å; F369-L373 HydrophobicContact CZ-CD1 3.72Å; F369-L373 HydrophobicContact CZ-CD2 3.71Å; F369-L373 HydrophobicContact CZ-CG 3.81Å; F369-L373 WeakPolarHBondContact O-CG 3.48Å; F369-L373 PolarHBondContact O-N 2.98Å; L370-L373 HydrophobicContact CD2-CD1 4.12Å; L370-L373 WeakPolarHBondContact O-CB 3.25Å; L370-L373 PolarHBondContact O-N 2.75Å; T371-L373 VanDerWaalsContact C-N 3.33Å; T371-L373 PolarHBondContact O-N 2.92Å; L373-A375 VanDerWaalsContact C-N 3.33Å; L373-A375 PolarHBondContact O-N 2.62Å; L373-R376 PolarHBondContact O-N 3.17Å; L373-R376 VanDerWaalsContact O-N 3.08Å; L373-R376 PolarHBondContact O-NH1 2.85Å
374	M	96.3	Very high	96.9	Very high	9 Å²	9	33.3 Å²	33.3	4%	0.044	17%	0.168	C	C	.	.	H	α-helix	trans	-62.5	-38.4	-179	-70.4	179.3	88.1	0	0	112.6	L370 T371 R376 M403 D407 P408 L411 M412 I415	L370-M374 WeakPolarHBondContact O-CG 3.44Å; L370-M374 PolarHBondContact O-N 2.6Å; T371-M374 PolarHBondContact O-N 2.91Å; M374-R376 VanDerWaalsContact C-N 3.27Å; M374-R376 PolarHBondContact O-N 3.03Å; M374-R376 PolarHBondContact O-NH1 2.84Å; M374-R376 VanDerWaalsContact O-NH1 3.12Å; M374-M403 HydrophobicContact CB-CE 4.04Å; M374-M403 HydrophobicContact CB-SD 3.87Å; M374-M403 HydrophobicContact CG-SD 4.48Å; M374-M403 HydrophobicContact SD-SD 3.86Å; M374-D407 WeakPolarHBondContact CA-O 3.46Å; M374-P408 WeakPolarHBondContact CE-O 3.36Å; M374-L411 HydrophobicContact CE-CB 4.33Å; M374-L411 HydrophobicContact CG-CB 4.1Å; M374-L411 HydrophobicContact CG-CD1 3.83Å; M374-L411 HydrophobicContact SD-CB 3.72Å; M374-M412 HydrophobicContact CE-CE 3.83Å; M374-M412 HydrophobicContact CE-CG 3.52Å; M374-M412 HydrophobicContact SD-CG 4.41Å; M374-I415 HydrophobicContact CG-CD1 4.46Å; M374-I415 HydrophobicContact SD-CD1 3.22Å; M374-I415 WeakPolarHBondContact SD-CD1 2.9Å
375	A	95.2	Very high	96.8	Very high	39 Å²	39	36.2 Å²	36.2	32%	0.322	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	6.2	176.2	0	0	0	0	0	113.9	T371 L373 C377 E378 M403	T371-A375 WeakPolarHBondContact O-CB 3.46Å; T371-A375 PolarHBondContact O-N 2.85Å; L373-A375 VanDerWaalsContact C-N 3.33Å; L373-A375 PolarHBondContact O-N 2.62Å; A375-C377 PolarHBondContact O-N 2.97Å; A375-E378 WeakPolarHBondContact O-CB 3.43Å; A375-E378 PolarHBondContact O-N 2.82Å; A375-M403 HydrophobicContact CB-CE 4.33Å
376	R	95.9	Very high	96.8	Very high	57 Å²	57	38.7 Å²	38.7	22%	0.215	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.2	29.9	-174.4	-54.5	-63.9	-180	-78.7	-13.1	113.5	L272 E372 L373 M374 E378 D407	L272-R376 CarbonylContact C-O 3.5Å; E372-R376 PolarHBondContact O-N 3.06Å; E372-R376 VanDerWaalsContact O-N 3.14Å; L373-R376 PolarHBondContact O-N 3.17Å; L373-R376 VanDerWaalsContact O-N 3.08Å; L373-R376 PolarHBondContact O-NH1 2.85Å; M374-R376 VanDerWaalsContact C-N 3.27Å; M374-R376 PolarHBondContact O-N 3.03Å; M374-R376 PolarHBondContact O-NH1 2.84Å; M374-R376 VanDerWaalsContact O-NH1 3.12Å; R376-E378 PolarHBondContact O-N 2.95Å; R376-D407 PolarHBondContact NH1-O 3.37Å; R376-D407 PolarHBondContact NH2-O 3.13Å; R376-D407 VanDerWaalsContact NH2-O 3.15Å; R376-D407 IonicContact NH2-OD2 2.69Å
377	C	96.2	Very high	96.6	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.3	26.7	-173.4	-58.2	0	0	0	0	115	R269 L272 Q273 E372 A375 H379	R269-C377 HydrophobicContact CB-CB 4.47Å; R269-C377 HydrophobicContact CG-CB 3.86Å; L272-C377 HydrophobicContact CB-CB 4.48Å; Q273-C377 HydrophobicContact CG-CB 3.92Å; Q273-C377 WeakPolarHBondContact CG-O 3.26Å; Q273-C377 PolarHBondContact NE2-O 3.32Å; E372-C377 PolarHBondContact O-N 2.69Å; E372-C377 PolarHBondContact O-SG 2.66Å; A375-C377 PolarHBondContact O-N 2.97Å; C377-H379 PolarHBondContact O-N 2.87Å
378	E	94.5	Very high	96.5	Very high	145 Å²	145	51.8 Å²	51.8	68%	0.678	26%	0.26	S	S	*	.	S	Bend	trans	-51.4	-42.8	178.4	-177.8	174.8	-161.5	0	0	111.4	A375 R376	A375-E378 WeakPolarHBondContact O-CB 3.43Å; A375-E378 PolarHBondContact O-N 2.82Å; R376-E378 PolarHBondContact O-N 2.95Å
379	H	94.5	Very high	96.4	Very high	88 Å²	88	55.8 Å²	55.8	41%	0.407	28%	0.281	S	S	.	.	S	Bend	trans	-133	165.4	173.5	-59.3	-29.9	0	0	0	111.5	C377 Y383	C377-H379 PolarHBondContact O-N 2.87Å; H379-Y383 HydrophobicContact CB-CD1 4.01Å; H379-Y383 HydrophobicContact CB-CD2 4.37Å; H379-Y383 HydrophobicContact CB-CG 3.75Å; H379-Y383 AromaticContact CD2-CD1 3.24Å; H379-Y383 WeakPolarHBondContact CD2-CD1 3.32Å; H379-Y383 AromaticContact CD2-CE1 3.55Å; H379-Y383 AromaticContact CD2-CG 3.92Å; H379-Y383 AromaticContact CG-CD1 3.67Å; H379-Y383 AromaticContact CG-CG 3.87Å; H379-Y383 AromaticContact NE2-CD1 3.88Å; H379-Y383 AromaticContact NE2-CE1 3.67Å
380	D	95.5	Very high	96.4	Very high	57 Å²	57	55.8 Å²	55.8	31%	0.305	28%	0.281	S	S	.	.			trans	-63.9	149.2	167.7	-78.4	0.1	0	0	0	110.7	R269 R345 L382 Y383	R269-D380 IonicContact CZ-OD1 3.26Å; R269-D380 IonicContact NH1-OD1 2.68Å; R269-D380 PolarHBondContact NH1-OD1 2.95Å; R269-D380 IonicContact NH2-OD1 3.5Å; R269-D380 PolarHBondContact NH2-OD1 2.94Å; R345-D380 IonicContact NE-OD2 2.73Å; D380-L382 PolarHBondContact O-N 2.87Å; D380-Y383 VanDerWaalsContact O-CB 3.25Å; D380-Y383 WeakPolarHBondContact O-CB 3.32Å; D380-Y383 PolarHBondContact O-N 2.89Å
381	P	96.5	Very high	96.3	Very high	10 Å²	10	59.4 Å²	59.4	7%	0.065	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.7	137.6	176	-27.1	34.6	0	0	0	112.9	R345 W346 V368 E372 Y383	R345-P381 HydrophobicContact CB-CB 4.44Å; R345-P381 VanDerWaalsContact CD-O 3.24Å; R345-P381 WeakPolarHBondContact CD-O 3.36Å; R345-P381 PolarHBondContact NH1-O 2.8Å; W346-P381 HydrophobicContact CH2-CG 4.5Å; W346-P381 VanDerWaalsContact CZ2-CD 3.5Å; W346-P381 HydrophobicContact CZ2-CG 3.83Å; V368-P381 HydrophobicContact CG1-CB 3.69Å; V368-P381 HydrophobicContact CG1-CG 3.59Å; E372-P381 HydrophobicContact CG-CG 3.74Å; P381-Y383 PolarHBondContact O-N 2.89Å
382	L	96	Very high	96.3	Very high	29 Å²	29	61.1 Å²	61.1	15%	0.152	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	64.2	17.9	-176.2	-44.1	177.9	0	0	0	115.3	D380 K385 A390 I394 P400	D380-L382 PolarHBondContact O-N 2.87Å; L382-K385 HydrophobicContact CB-CD 4.39Å; L382-K385 WeakPolarHBondContact O-CB 3.18Å; L382-K385 WeakPolarHBondContact O-CG 3.37Å; L382-K385 PolarHBondContact O-N 3.26Å; L382-A390 HydrophobicContact CB-CB 4.39Å; L382-A390 HydrophobicContact CD1-CB 4.14Å; L382-I394 HydrophobicContact CD1-CD1 3.88Å; L382-I394 HydrophobicContact CD1-CG1 3.69Å; L382-P400 WeakPolarHBondContact CD2-O 3.48Å
383	Y	94.6	Very high	96.3	Very high	141 Å²	141	65 Å²	65	55%	0.553	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	141.4	164.1	179.5	-89.2	0	0	0	110.6	H379 D380 P381	H379-Y383 HydrophobicContact CB-CD1 4.01Å; H379-Y383 HydrophobicContact CB-CD2 4.37Å; H379-Y383 HydrophobicContact CB-CG 3.75Å; H379-Y383 AromaticContact CD2-CD1 3.24Å; H379-Y383 WeakPolarHBondContact CD2-CD1 3.32Å; H379-Y383 AromaticContact CD2-CE1 3.55Å; H379-Y383 AromaticContact CD2-CG 3.92Å; H379-Y383 AromaticContact CG-CD1 3.67Å; H379-Y383 AromaticContact CG-CG 3.87Å; H379-Y383 AromaticContact NE2-CD1 3.88Å; H379-Y383 AromaticContact NE2-CE1 3.67Å; D380-Y383 VanDerWaalsContact O-CB 3.25Å; D380-Y383 WeakPolarHBondContact O-CB 3.32Å; D380-Y383 PolarHBondContact O-N 2.89Å; P381-Y383 PolarHBondContact O-N 2.89Å
384	P	95.9	Very high	96.2	Very high	106 Å²	106	65 Å²	65	69%	0.688	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	cis	-90.9	11.9	5.2	36.6	-36.8	0	0	0	115.4	S386	P384-S386 PolarHBondContact O-N 2.63Å
385	K	96.6	Very high	96.3	Very high	62 Å²	62	66.8 Å²	66.8	27%	0.27	34%	0.336	S	S	.	.	S	Bend	trans	-58	138.3	-178.1	-56.6	-179.5	-165.8	-82.2	0	110.7	R345 L382 D389 A390 W393	R345-K385 PolarHBondContact NH1-O 2.73Å; R345-K385 PolarHBondContact NH2-O 2.77Å; L382-K385 HydrophobicContact CB-CD 4.39Å; L382-K385 WeakPolarHBondContact O-CB 3.18Å; L382-K385 WeakPolarHBondContact O-CG 3.37Å; L382-K385 PolarHBondContact O-N 3.26Å; K385-D389 HydrophobicContact CB-CB 4.12Å; K385-A390 HydrophobicContact CB-CB 4.35Å; K385-W393 HydrophobicContact CD-CB 4Å; K385-W393 HydrophobicContact CD-CD2 4.12Å; K385-W393 HydrophobicContact CD-CG 3.87Å; K385-W393 VanDerWaalsContact CE-CD2 3.42Å
386	S	97	Very high	96.4	Very high	53 Å²	53	70.2 Å²	70.2	37%	0.371	35%	0.353	S	S	.	.			trans	-63.8	168.8	173.4	81.3	0	0	0	0	111.1	P384 K388 D389 A390	P384-S386 PolarHBondContact O-N 2.63Å; S386-K388 PolarHBondContact O-N 2.68Å; S386-K388 PolarHBondContact OG-N 3.03Å; S386-D389 VanDerWaalsContact CB-OD2 3.23Å; S386-D389 WeakPolarHBondContact CB-OD2 3.38Å; S386-D389 PolarHBondContact N-OD2 2.88Å; S386-D389 PolarHBondContact O-N 3.09Å; S386-D389 PolarHBondContact OG-N 3.49Å; S386-D389 PolarHBondContact OG-OD2 2.88Å; S386-A390 WeakPolarHBondContact O-CB 3.2Å; S386-A390 PolarHBondContact O-N 2.91Å
387	L	95.3	Very high	96.4	Very high	104 Å²	104	70.9 Å²	70.9	55%	0.545	36%	0.359	S	S	.	.	H	α-helix	trans	-60.9	-32.8	175.7	-73.1	174.8	0	0	0	112.9	I344 R345 K391	I344-L387 HydrophobicContact CB-CD2 4.46Å; R345-L387 HydrophobicContact CG-CD2 4.06Å; L387-K391 WeakPolarHBondContact O-CB 3.21Å; L387-K391 PolarHBondContact O-N 3.3Å
388	K	95.9	Very high	96.2	Very high	171 Å²	171	76.5 Å²	76.5	74%	0.743	39%	0.385	S	S	*	.	H	α-helix	trans	-69	-45.5	176	-175.9	-176	175.4	-171.9	0	110.8	S386 K391 A392	S386-K388 PolarHBondContact O-N 2.68Å; S386-K388 PolarHBondContact OG-N 3.03Å; K388-K391 PolarHBondContact O-N 2.81Å; K388-A392 PolarHBondContact O-N 3.26Å
389	D	97.8	Very high	96.2	Very high	84 Å²	84	76.2 Å²	76.2	45%	0.449	38%	0.378	S	S	.	.	H	α-helix	trans	-74.1	-34.9	-177.4	-48.8	-42.8	0	0	0	111.4	K385 S386 A392 W393	K385-D389 HydrophobicContact CB-CB 4.12Å; S386-D389 VanDerWaalsContact CB-OD2 3.23Å; S386-D389 WeakPolarHBondContact CB-OD2 3.38Å; S386-D389 PolarHBondContact N-OD2 2.88Å; S386-D389 PolarHBondContact O-N 3.09Å; S386-D389 PolarHBondContact OG-N 3.49Å; S386-D389 PolarHBondContact OG-OD2 2.88Å; D389-A392 PolarHBondContact O-N 3.03Å; D389-W393 WeakPolarHBondContact O-CB 3.24Å; D389-W393 PolarHBondContact O-N 2.89Å
390	A	97.5	Very high	96.2	Very high	0 Å²	0	72.4 Å²	72.4	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-63.2	-43.1	171.1	0	0	0	0	0	111.2	R345 L382 K385 S386 W393 I394	R345-A390 HydrophobicContact CG-CB 4.36Å; L382-A390 HydrophobicContact CB-CB 4.39Å; L382-A390 HydrophobicContact CD1-CB 4.14Å; K385-A390 HydrophobicContact CB-CB 4.35Å; S386-A390 WeakPolarHBondContact O-CB 3.2Å; S386-A390 PolarHBondContact O-N 2.91Å; A390-W393 PolarHBondContact O-N 2.87Å; A390-I394 VanDerWaalsContact O-CG1 3.29Å; A390-I394 WeakPolarHBondContact O-CG1 3.25Å; A390-I394 PolarHBondContact O-N 2.89Å
391	K	96.9	Very high	96.2	Very high	76 Å²	76	70 Å²	70	33%	0.33	35%	0.348	S	S	.	.	H	α-helix	trans	-59.6	-48.1	172.5	-177	174.4	-179.4	174.7	0	111.3	I344 L352 L387 K388 I394 L395	I344-K391 HydrophobicContact CG2-CB 3.82Å; I344-K391 HydrophobicContact CG2-CG 4.39Å; L352-K391 HydrophobicContact CD1-CG 4.37Å; L352-K391 HydrophobicContact CD2-CD 4.37Å; L352-K391 HydrophobicContact CD2-CG 4.31Å; L352-K391 PolarHBondContact O-NZ 3.04Å; L387-K391 WeakPolarHBondContact O-CB 3.21Å; L387-K391 PolarHBondContact O-N 3.3Å; K388-K391 PolarHBondContact O-N 2.81Å; K391-I394 PolarHBondContact O-N 3.41Å; K391-L395 HydrophobicContact CG-CD1 3.99Å; K391-L395 WeakPolarHBondContact O-CD1 3.5Å; K391-L395 WeakPolarHBondContact O-CG 3.45Å; K391-L395 PolarHBondContact O-N 3.03Å
392	A	97.8	Very high	96.1	Very high	49 Å²	49	75.2 Å²	75.2	41%	0.405	37%	0.37	S	S	.	.	H	α-helix	trans	-59.5	-47.4	177.7	0	0	0	0	0	111.1	K388 D389 I394 L395 T396	K388-A392 PolarHBondContact O-N 3.26Å; D389-A392 PolarHBondContact O-N 3.03Å; A392-I394 PolarHBondContact O-N 2.93Å; A392-L395 WeakPolarHBondContact O-CA 3.18Å; A392-L395 WeakPolarHBondContact O-CB 3.35Å; A392-L395 PolarHBondContact O-N 2.94Å; A392-T396 PolarHBondContact O-N 2.77Å; A392-T396 PolarHBondContact O-OG1 2.81Å; A392-T396 VanDerWaalsContact O-OG1 3.07Å
393	W	97.6	Very high	95.8	Very high	85 Å²	85	76.1 Å²	76.1	32%	0.322	37%	0.373	S	S	.	.	H	α-helix	trans	-57.4	-48.7	178.6	-166.3	-101.4	0	0	0	112.9	K385 D389 A390 L395 T396 E397	K385-W393 HydrophobicContact CD-CB 4Å; K385-W393 HydrophobicContact CD-CD2 4.12Å; K385-W393 HydrophobicContact CD-CG 3.87Å; K385-W393 VanDerWaalsContact CE-CD2 3.42Å; D389-W393 WeakPolarHBondContact O-CB 3.24Å; D389-W393 PolarHBondContact O-N 2.89Å; A390-W393 PolarHBondContact O-N 2.87Å; W393-L395 PolarHBondContact O-N 3.18Å; W393-T396 PolarHBondContact O-N 2.98Å; W393-E397 HydrophobicContact CD2-CB 3.89Å; W393-E397 HydrophobicContact CD2-CG 4.36Å; W393-E397 HydrophobicContact CE3-CB 4.45Å; W393-E397 HydrophobicContact CG-CB 4.16Å; W393-E397 HydrophobicContact CH2-CG 4.42Å; W393-E397 HydrophobicContact CZ2-CB 4.1Å; W393-E397 HydrophobicContact CZ2-CG 3.69Å; W393-E397 VanDerWaalsContact O-CB 3.31Å; W393-E397 WeakPolarHBondContact O-CB 3.29Å; W393-E397 PolarHBondContact O-N 2.84Å
394	I	97.6	Very high	95.4	Very high	0 Å²	0	76.5 Å²	76.5	0%	0	38%	0.381	C	S	.	.	H	α-helix	trans	-58.4	-35.9	176.1	-68.8	163.8	0	0	0	111	P349 L352 W364 L382 A390 K391 A392 P400 R421	P349-I394 HydrophobicContact CG-CG2 3.97Å; L352-I394 HydrophobicContact CD1-CB 4.04Å; L352-I394 HydrophobicContact CD1-CD1 4.23Å; L352-I394 HydrophobicContact CD1-CG2 3.58Å; W364-I394 HydrophobicContact CZ2-CG2 3.85Å; L382-I394 HydrophobicContact CD1-CD1 3.88Å; L382-I394 HydrophobicContact CD1-CG1 3.69Å; A390-I394 VanDerWaalsContact O-CG1 3.29Å; A390-I394 WeakPolarHBondContact O-CG1 3.25Å; A390-I394 PolarHBondContact O-N 2.89Å; K391-I394 PolarHBondContact O-N 3.41Å; A392-I394 PolarHBondContact O-N 2.93Å; I394-P400 HydrophobicContact CG1-CB 4.48Å; I394-R421 PolarHBondContact O-NH2 3.34Å
395	L	97.2	Very high	94.9	Very high	47 Å²	47	78.7 Å²	78.7	25%	0.246	39%	0.386	C	S	.	.	H	α-helix	trans	-76.6	-29.8	-179.4	-67	170.7	0	0	0	113.9	P349 L352 K353 K391 A392 W393 R421	P349-L395 HydrophobicContact CB-CD2 4.4Å; L352-L395 HydrophobicContact CB-CD2 4.02Å; K353-L395 HydrophobicContact CD-CD2 4.13Å; K353-L395 HydrophobicContact CG-CD2 3.55Å; K391-L395 HydrophobicContact CG-CD1 3.99Å; K391-L395 WeakPolarHBondContact O-CD1 3.5Å; K391-L395 WeakPolarHBondContact O-CG 3.45Å; K391-L395 PolarHBondContact O-N 3.03Å; A392-L395 WeakPolarHBondContact O-CA 3.18Å; A392-L395 WeakPolarHBondContact O-CB 3.35Å; A392-L395 PolarHBondContact O-N 2.94Å; W393-L395 PolarHBondContact O-N 3.18Å; L395-R421 VanDerWaalsContact C-NH2 3.33Å; L395-R421 PolarHBondContact O-NH2 2.66Å
396	T	96.6	Very high	94.4	Very high	110 Å²	110	76 Å²	76	68%	0.675	38%	0.376	S	S	*	.	H	α-helix	trans	-112.8	-39.4	-170.4	61.1	0	0	0	0	116	A392 W393	A392-T396 PolarHBondContact O-N 2.77Å; A392-T396 PolarHBondContact O-OG1 2.81Å; A392-T396 VanDerWaalsContact O-OG1 3.07Å; W393-T396 PolarHBondContact O-N 2.98Å
397	E	96.1	Very high	94.2	Very high	71 Å²	71	75.5 Å²	75.5	33%	0.332	37%	0.369	S	S	.	.	S	Bend	trans	-71.4	142.1	-178.9	178	53.5	-115.2	0	0	109.9	W393 P400 R421	W393-E397 HydrophobicContact CD2-CB 3.89Å; W393-E397 HydrophobicContact CD2-CG 4.36Å; W393-E397 HydrophobicContact CE3-CB 4.45Å; W393-E397 HydrophobicContact CG-CB 4.16Å; W393-E397 HydrophobicContact CH2-CG 4.42Å; W393-E397 HydrophobicContact CZ2-CB 4.1Å; W393-E397 HydrophobicContact CZ2-CG 3.69Å; W393-E397 VanDerWaalsContact O-CB 3.31Å; W393-E397 WeakPolarHBondContact O-CB 3.29Å; W393-E397 PolarHBondContact O-N 2.84Å; E397-P400 HydrophobicContact CB-CB 4.28Å; E397-P400 HydrophobicContact CG-CB 4.45Å; E397-R421 PolarHBondContact O-NH1 2.72Å; E397-R421 PolarHBondContact O-NH2 3.32Å
398	E	93.3	Very high	94.2	Very high	119 Å²	119	70.6 Å²	70.6	56%	0.556	34%	0.343	S	S	*	.	S	Bend	trans	-68.2	-52.6	-173.1	-176.4	62.5	-173.2	0	0	111.2	P400 R421	E398-P400 VanDerWaalsContact O-CD 3.28Å; E398-P400 WeakPolarHBondContact O-CD 3.33Å; E398-R421 VanDerWaalsContact O-CD 3.26Å; E398-R421 WeakPolarHBondContact O-CD 3.48Å; E398-R421 WeakPolarHBondContact O-CG 3.22Å; E398-R421 PolarHBondContact O-NH1 3.43Å; E398-R421 WeakPolarHBondContact OE2-CD 3.43Å; E398-R421 IonicContact OE2-NE 3.81Å
399	R	94.4	Very high	94.1	Very high	138 Å²	138	69 Å²	69	52%	0.521	34%	0.336	S	S	.	.	S	Bend	trans	-117.4	73.8	177	-60.5	-169	-176.3	-174	2.7	111.3	H401 K402 D416	R399-H401 PolarHBondContact O-N 3.43Å; R399-H401 VanDerWaalsContact O-N 3.12Å; R399-K402 HydrophobicContact CB-CB 3.98Å; R399-K402 PolarHBondContact O-N 3.38Å; R399-D416 IonicContact CZ-OD2 3.8Å; R399-D416 IonicContact NH1-OD2 3.65Å; R399-D416 PolarHBondContact NH1-OD2 3.27Å
400	P	94.9	Very high	93.9	Very high	8 Å²	8	68.5 Å²	68.5	5%	0.052	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-25.2	-168	24.1	-33.3	0	0	0	113.9	W364 L382 I394 E397 E398	W364-P400 HydrophobicContact CH2-CG 3.67Å; W364-P400 HydrophobicContact CZ2-CG 3.79Å; L382-P400 WeakPolarHBondContact CD2-O 3.48Å; I394-P400 HydrophobicContact CG1-CB 4.48Å; E397-P400 HydrophobicContact CB-CB 4.28Å; E397-P400 HydrophobicContact CG-CB 4.45Å; E398-P400 VanDerWaalsContact O-CD 3.28Å; E398-P400 WeakPolarHBondContact O-CD 3.33Å
401	H	95.3	Very high	93.8	Very high	7 Å²	7	68.5 Å²	68.5	3%	0.032	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.9	10	-176.7	-62.8	-73.1	0	0	0	114.3	R345 W364 V368 T371 R399 M403 C419	R345-H401 PolarHBondContact O-CE1 3.34Å; W364-H401 AromaticContact CE2-CD2 3.77Å; W364-H401 AromaticContact CE2-NE2 3.78Å; W364-H401 AromaticContact CZ2-CD2 3.43Å; W364-H401 VanDerWaalsContact CZ2-CD2 3.43Å; W364-H401 WeakPolarHBondContact CZ2-CD2 3.41Å; W364-H401 AromaticContact CZ2-NE2 3.56Å; W364-H401 AromaticContact NE1-CD2 3.86Å; W364-H401 AromaticContact NE1-NE2 3.52Å; V368-H401 VanDerWaalsContact CG2-CE1 3.49Å; V368-H401 WeakPolarHBondContact CG2-CE1 3.4Å; T371-H401 HydrophobicContact CG2-CB 4.25Å; R399-H401 PolarHBondContact O-N 3.43Å; R399-H401 VanDerWaalsContact O-N 3.12Å; H401-M403 PolarHBondContact O-N 2.74Å; H401-C419 HydrophobicContact CB-CB 4.4Å
402	K	93.5	Very high	93.8	Very high	120 Å²	120	66.8 Å²	66.8	52%	0.522	33%	0.325	S	S	.	.			trans	-59.8	134	177.5	-172.5	-175.3	179.2	-165.4	0	110.6	R399	R399-K402 HydrophobicContact CB-CB 3.98Å; R399-K402 PolarHBondContact O-N 3.38Å
403	M	90.7	Very high	93.6	Very high	47 Å²	47	69.8 Å²	69.8	23%	0.232	34%	0.338	C	S	.	.			trans	-114.6	136.8	177	-63.8	-170.5	76.5	0	0	111.3	T371 M374 A375 H401 I415	T371-M403 HydrophobicContact CG2-CG 4.12Å; T371-M403 HydrophobicContact CG2-SD 3.85Å; M374-M403 HydrophobicContact CB-CE 4.04Å; M374-M403 HydrophobicContact CB-SD 3.87Å; M374-M403 HydrophobicContact CG-SD 4.48Å; M374-M403 HydrophobicContact SD-SD 3.86Å; A375-M403 HydrophobicContact CB-CE 4.33Å; H401-M403 PolarHBondContact O-N 2.74Å; M403-I415 HydrophobicContact SD-CD1 4.38Å
404	E	86.2	Confident	93.6	Very high	150 Å²	150	65.8 Å²	65.8	70%	0.701	32%	0.323	S	S	*	.	S	Bend	trans	-97.7	-36.1	176.4	-60.2	-174	156.1	0	0	112.6	M412	E404-M412 WeakPolarHBondContact O-CE 3.23Å
405	N	85.8	Confident	93.6	Very high	152 Å²	152	65.8 Å²	65.8	81%	0.813	32%	0.323	S	S	*	.	S	Bend	trans	-118.7	15.7	-169.1	-65.3	-48.9	0	0	0	114.4
406	G	84.7	Confident	93.5	Very high	4 Å²	4	65.6 Å²	65.6	4%	0.041	32%	0.322	C	S	.	.			trans	-72.4	156.2	177.9	0	0	0	0	0	113.4	K409 M412	G406-K409 WeakPolarHBondContact O-CG 3.41Å; G406-M412 WeakPolarHBondContact O-CE 3.39Å
407	D	92.2	Very high	93.5	Very high	44 Å²	44	61.7 Å²	61.7	24%	0.235	30%	0.301	C	S	.	.	S	Bend	trans	-140.7	130.9	175.4	-178	70.1	0	0	0	110.3	K280 M374 R376	K280-D407 WeakPolarHBondContact CD-OD2 3.3Å; K280-D407 VanDerWaalsContact CE-OD1 3.24Å; K280-D407 WeakPolarHBondContact CE-OD1 3.49Å; K280-D407 WeakPolarHBondContact CE-OD2 3.29Å; K280-D407 WeakPolarHBondContact CG-OD2 3.46Å; K280-D407 IonicContact NZ-OD1 2.66Å; K280-D407 PolarHBondContact NZ-OD1 3.27Å; K280-D407 IonicContact NZ-OD2 3.19Å; K280-D407 PolarHBondContact NZ-OD2 2.85Å; M374-D407 WeakPolarHBondContact CA-O 3.46Å; R376-D407 PolarHBondContact NH1-O 3.37Å; R376-D407 PolarHBondContact NH2-O 3.13Å; R376-D407 VanDerWaalsContact NH2-O 3.15Å; R376-D407 IonicContact NH2-OD2 2.69Å
408	P	95.6	Very high	93.6	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	29%	0.286	C	S	.	.	S	Bend	cis	-72	133.3	6.5	-15.6	30.8	0	0	0	113.3	K280 I283 L284 M374 E410 L411	K280-P408 HydrophobicContact CB-CG 3.96Å; K280-P408 HydrophobicContact CG-CG 4.48Å; I283-P408 HydrophobicContact CB-CG 4.19Å; I283-P408 HydrophobicContact CG2-CG 4.26Å; L284-P408 HydrophobicContact CD2-CB 4.06Å; L284-P408 HydrophobicContact CD2-CG 3.99Å; L284-P408 HydrophobicContact CG-CB 4.37Å; L284-P408 HydrophobicContact CG-CG 4.03Å; M374-P408 WeakPolarHBondContact CE-O 3.36Å; P408-E410 VanDerWaalsContact CB-OE2 3.25Å; P408-E410 WeakPolarHBondContact CB-OE2 3.44Å; P408-E410 PolarHBondContact O-N 3.32Å; P408-L411 PolarHBondContact O-N 3.3Å
409	K	94.4	Very high	93.9	Very high	137 Å²	137	53.1 Å²	53.1	60%	0.596	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-26.8	-176.2	-70.1	-176.9	175.9	-174.2	0	113.2	G406 L411 M412	G406-K409 WeakPolarHBondContact O-CG 3.41Å; K409-L411 PolarHBondContact O-N 2.83Å; K409-L411 VanDerWaalsContact O-N 3.14Å; K409-M412 HydrophobicContact CB-SD 4.39Å; K409-M412 HydrophobicContact CG-CE 4.14Å; K409-M412 VanDerWaalsContact O-CB 3.31Å; K409-M412 WeakPolarHBondContact O-CB 3.44Å; K409-M412 VanDerWaalsContact O-CG 3.28Å; K409-M412 WeakPolarHBondContact O-CG 3.37Å; K409-M412 PolarHBondContact O-N 3.17Å
410	E	93.1	Very high	94	Very high	74 Å²	74	49.5 Å²	49.5	35%	0.346	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-27.4	178	-61.7	82.2	174.1	0	0	112.5	P408 M412 I439	P408-E410 VanDerWaalsContact CB-OE2 3.25Å; P408-E410 WeakPolarHBondContact CB-OE2 3.44Å; P408-E410 PolarHBondContact O-N 3.32Å; E410-M412 VanDerWaalsContact C-N 3.31Å; E410-M412 PolarHBondContact O-N 2.79Å; E410-I439 HydrophobicContact CB-CG2 3.61Å; E410-I439 HydrophobicContact CG-CG2 4.37Å
411	L	96.9	Very high	94	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-71.6	-19.9	176.4	-65.5	-179	0	0	0	113.9	I283 L284 A287 L370 M374 P408 K409 V413 L414 I415 I436	I283-L411 HydrophobicContact CG2-CD1 4.4Å; L284-L411 HydrophobicContact CD2-CD1 4.22Å; L284-L411 HydrophobicContact CD2-CD2 3.62Å; L284-L411 HydrophobicContact CD2-CG 3.77Å; A287-L411 HydrophobicContact CB-CD2 4.35Å; L370-L411 HydrophobicContact CD1-CD2 4.43Å; L370-L411 HydrophobicContact CD2-CD1 4.31Å; L370-L411 HydrophobicContact CD2-CD2 4.11Å; M374-L411 HydrophobicContact CE-CB 4.33Å; M374-L411 HydrophobicContact CG-CB 4.1Å; M374-L411 HydrophobicContact CG-CD1 3.83Å; M374-L411 HydrophobicContact SD-CB 3.72Å; P408-L411 PolarHBondContact O-N 3.3Å; K409-L411 PolarHBondContact O-N 2.83Å; K409-L411 VanDerWaalsContact O-N 3.14Å; L411-V413 VanDerWaalsContact C-N 3.33Å; L411-V413 PolarHBondContact O-N 3.34Å; L411-L414 PolarHBondContact O-N 2.86Å; L411-L414 VanDerWaalsContact O-N 3.13Å; L411-I415 HydrophobicContact CB-CD1 4.44Å; L411-I415 WeakPolarHBondContact O-CG1 3.5Å; L411-I415 PolarHBondContact O-N 2.81Å; L411-I436 HydrophobicContact CD2-CD1 3.42Å; L411-I436 VanDerWaalsContact CD2-CD1 3.42Å
412	M	95.7	Very high	94	Very high	41 Å²	41	54.1 Å²	54.1	20%	0.202	27%	0.272	C	S	.	.	H	α-helix	trans	-59.9	-41.3	-176.5	-66.8	175.1	174	0	0	112.4	M374 E404 G406 K409 E410 L414 I415 D416	M374-M412 HydrophobicContact CE-CE 3.83Å; M374-M412 HydrophobicContact CE-CG 3.52Å; M374-M412 HydrophobicContact SD-CG 4.41Å; E404-M412 WeakPolarHBondContact O-CE 3.23Å; G406-M412 WeakPolarHBondContact O-CE 3.39Å; K409-M412 HydrophobicContact CB-SD 4.39Å; K409-M412 HydrophobicContact CG-CE 4.14Å; K409-M412 VanDerWaalsContact O-CB 3.31Å; K409-M412 WeakPolarHBondContact O-CB 3.44Å; K409-M412 VanDerWaalsContact O-CG 3.28Å; K409-M412 WeakPolarHBondContact O-CG 3.37Å; K409-M412 PolarHBondContact O-N 3.17Å; E410-M412 VanDerWaalsContact C-N 3.31Å; E410-M412 PolarHBondContact O-N 2.79Å; M412-L414 VanDerWaalsContact C-N 3.3Å; M412-L414 PolarHBondContact O-N 3.44Å; M412-I415 PolarHBondContact O-N 3.22Å; M412-D416 PolarHBondContact O-N 2.8Å
413	V	94.2	Very high	94.2	Very high	111 Å²	111	50 Å²	50	67%	0.673	26%	0.258	S	S	*	.	H	α-helix	trans	-63.7	-39.5	178.6	-178.2	0	0	0	0	110.7	L411 A417	L411-V413 VanDerWaalsContact C-N 3.33Å; L411-V413 PolarHBondContact O-N 3.34Å; V413-A417 WeakPolarHBondContact O-CB 3.37Å; V413-A417 PolarHBondContact O-N 2.82Å; V413-A417 VanDerWaalsContact O-N 3.14Å
414	L	96.8	Very high	94.4	Very high	1 Å²	1	53.9 Å²	53.9	1%	0.005	28%	0.279	C	S	.	.	H	α-helix	trans	-73.8	-33.7	179	-170.4	59.1	0	0	0	111.9	Y366 L370 L411 M412 C418 L427 V432 Q435 I436	Y366-L414 HydrophobicContact CE1-CD2 4.17Å; L370-L414 HydrophobicContact CD1-CB 4.03Å; L370-L414 HydrophobicContact CD1-CD2 3.82Å; L370-L414 HydrophobicContact CD1-CG 3.78Å; L411-L414 PolarHBondContact O-N 2.86Å; L411-L414 VanDerWaalsContact O-N 3.13Å; M412-L414 VanDerWaalsContact C-N 3.3Å; M412-L414 PolarHBondContact O-N 3.44Å; L414-C418 VanDerWaalsContact O-CB 3.23Å; L414-C418 WeakPolarHBondContact O-CB 3.31Å; L414-C418 PolarHBondContact O-N 3.2Å; L414-C418 PolarHBondContact O-SG 3.22Å; L414-L427 HydrophobicContact CD1-CD1 3.75Å; L414-V432 HydrophobicContact CD1-CG1 4.36Å; L414-V432 HydrophobicContact CD2-CG1 4.42Å; L414-Q435 HydrophobicContact CD1-CB 4.28Å; L414-I436 HydrophobicContact CD2-CB 3.83Å; L414-I436 HydrophobicContact CD2-CD1 4.17Å; L414-I436 HydrophobicContact CD2-CG1 4.36Å
415	I	97.7	Very high	94.9	Very high	1 Å²	1	53.2 Å²	53.2	1%	0.005	28%	0.276	C	S	.	.	H	α-helix	trans	-60.5	-53	171.2	-72.8	158.4	0	0	0	110.4	L370 T371 M374 M403 L411 M412 A417 C418 C419	L370-I415 HydrophobicContact CB-CD1 3.89Å; L370-I415 HydrophobicContact CB-CG1 3.48Å; L370-I415 VanDerWaalsContact CB-CG1 3.48Å; L370-I415 HydrophobicContact CD1-CG1 3.99Å; L370-I415 HydrophobicContact CG-CG1 4.4Å; T371-I415 HydrophobicContact CG2-CD1 3.98Å; T371-I415 HydrophobicContact CG2-CG1 4.28Å; T371-I415 HydrophobicContact CG2-CG2 3.98Å; M374-I415 HydrophobicContact CG-CD1 4.46Å; M374-I415 HydrophobicContact SD-CD1 3.22Å; M374-I415 WeakPolarHBondContact SD-CD1 2.9Å; M403-I415 HydrophobicContact SD-CD1 4.38Å; L411-I415 HydrophobicContact CB-CD1 4.44Å; L411-I415 WeakPolarHBondContact O-CG1 3.5Å; L411-I415 PolarHBondContact O-N 2.81Å; M412-I415 PolarHBondContact O-N 3.22Å; I415-A417 VanDerWaalsContact C-N 3.29Å; I415-A417 PolarHBondContact O-N 3.04Å; I415-C418 PolarHBondContact O-N 2.91Å; I415-C418 VanDerWaalsContact O-N 3.15Å; I415-C419 VanDerWaalsContact O-CB 3.31Å; I415-C419 WeakPolarHBondContact O-CB 3.41Å; I415-C419 PolarHBondContact O-N 2.97Å
416	D	95.8	Very high	95.5	Very high	42 Å²	42	46.1 Å²	46.1	23%	0.225	24%	0.238	C	C	.	.	H	α-helix	trans	-59.4	-40.8	-179.3	-87.8	17.1	0	0	0	111.1	R399 M412 C419 E420	R399-D416 IonicContact CZ-OD2 3.8Å; R399-D416 IonicContact NH1-OD2 3.65Å; R399-D416 PolarHBondContact NH1-OD2 3.27Å; M412-D416 PolarHBondContact O-N 2.8Å; D416-C419 CarbonylContact O-C 3.5Å; D416-E420 PolarHBondContact O-N 3.29Å
417	A	97.1	Very high	96.1	Very high	29 Å²	29	47.3 Å²	47.3	24%	0.24	24%	0.243	C	C	.	.	H	α-helix	trans	-73.4	-26.1	177.8	0	0	0	0	0	114.6	V413 I415 L427	V413-A417 WeakPolarHBondContact O-CB 3.37Å; V413-A417 PolarHBondContact O-N 2.82Å; V413-A417 VanDerWaalsContact O-N 3.14Å; I415-A417 VanDerWaalsContact C-N 3.29Å; I415-A417 PolarHBondContact O-N 3.04Å; A417-L427 HydrophobicContact CB-CD1 3.69Å; A417-L427 HydrophobicContact CB-CD2 4.48Å; A417-L427 HydrophobicContact CB-CG 3.89Å; A417-L427 PolarHBondContact O-N 3.38Å
418	C	98.4	Very high	96.4	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-84.2	-30.6	174.5	-69	0	0	0	0	112.4	V363 W364 L414 I415 E420 R426	V363-C418 HydrophobicContact CG1-CB 3.97Å; V363-C418 WeakPolarHBondContact O-CB 3.39Å; W364-C418 WeakPolarHBondContact CA-O 3.07Å; L414-C418 VanDerWaalsContact O-CB 3.23Å; L414-C418 WeakPolarHBondContact O-CB 3.31Å; L414-C418 PolarHBondContact O-N 3.2Å; L414-C418 PolarHBondContact O-SG 3.22Å; I415-C418 PolarHBondContact O-N 2.91Å; I415-C418 VanDerWaalsContact O-N 3.15Å; C418-E420 VanDerWaalsContact C-N 3.35Å; C418-R426 WeakPolarHBondContact O-CD 3.32Å; C418-R426 VanDerWaalsContact O-CG 3.24Å; C418-R426 WeakPolarHBondContact O-CG 3.44Å
419	C	97.9	Very high	96.5	Very high	10 Å²	10	48.1 Å²	48.1	7%	0.068	25%	0.248	C	C	.	.	S	Bend	trans	-96.9	22.9	177.6	-65.9	0	0	0	0	112.9	W364 H401 I415 D416	W364-C419 HydrophobicContact CE3-CB 4.26Å; W364-C419 HydrophobicContact CZ3-CB 4.28Å; W364-C419 WeakPolarHBondContact CZ3-O 3.47Å; H401-C419 HydrophobicContact CB-CB 4.4Å; I415-C419 VanDerWaalsContact O-CB 3.31Å; I415-C419 WeakPolarHBondContact O-CB 3.41Å; I415-C419 PolarHBondContact O-N 2.97Å; D416-C419 CarbonylContact O-C 3.5Å
420	E	97.3	Very high	96.7	Very high	61 Å²	61	45.4 Å²	45.4	29%	0.285	24%	0.24	S	C	.	.			trans	-61.2	133.7	171.9	175.5	43.7	-112.2	0	0	110.2	D416 C418 N422 E425 R426	D416-E420 PolarHBondContact O-N 3.29Å; C418-E420 VanDerWaalsContact C-N 3.35Å; E420-N422 PolarHBondContact OE1-N 2.79Å; E420-E425 HydrophobicContact CG-CB 3.76Å; E420-R426 HydrophobicContact CB-CB 4.06Å; E420-R426 HydrophobicContact CB-CG 4.32Å; E420-R426 HydrophobicContact CG-CB 4.47Å; E420-R426 VanDerWaalsContact O-CZ 3.28Å; E420-R426 PolarHBondContact O-NE 2.92Å; E420-R426 PolarHBondContact O-NH2 3.47Å
421	R	95.4	Very high	97	Very high	47 Å²	47	43.4 Å²	43.4	18%	0.177	23%	0.233	C	C	.	.	S	Bend	trans	-67.2	-42.1	-176.2	-56.4	-159.6	79.1	68.3	-9.6	111.7	I394 L395 E397 E398 P423 R426	I394-R421 PolarHBondContact O-NH2 3.34Å; L395-R421 VanDerWaalsContact C-NH2 3.33Å; L395-R421 PolarHBondContact O-NH2 2.66Å; E397-R421 PolarHBondContact O-NH1 2.72Å; E397-R421 PolarHBondContact O-NH2 3.32Å; E398-R421 VanDerWaalsContact O-CD 3.26Å; E398-R421 WeakPolarHBondContact O-CD 3.48Å; E398-R421 WeakPolarHBondContact O-CG 3.22Å; E398-R421 PolarHBondContact O-NH1 3.43Å; E398-R421 WeakPolarHBondContact OE2-CD 3.43Å; E398-R421 IonicContact OE2-NE 3.81Å; R421-P423 VanDerWaalsContact O-CD 3.24Å; R421-P423 WeakPolarHBondContact O-CD 3.4Å; R421-R426 PolarHBondContact O-NH2 3.13Å
422	N	95.6	Very high	97	Very high	66 Å²	66	43.4 Å²	43.4	35%	0.353	23%	0.233	S	C	.	.	S	Bend	trans	-76.4	113.1	178.2	-175.3	-6.9	0	0	0	109.6	E420 N424 E425 R426	E420-N422 PolarHBondContact OE1-N 2.79Å; N422-N424 PolarHBondContact O-N 2.75Å; N422-N424 WeakPolarHBondContact OD1-CB 3.42Å; N422-N424 PolarHBondContact OD1-N 2.69Å; N422-E425 HydrophobicContact CB-CB 4.29Å; N422-E425 HydrophobicContact CB-CG 4.05Å; N422-E425 PolarHBondContact O-N 2.9Å; N422-R426 PolarHBondContact O-N 3.39Å
423	P	95.9	Very high	97.2	Very high	34 Å²	34	44.1 Å²	44.1	22%	0.221	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-20	-178.7	-21.8	35.1	0	0	0	113.2	E350 K360 R421	E350-P423 HydrophobicContact CG-CG 4.38Å; K360-P423 HydrophobicContact CB-CB 4.23Å; K360-P423 WeakPolarHBondContact CD-O 3.35Å; K360-P423 WeakPolarHBondContact CG-O 3.49Å; K360-P423 PolarHBondContact NZ-O 3.31Å; R421-P423 VanDerWaalsContact O-CD 3.24Å; R421-P423 WeakPolarHBondContact O-CD 3.4Å
424	N	95.8	Very high	97.4	Very high	127 Å²	127	45.9 Å²	45.9	68%	0.679	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-47.1	176.9	-64.3	-23.3	0	0	0	111.7	K360 N422	K360-N424 PolarHBondContact NZ-O 2.84Å; N422-N424 PolarHBondContact O-N 2.75Å; N422-N424 WeakPolarHBondContact OD1-CB 3.42Å; N422-N424 PolarHBondContact OD1-N 2.69Å
425	E	97	Very high	97.5	Very high	137 Å²	137	48.8 Å²	48.8	64%	0.64	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-28.2	178.2	-57	-51.5	135.8	0	0	113	E420 N422	E420-E425 HydrophobicContact CG-CB 3.76Å; N422-E425 HydrophobicContact CB-CB 4.29Å; N422-E425 HydrophobicContact CB-CG 4.05Å; N422-E425 PolarHBondContact O-N 2.9Å
426	R	97.6	Very high	97.5	Very high	2 Å²	2	48.8 Å²	48.8	1%	0.008	24%	0.243	C	C	.	.	S	Bend	trans	-54.2	140.2	175.1	-165.8	-176.1	-60.6	152.6	10.1	110.9	E350 K360 V363 C418 E420 R421 N422	E350-R426 IonicContact OE1-CZ 2.68Å; E350-R426 IonicContact OE1-NH1 2.69Å; E350-R426 PolarHBondContact OE1-NH1 2.87Å; E350-R426 IonicContact OE1-NH2 3.62Å; E350-R426 PolarHBondContact OE1-NH2 3.45Å; E350-R426 IonicContact OE2-NH2 3.49Å; E350-R426 PolarHBondContact OE2-NH2 2.95Å; K360-R426 WeakPolarHBondContact CE-O 3.25Å; K360-R426 PolarHBondContact NZ-O 3.09Å; K360-R426 VanDerWaalsContact O-CD 3.25Å; K360-R426 WeakPolarHBondContact O-CD 3.35Å; K360-R426 PolarHBondContact O-NH1 3.25Å; V363-R426 HydrophobicContact CG1-CG 3.95Å; C418-R426 WeakPolarHBondContact O-CD 3.32Å; C418-R426 VanDerWaalsContact O-CG 3.24Å; C418-R426 WeakPolarHBondContact O-CG 3.44Å; E420-R426 HydrophobicContact CB-CB 4.06Å; E420-R426 HydrophobicContact CB-CG 4.32Å; E420-R426 HydrophobicContact CG-CB 4.47Å; E420-R426 VanDerWaalsContact O-CZ 3.28Å; E420-R426 PolarHBondContact O-NE 2.92Å; E420-R426 PolarHBondContact O-NH2 3.47Å; R421-R426 PolarHBondContact O-NH2 3.13Å; N422-R426 PolarHBondContact O-N 3.39Å
427	L	98	Very high	97.6	Very high	29 Å²	29	47.7 Å²	47.7	15%	0.152	24%	0.238	C	C	.	.			trans	-58.8	164.7	-178.4	-59.3	-177.5	0	0	0	113.5	K360 V363 L414 A417 T431 V432	K360-L427 VanDerWaalsContact CD-O 3.3Å; K360-L427 WeakPolarHBondContact CD-O 3.46Å; V363-L427 HydrophobicContact CG1-CB 4.44Å; L414-L427 HydrophobicContact CD1-CD1 3.75Å; A417-L427 HydrophobicContact CB-CD1 3.69Å; A417-L427 HydrophobicContact CB-CD2 4.48Å; A417-L427 HydrophobicContact CB-CG 3.89Å; A417-L427 PolarHBondContact O-N 3.38Å; L427-T431 HydrophobicContact CD1-CG2 4.49Å; L427-T431 HydrophobicContact CD2-CG2 3.91Å; L427-V432 HydrophobicContact CB-CG2 3.67Å; L427-V432 HydrophobicContact CD1-CG2 3.95Å; L427-V432 HydrophobicContact CG-CG2 4.49Å
428	N	98.2	Very high	97.6	Very high	60 Å²	60	50 Å²	50	32%	0.321	25%	0.246	S	C	.	.			trans	-107.2	160.1	164.8	63.1	28	0	0	0	110.2	E359 N430 T431 V432	E359-N428 WeakPolarHBondContact OE1-CA 3.4Å; E359-N428 WeakPolarHBondContact OE1-CB 3.4Å; N428-N430 PolarHBondContact O-N 3.22Å; N428-T431 PolarHBondContact O-N 3Å; N428-T431 WeakPolarHBondContact OD1-CB 3.32Å; N428-T431 PolarHBondContact OD1-N 3.15Å; N428-T431 PolarHBondContact OD1-OG1 2.99Å; N428-V432 WeakPolarHBondContact O-CG2 3.48Å; N428-V432 PolarHBondContact O-N 3.03Å
429	F	98.5	Very high	97.5	Very high	1 Å²	1	51.5 Å²	51.5	0%	0.004	25%	0.253	C	S	.	.	H	α-helix	trans	-66	-21.9	-175.1	-78.7	-62	0	0	0	114.1	M294 R295 E359 D362 V363 Y366 V432 K433	M294-F429 HydrophobicContact CB-CD1 3.54Å; M294-F429 HydrophobicContact CB-CD2 4Å; M294-F429 HydrophobicContact CB-CE1 3.39Å; M294-F429 HydrophobicContact CB-CE2 3.87Å; M294-F429 HydrophobicContact CB-CG 3.86Å; M294-F429 HydrophobicContact CB-CZ 3.57Å; M294-F429 HydrophobicContact CE-CE2 3.68Å; M294-F429 HydrophobicContact CE-CZ 3.62Å; M294-F429 HydrophobicContact CG-CE1 3.92Å; M294-F429 HydrophobicContact CG-CZ 3.92Å; R295-F429 HydrophobicContact CB-CB 4Å; E359-F429 HydrophobicContact CG-CD2 3.65Å; E359-F429 HydrophobicContact CG-CE2 4.07Å; E359-F429 PolarHBondContact OE1-N 3.12Å; D362-F429 HydrophobicContact CB-CE2 3.79Å; D362-F429 HydrophobicContact CB-CZ 4.05Å; V363-F429 HydrophobicContact CB-CE2 4.49Å; V363-F429 HydrophobicContact CB-CZ 4.26Å; V363-F429 HydrophobicContact CG2-CD1 4.13Å; V363-F429 HydrophobicContact CG2-CD2 3.73Å; V363-F429 HydrophobicContact CG2-CE1 3.93Å; V363-F429 HydrophobicContact CG2-CE2 3.52Å; V363-F429 HydrophobicContact CG2-CG 4.02Å; V363-F429 HydrophobicContact CG2-CZ 3.63Å; Y366-F429 HydrophobicContact CD2-CE1 4.34Å; Y366-F429 AromaticContact CG-CE1 3.97Å; Y366-F429 HydrophobicContact CG-CE1 3.97Å; F429-V432 HydrophobicContact CD1-CB 4.29Å; F429-V432 HydrophobicContact CD1-CG1 4.38Å; F429-K433 WeakPolarHBondContact O-CB 3.39Å; F429-K433 PolarHBondContact O-N 3.32Å
430	N	98.2	Very high	97.5	Very high	81 Å²	81	52.3 Å²	52.3	43%	0.433	26%	0.255	S	S	.	.	H	α-helix	trans	-60.9	-46.3	168.1	-75.6	-56.7	0	0	0	111.4	R295 N428 R434	R295-N430 PolarHBondContact NE-OD1 3.19Å; R295-N430 PolarHBondContact NH2-OD1 2.8Å; N428-N430 PolarHBondContact O-N 3.22Å; N430-R434 PolarHBondContact O-N 3.23Å
431	T	98.4	Very high	97.5	Very high	32 Å²	32	53.9 Å²	53.9	20%	0.196	26%	0.264	C	S	.	.	H	α-helix	trans	-74.2	-42.8	-180	-55.3	0	0	0	0	112	L427 N428 K433 R434 Q435	L427-T431 HydrophobicContact CD1-CG2 4.49Å; L427-T431 HydrophobicContact CD2-CG2 3.91Å; N428-T431 PolarHBondContact O-N 3Å; N428-T431 WeakPolarHBondContact OD1-CB 3.32Å; N428-T431 PolarHBondContact OD1-N 3.15Å; N428-T431 PolarHBondContact OD1-OG1 2.99Å; T431-K433 PolarHBondContact O-N 2.91Å; T431-R434 PolarHBondContact O-N 3.1Å; T431-Q435 HydrophobicContact CG2-CG 4.43Å; T431-Q435 PolarHBondContact O-N 2.84Å
432	V	98.7	Very high	97.5	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-56.1	-51	174.5	173.7	0	0	0	0	110.3	A291 V363 Y366 L414 L427 N428 F429 R434 Q435 I436	A291-V432 HydrophobicContact CB-CG1 4.11Å; V363-V432 HydrophobicContact CG1-CG2 4.18Å; Y366-V432 HydrophobicContact CD1-CG1 3.67Å; Y366-V432 HydrophobicContact CE1-CG1 3.26Å; L414-V432 HydrophobicContact CD1-CG1 4.36Å; L414-V432 HydrophobicContact CD2-CG1 4.42Å; L427-V432 HydrophobicContact CB-CG2 3.67Å; L427-V432 HydrophobicContact CD1-CG2 3.95Å; L427-V432 HydrophobicContact CG-CG2 4.49Å; N428-V432 WeakPolarHBondContact O-CG2 3.48Å; N428-V432 PolarHBondContact O-N 3.03Å; F429-V432 HydrophobicContact CD1-CB 4.29Å; F429-V432 HydrophobicContact CD1-CG1 4.38Å; V432-R434 VanDerWaalsContact C-N 3.29Å; V432-R434 PolarHBondContact O-N 3.44Å; V432-Q435 PolarHBondContact O-N 3.06Å; V432-I436 WeakPolarHBondContact O-CG2 3.29Å; V432-I436 PolarHBondContact O-N 3.21Å
433	K	98.5	Very high	97.4	Very high	55 Å²	55	54.7 Å²	54.7	24%	0.239	27%	0.272	C	S	.	.	H	α-helix	trans	-57.3	-42.1	178.7	-172.6	-86.2	167.6	-144.9	0	111.4	A291 R295 F429 T431 I436 T437	A291-K433 HydrophobicContact CB-CB 4.43Å; R295-K433 HydrophobicContact CB-CB 4.48Å; F429-K433 WeakPolarHBondContact O-CB 3.39Å; F429-K433 PolarHBondContact O-N 3.32Å; T431-K433 PolarHBondContact O-N 2.91Å; K433-I436 WeakPolarHBondContact O-CG2 3.32Å; K433-T437 PolarHBondContact NZ-OG1 3.18Å; K433-T437 WeakPolarHBondContact O-CB 3.34Å; K433-T437 PolarHBondContact O-N 2.93Å; K433-T437 VanDerWaalsContact O-N 3.17Å; K433-T437 PolarHBondContact O-OG1 3.07Å
434	R	98.4	Very high	97.2	Very high	148 Å²	148	55.4 Å²	55.4	56%	0.558	27%	0.273	S	S	*	.	H	α-helix	trans	-61.1	-59.6	176.6	179.1	176.7	62.1	172.7	-1.6	110.5	N430 T431 V432 I436 T437 D438	N430-R434 PolarHBondContact O-N 3.23Å; T431-R434 PolarHBondContact O-N 3.1Å; V432-R434 VanDerWaalsContact C-N 3.29Å; V432-R434 PolarHBondContact O-N 3.44Å; R434-I436 VanDerWaalsContact C-N 3.34Å; R434-I436 PolarHBondContact O-N 3.14Å; R434-T437 WeakPolarHBondContact O-CA 3.49Å; R434-T437 VanDerWaalsContact O-CB 3.24Å; R434-T437 WeakPolarHBondContact O-CB 3.35Å; R434-T437 PolarHBondContact O-N 2.99Å; R434-D438 WeakPolarHBondContact CG-OD2 3.04Å; R434-D438 VanDerWaalsContact O-CG 3.25Å; R434-D438 PolarHBondContact O-N 3.41Å
435	Q	98.4	Very high	97.1	Very high	63 Å²	63	55.9 Å²	55.9	29%	0.294	28%	0.276	S	S	.	.	H	α-helix	trans	-57.5	-42.1	-175.7	-70.9	-178.5	-3	0	0	113.2	L414 T431 V432 T437 D438 I439	L414-Q435 HydrophobicContact CD1-CB 4.28Å; T431-Q435 HydrophobicContact CG2-CG 4.43Å; T431-Q435 PolarHBondContact O-N 2.84Å; V432-Q435 PolarHBondContact O-N 3.06Å; Q435-T437 VanDerWaalsContact C-N 3.3Å; Q435-T437 PolarHBondContact O-N 3.28Å; Q435-D438 PolarHBondContact O-N 3.49Å; Q435-I439 VanDerWaalsContact O-CG1 3.3Å; Q435-I439 WeakPolarHBondContact O-CG1 3.48Å; Q435-I439 PolarHBondContact O-N 2.99Å
436	I	98.3	Very high	96.6	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-70	-27.1	176.4	-167.2	55	0	0	0	113.1	L284 A287 M288 A291 L411 L414 V432 K433 R434 I439 Y440	L284-I436 HydrophobicContact CD2-CD1 4.3Å; A287-I436 HydrophobicContact CB-CD1 3.86Å; A287-I436 HydrophobicContact CB-CG1 3.86Å; M288-I436 HydrophobicContact CB-CG1 4.08Å; M288-I436 HydrophobicContact CB-CG2 4.12Å; M288-I436 HydrophobicContact CG-CG2 4.22Å; A291-I436 HydrophobicContact CB-CG2 3.73Å; L411-I436 HydrophobicContact CD2-CD1 3.42Å; L411-I436 VanDerWaalsContact CD2-CD1 3.42Å; L414-I436 HydrophobicContact CD2-CB 3.83Å; L414-I436 HydrophobicContact CD2-CD1 4.17Å; L414-I436 HydrophobicContact CD2-CG1 4.36Å; V432-I436 WeakPolarHBondContact O-CG2 3.29Å; V432-I436 PolarHBondContact O-N 3.21Å; K433-I436 WeakPolarHBondContact O-CG2 3.32Å; R434-I436 VanDerWaalsContact C-N 3.34Å; R434-I436 PolarHBondContact O-N 3.14Å; I436-I439 HydrophobicContact CD1-CB 4.41Å; I436-I439 HydrophobicContact CD1-CG2 4.35Å; I436-Y440 VanDerWaalsContact O-CB 3.27Å; I436-Y440 WeakPolarHBondContact O-CB 3.49Å; I436-Y440 PolarHBondContact O-N 3.48Å
437	T	98.1	Very high	95.1	Very high	20 Å²	20	56.1 Å²	56.1	12%	0.123	28%	0.284	C	S	.	.	H	α-helix	trans	-66.8	-45.1	171	-53.3	0	0	0	0	110.2	M288 K433 R434 Q435 Y440 M441	M288-T437 HydrophobicContact SD-CG2 3.93Å; K433-T437 PolarHBondContact NZ-OG1 3.18Å; K433-T437 WeakPolarHBondContact O-CB 3.34Å; K433-T437 PolarHBondContact O-N 2.93Å; K433-T437 VanDerWaalsContact O-N 3.17Å; K433-T437 PolarHBondContact O-OG1 3.07Å; R434-T437 WeakPolarHBondContact O-CA 3.49Å; R434-T437 VanDerWaalsContact O-CB 3.24Å; R434-T437 WeakPolarHBondContact O-CB 3.35Å; R434-T437 PolarHBondContact O-N 2.99Å; Q435-T437 VanDerWaalsContact C-N 3.3Å; Q435-T437 PolarHBondContact O-N 3.28Å; T437-Y440 PolarHBondContact O-N 2.9Å; T437-M441 HydrophobicContact CG2-CG 4.35Å; T437-M441 VanDerWaalsContact O-CG 3.28Å; T437-M441 WeakPolarHBondContact O-CG 3.47Å; T437-M441 PolarHBondContact O-N 3.35Å
438	D	97.6	Very high	93.3	Very high	78 Å²	78	59 Å²	59	42%	0.417	31%	0.305	S	S	.	.	H	α-helix	trans	-63.7	-48.1	-178.9	-53.9	-31.2	0	0	0	110.2	R434 Q435 Y440 M441 E442	R434-D438 WeakPolarHBondContact CG-OD2 3.04Å; R434-D438 VanDerWaalsContact O-CG 3.25Å; R434-D438 PolarHBondContact O-N 3.41Å; Q435-D438 PolarHBondContact O-N 3.49Å; D438-Y440 VanDerWaalsContact C-N 3.34Å; D438-Y440 PolarHBondContact O-N 2.97Å; D438-M441 PolarHBondContact O-N 3.05Å; D438-E442 WeakPolarHBondContact O-CG 3.44Å; D438-E442 PolarHBondContact O-N 3.03Å
439	I	97	Very high	91.2	Very high	30 Å²	30	63.9 Å²	63.9	15%	0.154	33%	0.326	C	S	.	.	H	α-helix	trans	-54.9	-45.8	172.5	-70	164.2	0	0	0	111.8	L284 E410 Q435 I436 A443	L284-I439 HydrophobicContact CD1-CG2 4.14Å; L284-I439 HydrophobicContact CD2-CG2 3.87Å; E410-I439 HydrophobicContact CB-CG2 3.61Å; E410-I439 HydrophobicContact CG-CG2 4.37Å; Q435-I439 VanDerWaalsContact O-CG1 3.3Å; Q435-I439 WeakPolarHBondContact O-CG1 3.48Å; Q435-I439 PolarHBondContact O-N 2.99Å; I436-I439 HydrophobicContact CD1-CB 4.41Å; I436-I439 HydrophobicContact CD1-CG2 4.35Å; I439-A443 WeakPolarHBondContact O-CB 3.48Å; I439-A443 PolarHBondContact O-N 3.17Å
440	Y	96.7	Very high	88.8	Confident	28 Å²	28	69.6 Å²	69.6	11%	0.11	36%	0.356	C	S	.	.	H	α-helix	trans	-63.6	-44.2	178.5	176.2	-93	0	0	0	111.9	L281 L284 W285 M288 I436 T437 D438 A443 L444	L281-Y440 HydrophobicContact CD1-CD2 3.86Å; L281-Y440 HydrophobicContact CD1-CE2 3.4Å; L281-Y440 HydrophobicContact CG-CE2 3.78Å; L284-Y440 HydrophobicContact CB-CD2 3.84Å; W285-Y440 HydrophobicContact CB-CD2 4.43Å; W285-Y440 HydrophobicContact CB-CE2 3.9Å; W285-Y440 HydrophobicContact CD2-CE2 4.37Å; W285-Y440 HydrophobicContact CE3-CD1 4.41Å; W285-Y440 HydrophobicContact CE3-CD2 4.26Å; W285-Y440 AromaticContact CE3-CE1 3.79Å; W285-Y440 HydrophobicContact CE3-CE1 3.79Å; W285-Y440 AromaticContact CE3-CE2 3.63Å; W285-Y440 HydrophobicContact CE3-CE2 3.63Å; W285-Y440 AromaticContact CE3-CZ 3.37Å; W285-Y440 AromaticContact CZ3-CE1 3.87Å; W285-Y440 HydrophobicContact CZ3-CE1 3.87Å; W285-Y440 AromaticContact CZ3-CZ 3.85Å; M288-Y440 HydrophobicContact CE-CD1 3.66Å; M288-Y440 HydrophobicContact CE-CD2 4.38Å; M288-Y440 HydrophobicContact CE-CE1 4.07Å; M288-Y440 HydrophobicContact CE-CG 3.85Å; M288-Y440 HydrophobicContact SD-CD1 4.34Å; M288-Y440 HydrophobicContact SD-CG 4.37Å; I436-Y440 VanDerWaalsContact O-CB 3.27Å; I436-Y440 WeakPolarHBondContact O-CB 3.49Å; I436-Y440 PolarHBondContact O-N 3.48Å; T437-Y440 PolarHBondContact O-N 2.9Å; D438-Y440 VanDerWaalsContact C-N 3.34Å; D438-Y440 PolarHBondContact O-N 2.97Å; Y440-A443 PolarHBondContact O-N 3.13Å; Y440-L444 HydrophobicContact CE1-CD2 4.2Å; Y440-L444 WeakPolarHBondContact O-CB 3.43Å; Y440-L444 PolarHBondContact O-N 3.45Å
441	M	96.5	Very high	86	Confident	93 Å²	93	70 Å²	70	46%	0.458	38%	0.38	S	S	.	.	H	α-helix	trans	-66.8	-39	179.2	-69.3	-62.6	-166.2	0	0	112.1	T437 D438 L444 N445	T437-M441 HydrophobicContact CG2-CG 4.35Å; T437-M441 VanDerWaalsContact O-CG 3.28Å; T437-M441 WeakPolarHBondContact O-CG 3.47Å; T437-M441 PolarHBondContact O-N 3.35Å; D438-M441 PolarHBondContact O-N 3.05Å; M441-L444 PolarHBondContact O-N 3.01Å; M441-L444 HydrophobicContact SD-CD2 4.28Å; M441-N445 WeakPolarHBondContact O-CB 3.23Å; M441-N445 PolarHBondContact O-N 3.38Å; M441-N445 PolarHBondContact O-ND2 3.11Å; M441-N445 VanDerWaalsContact O-ND2 3.17Å
442	E	95.6	Very high	83.3	Confident	108 Å²	108	77 Å²	77	51%	0.505	40%	0.402	S	S	.	.	H	α-helix	trans	-61.7	-44.8	172.5	-75.4	-176.6	-155.9	0	0	112.3	D438 L444 N445 K446	D438-E442 WeakPolarHBondContact O-CG 3.44Å; D438-E442 PolarHBondContact O-N 3.03Å; E442-L444 VanDerWaalsContact C-N 3.34Å; E442-N445 PolarHBondContact O-N 2.98Å; E442-K446 VanDerWaalsContact O-CG 3.29Å; E442-K446 WeakPolarHBondContact O-CG 3.34Å; E442-K446 PolarHBondContact O-N 3.23Å; E442-K446 IonicContact OE2-NZ 2.85Å
443	A	94.1	Very high	80.2	Confident	23 Å²	23	86.1 Å²	86.1	19%	0.19	44%	0.442	C	S	.	.	H	α-helix	trans	-64.9	-37.8	177	0	0	0	0	0	112.2	L281 L284 I439 Y440	L281-A443 HydrophobicContact CD1-CB 4.19Å; L284-A443 HydrophobicContact CD1-CB 3.43Å; L284-A443 VanDerWaalsContact CD1-CB 3.43Å; I439-A443 WeakPolarHBondContact O-CB 3.48Å; I439-A443 PolarHBondContact O-N 3.17Å; Y440-A443 PolarHBondContact O-N 3.13Å
444	L	92.6	Very high	77.3	Confident	49 Å²	49	88.1 Å²	88.1	26%	0.257	46%	0.461	S	S	.	.	H	α-helix	trans	-63.5	-46.1	174.5	-174.8	68.7	0	0	0	111.4	L281 Y440 M441 E442 K446 G447	L281-L444 HydrophobicContact CD1-CB 4.12Å; L281-L444 HydrophobicContact CD1-CD1 4.34Å; L281-L444 HydrophobicContact CD2-CD1 3.77Å; Y440-L444 HydrophobicContact CE1-CD2 4.2Å; Y440-L444 WeakPolarHBondContact O-CB 3.43Å; Y440-L444 PolarHBondContact O-N 3.45Å; M441-L444 PolarHBondContact O-N 3.01Å; M441-L444 HydrophobicContact SD-CD2 4.28Å; E442-L444 VanDerWaalsContact C-N 3.34Å; L444-K446 VanDerWaalsContact C-N 3.34Å; L444-K446 PolarHBondContact O-N 3.42Å; L444-G447 PolarHBondContact O-N 3.46Å
445	N	92	Very high	74.5	Confident	136 Å²	136	89.6 Å²	89.6	73%	0.727	47%	0.474	S	S	*	.	H	α-helix	trans	-68.6	-28.7	-178.9	-71.6	-25.3	0	0	0	113.3	M441 E442 G447	M441-N445 WeakPolarHBondContact O-CB 3.23Å; M441-N445 PolarHBondContact O-N 3.38Å; M441-N445 PolarHBondContact O-ND2 3.11Å; M441-N445 VanDerWaalsContact O-ND2 3.17Å; E442-N445 PolarHBondContact O-N 2.98Å; N445-G447 PolarHBondContact O-N 3.28Å
446	K	86.6	Confident	71.5	Confident	110 Å²	110	92.8 Å²	92.8	48%	0.478	49%	0.493	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-10.3	174.3	-75.7	165.3	-175.2	162	0	113.8	E442 L444 Q449	E442-K446 VanDerWaalsContact O-CG 3.29Å; E442-K446 WeakPolarHBondContact O-CG 3.34Å; E442-K446 PolarHBondContact O-N 3.23Å; E442-K446 IonicContact OE2-NZ 2.85Å; L444-K446 VanDerWaalsContact C-N 3.34Å; L444-K446 PolarHBondContact O-N 3.42Å; K446-Q449 PolarHBondContact O-NE2 2.65Å; K446-Q449 VanDerWaalsContact O-NE2 3.1Å
447	G	66.9	Low	68.7	Low	34 Å²	34	97.6 Å²	97.6	35%	0.351	53%	0.527	S	S	.	.			trans	65	-176.6	-179.3	0	0	0	0	0	114.1	L444 N445 Q449	L444-G447 PolarHBondContact O-N 3.46Å; N445-G447 PolarHBondContact O-N 3.28Å; G447-Q449 PolarHBondContact O-N 2.78Å
448	P	59.3	Low	65.9	Low	90 Å²	90	101 Å²	101	58%	0.584	56%	0.557	S	S	*	*			trans	-65	102.5	175.3	-18.5	32.2	0	0	0	111	D450	P448-D450 WeakPolarHBondContact CB-O 3.37Å; P448-D450 PolarHBondContact O-N 3.11Å
449	Q	55	Low	63.1	Low	162 Å²	162	104.1 Å²	104.1	76%	0.757	57%	0.571	S	S	*	*	S	Bend	trans	-69.8	-23.6	172.5	-67.4	-72.5	-48.4	0	0	112	K446 G447	K446-Q449 PolarHBondContact O-NE2 2.65Å; K446-Q449 VanDerWaalsContact O-NE2 3.1Å; G447-Q449 PolarHBondContact O-N 2.78Å
450	D	48.7	Very low	60.1	Low	121 Å²	121	106.4 Å²	106.4	65%	0.647	59%	0.586	S	S	*	*	S	Bend	trans	-90.9	127.8	162.1	-76.9	-50.6	0	0	0	109.3	P448 R452	P448-D450 WeakPolarHBondContact CB-O 3.37Å; P448-D450 PolarHBondContact O-N 3.11Å; D450-R452 PolarHBondContact O-N 3.06Å
451	G	39.4	Very low	57.2	Low	90 Å²	90	112.1 Å²	112.1	93%	0.928	62%	0.624	S	S	*	*	S	Bend	trans	-67.4	26.2	-175.9	0	0	0	0	0	116.9
452	R	40.5	Very low	54.3	Low	178 Å²	178	114.3 Å²	114.3	67%	0.672	64%	0.636	S	S	*	*	P	Polyproline II helix	trans	-85.7	126.1	169.1	-63.2	-176.5	-170.6	171.8	7	108.6	D450	D450-R452 PolarHBondContact O-N 3.06Å
453	K	33.4	Very low	51.1	Low	193 Å²	193	115.1 Å²	115.1	84%	0.839	65%	0.649	S	S	*	*	P	Polyproline II helix	trans	-55.3	135.8	168.9	-69.8	179.6	177.7	177.8	0	108.7	E455	K453-E455 PolarHBondContact O-N 2.83Å; K453-E455 VanDerWaalsContact O-N 3.16Å
454	P	38.7	Very low	48.2	Very low	97 Å²	97	118.9 Å²	118.9	63%	0.63	67%	0.674	S	S	*	*	P	Polyproline II helix	trans	-63.1	119.4	173.8	26.3	-32.8	0	0	0	108.9	N456	P454-N456 PolarHBondContact O-N 3.42Å
455	E	39.1	Very low	45.5	Very low	179 Å²	179	126.1 Å²	126.1	84%	0.836	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-67.4	131.7	164.8	-70.5	-169.2	153.1	0	0	108.4	K453 S457	K453-E455 PolarHBondContact O-N 2.83Å; K453-E455 VanDerWaalsContact O-N 3.16Å; E455-S457 VanDerWaalsContact C-N 3.29Å; E455-S457 PolarHBondContact O-N 3.13Å
456	N	35.2	Very low	42.5	Very low	129 Å²	129	125.9 Å²	125.9	69%	0.69	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.8	77.2	-170.8	-77.8	-29.1	0	0	0	112.4	P454 T460	P454-N456 PolarHBondContact O-N 3.42Å; N456-T460 WeakPolarHBondContact CB-OG1 3.01Å; N456-T460 PolarHBondContact OD1-OG1 3.16Å
457	S	40.4	Very low	40.2	Very low	101 Å²	101	125.2 Å²	125.2	71%	0.706	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-125.3	-13.9	173.9	-63.7	0	0	0	0	114.2	E455	E455-S457 VanDerWaalsContact C-N 3.29Å; E455-S457 PolarHBondContact O-N 3.13Å
458	A	39.8	Very low	38.6	Very low	91 Å²	91	132.4 Å²	132.4	75%	0.752	74%	0.74	S	S	*	*	S	Bend	trans	-113.5	-11.1	-175.4	0	0	0	0	0	115.6
459	M	38.7	Very low	37.4	Very low	145 Å²	145	135.9 Å²	135.9	71%	0.714	75%	0.754	S	S	*	*	S	Bend	trans	-141.6	8.7	-165.6	-150.6	165.5	179.8	0	0	116.4
460	T	34.2	Very low	36.3	Very low	78 Å²	78	138.8 Å²	138.8	48%	0.479	76%	0.758	S	S	.	*	S	Bend	trans	-109.7	10.3	-172.4	-37.2	0	0	0	0	114.7	N456	N456-T460 WeakPolarHBondContact CB-OG1 3.01Å; N456-T460 PolarHBondContact OD1-OG1 3.16Å
461	V	34.8	Very low	35.7	Very low	148 Å²	148	138.7 Å²	138.7	90%	0.897	76%	0.762	S	S	*	*	S	Bend	trans	-104.5	-12	-179.7	-173.6	0	0	0	0	112.8
462	L	35.3	Very low	35.2	Very low	138 Å²	138	145.5 Å²	145.5	72%	0.723	76%	0.76	S	S	*	*	S	Bend	trans	-100.9	117.2	169.5	-69.2	165.9	0	0	0	108.7
463	T	29.4	Very low	34.9	Very low	126 Å²	126	144.6 Å²	144.6	77%	0.773	77%	0.767	S	S	*	*	S	Bend	trans	82.8	129.3	-172.2	77.2	0	0	0	0	116.4
464	S	32	Very low	34.9	Very low	102 Å²	102	139.6 Å²	139.6	71%	0.713	76%	0.756	S	S	*	*			trans	65.4	95.3	176.7	74.2	0	0	0	0	118.6
465	K	35.6	Very low	34.6	Very low	201 Å²	201	141.8 Å²	141.8	87%	0.874	76%	0.762	S	S	*	*				176.1	93.3	113.3	-93.3	169.7	-175.6	-177.6	0	112.2
466	T	30.1	Very low	34.4	Very low	131 Å²	131	140.7 Å²	140.7	80%	0.804	76%	0.762	S	S	*	*			trans	-70.8	169.5	147.3	45.1	0	0	0	0	110.2
467	S	37.9	Very low	34.3	Very low	95 Å²	95	144.5 Å²	144.5	66%	0.664	77%	0.767	S	S	*	*			trans	63.3	106.3	-177.8	66.4	0	0	0	0	114
468	E	34	Very low	34.1	Very low	185 Å²	185	150.1 Å²	150.1	86%	0.864	78%	0.778	S	S	*	*				70	105.4	98.5	-68.8	171.5	163.8	0	0	112.4
469	D	34.3	Very low	33.7	Very low	164 Å²	164	154.8 Å²	154.8	88%	0.877	78%	0.781	S	S	*	*				-156.8	160.4	112.4	-134.6	-30.7	0	0	0	113.3
470	R	31.2	Very low	33.7	Very low	222 Å²	222	153 Å²	153	84%	0.838	78%	0.784	S	S	*	*			trans	-104.8	174.3	177.5	-83.5	176.3	162.7	171.2	-3.4	111
471	T	34.7	Very low	33.9	Very low	119 Å²	119	155 Å²	155	73%	0.73	80%	0.795	S	S	*	*			trans	75.6	108.1	153.4	30.4	0	0	0	0	120.9
472	R	29.7	Very low	34	Very low	233 Å²	233	154.3 Å²	154.3	88%	0.879	79%	0.787	S	S	*	*				58	125.6	126.3	-75.5	-179.6	164.7	172.3	-4.5	121
473	I	35	Very low	33.9	Very low	159 Å²	159	158.1 Å²	158.1	82%	0.815	79%	0.791	S	S	*	*			trans	-170.1	110.7	134.5	-92.1	141.9	0	0	0	104
474	S	32.4	Very low	34.2	Very low	89 Å²	89	160.4 Å²	160.4	62%	0.622	79%	0.793	S	S	*	*				66.1	131.8	69.4	89.3	0	0	0	0	112.3
475	L	33.3	Very low	34.2	Very low	142 Å²	142	164.4 Å²	164.4	74%	0.743	80%	0.798	S	S	*	*			cis	-155.8	154.4	6.8	-83.2	117.7	0	0	0	110
476	N	35.4	Very low	34	Very low	157 Å²	157	161.7 Å²	161.7	84%	0.84	79%	0.791	S	S	*	*				-174.3	116.3	116.1	-103.1	-30.1	0	0	0	117.5
477	R	31.6	Very low	34.3	Very low	209 Å²	209	160.7 Å²	160.7	79%	0.789	79%	0.787	S	S	*	*			trans	-5.4	134.2	156.5	-78.9	170.9	165.8	172	-2.9	121.7
478	K	36.3	Very low	34	Very low	219 Å²	219	161.8 Å²	161.8	95%	0.952	80%	0.795	S	S	*	*				-151.2	158.9	108.3	-107.1	170	-178.3	176.8	0	110.8
479	K	32.9	Very low	34.1	Very low	188 Å²	188	158.3 Å²	158.3	82%	0.817	79%	0.791	S	S	*	*			trans	-110.1	145.3	-160.3	-70.5	176.3	170	-178.6	0	114.9
480	S	37.2	Very low	34.1	Very low	109 Å²	109	155.9 Å²	155.9	76%	0.762	79%	0.786	S	S	*	*			trans	-176.5	111.6	135.1	-169.9	0	0	0	0	107.2
481	V	38.9	Very low	34	Very low	118 Å²	118	154.7 Å²	154.7	72%	0.715	79%	0.787	S	S	*	*				57.3	119.2	81.3	-173.9	0	0	0	0	111
482	D	36.7	Very low	33.9	Very low	135 Å²	135	161 Å²	161	72%	0.722	80%	0.798	S	S	*	*			cis	-146.9	-178.6	23.9	-139.7	-29.5	0	0	0	116.8
483	R	32.5	Very low	33.8	Very low	218 Å²	218	154.4 Å²	154.4	82%	0.823	79%	0.787	S	S	*	*			trans	-48	164.8	-177.5	-64.6	152.5	160.3	-148.1	-2.7	117.4
484	Q	36	Very low	33.6	Very low	173 Å²	173	156.8 Å²	156.8	81%	0.808	79%	0.792	S	S	*	*			cis	-152.6	143.6	37.7	-65.7	179.3	6.3	0	0	115.5
485	K	32	Very low	33.3	Very low	187 Å²	187	162 Å²	162	81%	0.813	80%	0.804	S	S	*	*				27.4	152	128.1	-66.7	-177.3	161	-171.7	0	121.7
486	I	32.8	Very low	33.3	Very low	143 Å²	143	160.9 Å²	160.9	73%	0.733	81%	0.808	S	S	*	*			cis	-165	168	-3.1	-109.2	169.1	0	0	0	109.3
487	P	35.7	Very low	33.1	Very low	110 Å²	110	158.5 Å²	158.5	71%	0.714	80%	0.804	S	S	*	*			trans	-127.2	-158.2	-148.2	47.3	-35.6	0	0	0	117.5
488	S	32.2	Very low	32.9	Very low	119 Å²	119	156.2 Å²	156.2	83%	0.832	81%	0.807	S	S	*	*			trans	85.6	148.7	171.3	81.9	0	0	0	0	115.5
489	S	34.4	Very low	32.6	Very low	111 Å²	111	157.7 Å²	157.7	78%	0.776	81%	0.806	S	S	*	*			cis	-135.9	-170.8	4.4	63.5	0	0	0	0	109.5
490	S	35.1	Very low	32.4	Very low	113 Å²	113	158.2 Å²	158.2	79%	0.79	81%	0.809	S	S	*	*			cis	-152.5	-147.6	12.1	-162.4	0	0	0	0	111.6
491	K	29.2	Very low	32.3	Very low	197 Å²	197	162.9 Å²	162.9	86%	0.857	82%	0.815	S	S	*	*			trans	-135.6	149.8	177.7	-61.9	171.2	180	172.4	0	112
492	R	32.5	Very low	31.7	Very low	251 Å²	251	164.6 Å²	164.6	95%	0.947	82%	0.82	S	S	*	*			trans	-160.1	133.1	134.4	-113	172.9	-173.2	179.6	2.2	111.4
493	S	27.9	Very low	31.5	Very low	95 Å²	95	167.1 Å²	167.1	66%	0.664	83%	0.825	S	S	*	*			trans	-107.2	149.9	177.4	53.4	0	0	0	0	110.5
494	F	30.2	Very low	31.3	Very low	209 Å²	209	164.1 Å²	164.1	92%	0.917	83%	0.825	S	S	*	*			trans	-128.5	130.5	157.9	-104.7	-91	0	0	0	110
495	F	26.5	Very low	31.1	Very low	198 Å²	198	163.2 Å²	163.2	87%	0.868	82%	0.821	S	S	*	*			trans	-106.2	130.8	173.8	-98.2	-89.3	0	0	0	109.4
496	S	33.6	Very low	31.3	Very low	119 Å²	119	158 Å²	158	83%	0.832	81%	0.805	S	S	*	*			trans	-170.9	150.5	150.4	65.5	0	0	0	0	106.1
497	S	32.1	Very low	31.5	Very low	108 Å²	108	157.3 Å²	157.3	76%	0.755	81%	0.807	S	S	*	*			cis	-169.2	150.4	-16.9	177.2	0	0	0	0	105
498	L	27.1	Very low	31.6	Very low	160 Å²	160	153.4 Å²	153.4	84%	0.838	78%	0.78	S	S	*	*			trans	-44.2	140.3	-173.1	-75.6	58.4	0	0	0	116.1
499	R	30	Very low	31.8	Very low	251 Å²	251	149.4 Å²	149.4	95%	0.947	75%	0.751	S	S	*	*				-151.6	116.3	123.4	-136.7	170.3	-174	171.9	2.5	113.2
500	K	28.6	Very low	31.9	Very low	199 Å²	199	148.5 Å²	148.5	87%	0.865	75%	0.75	S	S	*	*			trans	-63.9	136.1	170.2	-74.9	175.7	172.4	175.7	0	110.7
501	K	33.6	Very low	32	Very low	206 Å²	206	146.5 Å²	146.5	90%	0.896	75%	0.748	S	S	*	*			trans	-148.2	114.6	145.5	-96.4	-174.6	179.3	177.8	0	109
502	N	26.9	Very low	32.4	Very low	155 Å²	155	138.4 Å²	138.4	83%	0.829	71%	0.713	S	S	*	*			trans	-66.7	133.3	165	-76.4	3.7	0	0	0	109
503	K	32.3	Very low	32.4	Very low	187 Å²	187	131.2 Å²	131.2	81%	0.813	70%	0.702	S	S	*	*			trans	-169.5	109.8	150	-112.6	177.7	179.8	-173.2	0	108	Q505	K503-Q505 PolarHBondContact O-N 2.76Å
504	D	29.2	Very low	32.8	Very low	155 Å²	155	130.8 Å²	130.8	83%	0.829	69%	0.691	S	S	*	*			trans	-70.5	101.6	177.4	-58.3	-64.8	0	0	0	109.7
505	Q	30.8	Very low	32.6	Very low	154 Å²	154	125.7 Å²	125.7	72%	0.72	68%	0.682	S	S	*	*			trans	-135.4	142.4	163.8	-76.7	-171.8	-10.4	0	0	108	K503 T507	K503-Q505 PolarHBondContact O-N 2.76Å; Q505-T507 PolarHBondContact O-N 2.9Å; Q505-T507 PolarHBondContact O-OG1 2.82Å; Q505-T507 VanDerWaalsContact O-OG1 3.13Å
506	V	37.2	Very low	32.8	Very low	78 Å²	78	121.4 Å²	121.4	47%	0.473	67%	0.674	S	S	.	*			trans	-59.3	100	175.1	179.4	0	0	0	0	108.5	L508	V506-L508 PolarHBondContact O-N 2.77Å
507	T	36.3	Very low	32.8	Very low	128 Å²	128	120.9 Å²	120.9	79%	0.785	67%	0.67	S	S	*	*			trans	-84.1	103.1	-177.8	-57.8	0	0	0	0	107.6	Q505	Q505-T507 PolarHBondContact O-N 2.9Å; Q505-T507 PolarHBondContact O-OG1 2.82Å; Q505-T507 VanDerWaalsContact O-OG1 3.13Å
508	L	38.7	Very low	32.6	Very low	28 Å²	28	121.5 Å²	121.5	15%	0.147	67%	0.669	C	S	.	*	P	Polyproline II helix	trans	-56.7	151	171.2	-66	173.9	0	0	0	110	Y247 V506 A510 M512	Y247-L508 HydrophobicContact CD1-CD2 3.93Å; Y247-L508 HydrophobicContact CE1-CD2 3.76Å; V506-L508 PolarHBondContact O-N 2.77Å; L508-A510 PolarHBondContact O-N 3.3Å; L508-M512 HydrophobicContact CB-CB 4.15Å; L508-M512 VanDerWaalsContact CD1-O 3.3Å; L508-M512 WeakPolarHBondContact CD1-O 3.41Å
509	P	35.8	Very low	32.9	Very low	35 Å²	35	120.4 Å²	120.4	23%	0.227	66%	0.664	C	S	.	*	P	Polyproline II helix	trans	-50.8	139.7	176.4	-26.2	34.3	0	0	0	111.8	I209 G511 M512	I209-P509 HydrophobicContact CD1-CG 4.47Å; P509-G511 PolarHBondContact O-N 3.31Å; P509-G511 VanDerWaalsContact O-N 3.08Å; P509-M512 HydrophobicContact CB-SD 4.28Å; P509-M512 HydrophobicContact CG-SD 4.14Å; P509-M512 PolarHBondContact O-N 2.95Å
510	A	35.7	Very low	32.8	Very low	92 Å²	92	114.2 Å²	114.2	76%	0.76	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.6	118.8	179	0	0	0	0	0	110.3	L508	L508-A510 PolarHBondContact O-N 3.3Å
511	G	37.4	Very low	33	Very low	72 Å²	72	107.6 Å²	107.6	74%	0.742	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	116.9	-12.9	-171.1	0	0	0	0	0	115.1	P509	P509-G511 PolarHBondContact O-N 3.31Å; P509-G511 VanDerWaalsContact O-N 3.08Å
512	M	39.3	Very low	32.9	Very low	26 Å²	26	107.3 Å²	107.3	13%	0.128	64%	0.641	C	S	.	*			trans	-111.4	23.2	-176.9	-56.8	-177.3	79.2	0	0	114	Y199 Y247 L508 P509 I514	Y199-M512 HydrophobicContact CE1-CE 3.75Å; Y199-M512 HydrophobicContact CE1-SD 3.87Å; Y247-M512 WeakPolarHBondContact O-CE 3.38Å; L508-M512 HydrophobicContact CB-CB 4.15Å; L508-M512 VanDerWaalsContact CD1-O 3.3Å; L508-M512 WeakPolarHBondContact CD1-O 3.41Å; P509-M512 HydrophobicContact CB-SD 4.28Å; P509-M512 HydrophobicContact CG-SD 4.14Å; P509-M512 PolarHBondContact O-N 2.95Å; M512-I514 PolarHBondContact O-N 3.42Å
513	S	31.7	Very low	33.4	Very low	101 Å²	101	104.9 Å²	104.9	71%	0.706	63%	0.633	S	S	*	*			trans	-73.9	108.2	-179.8	-52.4	0	0	0	0	111.5	S515	S513-S515 PolarHBondContact O-N 3.46Å
514	I	36.2	Very low	33.6	Very low	86 Å²	86	102.1 Å²	102.1	44%	0.441	64%	0.635	S	S	.	*			trans	-79	97.8	175.2	-55.5	175.6	0	0	0	109.3	M512	M512-I514 PolarHBondContact O-N 3.42Å
515	S	26	Very low	34.1	Very low	102 Å²	102	99.5 Å²	99.5	71%	0.713	63%	0.629	S	S	*	*			trans	-77.9	124.8	160.3	45.3	0	0	0	0	109.1	S513 S517	S513-S515 PolarHBondContact O-N 3.46Å; S515-S517 PolarHBondContact O-N 2.96Å
516	P	30.4	Very low	34.3	Very low	108 Å²	108	98 Å²	98	70%	0.701	64%	0.635	S	S	*	*			trans	-64.6	120.1	176.9	26.7	-33.1	0	0	0	109.6	T518	P516-T518 VanDerWaalsContact C-N 3.32Å; P516-T518 PolarHBondContact O-N 3.46Å
517	S	32.9	Very low	34.3	Very low	108 Å²	108	102.8 Å²	102.8	76%	0.755	65%	0.652	S	S	*	*			trans	-78.2	76.1	-178.2	59.3	0	0	0	0	111.8	S515 N519	S515-S517 PolarHBondContact O-N 2.96Å; S517-N519 VanDerWaalsContact C-N 3.26Å; S517-N519 PolarHBondContact O-N 3.37Å; S517-N519 VanDerWaalsContact O-N 3.08Å
518	T	28.2	Very low	34.2	Very low	120 Å²	120	103 Å²	103	74%	0.736	65%	0.653	S	S	*	*			trans	-79.5	74.6	165.2	53.7	0	0	0	0	109.8	P516 S520	P516-T518 VanDerWaalsContact C-N 3.32Å; P516-T518 PolarHBondContact O-N 3.46Å; T518-S520 PolarHBondContact O-N 2.75Å; T518-S520 VanDerWaalsContact O-N 3.16Å
519	N	33.1	Very low	34.6	Very low	137 Å²	137	107.8 Å²	107.8	73%	0.733	69%	0.687	S	S	*	*			trans	-86.7	73.8	177.2	-91.6	-2.9	0	0	0	111.8	S517 A521	S517-N519 VanDerWaalsContact C-N 3.26Å; S517-N519 PolarHBondContact O-N 3.37Å; S517-N519 VanDerWaalsContact O-N 3.08Å; N519-A521 PolarHBondContact O-N 3.08Å
520	S	28.2	Very low	34.5	Very low	121 Å²	121	113.5 Å²	113.5	85%	0.846	72%	0.715	S	S	*	*			trans	-91.3	75.4	159.7	47.2	0	0	0	0	110	T518	T518-S520 PolarHBondContact O-N 2.75Å; T518-S520 VanDerWaalsContact O-N 3.16Å
521	A	32.8	Very low	34.9	Very low	61 Å²	61	115.9 Å²	115.9	50%	0.504	72%	0.721	S	S	.	*			trans	-110.3	117.9	177.8	0	0	0	0	0	111.2	N519	N519-A521 PolarHBondContact O-N 3.08Å
522	K	33	Very low	35	Very low	199 Å²	199	115.6 Å²	115.6	87%	0.865	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-62	150	172.6	-86.7	-179.6	172.8	178.3	0	111.1
523	P	37	Very low	35	Very low	104 Å²	104	120.2 Å²	120.2	68%	0.675	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-68.7	148.2	169.2	31.3	-34.8	0	0	0	110.7
524	P	36.7	Very low	35.6	Very low	129 Å²	129	121.3 Å²	121.3	84%	0.838	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-70.5	135.6	171.3	29.7	-33.2	0	0	0	110.6
525	S	38.4	Very low	36.3	Very low	101 Å²	101	122.6 Å²	122.6	71%	0.706	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-73.8	142.3	172.5	41.7	0	0	0	0	111.2	E527	S525-E527 PolarHBondContact O-N 3.25Å
526	S	35.5	Very low	37.4	Very low	123 Å²	123	123 Å²	123	86%	0.86	78%	0.777	S	S	*	*			trans	-78.5	113.8	172.1	52.3	0	0	0	0	110.7
527	E	36.7	Very low	38.2	Very low	178 Å²	178	126.2 Å²	126.2	83%	0.832	79%	0.788	S	S	*	*			trans	-112.5	126.7	166.9	-72.4	-172	162.3	0	0	110.5	S525	S525-E527 PolarHBondContact O-N 3.25Å
528	T	35.6	Very low	38.7	Very low	131 Å²	131	125.2 Å²	125.2	80%	0.804	79%	0.786	S	S	*	*			trans	-86.1	127.6	171.8	47.7	0	0	0	0	110.1
529	P	46.3	Very low	39.6	Very low	130 Å²	130	124.9 Å²	124.9	84%	0.844	79%	0.786	S	S	*	*			trans	-79.6	126.4	171.4	30.8	-30.8	0	0	0	110.4
530	N	34.5	Very low	40.4	Very low	155 Å²	155	124.4 Å²	124.4	83%	0.829	79%	0.789	S	S	*	*			trans	-133.7	91.3	177.2	-170.5	22.1	0	0	0	111.2
531	T	43.1	Very low	41.6	Very low	142 Å²	142	124.3 Å²	124.3	87%	0.871	79%	0.785	S	S	*	*			trans	-153.4	150.6	164.5	53.3	0	0	0	0	107.1
532	G	39.2	Very low	43.2	Very low	65 Å²	65	127.4 Å²	127.4	67%	0.67	80%	0.8	S	S	*	*			cis	164.3	118.6	-4.3	0	0	0	0	0	109.9
533	S	40.5	Very low	44.4	Very low	123 Å²	123	123.1 Å²	123.1	86%	0.86	79%	0.792	S	S	*	*			trans	52	112.1	166.6	62.9	0	0	0	0	120.8
534	S	43.2	Very low	44.6	Very low	124 Å²	124	127.4 Å²	127.4	87%	0.867	80%	0.803	S	S	*	*				-160.8	135.7	113.7	58	0	0	0	0	111
535	S	50.4	Low	45.3	Very low	113 Å²	113	125.8 Å²	125.8	79%	0.79	80%	0.801	S	S	*	*			trans	-119.6	-177.5	-174.7	-56.3	0	0	0	0	109.7
536	P	49.4	Very low	45.8	Very low	112 Å²	112	134.9 Å²	134.9	73%	0.727	83%	0.828	S	S	*	*				-128.6	171.6	-51.7	34.2	-19.9	0	0	0	111.7
537	N	46.8	Very low	46.3	Very low	174 Å²	174	135.5 Å²	135.5	93%	0.93	83%	0.826	S	S	*	*			trans	-157.8	126.3	146.4	-102	-29	0	0	0	110.2
538	A	43.5	Very low	46.8	Very low	88 Å²	88	133.2 Å²	133.2	73%	0.727	83%	0.826	S	S	*	*			trans	-108.9	163.8	171.7	0	0	0	0	0	108.4
539	P	47.3	Very low	47.5	Very low	112 Å²	112	133.3 Å²	133.3	73%	0.727	83%	0.827	S	S	*	*				-152.4	159.1	75.4	39.7	-20	0	0	0	118.2
540	T	51.4	Low	47.5	Very low	128 Å²	128	133.5 Å²	133.5	79%	0.785	83%	0.826	S	S	*	*			trans	55.9	125.5	146.2	49.6	0	0	0	0	122.9
541	P	52.8	Low	48.4	Very low	118 Å²	118	132.2 Å²	132.2	77%	0.766	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-95	165.2	161.4	38.9	-33.2	0	0	0	113
542	P	64.9	Low	48.7	Very low	126 Å²	126	131.5 Å²	131.5	82%	0.818	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-86.1	147	170.8	34.4	-33.3	0	0	0	112.7
543	P	59.1	Low	49.4	Very low	109 Å²	109	136.3 Å²	136.3	71%	0.708	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-100.5	153.2	177.7	37.2	-33.4	0	0	0	114.6
544	Q	40.7	Very low	50.1	Low	194 Å²	194	137.3 Å²	137.3	91%	0.907	83%	0.832	S	S	*	*			trans	52.8	127.5	144.4	-64.5	174.8	-6.5	0	0	121.2
545	A	51.4	Low	50.6	Low	96 Å²	96	138.4 Å²	138.4	79%	0.793	83%	0.829	S	S	*	*				-172.2	131.3	110.8	0	0	0	0	0	112.9
546	K	49.9	Very low	50.7	Low	291 Å²	291	140.7 Å²	140.7	100%	1.265	83%	0.832	S	S	*	*			trans	71.2	0	177	-65.7	-172.1	176.3	-178.5	0	117.4

Retrieved 546 of 546 residues in 255.8 ms (Link to these results)

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