A0A087X3H0_POEFO Loading...

Amine oxidase

AlphaFold DB , UniProt , Accession A0A087X3H0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 701 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	50.5	Low	54.4	Low	214 Å²	214	149.5 Å²	149.5	100%	1.054	69%	0.685	S	S	*	*				0	-41.6	0	-132.9	164.2	-168.1	0	0	111.7	E3	M1-E3 PolarHBondContact O-N 3.3Å
2	L	45.5	Very low	54.9	Low	147 Å²	147	149.3 Å²	149.3	77%	0.77	67%	0.674	S	S	*	*	H	α-helix	trans	-72.5	-16.1	179	-78.8	154.4	0	0	0	117.1
3	E	43.4	Very low	55.3	Low	170 Å²	170	149 Å²	149	79%	0.794	68%	0.675	S	S	*	*	H	α-helix	trans	-84.6	-27.1	175.1	-84.6	173	147.4	0	0	113.5	M1	M1-E3 PolarHBondContact O-N 3.3Å
4	R	49	Very low	55.9	Low	211 Å²	211	151.9 Å²	151.9	80%	0.796	68%	0.678	S	S	*	*	H	α-helix	trans	-75.2	-28.6	-177.7	-144.5	179.2	-81.7	-166	-3.1	111.9	T8	R4-T8 PolarHBondContact O-OG1 3.27Å
5	D	53.2	Low	56.2	Low	105 Å²	105	150.9 Å²	150.9	56%	0.561	68%	0.675	S	S	*	*	H	α-helix	trans	-76.7	-34.6	177.5	-67.7	-24	0	0	0	112.7	E7 T8 D9	D5-E7 VanDerWaalsContact C-N 3.33Å; D5-E7 PolarHBondContact O-N 2.86Å; D5-T8 PolarHBondContact O-N 3.01Å; D5-D9 PolarHBondContact O-N 3.1Å
6	R	56	Low	56.6	Low	187 Å²	187	152.9 Å²	152.9	71%	0.706	68%	0.676	S	S	*	*	H	α-helix	trans	-69.7	-28.3	178.2	-75.1	-177.2	175.4	-178	-0.6	113.6	R10	R6-R10 WeakPolarHBondContact O-CG 3.47Å; R6-R10 PolarHBondContact O-N 3.28Å
7	E	57.8	Low	56.7	Low	141 Å²	141	146.7 Å²	146.7	66%	0.659	67%	0.665	S	S	*	*	H	α-helix	trans	-76.6	-33.3	177.6	-157	127.3	-143.8	0	0	111.5	D5 Q11	D5-E7 VanDerWaalsContact C-N 3.33Å; D5-E7 PolarHBondContact O-N 2.86Å; E7-Q11 PolarHBondContact O-N 3.22Å
8	T	60.2	Low	56.9	Low	62 Å²	62	148.7 Å²	148.7	38%	0.38	67%	0.666	S	S	.	*	H	α-helix	trans	-71.2	-37.3	178.4	-44.8	0	0	0	0	111.9	R4 D5 Q11 R12	R4-T8 PolarHBondContact O-OG1 3.27Å; D5-T8 PolarHBondContact O-N 3.01Å; T8-Q11 PolarHBondContact O-N 2.91Å; T8-R12 PolarHBondContact O-N 3.43Å
9	D	61.4	Low	56.6	Low	101 Å²	101	148.3 Å²	148.3	54%	0.54	67%	0.666	S	S	.	*	H	α-helix	trans	-70.5	-37	175.1	-86.6	-19.9	0	0	0	112.9	D5 Q11 R12 E13	D5-D9 PolarHBondContact O-N 3.1Å; D9-Q11 VanDerWaalsContact C-N 3.29Å; D9-Q11 PolarHBondContact O-N 3.48Å; D9-R12 PolarHBondContact O-N 2.98Å; D9-E13 PolarHBondContact O-N 3.44Å; D9-E13 VanDerWaalsContact O-N 3.11Å
10	R	61	Low	56.7	Low	178 Å²	178	142.5 Å²	142.5	67%	0.672	65%	0.649	S	S	*	*	H	α-helix	trans	-66.2	-29.7	174.7	-76.3	179.6	-179.1	-180	1	113	R6 R14	R6-R10 WeakPolarHBondContact O-CG 3.47Å; R6-R10 PolarHBondContact O-N 3.28Å; R10-R14 WeakPolarHBondContact O-CG 3.27Å; R10-R14 PolarHBondContact O-N 3.42Å
11	Q	60.2	Low	56.4	Low	129 Å²	129	142.1 Å²	142.1	60%	0.603	65%	0.648	S	S	*	*	H	α-helix	trans	-71.3	-40.6	172.8	-100.3	179.9	-36	0	0	112	E7 T8 D9 E13 R14 E15	E7-Q11 PolarHBondContact O-N 3.22Å; T8-Q11 PolarHBondContact O-N 2.91Å; D9-Q11 VanDerWaalsContact C-N 3.29Å; D9-Q11 PolarHBondContact O-N 3.48Å; Q11-E13 PolarHBondContact O-N 3.5Å; Q11-R14 PolarHBondContact O-N 3.18Å; Q11-E15 PolarHBondContact O-N 2.71Å; Q11-E15 VanDerWaalsContact O-N 3.16Å
12	R	59.9	Low	56.4	Low	146 Å²	146	140.9 Å²	140.9	55%	0.551	63%	0.632	S	S	*	*	H	α-helix	trans	-66.4	-34.9	178.3	-74.5	177.8	175.8	-174.6	-0.7	113.4	T8 D9 R16	T8-R12 PolarHBondContact O-N 3.43Å; D9-R12 PolarHBondContact O-N 2.98Å; R12-R16 WeakPolarHBondContact O-CG 3.32Å; R12-R16 PolarHBondContact O-N 3.35Å
13	E	61.2	Low	56.4	Low	146 Å²	146	140.7 Å²	140.7	68%	0.682	63%	0.627	S	S	*	*	H	α-helix	trans	-70.1	-34.5	174.6	-74.6	-174.5	154	0	0	112.8	D9 Q11 G17	D9-E13 PolarHBondContact O-N 3.44Å; D9-E13 VanDerWaalsContact O-N 3.11Å; Q11-E13 PolarHBondContact O-N 3.5Å; E13-G17 PolarHBondContact O-N 3.44Å; E13-G17 VanDerWaalsContact O-N 3.16Å
14	R	63.7	Low	56.6	Low	190 Å²	190	141.5 Å²	141.5	72%	0.717	62%	0.623	S	S	*	*	H	α-helix	trans	-69.5	-32	176.1	-75.7	176.6	177.3	-176	0.3	113	R10 Q11 R18	R10-R14 WeakPolarHBondContact O-CG 3.27Å; R10-R14 PolarHBondContact O-N 3.42Å; Q11-R14 PolarHBondContact O-N 3.18Å; R14-R18 PolarHBondContact O-N 3.5Å
15	E	60.4	Low	56.4	Low	136 Å²	136	138.6 Å²	138.6	64%	0.636	62%	0.618	S	S	*	*	H	α-helix	trans	-73.2	-40.9	175.2	-75.5	-177.3	158.2	0	0	112.2	Q11 G17 R18 E19	Q11-E15 PolarHBondContact O-N 2.71Å; Q11-E15 VanDerWaalsContact O-N 3.16Å; E15-G17 VanDerWaalsContact C-N 3.33Å; E15-G17 PolarHBondContact O-N 3.17Å; E15-R18 PolarHBondContact O-N 2.86Å; E15-E19 PolarHBondContact O-N 3.42Å
16	R	61.7	Low	55.9	Low	184 Å²	184	143.8 Å²	143.8	69%	0.694	63%	0.63	S	S	*	*	H	α-helix	trans	-63.9	-35.4	175	-69.6	-176.2	-155.1	-177.1	6.9	113.1	R12 R18 G20	R12-R16 WeakPolarHBondContact O-CG 3.32Å; R12-R16 PolarHBondContact O-N 3.35Å; R16-R18 VanDerWaalsContact C-N 3.34Å; R16-G20 PolarHBondContact O-N 3.45Å
17	G	58.5	Low	55.3	Low	47 Å²	47	142.8 Å²	142.8	49%	0.485	63%	0.634	S	S	.	*	H	α-helix	trans	-64.6	-36.7	174.5	0	0	0	0	0	113.2	E13 E15 E21	E13-G17 PolarHBondContact O-N 3.44Å; E13-G17 VanDerWaalsContact O-N 3.16Å; E15-G17 VanDerWaalsContact C-N 3.33Å; E15-G17 PolarHBondContact O-N 3.17Å; G17-E21 PolarHBondContact O-N 3.48Å
18	R	60.1	Low	54.5	Low	182 Å²	182	146.8 Å²	146.8	69%	0.687	64%	0.642	S	S	*	*	H	α-helix	trans	-74.6	-29.7	179	-78.5	177.6	170.1	176.9	-2.4	113.5	R14 E15 R16 R22	R14-R18 PolarHBondContact O-N 3.5Å; E15-R18 PolarHBondContact O-N 2.86Å; R16-R18 VanDerWaalsContact C-N 3.34Å; R18-R22 WeakPolarHBondContact O-CG 3.35Å; R18-R22 PolarHBondContact O-N 3.32Å
19	E	52.5	Low	53.4	Low	141 Å²	141	146.6 Å²	146.6	66%	0.659	65%	0.653	S	S	*	*	H	α-helix	trans	-70.4	-41.9	172.6	-86.3	-177.4	150.4	0	0	112.1	E15 E21 R22 E23	E15-E19 PolarHBondContact O-N 3.42Å; E19-E21 VanDerWaalsContact C-N 3.26Å; E19-E21 PolarHBondContact O-N 2.88Å; E19-R22 PolarHBondContact O-N 2.87Å; E19-E23 PolarHBondContact O-N 3.39Å; E19-E23 VanDerWaalsContact O-N 3.14Å
20	G	57	Low	52.2	Low	33 Å²	33	150.5 Å²	150.5	34%	0.34	67%	0.668	S	S	.	*	H	α-helix	trans	-65.3	-26.1	177	0	0	0	0	0	114.3	R16 R24	R16-G20 PolarHBondContact O-N 3.45Å; G20-R24 WeakPolarHBondContact O-CG 3.49Å; G20-R24 PolarHBondContact O-N 2.88Å
21	E	51.2	Low	51	Low	135 Å²	135	147.5 Å²	147.5	63%	0.631	67%	0.674	S	S	*	*	H	α-helix	trans	-77.9	-36.9	175.1	-130	170.1	-169	0	0	112.2	G17 E19 E23 R24 E25	G17-E21 PolarHBondContact O-N 3.48Å; E19-E21 VanDerWaalsContact C-N 3.26Å; E19-E21 PolarHBondContact O-N 2.88Å; E21-E23 VanDerWaalsContact C-N 3.32Å; E21-E23 PolarHBondContact O-N 2.97Å; E21-R24 PolarHBondContact O-N 3.17Å; E21-E25 PolarHBondContact O-N 3.38Å
22	R	51.2	Low	49.6	Very low	187 Å²	187	150.9 Å²	150.9	71%	0.706	69%	0.687	S	S	*	*	H	α-helix	trans	-68.1	-29.3	174.9	-75.4	179.9	-179.1	-171.1	0.8	113.2	R18 E19 R26	R18-R22 WeakPolarHBondContact O-CG 3.35Å; R18-R22 PolarHBondContact O-N 3.32Å; E19-R22 PolarHBondContact O-N 2.87Å; R22-R26 PolarHBondContact O-N 2.83Å
23	E	45.3	Very low	48.2	Very low	144 Å²	144	153.5 Å²	153.5	67%	0.673	70%	0.702	S	S	*	*	H	α-helix	trans	-73.8	-37.6	176.3	-132	169.5	-166.9	0	0	111.8	E19 E21 E25 R26 E27	E19-E23 PolarHBondContact O-N 3.39Å; E19-E23 VanDerWaalsContact O-N 3.14Å; E21-E23 VanDerWaalsContact C-N 3.32Å; E21-E23 PolarHBondContact O-N 2.97Å; E23-E25 PolarHBondContact O-N 3.08Å; E23-R26 PolarHBondContact O-N 3.48Å; E23-E27 PolarHBondContact O-N 3.45Å
24	R	46.5	Very low	46.7	Very low	186 Å²	186	156.6 Å²	156.6	70%	0.702	71%	0.713	S	S	*	*	H	α-helix	trans	-71	-26.9	176.3	-73.1	179.9	-175	-171	2.6	114	G20 E21	G20-R24 WeakPolarHBondContact O-CG 3.49Å; G20-R24 PolarHBondContact O-N 2.88Å; E21-R24 PolarHBondContact O-N 3.17Å
25	E	46.1	Very low	45	Very low	151 Å²	151	150.9 Å²	150.9	71%	0.706	71%	0.713	S	S	*	*	H	α-helix	trans	-76.5	-28.3	173.2	-75.9	-170.6	151.2	0	0	112.8	E21 E23	E21-E25 PolarHBondContact O-N 3.38Å; E23-E25 PolarHBondContact O-N 3.08Å
26	R	41.8	Very low	43.4	Very low	214 Å²	214	151.4 Å²	151.4	81%	0.808	73%	0.725	S	S	*	*	H	α-helix	trans	-69.4	-33.3	174.6	-84.1	-179	171.5	175.9	-1.9	113.1	R22 E23	R22-R26 PolarHBondContact O-N 2.83Å; E23-R26 PolarHBondContact O-N 3.48Å
27	E	43.8	Very low	41.8	Very low	166 Å²	166	147.1 Å²	147.1	78%	0.776	72%	0.723	S	S	*	*	H	α-helix	trans	-75.1	-22.1	178.6	-72	-172.9	152.5	0	0	114	E23	E23-E27 PolarHBondContact O-N 3.45Å
28	R	41.3	Very low	40.3	Very low	224 Å²	224	155.8 Å²	155.8	85%	0.845	74%	0.741	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85	-7.1	179.5	-71	-177.6	-178.1	-177.7	1.2	114.5
29	G	36.3	Very low	38.8	Very low	58 Å²	58	151.6 Å²	151.6	60%	0.598	74%	0.74	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.8	0.3	-177.1	0	0	0	0	0	116.1
30	H	36.1	Very low	37.6	Very low	184 Å²	184	157 Å²	157	85%	0.852	75%	0.754	S	S	*	*	S	Bend	trans	-124.1	60.8	-174.1	-95.2	35.9	0	0	0	113.1
31	S	35.5	Very low	36.1	Very low	114 Å²	114	158.3 Å²	158.3	80%	0.797	77%	0.769	S	S	*	*			trans	-160.9	81.8	155.3	-167	0	0	0	0	111.5
32	K	32.6	Very low	36.4	Very low	201 Å²	201	157.8 Å²	157.8	87%	0.874	78%	0.777	S	S	*	*			trans	-160.9	102.1	158	-102.8	-176.7	-170.7	177.7	0	109.6
33	K	30.4	Very low	35.2	Very low	201 Å²	201	158 Å²	158	87%	0.874	79%	0.788	S	S	*	*				162.8	150.9	128	-91.4	177.8	179.6	-179.5	0	112.2
34	K	29.3	Very low	34.3	Very low	211 Å²	211	161.5 Å²	161.5	92%	0.917	80%	0.795	S	S	*	*			trans	86	107.4	179.8	-55	-179.4	178.1	-177.9	0	112.1
35	G	26.8	Very low	33.3	Very low	70 Å²	70	161.4 Å²	161.4	72%	0.722	80%	0.8	S	S	*	*			cis	101.7	120.7	22.2	0	0	0	0	0	109.4
36	V	27.7	Very low	32.3	Very low	147 Å²	147	157.3 Å²	157.3	89%	0.891	80%	0.798	S	S	*	*			trans	140.7	138.8	151.7	177.6	0	0	0	0	112.2
37	S	27.7	Very low	31.5	Very low	93 Å²	93	155.8 Å²	155.8	65%	0.65	80%	0.802	S	S	*	*			trans	-68.2	156.4	-172.4	54.3	0	0	0	0	115.9
38	R	27.8	Very low	30.6	Very low	229 Å²	229	150.8 Å²	150.8	86%	0.864	80%	0.796	S	S	*	*				171.3	136.4	113.5	-94.3	173.2	169.2	178.1	-3.2	112.8
39	S	28.4	Very low	29.9	Very low	94 Å²	94	149.3 Å²	149.3	66%	0.657	79%	0.792	S	S	*	*			trans	-13.1	144.9	154.2	57.6	0	0	0	0	117.6
40	W	26	Very low	29.4	Very low	254 Å²	254	154 Å²	154	96%	0.962	80%	0.802	S	S	*	*				-154.7	134.9	130	-89.5	92.9	0	0	0	110.4
41	G	25.9	Very low	28.9	Very low	62 Å²	62	150.5 Å²	150.5	64%	0.639	79%	0.788	S	S	*	*			trans	-82.9	-164	168.4	0	0	0	0	0	112.9
42	P	59	Low	28.4	Very low	123 Å²	123	154.7 Å²	154.7	80%	0.799	79%	0.787	S	S	*	*			trans	-102.4	163.9	-145.8	38.8	-33.6	0	0	0	114.1
43	M	25.4	Very low	28.1	Very low	192 Å²	192	154.3 Å²	154.3	95%	0.946	79%	0.788	S	S	*	*			trans	-149.9	138.5	159.6	-123.2	177.1	83	0	0	114
44	W	25.4	Very low	27.8	Very low	218 Å²	218	149.7 Å²	149.7	83%	0.826	79%	0.787	S	S	*	*			trans	-98.4	171.7	-174.7	-102.5	65.4	0	0	0	111.9
45	K	25.9	Very low	27.6	Very low	184 Å²	184	145.1 Å²	145.1	80%	0.8	78%	0.782	S	S	*	*			trans	79.6	140.6	155.8	-72	167	-172	-173.9	0	117.6
46	G	24.6	Very low	28	Very low	65 Å²	65	146.9 Å²	146.9	67%	0.67	78%	0.781	S	S	*	*			cis	-156.5	152.7	11.4	0	0	0	0	0	111.6
47	M	24.8	Very low	27.9	Very low	181 Å²	181	149 Å²	149	89%	0.892	78%	0.778	S	S	*	*				63	127.7	93.2	-75.8	166.5	68.6	0	0	113.5
48	G	25	Very low	28.1	Very low	62 Å²	62	149 Å²	149	64%	0.639	78%	0.775	S	S	*	*			cis	169.6	172.5	0.5	0	0	0	0	0	112.3
49	Y	26.8	Very low	28.2	Very low	192 Å²	192	147.3 Å²	147.3	75%	0.753	78%	0.777	S	S	*	*			trans	73.8	130	157.3	-67.5	-83.2	0	0	0	118.3	L51	Y49-L51 HydrophobicContact CD1-CD1 3.85Å; Y49-L51 HydrophobicContact CD1-CG 4.23Å; Y49-L51 HydrophobicContact CE1-CD1 4.04Å
50	I	26.2	Very low	28.1	Very low	158 Å²	158	152.2 Å²	152.2	81%	0.81	78%	0.783	S	S	*	*				-155.9	118.2	62.7	-75.7	163	0	0	0	108.5
51	L	26.2	Very low	28.1	Very low	110 Å²	110	146.8 Å²	146.8	58%	0.576	77%	0.772	S	S	*	*				50.7	137.2	90.9	-73.9	171.1	0	0	0	114.3	Y49	Y49-L51 HydrophobicContact CD1-CD1 3.85Å; Y49-L51 HydrophobicContact CD1-CG 4.23Å; Y49-L51 HydrophobicContact CE1-CD1 4.04Å
52	R	25.3	Very low	28.3	Very low	202 Å²	202	150.7 Å²	150.7	76%	0.762	78%	0.783	S	S	*	*			cis	-170.5	144.4	17.6	-100.1	160.5	-165.2	-138.1	4.3	107.2
53	H	25.9	Very low	27	Very low	192 Å²	192	151.2 Å²	151.2	89%	0.889	78%	0.784	S	S	*	*				178.9	103.3	127.5	-96.7	-53.3	0	0	0	110.1
54	A	24.1	Very low	27.5	Very low	104 Å²	104	147.9 Å²	147.9	86%	0.86	78%	0.775	S	S	*	*			trans	-149.4	116.9	158.7	0	0	0	0	0	107.7
55	S	25.2	Very low	27.9	Very low	116 Å²	116	144.2 Å²	144.2	81%	0.811	78%	0.776	S	S	*	*			trans	-94	152.4	167.9	-68.3	0	0	0	0	109.8
56	P	34.4	Very low	28.4	Very low	107 Å²	107	143.3 Å²	143.3	70%	0.695	78%	0.779	S	S	*	*			trans	-107.8	174	-169.3	34.8	-20.7	0	0	0	114.3
57	F	25.2	Very low	28.7	Very low	192 Å²	192	146.9 Å²	146.9	84%	0.842	78%	0.783	S	S	*	*			trans	106.4	152.7	162.8	-72.8	-78.6	0	0	0	118.1
58	P	33.8	Very low	29.4	Very low	91 Å²	91	142 Å²	142	59%	0.591	76%	0.764	S	S	*	*			cis	-130.1	151.7	-16.2	25	-3.6	0	0	0	115.1	Y60	P58-Y60 HydrophobicContact CB-CD2 4.18Å; P58-Y60 HydrophobicContact CB-CE2 4.3Å; P58-Y60 HydrophobicContact CG-CD2 4.26Å; P58-Y60 HydrophobicContact CG-CE2 4.39Å
59	H	28.1	Very low	29.9	Very low	195 Å²	195	148 Å²	148	90%	0.903	77%	0.773	S	S	*	*			trans	-65.1	131.3	156.1	-94.1	-69.5	0	0	0	110.5
60	Y	26.4	Very low	30.4	Very low	197 Å²	197	149.7 Å²	149.7	77%	0.773	78%	0.778	S	S	*	*			trans	-138.5	130.9	161.5	-96.9	-82.6	0	0	0	111.1	P58	P58-Y60 HydrophobicContact CB-CD2 4.18Å; P58-Y60 HydrophobicContact CB-CE2 4.3Å; P58-Y60 HydrophobicContact CG-CD2 4.26Å; P58-Y60 HydrophobicContact CG-CE2 4.39Å
61	L	27.4	Very low	31.1	Very low	139 Å²	139	146.9 Å²	146.9	73%	0.728	76%	0.764	S	S	*	*			trans	75.6	79.6	150.5	-71.4	149	0	0	0	119.9
62	T	29.6	Very low	31.6	Very low	144 Å²	144	146.5 Å²	146.5	88%	0.883	76%	0.762	S	S	*	*			trans	-146.3	80.1	138	31.5	0	0	0	0	109.6
63	T	31	Very low	32.4	Very low	134 Å²	134	140 Å²	140	82%	0.822	75%	0.751	S	S	*	*			trans	-154.7	65.4	169.8	-22.7	0	0	0	0	110.9
64	T	36.4	Very low	33	Very low	122 Å²	122	135 Å²	135	75%	0.748	74%	0.736	S	S	*	*			trans	-150.1	36.4	175	-13.7	0	0	0	0	114.9
65	V	34.7	Very low	33.6	Very low	141 Å²	141	134.3 Å²	134.3	86%	0.855	72%	0.718	S	S	*	*	S	Bend	trans	-150.9	81.4	161.6	-170.4	0	0	0	0	108.1
66	L	35.8	Very low	34.4	Very low	165 Å²	165	136.2 Å²	136.2	86%	0.864	71%	0.712	S	S	*	*	S	Bend	trans	172.5	54.5	159.7	-94.1	160.6	0	0	0	108.8
67	L	30.9	Very low	34.7	Very low	141 Å²	141	134.8 Å²	134.8	74%	0.738	71%	0.705	S	S	*	*			trans	-139.6	9.8	173.3	-131.5	97.3	0	0	0	117.9	I71	L67-I71 HydrophobicContact CD2-CD1 4.29Å
68	P	38.3	Very low	35.5	Very low	78 Å²	78	130.5 Å²	130.5	51%	0.506	69%	0.694	S	S	.	*	S	Bend	trans	-107	6.3	176.1	39.2	-32.7	0	0	0	116
69	F	36.1	Very low	35.7	Very low	187 Å²	187	132 Å²	132	82%	0.82	70%	0.697	S	S	*	*	H	α-helix	trans	-97.3	-22.3	-178.9	-88.5	-82.6	0	0	0	115.3
70	R	37.4	Very low	36.3	Very low	228 Å²	228	128.1 Å²	128.1	86%	0.86	69%	0.69	S	S	*	*	H	α-helix	trans	-93.8	-19.9	177.1	-83.2	-174.5	173.2	-174.3	-2.1	114.6
71	I	41.4	Very low	37.2	Very low	99 Å²	99	124.7 Å²	124.7	51%	0.508	69%	0.69	S	S	.	*	H	α-helix	trans	-86.9	-33	178	-63.8	171.5	0	0	0	111.1	L67 L75	L67-I71 HydrophobicContact CD2-CD1 4.29Å; I71-L75 HydrophobicContact CG2-CD1 4Å; I71-L75 PolarHBondContact O-N 2.87Å
72	L	37.5	Very low	38	Very low	103 Å²	103	126 Å²	126	54%	0.539	69%	0.694	S	S	.	*	H	α-helix	trans	-67.5	-37.3	173.6	-109.5	83.4	0	0	0	112.9	L75 F76	L72-L75 PolarHBondContact O-N 3.3Å; L72-F76 WeakPolarHBondContact O-CD2 3.46Å; L72-F76 PolarHBondContact O-N 3.48Å; L72-F76 VanDerWaalsContact O-N 3.08Å
73	A	40.7	Very low	38.8	Very low	66 Å²	66	123.6 Å²	123.6	55%	0.545	68%	0.679	S	S	.	*	H	α-helix	trans	-69.4	-31.6	179.1	0	0	0	0	0	113	S77	A73-S77 PolarHBondContact O-N 2.89Å
74	C	37.9	Very low	39.7	Very low	85 Å²	85	126.4 Å²	126.4	57%	0.574	68%	0.683	S	S	*	*	H	α-helix	trans	-75.7	-33	173.7	-87.6	0	0	0	0	113	S77 T78	C74-S77 PolarHBondContact O-OG 2.91Å; C74-T78 PolarHBondContact O-N 3.3Å; C74-T78 PolarHBondContact O-OG1 2.79Å
75	L	38.4	Very low	40.4	Very low	91 Å²	91	129 Å²	129	48%	0.476	69%	0.687	S	S	.	*	H	α-helix	trans	-72.4	-33.6	176	-82.6	158.3	0	0	0	112.6	I71 L72 L79	I71-L75 HydrophobicContact CG2-CD1 4Å; I71-L75 PolarHBondContact O-N 2.87Å; L72-L75 PolarHBondContact O-N 3.3Å; L75-L79 WeakPolarHBondContact O-CD1 3.36Å; L75-L79 PolarHBondContact O-N 3.5Å
76	F	41.5	Very low	41.6	Very low	156 Å²	156	134.3 Å²	134.3	68%	0.684	69%	0.691	S	S	*	*	H	α-helix	trans	-72.7	-27.1	176.6	-94.9	-89.8	0	0	0	113.8	L72	L72-F76 WeakPolarHBondContact O-CD2 3.46Å; L72-F76 PolarHBondContact O-N 3.48Å; L72-F76 VanDerWaalsContact O-N 3.08Å
77	S	41.2	Very low	42.6	Very low	77 Å²	77	129.8 Å²	129.8	54%	0.538	67%	0.666	S	S	.	*	H	α-helix	trans	-79.9	-26.1	175.7	70.9	0	0	0	0	113.2	A73 C74	A73-S77 PolarHBondContact O-N 2.89Å; C74-S77 PolarHBondContact O-OG 2.91Å
78	T	41.5	Very low	44.4	Very low	102 Å²	102	128 Å²	128	63%	0.626	66%	0.657	S	S	*	*	H	α-helix	trans	-88	-23	178	21.4	0	0	0	0	113.8	C74	C74-T78 PolarHBondContact O-N 3.3Å; C74-T78 PolarHBondContact O-OG1 2.79Å
79	L	38.7	Very low	45.8	Very low	123 Å²	123	127.8 Å²	127.8	64%	0.644	66%	0.658	S	S	*	*	G	3₁₀ helix	trans	-82.4	-12.6	173.8	-96.3	125.5	0	0	0	114.2	L75 V81	L75-L79 WeakPolarHBondContact O-CD1 3.36Å; L75-L79 PolarHBondContact O-N 3.5Å; L79-V81 VanDerWaalsContact C-N 3.3Å; L79-V81 PolarHBondContact O-N 3.42Å
80	C	39.8	Very low	47.6	Very low	113 Å²	113	125.2 Å²	125.2	76%	0.764	65%	0.652	S	S	*	*	G	3₁₀ helix	trans	-83.6	-0.2	-178.7	-129.8	0	0	0	0	114.3
81	V	44.7	Very low	49.3	Very low	125 Å²	125	117.6 Å²	117.6	76%	0.758	63%	0.63	S	S	*	*	G	3₁₀ helix	trans	-112.9	0.9	-177.4	-179.4	0	0	0	0	113.1	L79	L79-V81 VanDerWaalsContact C-N 3.3Å; L79-V81 PolarHBondContact O-N 3.42Å
82	M	44.3	Very low	50.8	Low	165 Å²	165	118 Å²	118	81%	0.813	63%	0.629	S	S	*	*	S	Bend	trans	-144.6	62.1	178	-83.3	-179	45.9	0	0	113.5
83	V	46.4	Very low	52.9	Low	94 Å²	94	120.8 Å²	120.8	57%	0.57	63%	0.632	S	S	*	*			trans	-155.8	71.4	146.5	-169.9	0	0	0	0	108.9	M87	V83-M87 HydrophobicContact CG1-CB 4.37Å; V83-M87 HydrophobicContact CG1-SD 4.18Å
84	E	49.4	Very low	54.8	Low	193 Å²	193	120.5 Å²	120.5	90%	0.902	63%	0.629	S	S	*	*			trans	-109	62.6	158.1	-162.1	172.4	-154.3	0	0	108.1
85	Q	51.4	Low	56.8	Low	178 Å²	178	121.2 Å²	121.2	83%	0.832	63%	0.627	S	S	*	*	S	Bend	trans	-165.5	114.7	163.4	-109.4	165.6	17.1	0	0	111	M87	Q85-M87 PolarHBondContact O-N 2.88Å
86	R	60.8	Low	58.8	Low	252 Å²	252	121 Å²	121	95%	0.951	63%	0.626	S	S	*	*			trans	33.3	66.8	164.8	-66.3	-170.3	-178.3	-172.3	1.7	117.5	N88	R86-N88 PolarHBondContact O-N 2.82Å
87	M	55.9	Low	61	Low	70 Å²	70	119 Å²	119	35%	0.345	62%	0.621	S	S	.	*			trans	-75.1	113.5	160.9	-141.4	164.6	68.8	0	0	109	V83 Q85 V91 K92 L95	V83-M87 HydrophobicContact CG1-CB 4.37Å; V83-M87 HydrophobicContact CG1-SD 4.18Å; Q85-M87 PolarHBondContact O-N 2.88Å; M87-V91 HydrophobicContact CG-CB 4.33Å; M87-V91 HydrophobicContact CG-CG1 4.05Å; M87-V91 HydrophobicContact SD-CG1 4.45Å; M87-K92 HydrophobicContact CB-CG 4.4Å; M87-K92 HydrophobicContact CE-CG 3.6Å; M87-L95 HydrophobicContact CE-CD1 3.78Å; M87-L95 HydrophobicContact SD-CD1 4.3Å
88	N	68.4	Low	63.2	Low	103 Å²	103	122.4 Å²	122.4	55%	0.551	63%	0.627	S	S	*	*			trans	-51.6	138	-179.6	-171.6	-15.5	0	0	0	110.6	R86 L90 V91 K92	R86-N88 PolarHBondContact O-N 2.82Å; N88-L90 PolarHBondContact O-N 3.21Å; N88-L90 VanDerWaalsContact O-N 3.1Å; N88-V91 HydrophobicContact CB-CG2 4.25Å; N88-V91 WeakPolarHBondContact O-CB 3.43Å; N88-V91 PolarHBondContact O-N 2.85Å; N88-K92 PolarHBondContact O-N 3.28Å
89	S	69.4	Low	65.3	Low	74 Å²	74	119.1 Å²	119.1	52%	0.517	61%	0.614	S	S	.	*	H	α-helix	trans	-51.7	-37.2	-177	-175.8	0	0	0	0	112.2	V91 K92 W93	S89-V91 PolarHBondContact O-N 2.81Å; S89-K92 PolarHBondContact O-N 3.39Å; S89-W93 VanDerWaalsContact O-CD1 3.24Å; S89-W93 PolarHBondContact O-N 2.76Å
90	L	72.9	Confident	67.7	Low	132 Å²	132	117.8 Å²	117.8	69%	0.691	61%	0.607	S	S	*	*	H	α-helix	trans	-60.4	-39.4	175	-83.1	159.1	0	0	0	113.4	N88 W93 A94	N88-L90 PolarHBondContact O-N 3.21Å; N88-L90 VanDerWaalsContact O-N 3.1Å; L90-W93 PolarHBondContact O-N 3.44Å; L90-A94 WeakPolarHBondContact O-CB 3.4Å; L90-A94 PolarHBondContact O-N 2.77Å
91	V	74.1	Confident	70.1	Confident	68 Å²	68	118.8 Å²	118.8	41%	0.412	60%	0.598	S	S	.	*	H	α-helix	trans	-72.3	-35.5	179.4	179.5	0	0	0	0	110.7	M87 N88 S89 A94 L95	M87-V91 HydrophobicContact CG-CB 4.33Å; M87-V91 HydrophobicContact CG-CG1 4.05Å; M87-V91 HydrophobicContact SD-CG1 4.45Å; N88-V91 HydrophobicContact CB-CG2 4.25Å; N88-V91 WeakPolarHBondContact O-CB 3.43Å; N88-V91 PolarHBondContact O-N 2.85Å; S89-V91 PolarHBondContact O-N 2.81Å; V91-A94 PolarHBondContact O-N 2.78Å; V91-L95 HydrophobicContact CG1-CD1 4.16Å; V91-L95 WeakPolarHBondContact O-CB 3.25Å; V91-L95 WeakPolarHBondContact O-CG 3.23Å; V91-L95 PolarHBondContact O-N 3.17Å
92	K	72.8	Confident	72.2	Confident	109 Å²	109	115.1 Å²	115.1	47%	0.474	58%	0.578	S	S	.	*	H	α-helix	trans	-63	-47.4	173.1	-70.4	-176.6	179.7	-174.5	0	111.4	M87 N88 S89 A94 L95 I96	M87-K92 HydrophobicContact CB-CG 4.4Å; M87-K92 HydrophobicContact CE-CG 3.6Å; N88-K92 PolarHBondContact O-N 3.28Å; S89-K92 PolarHBondContact O-N 3.39Å; K92-A94 PolarHBondContact O-N 3.32Å; K92-L95 PolarHBondContact O-N 2.77Å; K92-I96 VanDerWaalsContact O-CG1 3.27Å; K92-I96 WeakPolarHBondContact O-CG1 3.3Å; K92-I96 PolarHBondContact O-N 3.4Å
93	W	81.1	Confident	74.3	Confident	161 Å²	161	111.2 Å²	111.2	61%	0.61	56%	0.563	S	S	*	*	H	α-helix	trans	-65	-37.9	176.8	-80	110.5	0	0	0	112.5	S89 L90 I96 L97	S89-W93 VanDerWaalsContact O-CD1 3.24Å; S89-W93 PolarHBondContact O-N 2.76Å; L90-W93 PolarHBondContact O-N 3.44Å; W93-I96 PolarHBondContact O-N 2.64Å; W93-L97 WeakPolarHBondContact O-CB 3.32Å; W93-L97 WeakPolarHBondContact O-CG 3.33Å; W93-L97 PolarHBondContact O-N 3.5Å
94	A	81.3	Confident	76.3	Confident	59 Å²	59	111.3 Å²	111.3	49%	0.488	56%	0.56	S	S	.	*	H	α-helix	trans	-63.3	-42.5	174.9	0	0	0	0	0	112.4	L90 V91 K92 L97 F98	L90-A94 WeakPolarHBondContact O-CB 3.4Å; L90-A94 PolarHBondContact O-N 2.77Å; V91-A94 PolarHBondContact O-N 2.78Å; K92-A94 PolarHBondContact O-N 3.32Å; A94-L97 PolarHBondContact O-N 3.19Å; A94-F98 VanDerWaalsContact O-CB 3.3Å; A94-F98 WeakPolarHBondContact O-CB 3.42Å; A94-F98 PolarHBondContact O-N 3.19Å
95	L	78.6	Confident	78.3	Confident	100 Å²	100	105.8 Å²	105.8	52%	0.524	54%	0.536	S	S	.	.	H	α-helix	trans	-68	-37.8	176.5	-73.1	169.1	0	0	0	112.4	M87 V91 K92 F98 G99	M87-L95 HydrophobicContact CE-CD1 3.78Å; M87-L95 HydrophobicContact SD-CD1 4.3Å; V91-L95 HydrophobicContact CG1-CD1 4.16Å; V91-L95 WeakPolarHBondContact O-CB 3.25Å; V91-L95 WeakPolarHBondContact O-CG 3.23Å; V91-L95 PolarHBondContact O-N 3.17Å; K92-L95 PolarHBondContact O-N 2.77Å; L95-F98 PolarHBondContact O-N 2.93Å; L95-G99 PolarHBondContact O-N 2.69Å
96	I	81.7	Confident	79.7	Confident	88 Å²	88	101.2 Å²	101.2	45%	0.451	52%	0.517	S	S	.	.	H	α-helix	trans	-64.9	-45.5	174.6	-69.7	166.8	0	0	0	110.5	K92 W93 F98 G99 L100	K92-I96 VanDerWaalsContact O-CG1 3.27Å; K92-I96 WeakPolarHBondContact O-CG1 3.3Å; K92-I96 PolarHBondContact O-N 3.4Å; W93-I96 PolarHBondContact O-N 2.64Å; I96-F98 VanDerWaalsContact C-N 3.34Å; I96-F98 PolarHBondContact O-N 3.21Å; I96-G99 PolarHBondContact O-N 2.8Å; I96-L100 HydrophobicContact CG2-CD1 4.02Å; I96-L100 WeakPolarHBondContact O-CB 3.42Å; I96-L100 PolarHBondContact O-N 3.09Å
97	L	86.9	Confident	80.8	Confident	113 Å²	113	94.4 Å²	94.4	59%	0.592	50%	0.499	S	S	*	.	H	α-helix	trans	-63.3	-39.6	175.7	-82.7	162.9	0	0	0	111.9	W93 A94 L100 F101	W93-L97 WeakPolarHBondContact O-CB 3.32Å; W93-L97 WeakPolarHBondContact O-CG 3.33Å; W93-L97 PolarHBondContact O-N 3.5Å; A94-L97 PolarHBondContact O-N 3.19Å; L97-L100 PolarHBondContact O-N 2.86Å; L97-F101 VanDerWaalsContact O-CB 3.25Å; L97-F101 WeakPolarHBondContact O-CB 3.41Å; L97-F101 PolarHBondContact O-N 3.32Å
98	F	86.9	Confident	82.2	Confident	148 Å²	148	94.5 Å²	94.5	65%	0.649	50%	0.503	S	S	*	.	H	α-helix	trans	-65.9	-41	175.8	-169.1	-96.1	0	0	0	111.9	A94 L95 I96 F101 S102	A94-F98 VanDerWaalsContact O-CB 3.3Å; A94-F98 WeakPolarHBondContact O-CB 3.42Å; A94-F98 PolarHBondContact O-N 3.19Å; L95-F98 PolarHBondContact O-N 2.93Å; I96-F98 VanDerWaalsContact C-N 3.34Å; I96-F98 PolarHBondContact O-N 3.21Å; F98-F101 PolarHBondContact O-N 3.01Å; F98-S102 WeakPolarHBondContact O-CB 3.15Å; F98-S102 PolarHBondContact O-N 3.4Å
99	G	86.3	Confident	82.7	Confident	34 Å²	34	93.5 Å²	93.5	35%	0.351	50%	0.497	S	S	.	.	H	α-helix	trans	-62.2	-47.5	173.1	0	0	0	0	0	112.4	L95 I96 S102 V103	L95-G99 PolarHBondContact O-N 2.69Å; I96-G99 PolarHBondContact O-N 2.8Å; G99-S102 PolarHBondContact O-N 2.92Å; G99-V103 WeakPolarHBondContact O-CG2 3.18Å; G99-V103 PolarHBondContact O-N 3.09Å
100	L	87.9	Confident	83	Confident	95 Å²	95	95.1 Å²	95.1	50%	0.497	50%	0.499	S	S	.	.	H	α-helix	trans	-61.3	-44.9	175.7	-91.3	159.2	0	0	0	111.9	I96 L97 S102 V103 I104	I96-L100 HydrophobicContact CG2-CD1 4.02Å; I96-L100 WeakPolarHBondContact O-CB 3.42Å; I96-L100 PolarHBondContact O-N 3.09Å; L97-L100 PolarHBondContact O-N 2.86Å; L100-S102 VanDerWaalsContact C-N 3.35Å; L100-S102 PolarHBondContact O-N 3.23Å; L100-V103 PolarHBondContact O-N 3.31Å; L100-I104 WeakPolarHBondContact O-CB 3.37Å; L100-I104 VanDerWaalsContact O-CG1 3.23Å; L100-I104 WeakPolarHBondContact O-CG1 3.26Å; L100-I104 PolarHBondContact O-N 3.42Å
101	F	91.6	Very high	83.1	Confident	133 Å²	133	90.8 Å²	90.8	58%	0.583	49%	0.486	S	S	*	.	H	α-helix	trans	-62.2	-42.7	176.5	-176.6	-98.7	0	0	0	111.5	L97 F98 I104 L105	L97-F101 VanDerWaalsContact O-CB 3.25Å; L97-F101 WeakPolarHBondContact O-CB 3.41Å; L97-F101 PolarHBondContact O-N 3.32Å; F98-F101 PolarHBondContact O-N 3.01Å; F101-I104 PolarHBondContact O-N 2.8Å; F101-L105 HydrophobicContact CE1-CD2 4.28Å; F101-L105 WeakPolarHBondContact O-CB 3.27Å; F101-L105 PolarHBondContact O-N 3.21Å
102	S	87.8	Confident	83	Confident	48 Å²	48	92 Å²	92	34%	0.336	49%	0.489	S	S	.	.	H	α-helix	trans	-63.3	-41.5	175.7	-177.1	0	0	0	0	112.3	F98 G99 L100 L105 N106	F98-S102 WeakPolarHBondContact O-CB 3.15Å; F98-S102 PolarHBondContact O-N 3.4Å; G99-S102 PolarHBondContact O-N 2.92Å; L100-S102 VanDerWaalsContact C-N 3.35Å; L100-S102 PolarHBondContact O-N 3.23Å; S102-L105 PolarHBondContact O-N 2.98Å; S102-N106 WeakPolarHBondContact O-CB 3.28Å; S102-N106 PolarHBondContact O-N 3.19Å; S102-N106 PolarHBondContact O-ND2 3.03Å
103	V	87.9	Confident	82.3	Confident	83 Å²	83	93.1 Å²	93.1	50%	0.503	50%	0.496	S	S	.	.	H	α-helix	trans	-65.7	-46.3	176.2	170.7	0	0	0	0	110.9	G99 L100 N106 I107	G99-V103 WeakPolarHBondContact O-CG2 3.18Å; G99-V103 PolarHBondContact O-N 3.09Å; L100-V103 PolarHBondContact O-N 3.31Å; V103-N106 PolarHBondContact O-N 3.31Å; V103-I107 HydrophobicContact CG1-CD1 3.81Å; V103-I107 HydrophobicContact CG1-CG1 4.46Å; V103-I107 VanDerWaalsContact O-CG1 3.28Å; V103-I107 WeakPolarHBondContact O-CG1 3.23Å; V103-I107 PolarHBondContact O-N 2.83Å
104	I	90.1	Very high	81.1	Confident	96 Å²	96	89.6 Å²	89.6	49%	0.492	50%	0.496	S	S	.	.	H	α-helix	trans	-62.6	-44.9	177.2	-68.2	165.8	0	0	0	110.3	L100 F101 N106 I107 V108	L100-I104 WeakPolarHBondContact O-CB 3.37Å; L100-I104 VanDerWaalsContact O-CG1 3.23Å; L100-I104 WeakPolarHBondContact O-CG1 3.26Å; L100-I104 PolarHBondContact O-N 3.42Å; F101-I104 PolarHBondContact O-N 2.8Å; I104-N106 VanDerWaalsContact C-N 3.33Å; I104-N106 PolarHBondContact O-N 3.2Å; I104-I107 PolarHBondContact O-N 3.17Å; I104-V108 HydrophobicContact CG2-CG2 4.31Å; I104-V108 WeakPolarHBondContact O-CB 3.19Å; I104-V108 VanDerWaalsContact O-CG2 3.26Å; I104-V108 WeakPolarHBondContact O-CG2 3.41Å; I104-V108 PolarHBondContact O-N 3.41Å
105	L	90	Very high	79.6	Confident	77 Å²	77	89.9 Å²	89.9	40%	0.403	50%	0.504	S	S	.	.	H	α-helix	trans	-61.3	-41.8	176.9	-175.9	67.3	0	0	0	111.1	F101 S102 V108 L109	F101-L105 HydrophobicContact CE1-CD2 4.28Å; F101-L105 WeakPolarHBondContact O-CB 3.27Å; F101-L105 PolarHBondContact O-N 3.21Å; S102-L105 PolarHBondContact O-N 2.98Å; L105-V108 PolarHBondContact O-N 2.92Å; L105-L109 HydrophobicContact CD1-CD1 4.41Å; L105-L109 HydrophobicContact CD1-CG 4.45Å; L105-L109 HydrophobicContact CG-CD1 3.95Å; L105-L109 HydrophobicContact CG-CG 4.4Å; L105-L109 VanDerWaalsContact O-CB 3.27Å; L105-L109 WeakPolarHBondContact O-CB 3.42Å; L105-L109 WeakPolarHBondContact O-CG 2.99Å; L105-L109 PolarHBondContact O-N 2.9Å
106	N	82.2	Confident	78.1	Confident	83 Å²	83	93.8 Å²	93.8	44%	0.444	51%	0.512	S	S	.	.	H	α-helix	trans	-67	-39.5	174.9	-83.9	-74.6	0	0	0	112.2	S102 V103 I104 V108 L109 I110	S102-N106 WeakPolarHBondContact O-CB 3.28Å; S102-N106 PolarHBondContact O-N 3.19Å; S102-N106 PolarHBondContact O-ND2 3.03Å; V103-N106 PolarHBondContact O-N 3.31Å; I104-N106 VanDerWaalsContact C-N 3.33Å; I104-N106 PolarHBondContact O-N 3.2Å; N106-V108 VanDerWaalsContact C-N 3.33Å; N106-L109 PolarHBondContact O-N 3.38Å; N106-I110 VanDerWaalsContact O-CB 3.23Å; N106-I110 WeakPolarHBondContact O-CB 3.13Å; N106-I110 WeakPolarHBondContact O-CD1 3.3Å; N106-I110 WeakPolarHBondContact O-CG1 3.29Å; N106-I110 PolarHBondContact O-N 3.15Å
107	I	83.7	Confident	76.3	Confident	109 Å²	109	98 Å²	98	56%	0.559	53%	0.527	S	S	*	.	H	α-helix	trans	-63.6	-41.2	174.3	-69.8	167.5	0	0	0	110.6	V103 I104 G111	V103-I107 HydrophobicContact CG1-CD1 3.81Å; V103-I107 HydrophobicContact CG1-CG1 4.46Å; V103-I107 VanDerWaalsContact O-CG1 3.28Å; V103-I107 WeakPolarHBondContact O-CG1 3.23Å; V103-I107 PolarHBondContact O-N 2.83Å; I104-I107 PolarHBondContact O-N 3.17Å; I107-G111 PolarHBondContact O-N 3.33Å
108	V	83.9	Confident	74.3	Confident	71 Å²	71	98 Å²	98	43%	0.43	53%	0.534	S	S	.	.	H	α-helix	trans	-67.6	-44	176.4	169.7	0	0	0	0	110.8	I104 L105 N106 G111 I112	I104-V108 HydrophobicContact CG2-CG2 4.31Å; I104-V108 WeakPolarHBondContact O-CB 3.19Å; I104-V108 VanDerWaalsContact O-CG2 3.26Å; I104-V108 WeakPolarHBondContact O-CG2 3.41Å; I104-V108 PolarHBondContact O-N 3.41Å; L105-V108 PolarHBondContact O-N 2.92Å; N106-V108 VanDerWaalsContact C-N 3.33Å; V108-G111 CarbonylContact O-C 3.44Å; V108-G111 WeakPolarHBondContact O-CA 3.39Å; V108-G111 PolarHBondContact O-N 3.06Å; V108-G111 VanDerWaalsContact O-N 3.17Å; V108-I112 HydrophobicContact CG1-CD1 3.62Å; V108-I112 HydrophobicContact CG1-CG1 4.32Å; V108-I112 WeakPolarHBondContact O-CB 3.35Å; V108-I112 WeakPolarHBondContact O-CG1 3.35Å; V108-I112 PolarHBondContact O-N 3.46Å
109	L	78.6	Confident	72.1	Confident	83 Å²	83	100.7 Å²	100.7	44%	0.435	55%	0.545	S	S	.	.	H	α-helix	trans	-65.1	-40.9	176.2	-74.2	170.5	0	0	0	111.5	L105 N106 G111 I112 H113	L105-L109 HydrophobicContact CD1-CD1 4.41Å; L105-L109 HydrophobicContact CD1-CG 4.45Å; L105-L109 HydrophobicContact CG-CD1 3.95Å; L105-L109 HydrophobicContact CG-CG 4.4Å; L105-L109 VanDerWaalsContact O-CB 3.27Å; L105-L109 WeakPolarHBondContact O-CB 3.42Å; L105-L109 WeakPolarHBondContact O-CG 2.99Å; L105-L109 PolarHBondContact O-N 2.9Å; N106-L109 PolarHBondContact O-N 3.38Å; L109-G111 VanDerWaalsContact C-N 3.34Å; L109-I112 PolarHBondContact O-N 2.65Å; L109-H113 WeakPolarHBondContact O-CB 3.49Å; L109-H113 PolarHBondContact O-N 2.97Å
110	I	77.6	Confident	70.2	Confident	107 Å²	107	104.4 Å²	104.4	55%	0.549	56%	0.564	S	S	.	*	H	α-helix	trans	-65	-38.3	171.7	-69.6	165.1	0	0	0	109.9	N106 S114	N106-I110 VanDerWaalsContact O-CB 3.23Å; N106-I110 WeakPolarHBondContact O-CB 3.13Å; N106-I110 WeakPolarHBondContact O-CD1 3.3Å; N106-I110 WeakPolarHBondContact O-CG1 3.29Å; N106-I110 PolarHBondContact O-N 3.15Å; I110-S114 WeakPolarHBondContact O-CA 3.36Å; I110-S114 WeakPolarHBondContact O-CB 3.36Å; I110-S114 PolarHBondContact O-N 2.62Å; I110-S114 PolarHBondContact O-OG 3.32Å
111	G	73.9	Confident	68	Low	41 Å²	41	103.2 Å²	103.2	42%	0.423	56%	0.564	S	S	.	*	H	α-helix	trans	-62.1	-44.7	172	0	0	0	0	0	112.6	I107 V108 L109 G115	I107-G111 PolarHBondContact O-N 3.33Å; V108-G111 CarbonylContact O-C 3.44Å; V108-G111 WeakPolarHBondContact O-CA 3.39Å; V108-G111 PolarHBondContact O-N 3.06Å; V108-G111 VanDerWaalsContact O-N 3.17Å; L109-G111 VanDerWaalsContact C-N 3.34Å; G111-G115 PolarHBondContact O-N 3.32Å; G111-G115 VanDerWaalsContact O-N 3.09Å
112	I	71.9	Confident	65.9	Low	93 Å²	93	100.7 Å²	100.7	48%	0.477	58%	0.576	S	S	.	*	H	α-helix	trans	-69.5	-36.3	179.3	-68.1	167	0	0	0	111.5	V108 L109	V108-I112 HydrophobicContact CG1-CD1 3.62Å; V108-I112 HydrophobicContact CG1-CG1 4.32Å; V108-I112 WeakPolarHBondContact O-CB 3.35Å; V108-I112 WeakPolarHBondContact O-CG1 3.35Å; V108-I112 PolarHBondContact O-N 3.46Å; L109-I112 PolarHBondContact O-N 2.65Å
113	H	57.6	Low	64.3	Low	134 Å²	134	106.1 Å²	106.1	62%	0.62	60%	0.596	S	S	*	*	H	α-helix	trans	-88.4	-33.9	178.7	-100.1	52	0	0	0	114	L109 G115 R116	L109-H113 WeakPolarHBondContact O-CB 3.49Å; L109-H113 PolarHBondContact O-N 2.97Å; H113-G115 VanDerWaalsContact C-N 3.29Å; H113-G115 PolarHBondContact O-N 3.37Å; H113-R116 PolarHBondContact O-N 3.01Å
114	S	56.4	Low	63	Low	87 Å²	87	105.7 Å²	105.7	61%	0.608	59%	0.588	S	S	*	*	H	α-helix	trans	-72.3	-24.2	174.2	70.2	0	0	0	0	112.3	I110 R116	I110-S114 WeakPolarHBondContact O-CA 3.36Å; I110-S114 WeakPolarHBondContact O-CB 3.36Å; I110-S114 PolarHBondContact O-N 2.62Å; I110-S114 PolarHBondContact O-OG 3.32Å; S114-R116 VanDerWaalsContact C-N 3.29Å
115	G	50.6	Low	62	Low	64 Å²	64	105 Å²	105	66%	0.66	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.6	-16.2	169.7	0	0	0	0	0	114.1	G111 H113 K117	G111-G115 PolarHBondContact O-N 3.32Å; G111-G115 VanDerWaalsContact O-N 3.09Å; H113-G115 VanDerWaalsContact C-N 3.29Å; H113-G115 PolarHBondContact O-N 3.37Å; G115-K117 PolarHBondContact O-N 2.75Å
116	R	46	Very low	61.3	Low	182 Å²	182	107.3 Å²	107.3	69%	0.687	60%	0.597	S	S	*	*			trans	-92.8	78.6	170	-69.8	-176.2	-178.8	176.8	1.2	109	H113 S114	H113-R116 PolarHBondContact O-N 3.01Å; S114-R116 VanDerWaalsContact C-N 3.29Å
117	K	44.2	Very low	61.1	Low	176 Å²	176	112.6 Å²	112.6	77%	0.765	62%	0.619	S	S	*	*			trans	-47.1	131.9	150.9	-66.4	-176.1	179.9	-178.4	0	106.3	G115 K119	G115-K117 PolarHBondContact O-N 2.75Å; K117-K119 VanDerWaalsContact C-N 3.35Å; K117-K119 PolarHBondContact O-N 3.15Å
118	P	44.2	Very low	61.2	Low	113 Å²	113	110.1 Å²	110.1	73%	0.734	61%	0.606	S	S	*	*			trans	-53.3	112.8	163.3	20.1	-26.1	0	0	0	105.2	C120	P118-C120 PolarHBondContact O-N 2.85Å
119	K	41.4	Very low	61.1	Low	205 Å²	205	113.8 Å²	113.8	89%	0.891	62%	0.617	S	S	*	*			trans	-66.7	81.1	164.5	-73.6	-177.5	178.1	-178.6	0	104.1	K117 S121	K117-K119 VanDerWaalsContact C-N 3.35Å; K117-K119 PolarHBondContact O-N 3.15Å; K119-S121 PolarHBondContact O-N 3.03Å
120	C	45.7	Very low	61.6	Low	112 Å²	112	111.3 Å²	111.3	76%	0.757	61%	0.612	S	S	*	*			trans	-49.7	117.5	150.3	-67.1	0	0	0	0	103.3	P118 G122	P118-C120 PolarHBondContact O-N 2.85Å; C120-G122 VanDerWaalsContact C-N 3.26Å; C120-G122 PolarHBondContact O-N 3.48Å
121	S	41.8	Very low	62.3	Low	70 Å²	70	115.2 Å²	115.2	49%	0.49	62%	0.624	S	S	.	*			trans	-56.5	99.9	178.7	56	0	0	0	0	106.7	K119 Q123	K119-S121 PolarHBondContact O-N 3.03Å; S121-Q123 PolarHBondContact O-N 2.9Å; S121-Q123 VanDerWaalsContact O-N 3.13Å
122	G	47.9	Very low	63.4	Low	81 Å²	81	115.2 Å²	115.2	84%	0.835	61%	0.613	S	S	*	*			trans	-66	-2.8	166.3	0	0	0	0	0	111.2	C120	C120-G122 VanDerWaalsContact C-N 3.26Å; C120-G122 PolarHBondContact O-N 3.48Å
123	Q	53.9	Low	64.5	Low	161 Å²	161	112.5 Å²	112.5	75%	0.752	60%	0.6	S	S	*	*	S	Bend	trans	-81.1	123.8	166.6	-78.4	173.5	-39.1	0	0	109.2	S121 V125	S121-Q123 PolarHBondContact O-N 2.9Å; S121-Q123 VanDerWaalsContact O-N 3.13Å; Q123-V125 PolarHBondContact O-N 3.49Å
124	H	60.8	Low	66.3	Low	74 Å²	74	110.7 Å²	110.7	34%	0.343	60%	0.595	S	S	.	*			trans	-49.9	126.6	164.4	-64.6	-84.9	0	0	0	109	H126 K393 Y395	H124-H126 VanDerWaalsContact CB-O 3.24Å; H124-H126 WeakPolarHBondContact CB-O 3.2Å; H124-H126 PolarHBondContact O-N 2.89Å; H124-K393 PolarHBondContact CE1-O 3.49Å; H124-K393 PolarHBondContact ND1-O 2.7Å; H124-Y395 PolarHBondContact CE1-O 3.25Å
125	V	69.2	Low	68.3	Low	82 Å²	82	108.2 Å²	108.2	50%	0.497	57%	0.572	S	S	.	*	S	Bend	trans	-63.9	-30.3	174.7	179.4	0	0	0	0	110.2	Q123 E391	Q123-V125 PolarHBondContact O-N 3.49Å; V125-E391 HydrophobicContact CB-CB 4.31Å; V125-E391 HydrophobicContact CG2-CB 3.99Å; V125-E391 WeakPolarHBondContact CG2-O 3.13Å
126	H	75.4	Confident	70.5	Confident	126 Å²	126	105.5 Å²	105.5	58%	0.583	54%	0.543	S	S	*	.	S	Bend	trans	-121.8	144.7	-179.8	-55.7	-76.4	0	0	0	111.4	H124 E391	H124-H126 VanDerWaalsContact CB-O 3.24Å; H124-H126 WeakPolarHBondContact CB-O 3.2Å; H124-H126 PolarHBondContact O-N 2.89Å; H126-E391 IonicContact CD2-OE2 3.39Å; H126-E391 IonicContact NE2-OE2 2.8Å; H126-E391 PolarHBondContact NE2-OE2 3.17Å
127	Q	78.6	Confident	73	Confident	194 Å²	194	99.1 Å²	99.1	91%	0.907	52%	0.523	S	S	*	.			trans	-66.6	144.8	175.1	-68.6	-171.7	-0.8	0	0	111.6
128	L	84.7	Confident	75.5	Confident	56 Å²	56	91.2 Å²	91.2	29%	0.293	49%	0.489	S	S	.	.			trans	-64.8	143.6	170	-61.1	165.4	0	0	0	109.7	G130 L403	L128-G130 VanDerWaalsContact C-N 3.26Å; L128-G130 PolarHBondContact O-N 3.47Å; L128-L403 HydrophobicContact CD1-CD1 4.39Å
129	K	83.6	Confident	78.1	Confident	148 Å²	148	85.9 Å²	85.9	64%	0.643	45%	0.454	S	S	*	.	S	Bend	trans	-66.8	-27	175.8	-74.4	-176.8	171.1	-176.4	0	113.2	D406	K129-D406 VanDerWaalsContact CD-OD1 3.3Å; K129-D406 WeakPolarHBondContact CD-OD1 2.89Å; K129-D406 IonicContact NZ-OD1 3.37Å; K129-D406 PolarHBondContact NZ-OD1 2.72Å; K129-D406 IonicContact NZ-OD2 2.74Å; K129-D406 PolarHBondContact NZ-OD2 2.85Å
130	G	88.3	Confident	80.8	Confident	32 Å²	32	76.8 Å²	76.8	33%	0.33	42%	0.417	S	S	.	.	S	Bend	trans	-113	171.1	-177.7	0	0	0	0	0	113.3	L128	L128-G130 VanDerWaalsContact C-N 3.26Å; L128-G130 PolarHBondContact O-N 3.47Å
131	K	93.2	Very high	83.3	Confident	188 Å²	188	73 Å²	73	82%	0.817	39%	0.39	S	S	*	.			trans	-117.1	145.6	170	-63.7	-172.3	-176.5	-174.9	0	109.5
132	H	96.8	Very high	86	Confident	41 Å²	41	70 Å²	70	19%	0.19	37%	0.368	C	S	.	.			trans	-63.8	149.9	173.8	-76	-67.7	0	0	0	110.6	S396 Q398 H401	H132-S396 PolarHBondContact CE1-O 3.41Å; H132-S396 WeakPolarHBondContact NE2-CB 3.49Å; H132-S396 PolarHBondContact NE2-OG 2.95Å; H132-Q398 HydrophobicContact CB-CB 4.11Å; H132-Q398 VanDerWaalsContact CB-OE1 3.23Å; H132-Q398 PolarHBondContact CD2-OE1 3.07Å; H132-Q398 PolarHBondContact CE1-N 3.17Å; H132-H401 WeakPolarHBondContact CA-ND1 3.45Å; H132-H401 PolarHBondContact CE1-O 3.29Å; H132-H401 VanDerWaalsContact CE1-O 3.28Å; H132-H401 AromaticContact CG-ND1 3.82Å; H132-H401 AromaticContact ND1-CG 3.76Å; H132-H401 AromaticContact ND1-ND1 3.07Å; H132-H401 PolarHBondContact ND1-ND1 2.84Å
133	D	94.4	Very high	88.4	Confident	36 Å²	36	69 Å²	69	19%	0.193	35%	0.346	C	S	.	.			trans	-136.6	104.6	-171.4	-173.4	-1.3	0	0	0	110.5	R135 S136 H401	D133-R135 VanDerWaalsContact CG-NE 3.3Å; D133-R135 PolarHBondContact O-N 3.3Å; D133-R135 WeakPolarHBondContact OD1-CB 3.5Å; D133-R135 VanDerWaalsContact OD1-CG 3.27Å; D133-R135 WeakPolarHBondContact OD1-CG 3.45Å; D133-R135 IonicContact OD1-CZ 2.76Å; D133-R135 PolarHBondContact OD1-N 2.77Å; D133-R135 IonicContact OD1-NE 2.83Å; D133-R135 PolarHBondContact OD1-NE 3.04Å; D133-R135 IonicContact OD1-NH2 3.57Å; D133-R135 IonicContact OD2-CZ 3.17Å; D133-R135 IonicContact OD2-NE 3.82Å; D133-R135 PolarHBondContact OD2-NE 3.08Å; D133-R135 IonicContact OD2-NH2 2.96Å; D133-R135 PolarHBondContact OD2-NH2 3.47Å; D133-S136 WeakPolarHBondContact O-CB 3.32Å; D133-S136 PolarHBondContact O-N 3.05Å; D133-S136 PolarHBondContact O-OG 2.8Å; D133-H401 PolarHBondContact N-ND1 3.43Å
134	D	95.9	Very high	90.5	Very high	97 Å²	97	64.8 Å²	64.8	52%	0.519	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	-57.1	-11.6	-179.4	-59	-7.2	0	0	0	113.5	S136 L137	D134-S136 PolarHBondContact O-N 3.31Å; D134-L137 HydrophobicContact CB-CD1 4.12Å; D134-L137 VanDerWaalsContact O-CB 3.25Å; D134-L137 WeakPolarHBondContact O-CB 3.4Å; D134-L137 VanDerWaalsContact O-CG 3.26Å; D134-L137 WeakPolarHBondContact O-CG 3.38Å; D134-L137 PolarHBondContact O-N 2.96Å; D134-L137 VanDerWaalsContact O-N 3.16Å
135	R	97.2	Very high	92.3	Very high	34 Å²	34	66.4 Å²	66.4	13%	0.128	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-65	-20.2	171.3	-61.1	178.1	-76.8	164.9	4.3	112.5	D133 L137 V138 Y191 L192 R194	D133-R135 VanDerWaalsContact CG-NE 3.3Å; D133-R135 PolarHBondContact O-N 3.3Å; D133-R135 WeakPolarHBondContact OD1-CB 3.5Å; D133-R135 VanDerWaalsContact OD1-CG 3.27Å; D133-R135 WeakPolarHBondContact OD1-CG 3.45Å; D133-R135 IonicContact OD1-CZ 2.76Å; D133-R135 PolarHBondContact OD1-N 2.77Å; D133-R135 IonicContact OD1-NE 2.83Å; D133-R135 PolarHBondContact OD1-NE 3.04Å; D133-R135 IonicContact OD1-NH2 3.57Å; D133-R135 IonicContact OD2-CZ 3.17Å; D133-R135 IonicContact OD2-NE 3.82Å; D133-R135 PolarHBondContact OD2-NE 3.08Å; D133-R135 IonicContact OD2-NH2 2.96Å; D133-R135 PolarHBondContact OD2-NH2 3.47Å; R135-L137 PolarHBondContact O-N 3.29Å; R135-V138 WeakPolarHBondContact O-CG2 3.28Å; R135-V138 PolarHBondContact O-N 3.3Å; R135-Y191 HydrophobicContact CB-CD1 4.15Å; R135-Y191 HydrophobicContact CB-CE1 3.54Å; R135-Y191 HydrophobicContact CG-CD1 4.31Å; R135-Y191 HydrophobicContact CG-CE1 3.6Å; R135-Y191 HydrophobicContact CG-CE2 4.17Å; R135-L192 HydrophobicContact CB-CD2 4.01Å; R135-L192 PolarHBondContact NH1-O 3.41Å; R135-R194 VanDerWaalsContact NH1-NE 3.19Å
136	S	97.4	Very high	93.7	Very high	8 Å²	8	63.5 Å²	63.5	6%	0.056	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-58.2	-26.7	170.7	70.9	0	0	0	0	113.2	D133 D134 V138 F139 N400	D133-S136 WeakPolarHBondContact O-CB 3.32Å; D133-S136 PolarHBondContact O-N 3.05Å; D133-S136 PolarHBondContact O-OG 2.8Å; D134-S136 PolarHBondContact O-N 3.31Å; S136-V138 PolarHBondContact O-N 2.84Å; S136-V138 VanDerWaalsContact O-N 3.1Å; S136-F139 WeakPolarHBondContact O-CB 3.46Å; S136-F139 PolarHBondContact O-N 2.97Å; S136-N400 WeakPolarHBondContact CB-OD1 3.44Å; S136-N400 PolarHBondContact O-ND2 2.6Å; S136-N400 PolarHBondContact O-OD1 2.81Å; S136-N400 PolarHBondContact OG-OD1 3.11Å
137	L	97.8	Very high	94.8	Very high	48 Å²	48	57.6 Å²	57.6	25%	0.251	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-66.2	-13.6	-174.2	-62.6	174.8	0	0	0	113.4	D134 R135 F139 A140 R201 D399	D134-L137 HydrophobicContact CB-CD1 4.12Å; D134-L137 VanDerWaalsContact O-CB 3.25Å; D134-L137 WeakPolarHBondContact O-CB 3.4Å; D134-L137 VanDerWaalsContact O-CG 3.26Å; D134-L137 WeakPolarHBondContact O-CG 3.38Å; D134-L137 PolarHBondContact O-N 2.96Å; D134-L137 VanDerWaalsContact O-N 3.16Å; R135-L137 PolarHBondContact O-N 3.29Å; L137-F139 PolarHBondContact O-N 3.5Å; L137-A140 HydrophobicContact CD2-CB 4.15Å; L137-A140 PolarHBondContact O-N 3.18Å; L137-R201 PolarHBondContact O-NH1 3.17Å; L137-R201 VanDerWaalsContact O-NH1 3.16Å; L137-D399 HydrophobicContact CD2-CB 3.65Å
138	V	98.1	Very high	95.7	Very high	10 Å²	10	50.9 Å²	50.9	6%	0.061	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-64	-19.3	170.3	-58.2	0	0	0	0	112.3	R135 S136 P183 Y191 K198	R135-V138 WeakPolarHBondContact O-CG2 3.28Å; R135-V138 PolarHBondContact O-N 3.3Å; S136-V138 PolarHBondContact O-N 2.84Å; S136-V138 VanDerWaalsContact O-N 3.1Å; V138-P183 HydrophobicContact CB-CG 4.37Å; V138-Y191 HydrophobicContact CG1-CD1 3.63Å; V138-Y191 HydrophobicContact CG1-CE1 3.44Å; V138-Y191 VanDerWaalsContact CG1-CE1 3.44Å; V138-K198 HydrophobicContact CG1-CG 4.3Å
139	F	98.5	Very high	96.4	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-106.3	-6	177	-53.4	-62.6	0	0	0	113.8	S136 L137 D141 L182 P183 A188 L192 A410 F422 D423 Y433	S136-F139 WeakPolarHBondContact O-CB 3.46Å; S136-F139 PolarHBondContact O-N 2.97Å; L137-F139 PolarHBondContact O-N 3.5Å; F139-D141 PolarHBondContact O-N 2.91Å; F139-L182 HydrophobicContact CD1-CD2 4.18Å; F139-P183 HydrophobicContact CE1-CG 4.5Å; F139-A188 HydrophobicContact CE1-CB 4.42Å; F139-A188 HydrophobicContact CZ-CB 4.24Å; F139-L192 HydrophobicContact CE2-CD1 3.82Å; F139-L192 HydrophobicContact CE2-CD2 4.23Å; F139-L192 HydrophobicContact CZ-CD1 3.85Å; F139-A410 HydrophobicContact CB-CB 4.37Å; F139-A410 HydrophobicContact CD2-CB 3.96Å; F139-F422 HydrophobicContact CB-CB 4.25Å; F139-F422 HydrophobicContact CB-CD2 3.56Å; F139-F422 HydrophobicContact CB-CE2 3.99Å; F139-F422 HydrophobicContact CB-CG 4Å; F139-F422 HydrophobicContact CD1-CB 3.96Å; F139-F422 AromaticContact CD1-CD1 3.76Å; F139-F422 HydrophobicContact CD1-CD1 3.76Å; F139-F422 HydrophobicContact CD1-CD2 4Å; F139-F422 HydrophobicContact CD1-CE1 4.15Å; F139-F422 HydrophobicContact CD1-CE2 4.35Å; F139-F422 AromaticContact CD1-CG 3.65Å; F139-F422 HydrophobicContact CD1-CG 3.65Å; F139-F422 HydrophobicContact CD1-CZ 4.4Å; F139-F422 HydrophobicContact CD2-CB 3.57Å; F139-F422 HydrophobicContact CD2-CD2 4.48Å; F139-F422 HydrophobicContact CD2-CG 4.12Å; F139-F422 HydrophobicContact CE1-CB 4.16Å; F139-F422 AromaticContact CE1-CD1 3.92Å; F139-F422 HydrophobicContact CE1-CD1 3.92Å; F139-F422 HydrophobicContact CE1-CE1 4.49Å; F139-F422 HydrophobicContact CE1-CG 4.1Å; F139-F422 HydrophobicContact CE2-CB 3.77Å; F139-F422 HydrophobicContact CG-CB 3.66Å; F139-F422 HydrophobicContact CG-CD1 4.25Å; F139-F422 AromaticContact CG-CD2 3.78Å; F139-F422 HydrophobicContact CG-CD2 3.78Å; F139-F422 HydrophobicContact CG-CE2 4.4Å; F139-F422 AromaticContact CG-CG 3.66Å; F139-F422 HydrophobicContact CG-CG 3.66Å; F139-F422 HydrophobicContact CZ-CB 4.06Å; F139-F422 HydrophobicContact CZ-CG 4.49Å; F139-D423 HydrophobicContact CE2-CB 4.25Å; F139-Y433 HydrophobicContact CE1-CE2 4.3Å; F139-Y433 AromaticContact CE1-CZ 3.99Å; F139-Y433 WeakPolarHBondContact CE1-OH 3.47Å; F139-Y433 AromaticContact CZ-CE2 3.92Å; F139-Y433 HydrophobicContact CZ-CE2 3.92Å
140	A	98.3	Very high	97.1	Very high	14 Å²	14	43.8 Å²	43.8	12%	0.116	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-64.6	132.6	-179.8	0	0	0	0	0	109.2	L137 L180 R201 N400	L137-A140 HydrophobicContact CD2-CB 4.15Å; L137-A140 PolarHBondContact O-N 3.18Å; A140-L180 VanDerWaalsContact O-CD2 3.32Å; A140-L180 WeakPolarHBondContact O-CD2 3.42Å; A140-R201 VanDerWaalsContact O-CZ 3.29Å; A140-R201 PolarHBondContact O-NH1 3.36Å; A140-R201 PolarHBondContact O-NH2 3.49Å; A140-N400 WeakPolarHBondContact CA-ND2 3.46Å; A140-N400 HydrophobicContact CB-CB 4.02Å; A140-N400 PolarHBondContact N-ND2 2.88Å; A140-N400 VanDerWaalsContact N-ND2 3.18Å
141	D	98.1	Very high	97.5	Very high	34 Å²	34	43 Å²	43	18%	0.182	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-56.7	163.1	172.7	-55.9	-41.3	0	0	0	110.6	F139 T143 R201 G412 L413 R420	F139-D141 PolarHBondContact O-N 2.91Å; D141-T143 PolarHBondContact O-N 3.01Å; D141-R201 PolarHBondContact O-NH2 3.04Å; D141-G412 VanDerWaalsContact OD2-CA 3.28Å; D141-G412 WeakPolarHBondContact OD2-CA 3.48Å; D141-L413 PolarHBondContact OD1-N 3.42Å; D141-L413 PolarHBondContact OD2-N 3.26Å; D141-R420 IonicContact OD1-CZ 3.94Å; D141-R420 IonicContact OD1-NE 3.18Å; D141-R420 IonicContact OD1-NH2 2.65Å; D141-R420 PolarHBondContact OD1-NH2 2.59Å
142	L	98.4	Very high	97.8	Very high	5 Å²	5	39 Å²	39	3%	0.026	20%	0.197	C	C	.	.	P	Polyproline II helix	trans	-65.2	137.8	-177	-60	179.6	0	0	0	110.8	E146 Y147 I178 L180 A203 L223	L142-E146 WeakPolarHBondContact CA-OE2 3.4Å; L142-E146 HydrophobicContact CB-CB 4.16Å; L142-E146 HydrophobicContact CD2-CB 4.29Å; L142-Y147 HydrophobicContact CB-CD1 4.26Å; L142-Y147 HydrophobicContact CB-CD2 3.89Å; L142-Y147 HydrophobicContact CB-CE1 4.04Å; L142-Y147 HydrophobicContact CB-CE2 3.68Å; L142-Y147 HydrophobicContact CB-CG 4.18Å; L142-Y147 HydrophobicContact CD1-CD1 3.96Å; L142-Y147 HydrophobicContact CD1-CE1 3.71Å; L142-Y147 HydrophobicContact CG-CE1 4.39Å; L142-Y147 WeakPolarHBondContact O-CE2 3.22Å; L142-I178 HydrophobicContact CD1-CG2 3.77Å; L142-L180 HydrophobicContact CD2-CB 4.41Å; L142-L180 HydrophobicContact CD2-CD1 3.88Å; L142-L180 HydrophobicContact CG-CB 4.25Å; L142-A203 HydrophobicContact CD1-CB 3.85Å; L142-L223 HydrophobicContact CD2-CD1 3.47Å; L142-L223 VanDerWaalsContact CD2-CD1 3.47Å
143	T	97.8	Very high	97.9	Very high	61 Å²	61	38.5 Å²	38.5	37%	0.374	19%	0.194	S	C	.	.	P	Polyproline II helix	trans	-71.9	167.3	171.4	81.5	0	0	0	0	110.6	D141 E145 E146 Y147	D141-T143 PolarHBondContact O-N 3.01Å; T143-E145 WeakPolarHBondContact CB-OE2 3.49Å; T143-E145 PolarHBondContact O-N 3.19Å; T143-E145 PolarHBondContact OG1-N 2.83Å; T143-E145 PolarHBondContact OG1-OE2 2.94Å; T143-E146 PolarHBondContact N-OE2 3.4Å; T143-E146 PolarHBondContact O-N 3.33Å; T143-E146 PolarHBondContact OG1-N 3.47Å; T143-Y147 VanDerWaalsContact O-CD2 3.24Å; T143-Y147 WeakPolarHBondContact O-CD2 3.47Å; T143-Y147 PolarHBondContact O-N 3.39Å
144	Q	97.5	Very high	98	Very high	73 Å²	73	36.8 Å²	36.8	34%	0.341	19%	0.185	S	C	.	.	H	α-helix	trans	-55.8	-41.9	174.3	-174.1	177.8	-0.7	0	0	111.7	Y147 L148 Y486 P494	Q144-Y147 PolarHBondContact O-N 3.49Å; Q144-L148 HydrophobicContact CG-CD1 4.36Å; Q144-L148 WeakPolarHBondContact O-CG 3.17Å; Q144-L148 PolarHBondContact O-N 3.15Å; Q144-Y486 HydrophobicContact CB-CD1 3.81Å; Q144-Y486 HydrophobicContact CB-CE1 3.72Å; Q144-Y486 HydrophobicContact CB-CE2 4.47Å; Q144-Y486 HydrophobicContact CB-CG 4.23Å; Q144-Y486 HydrophobicContact CG-CD1 4.04Å; Q144-Y486 HydrophobicContact CG-CE1 3.91Å; Q144-P494 HydrophobicContact CG-CG 4.33Å
145	E	98.3	Very high	98.1	Very high	107 Å²	107	35.2 Å²	35.2	50%	0.5	18%	0.176	S	C	.	.	H	α-helix	trans	-66	-43.5	179	-61	69.9	-151.8	0	0	111.3	T143 Y147 L148 Q149	T143-E145 WeakPolarHBondContact CB-OE2 3.49Å; T143-E145 PolarHBondContact O-N 3.19Å; T143-E145 PolarHBondContact OG1-N 2.83Å; T143-E145 PolarHBondContact OG1-OE2 2.94Å; E145-Y147 PolarHBondContact O-N 2.85Å; E145-L148 PolarHBondContact O-N 2.99Å; E145-Q149 WeakPolarHBondContact O-CB 3.38Å; E145-Q149 WeakPolarHBondContact O-CG 3.35Å; E145-Q149 PolarHBondContact O-N 3.38Å; E145-Q149 PolarHBondContact O-OE1 3.09Å
146	E	98.6	Very high	98.1	Very high	21 Å²	21	41.3 Å²	41.3	10%	0.098	20%	0.203	C	C	.	.	H	α-helix	trans	-63.1	-42.3	177.4	-69.4	-178	133.7	0	0	111.5	L142 T143 L148 Q149 V150 R201 L223	L142-E146 WeakPolarHBondContact CA-OE2 3.4Å; L142-E146 HydrophobicContact CB-CB 4.16Å; L142-E146 HydrophobicContact CD2-CB 4.29Å; T143-E146 PolarHBondContact N-OE2 3.4Å; T143-E146 PolarHBondContact O-N 3.33Å; T143-E146 PolarHBondContact OG1-N 3.47Å; E146-L148 PolarHBondContact O-N 3.1Å; E146-Q149 PolarHBondContact O-N 2.86Å; E146-V150 WeakPolarHBondContact O-CG2 3.09Å; E146-V150 PolarHBondContact O-N 2.93Å; E146-R201 VanDerWaalsContact OE1-CD 3.31Å; E146-R201 WeakPolarHBondContact OE1-CD 3.4Å; E146-R201 IonicContact OE1-CZ 3.48Å; E146-R201 IonicContact OE1-NE 3.74Å; E146-R201 PolarHBondContact OE1-NE 2.87Å; E146-R201 IonicContact OE1-NH2 2.67Å; E146-R201 IonicContact OE2-CZ 3.19Å; E146-R201 IonicContact OE2-NE 2.69Å; E146-R201 PolarHBondContact OE2-NE 2.97Å; E146-R201 IonicContact OE2-NH2 3.19Å; E146-R201 PolarHBondContact OE2-NH2 3.44Å; E146-L223 HydrophobicContact CB-CD1 4.46Å; E146-L223 HydrophobicContact CB-CD2 4.5Å
147	Y	98.6	Very high	98.2	Very high	2 Å²	2	42.9 Å²	42.9	1%	0.008	21%	0.21	C	C	.	.	H	α-helix	trans	-57.6	-47.4	172.5	-83.4	-59.5	0	0	0	112.1	L142 T143 Q144 E145 Q149 V150 Q151 I178 P494	L142-Y147 HydrophobicContact CB-CD1 4.26Å; L142-Y147 HydrophobicContact CB-CD2 3.89Å; L142-Y147 HydrophobicContact CB-CE1 4.04Å; L142-Y147 HydrophobicContact CB-CE2 3.68Å; L142-Y147 HydrophobicContact CB-CG 4.18Å; L142-Y147 HydrophobicContact CD1-CD1 3.96Å; L142-Y147 HydrophobicContact CD1-CE1 3.71Å; L142-Y147 HydrophobicContact CG-CE1 4.39Å; L142-Y147 WeakPolarHBondContact O-CE2 3.22Å; T143-Y147 VanDerWaalsContact O-CD2 3.24Å; T143-Y147 WeakPolarHBondContact O-CD2 3.47Å; T143-Y147 PolarHBondContact O-N 3.39Å; Q144-Y147 PolarHBondContact O-N 3.49Å; E145-Y147 PolarHBondContact O-N 2.85Å; Y147-Q149 PolarHBondContact O-N 3.07Å; Y147-V150 PolarHBondContact O-N 3.08Å; Y147-Q151 VanDerWaalsContact O-CB 3.29Å; Y147-Q151 WeakPolarHBondContact O-CB 3.42Å; Y147-Q151 PolarHBondContact O-N 2.9Å; Y147-I178 HydrophobicContact CD1-CB 3.78Å; Y147-I178 HydrophobicContact CD1-CG2 3.68Å; Y147-I178 HydrophobicContact CE1-CB 3.84Å; Y147-I178 HydrophobicContact CE1-CG2 3.82Å; Y147-I178 VanDerWaalsContact CE1-O 3.27Å; Y147-I178 WeakPolarHBondContact CE1-O 3.36Å; Y147-P494 HydrophobicContact CD2-CB 4.14Å; Y147-P494 HydrophobicContact CG-CB 4Å
148	L	98.3	Very high	97.9	Very high	54 Å²	54	43.6 Å²	43.6	28%	0.283	23%	0.229	S	C	.	.	H	α-helix	trans	-63.6	-40.3	179	-72.4	170.8	0	0	0	111.9	Q144 E145 E146 Q151 Q152 P494	Q144-L148 HydrophobicContact CG-CD1 4.36Å; Q144-L148 WeakPolarHBondContact O-CG 3.17Å; Q144-L148 PolarHBondContact O-N 3.15Å; E145-L148 PolarHBondContact O-N 2.99Å; E146-L148 PolarHBondContact O-N 3.1Å; L148-Q151 PolarHBondContact O-N 2.96Å; L148-Q152 VanDerWaalsContact O-CB 3.3Å; L148-Q152 WeakPolarHBondContact O-CB 3.38Å; L148-Q152 WeakPolarHBondContact O-CG 3.3Å; L148-Q152 PolarHBondContact O-N 2.74Å; L148-P494 HydrophobicContact CD2-CG 3.8Å; L148-P494 HydrophobicContact CG-CG 3.83Å
149	Q	98.5	Very high	97.7	Very high	54 Å²	54	48.6 Å²	48.6	25%	0.252	25%	0.251	S	S	.	.	H	α-helix	trans	-63.4	-47.5	178.4	-74.2	159.6	-15.4	0	0	111.6	E145 E146 Y147 Y153 P224 P226	E145-Q149 WeakPolarHBondContact O-CB 3.38Å; E145-Q149 WeakPolarHBondContact O-CG 3.35Å; E145-Q149 PolarHBondContact O-N 3.38Å; E145-Q149 PolarHBondContact O-OE1 3.09Å; E146-Q149 PolarHBondContact O-N 2.86Å; Y147-Q149 PolarHBondContact O-N 3.07Å; Q149-Y153 WeakPolarHBondContact O-CB 3.17Å; Q149-Y153 PolarHBondContact O-N 3.47Å; Q149-P224 WeakPolarHBondContact CB-O 3.47Å; Q149-P224 WeakPolarHBondContact CG-O 3.41Å; Q149-P224 PolarHBondContact NE2-O 2.89Å; Q149-P224 PolarHBondContact OE1-O 2.83Å; Q149-P226 HydrophobicContact CB-CG 4.42Å
150	V	98.7	Very high	97.5	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-60.4	-48.7	175.8	175.6	0	0	0	0	110.5	E146 Y147 Q152 Y153 M154 I178 A203 V205 V220 L223	E146-V150 WeakPolarHBondContact O-CG2 3.09Å; E146-V150 PolarHBondContact O-N 2.93Å; Y147-V150 PolarHBondContact O-N 3.08Å; V150-Q152 PolarHBondContact O-N 2.72Å; V150-Y153 PolarHBondContact O-N 3.01Å; V150-M154 HydrophobicContact CG1-CG 4.38Å; V150-M154 WeakPolarHBondContact O-CG 3.29Å; V150-M154 PolarHBondContact O-N 3.32Å; V150-I178 HydrophobicContact CB-CD1 4.19Å; V150-I178 HydrophobicContact CB-CG2 4.17Å; V150-I178 HydrophobicContact CG1-CD1 3.91Å; V150-I178 HydrophobicContact CG1-CG1 4.28Å; V150-I178 HydrophobicContact CG1-CG2 3.81Å; V150-I178 HydrophobicContact CG2-CG2 4.47Å; V150-A203 HydrophobicContact CG1-CB 4.19Å; V150-A203 HydrophobicContact CG2-CB 3.71Å; V150-V205 HydrophobicContact CG1-CG2 3.43Å; V150-V205 VanDerWaalsContact CG1-CG2 3.43Å; V150-V220 HydrophobicContact CG1-CB 4.23Å; V150-V220 HydrophobicContact CG1-CG1 4.15Å; V150-V220 HydrophobicContact CG1-CG2 4.46Å; V150-L223 HydrophobicContact CG2-CD1 4.45Å; V150-L223 HydrophobicContact CG2-CD2 3.48Å; V150-L223 VanDerWaalsContact CG2-CD2 3.48Å; V150-L223 HydrophobicContact CG2-CG 4.46Å
151	Q	98.2	Very high	97.4	Very high	16 Å²	16	54 Å²	54	8%	0.075	28%	0.278	C	S	.	.	H	α-helix	trans	-58.3	-52.9	-179.6	-174	-157.7	18.5	0	0	111.3	Y147 L148 Y153 M154 L155 I178 Y488 P492	Y147-Q151 VanDerWaalsContact O-CB 3.29Å; Y147-Q151 WeakPolarHBondContact O-CB 3.42Å; Y147-Q151 PolarHBondContact O-N 2.9Å; L148-Q151 PolarHBondContact O-N 2.96Å; Q151-Y153 VanDerWaalsContact C-N 3.27Å; Q151-Y153 PolarHBondContact O-N 3.05Å; Q151-M154 PolarHBondContact O-N 3.4Å; Q151-M154 VanDerWaalsContact O-N 3.15Å; Q151-L155 HydrophobicContact CG-CD1 4.05Å; Q151-L155 HydrophobicContact CG-CG 4.36Å; Q151-L155 WeakPolarHBondContact O-CG 3.43Å; Q151-L155 PolarHBondContact O-N 2.6Å; Q151-I178 HydrophobicContact CB-CD1 3.94Å; Q151-Y488 HydrophobicContact CB-CE2 4.23Å; Q151-Y488 HydrophobicContact CG-CE2 3.84Å; Q151-Y488 PolarHBondContact NE2-OH 3.04Å; Q151-P492 PolarHBondContact NE2-O 3.17Å
152	Q	97.9	Very high	97.3	Very high	103 Å²	103	53.6 Å²	53.6	48%	0.481	28%	0.276	S	S	.	.	H	α-helix	trans	-60.9	-38.5	-179	-73.6	173.4	7.3	0	0	111.7	L148 V150 K156	L148-Q152 VanDerWaalsContact O-CB 3.3Å; L148-Q152 WeakPolarHBondContact O-CB 3.38Å; L148-Q152 WeakPolarHBondContact O-CG 3.3Å; L148-Q152 PolarHBondContact O-N 2.74Å; V150-Q152 PolarHBondContact O-N 2.72Å; Q152-K156 VanDerWaalsContact O-CG 3.26Å; Q152-K156 WeakPolarHBondContact O-CG 3.37Å; Q152-K156 PolarHBondContact O-N 3.37Å
153	Y	98.6	Very high	97.1	Very high	32 Å²	32	54.2 Å²	54.2	13%	0.125	28%	0.28	C	S	.	.	H	α-helix	trans	-60.9	-49	173.9	171.1	-89.4	0	0	0	111.5	Q149 V150 Q151 L155 K156 Q157 V220 P226 Y228 H229	Q149-Y153 WeakPolarHBondContact O-CB 3.17Å; Q149-Y153 PolarHBondContact O-N 3.47Å; V150-Y153 PolarHBondContact O-N 3.01Å; Q151-Y153 VanDerWaalsContact C-N 3.27Å; Q151-Y153 PolarHBondContact O-N 3.05Å; Y153-L155 PolarHBondContact O-N 3.46Å; Y153-K156 PolarHBondContact O-N 3.12Å; Y153-Q157 HydrophobicContact CE1-CG 4.3Å; Y153-Q157 WeakPolarHBondContact O-CG 3.3Å; Y153-Q157 PolarHBondContact O-NE2 3.42Å; Y153-V220 HydrophobicContact CD1-CG1 3.65Å; Y153-V220 HydrophobicContact CE1-CG1 3.91Å; Y153-P226 HydrophobicContact CD1-CB 4.31Å; Y153-P226 HydrophobicContact CD2-CB 4.13Å; Y153-P226 HydrophobicContact CD2-CG 4.25Å; Y153-P226 VanDerWaalsContact CD2-O 3.27Å; Y153-P226 WeakPolarHBondContact CD2-O 3.49Å; Y153-P226 HydrophobicContact CG-CB 3.9Å; Y153-P226 HydrophobicContact CG-CG 3.93Å; Y153-Y228 WeakPolarHBondContact OH-CA 3.43Å; Y153-Y228 PolarHBondContact OH-N 2.85Å; Y153-H229 HydrophobicContact CE1-CB 3.93Å; Y153-H229 AromaticContact CE1-ND1 3.58Å; Y153-H229 AromaticContact CZ-ND1 3.79Å; Y153-H229 PolarHBondContact OH-N 3.29Å; Y153-H229 PolarHBondContact OH-ND1 3.19Å
154	M	98.4	Very high	96.9	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-65.1	-38.6	-179.8	-67.4	-60.1	-75.4	0	0	112.4	V150 Q151 K156 Q157 L160 I162 L175 V205 V207 Y218 V220 H229	V150-M154 HydrophobicContact CG1-CG 4.38Å; V150-M154 WeakPolarHBondContact O-CG 3.29Å; V150-M154 PolarHBondContact O-N 3.32Å; Q151-M154 PolarHBondContact O-N 3.4Å; Q151-M154 VanDerWaalsContact O-N 3.15Å; M154-K156 VanDerWaalsContact C-N 3.27Å; M154-K156 PolarHBondContact O-N 3.12Å; M154-Q157 WeakPolarHBondContact O-CB 3.5Å; M154-Q157 PolarHBondContact O-N 2.76Å; M154-L160 HydrophobicContact CE-CD1 3.44Å; M154-L160 VanDerWaalsContact CE-CD1 3.44Å; M154-L160 HydrophobicContact SD-CD1 4.22Å; M154-I162 HydrophobicContact CB-CD1 4.22Å; M154-L175 HydrophobicContact CB-CD1 3.63Å; M154-L175 HydrophobicContact CG-CD1 4.18Å; M154-V205 HydrophobicContact CE-CB 4.45Å; M154-V205 HydrophobicContact CE-CG1 3.95Å; M154-V205 HydrophobicContact CG-CG1 4.29Å; M154-V205 HydrophobicContact CG-CG2 4.45Å; M154-V207 HydrophobicContact CE-CG2 4.23Å; M154-Y218 HydrophobicContact CE-CD2 4.09Å; M154-Y218 HydrophobicContact CE-CG 4.24Å; M154-V220 HydrophobicContact CE-CG2 4.39Å; M154-V220 HydrophobicContact CG-CG2 4.27Å; M154-V220 HydrophobicContact SD-CG1 4.45Å; M154-V220 HydrophobicContact SD-CG2 3.59Å; M154-V220 VanDerWaalsContact SD-CG2 3.59Å; M154-H229 HydrophobicContact SD-CB 4Å
155	L	97.5	Very high	96.7	Very high	63 Å²	63	57.6 Å²	57.6	33%	0.33	29%	0.294	S	S	.	.	H	α-helix	trans	-67.5	-25.3	176.5	-68.3	179.1	0	0	0	113.4	Q151 Y153 Q157 I162 T164	Q151-L155 HydrophobicContact CG-CD1 4.05Å; Q151-L155 HydrophobicContact CG-CG 4.36Å; Q151-L155 WeakPolarHBondContact O-CG 3.43Å; Q151-L155 PolarHBondContact O-N 2.6Å; Y153-L155 PolarHBondContact O-N 3.46Å; L155-Q157 VanDerWaalsContact C-N 3.29Å; L155-I162 HydrophobicContact CD2-CB 3.83Å; L155-I162 HydrophobicContact CD2-CG2 3.52Å; L155-T164 HydrophobicContact CD1-CG2 4.06Å; L155-T164 HydrophobicContact CD2-CG2 3.97Å
156	K	97.6	Very high	96.3	Very high	162 Å²	162	55.9 Å²	55.9	70%	0.704	29%	0.286	S	S	*	.	H	α-helix	trans	-75.8	-16.9	175.4	-75.5	171.6	-176.9	178.8	0	113.4	Q152 Y153 M154 G158	Q152-K156 VanDerWaalsContact O-CG 3.26Å; Q152-K156 WeakPolarHBondContact O-CG 3.37Å; Q152-K156 PolarHBondContact O-N 3.37Å; Y153-K156 PolarHBondContact O-N 3.12Å; M154-K156 VanDerWaalsContact C-N 3.27Å; M154-K156 PolarHBondContact O-N 3.12Å; K156-G158 PolarHBondContact O-N 3.11Å
157	Q	97.8	Very high	96.1	Very high	42 Å²	42	58.3 Å²	58.3	20%	0.196	30%	0.302	C	S	.	.			trans	-76.9	91.9	178.2	-53.2	-45.3	-65.1	0	0	109.1	Y153 M154 L155 E159 L160	Y153-Q157 HydrophobicContact CE1-CG 4.3Å; Y153-Q157 WeakPolarHBondContact O-CG 3.3Å; Y153-Q157 PolarHBondContact O-NE2 3.42Å; M154-Q157 WeakPolarHBondContact O-CB 3.5Å; M154-Q157 PolarHBondContact O-N 2.76Å; L155-Q157 VanDerWaalsContact C-N 3.29Å; Q157-E159 WeakPolarHBondContact CA-OE2 3.47Å; Q157-E159 WeakPolarHBondContact CB-OE1 3.34Å; Q157-E159 PolarHBondContact O-N 2.86Å; Q157-E159 VanDerWaalsContact O-N 3.15Å; Q157-L160 HydrophobicContact CB-CB 4.43Å; Q157-L160 HydrophobicContact CB-CD1 3.59Å; Q157-L160 HydrophobicContact CB-CG 3.63Å; Q157-L160 HydrophobicContact CG-CD1 4Å; Q157-L160 WeakPolarHBondContact O-CB 3.41Å; Q157-L160 PolarHBondContact O-N 2.98Å
158	G	91.9	Very high	95.9	Very high	63 Å²	63	58.4 Å²	58.4	65%	0.649	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-58.2	-29	-172.4	0	0	0	0	0	113.8	K156 L160 N161	K156-G158 PolarHBondContact O-N 3.11Å; G158-L160 VanDerWaalsContact C-N 3.26Å; G158-L160 PolarHBondContact O-N 2.88Å; G158-N161 PolarHBondContact O-N 3.22Å
159	E	93.8	Very high	95.8	Very high	115 Å²	115	59.5 Å²	59.5	54%	0.537	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-68	-21.6	176.8	77	-74.1	-177.7	0	0	113.8	Q157 H229	Q157-E159 WeakPolarHBondContact CA-OE2 3.47Å; Q157-E159 WeakPolarHBondContact CB-OE1 3.34Å; Q157-E159 PolarHBondContact O-N 2.86Å; Q157-E159 VanDerWaalsContact O-N 3.15Å; E159-H229 IonicContact OE1-CE1 3.21Å; E159-H229 PolarHBondContact OE1-CE1 3.4Å; E159-H229 IonicContact OE1-NE2 2.78Å
160	L	94.9	Very high	95.7	Very high	5 Å²	5	57.3 Å²	57.3	3%	0.026	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-81.5	-24.2	178.2	-51	-176.7	0	0	0	112.1	M154 Q157 G158 I162 N173 Y209	M154-L160 HydrophobicContact CE-CD1 3.44Å; M154-L160 VanDerWaalsContact CE-CD1 3.44Å; M154-L160 HydrophobicContact SD-CD1 4.22Å; Q157-L160 HydrophobicContact CB-CB 4.43Å; Q157-L160 HydrophobicContact CB-CD1 3.59Å; Q157-L160 HydrophobicContact CB-CG 3.63Å; Q157-L160 HydrophobicContact CG-CD1 4Å; Q157-L160 WeakPolarHBondContact O-CB 3.41Å; Q157-L160 PolarHBondContact O-N 2.98Å; G158-L160 VanDerWaalsContact C-N 3.26Å; G158-L160 PolarHBondContact O-N 2.88Å; L160-I162 VanDerWaalsContact C-N 3.31Å; L160-I162 HydrophobicContact CB-CD1 3.84Å; L160-I162 HydrophobicContact CB-CG1 3.81Å; L160-I162 HydrophobicContact CD1-CD1 3.96Å; L160-I162 PolarHBondContact O-N 3.22Å; L160-N173 PolarHBondContact O-ND2 2.96Å; L160-Y209 WeakPolarHBondContact CD2-OH 3.35Å
161	N	95.5	Very high	95.6	Very high	123 Å²	123	58.6 Å²	58.6	66%	0.658	31%	0.307	S	S	*	.			trans	45.5	48.9	177.3	-170.2	37	0	0	0	114	G158 N173	G158-N161 PolarHBondContact O-N 3.22Å; N161-N173 WeakPolarHBondContact O-CB 3.26Å
162	I	96.8	Very high	95.5	Very high	24 Å²	24	60.2 Å²	60.2	12%	0.123	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	130.3	-172.8	-66.2	168.2	0	0	0	110.8	M154 L155 L160 L175 V207	M154-I162 HydrophobicContact CB-CD1 4.22Å; L155-I162 HydrophobicContact CD2-CB 3.83Å; L155-I162 HydrophobicContact CD2-CG2 3.52Å; L160-I162 VanDerWaalsContact C-N 3.31Å; L160-I162 HydrophobicContact CB-CD1 3.84Å; L160-I162 HydrophobicContact CB-CG1 3.81Å; L160-I162 HydrophobicContact CD1-CD1 3.96Å; L160-I162 PolarHBondContact O-N 3.22Å; I162-L175 HydrophobicContact CD1-CB 4.27Å; I162-L175 HydrophobicContact CD1-CD1 4.18Å; I162-L175 HydrophobicContact CG2-CB 3.71Å; I162-V207 HydrophobicContact CD1-CG2 4.43Å; I162-V207 HydrophobicContact CG1-CG1 4.39Å
163	S	94.6	Very high	95.5	Very high	18 Å²	18	56.2 Å²	56.2	13%	0.126	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	138.9	170.3	167.7	0	0	0	0	111.4	R165 T168 N173	S163-R165 PolarHBondContact OG-N 3.43Å; S163-T168 WeakPolarHBondContact CB-OG1 3.48Å; S163-T168 PolarHBondContact OG-OG1 3.35Å; S163-N173 WeakPolarHBondContact CB-O 3.48Å; S163-N173 PolarHBondContact N-O 3.09Å
164	T	92.9	Very high	95.4	Very high	93 Å²	93	55.1 Å²	55.1	57%	0.571	29%	0.293	S	S	*	.			trans	-98.1	2	176.2	55.5	0	0	0	0	113.2	L155 P492	L155-T164 HydrophobicContact CD1-CG2 4.06Å; L155-T164 HydrophobicContact CD2-CG2 3.97Å; T164-P492 VanDerWaalsContact O-CB 3.29Å; T164-P492 WeakPolarHBondContact O-CB 3.36Å
165	R	93.2	Very high	95.4	Very high	113 Å²	113	55.2 Å²	55.2	43%	0.426	29%	0.293	S	S	.	.			trans	-79	135.7	-177.5	-61.7	-172.8	-71.5	164.2	-8.1	110.9	S163 T167 T168 E172	S163-R165 PolarHBondContact OG-N 3.43Å; R165-T167 PolarHBondContact O-N 3.42Å; R165-T168 PolarHBondContact O-N 3.4Å; R165-T168 PolarHBondContact O-OG1 3.03Å; R165-E172 IonicContact CZ-OE1 2.6Å; R165-E172 IonicContact CZ-OE2 3.02Å; R165-E172 IonicContact NE-OE1 3.43Å; R165-E172 IonicContact NE-OE2 2.74Å; R165-E172 IonicContact NH2-OE1 3.65Å; R165-E172 PolarHBondContact NH2-OE1 2.9Å; R165-E172 IonicContact NH2-OE2 2.62Å; R165-E172 PolarHBondContact NH2-OE2 3.1Å
166	Q	90.1	Very high	95.4	Very high	70 Å²	70	52.5 Å²	52.5	33%	0.327	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-40.9	171.4	179	69.7	62.4	0	0	111.5	T168 I250 D490 P492	Q166-T168 VanDerWaalsContact C-N 3.33Å; Q166-T168 PolarHBondContact O-N 2.94Å; Q166-I250 HydrophobicContact CG-CG2 4.33Å; Q166-I250 VanDerWaalsContact NE2-CD1 3.31Å; Q166-D490 PolarHBondContact NE2-O 3.42Å; Q166-P492 HydrophobicContact CB-CG 4.21Å
167	T	94.1	Very high	95.4	Very high	73 Å²	73	45 Å²	45	45%	0.448	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.5	56.6	176.4	58	0	0	0	0	110.5	R165 M169 I250 A254	R165-T167 PolarHBondContact O-N 3.42Å; T167-M169 PolarHBondContact O-N 3.08Å; T167-I250 HydrophobicContact CG2-CG2 4.43Å; T167-A254 HydrophobicContact CG2-CB 4.45Å
168	T	94.7	Very high	95.5	Very high	4 Å²	4	43 Å²	43	3%	0.025	24%	0.236	C	C	.	.			trans	-63.3	133.1	175.7	-68.8	0	0	0	0	110.1	S163 R165 Q166 E172 F174	S163-T168 WeakPolarHBondContact CB-OG1 3.48Å; S163-T168 PolarHBondContact OG-OG1 3.35Å; R165-T168 PolarHBondContact O-N 3.4Å; R165-T168 PolarHBondContact O-OG1 3.03Å; Q166-T168 VanDerWaalsContact C-N 3.33Å; Q166-T168 PolarHBondContact O-N 2.94Å; T168-E172 HydrophobicContact CG2-CB 3.59Å; T168-E172 HydrophobicContact CG2-CG 4.49Å; T168-F174 HydrophobicContact CG2-CB 3.85Å; T168-F174 HydrophobicContact CG2-CD2 4.17Å; T168-F174 HydrophobicContact CG2-CG 4.18Å
169	M	95.9	Very high	95.7	Very high	76 Å²	76	40.4 Å²	40.4	37%	0.374	21%	0.208	S	C	.	.			trans	-73.5	150.9	-178.5	-59.2	-174.8	-60.6	0	0	110.7	T167 S171 E172	T167-M169 PolarHBondContact O-N 3.08Å; M169-S171 PolarHBondContact O-N 3.33Å; M169-E172 HydrophobicContact CB-CG 4.2Å; M169-E172 WeakPolarHBondContact CB-OE2 3.14Å; M169-E172 HydrophobicContact CE-CG 4.06Å; M169-E172 WeakPolarHBondContact CG-OE2 2.99Å; M169-E172 PolarHBondContact N-OE2 2.86Å; M169-E172 PolarHBondContact O-N 3.43Å
170	P	96.6	Very high	95.9	Very high	8 Å²	8	35.4 Å²	35.4	5%	0.052	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-22.5	177.7	-29.5	37.2	0	0	0	115.6	G210 E252 L255 T328 W333	P170-G210 WeakPolarHBondContact O-CA 3.38Å; P170-E252 HydrophobicContact CG-CB 4.16Å; P170-E252 HydrophobicContact CG-CG 4Å; P170-L255 VanDerWaalsContact CD-CD1 3.44Å; P170-L255 HydrophobicContact CG-CD1 4.15Å; P170-T328 WeakPolarHBondContact O-CB 3.39Å; P170-T328 WeakPolarHBondContact O-CG2 3.33Å; P170-W333 HydrophobicContact CG-CZ2 4.13Å
171	S	96.3	Very high	96.1	Very high	28 Å²	28	36 Å²	36	20%	0.196	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-16.9	176.4	53.7	0	0	0	0	113.7	M169 G210 M211 T328	M169-S171 PolarHBondContact O-N 3.33Å; S171-G210 CarbonylContact O-C 3.58Å; S171-G210 WeakPolarHBondContact O-CA 3.4Å; S171-M211 VanDerWaalsContact O-CG 3.28Å; S171-M211 WeakPolarHBondContact O-CG 3.32Å; S171-M211 PolarHBondContact O-N 2.73Å; S171-T328 PolarHBondContact N-O 2.99Å
172	E	96.8	Very high	96.2	Very high	49 Å²	49	33 Å²	33	23%	0.229	17%	0.173	C	C	.	.	S	Bend	trans	-87.4	167.2	-176.4	-66.3	177.6	105.2	0	0	112.5	R165 T168 M169 G210	R165-E172 IonicContact CZ-OE1 2.6Å; R165-E172 IonicContact CZ-OE2 3.02Å; R165-E172 IonicContact NE-OE1 3.43Å; R165-E172 IonicContact NE-OE2 2.74Å; R165-E172 IonicContact NH2-OE1 3.65Å; R165-E172 PolarHBondContact NH2-OE1 2.9Å; R165-E172 IonicContact NH2-OE2 2.62Å; R165-E172 PolarHBondContact NH2-OE2 3.1Å; T168-E172 HydrophobicContact CG2-CB 3.59Å; T168-E172 HydrophobicContact CG2-CG 4.49Å; M169-E172 HydrophobicContact CB-CG 4.2Å; M169-E172 WeakPolarHBondContact CB-OE2 3.14Å; M169-E172 HydrophobicContact CE-CG 4.06Å; M169-E172 WeakPolarHBondContact CG-OE2 2.99Å; M169-E172 PolarHBondContact N-OE2 2.86Å; M169-E172 PolarHBondContact O-N 3.43Å; E172-G210 WeakPolarHBondContact O-CA 3.37Å; E172-G210 PolarHBondContact O-N 2.87Å; E172-G210 VanDerWaalsContact O-N 3.1Å
173	N	97.4	Very high	96.2	Very high	20 Å²	20	32.9 Å²	32.9	11%	0.107	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	132.8	169.5	-56.2	-15.1	0	0	0	109.5	L160 N161 S163 F208 Y209	L160-N173 PolarHBondContact O-ND2 2.96Å; N161-N173 WeakPolarHBondContact O-CB 3.26Å; S163-N173 WeakPolarHBondContact CB-O 3.48Å; S163-N173 PolarHBondContact N-O 3.09Å; N173-F208 CarbonylContact C-O 2.99Å; N173-F208 WeakPolarHBondContact CA-O 3.32Å; N173-Y209 HydrophobicContact CB-CD1 4.29Å; N173-Y209 VanDerWaalsContact CG-CD1 3.47Å; N173-Y209 WeakPolarHBondContact ND2-CD1 3.31Å; N173-Y209 WeakPolarHBondContact OD1-CA 3.46Å; N173-Y209 WeakPolarHBondContact OD1-CD1 3.34Å
174	F	97.4	Very high	96.4	Very high	9 Å²	9	39 Å²	39	4%	0.039	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	125.1	-174	-178	-136.3	0	0	0	111	T168 F176 V207 F208 T249 D490	T168-F174 HydrophobicContact CG2-CB 3.85Å; T168-F174 HydrophobicContact CG2-CD2 4.17Å; T168-F174 HydrophobicContact CG2-CG 4.18Å; F174-F176 HydrophobicContact CD1-CB 4.03Å; F174-F176 HydrophobicContact CD1-CD2 4.19Å; F174-F176 HydrophobicContact CE1-CB 4.23Å; F174-F176 AromaticContact CE1-CD2 3.8Å; F174-F176 HydrophobicContact CE1-CD2 3.8Å; F174-F176 PolarHBondContact O-N 3.35Å; F174-F176 VanDerWaalsContact O-N 3.1Å; F174-V207 CarbonylContact O-C 3.56Å; F174-V207 WeakPolarHBondContact O-CA 3.27Å; F174-F208 HydrophobicContact CB-CB 4.29Å; F174-F208 HydrophobicContact CD1-CD2 4.06Å; F174-F208 HydrophobicContact CD1-CE2 4.47Å; F174-F208 PolarHBondContact N-O 2.81Å; F174-F208 PolarHBondContact O-N 3.06Å; F174-T249 HydrophobicContact CD1-CG2 4.12Å; F174-T249 HydrophobicContact CE1-CG2 4.06Å; F174-D490 WeakPolarHBondContact CE1-OD1 3.16Å
175	L	97.9	Very high	96.6	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.005	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	97.1	168.3	-162.4	165.5	0	0	0	107.3	M154 I162 I178 V205 Y488	M154-L175 HydrophobicContact CB-CD1 3.63Å; M154-L175 HydrophobicContact CG-CD1 4.18Å; I162-L175 HydrophobicContact CD1-CB 4.27Å; I162-L175 HydrophobicContact CD1-CD1 4.18Å; I162-L175 HydrophobicContact CG2-CB 3.71Å; L175-I178 HydrophobicContact CD2-CD1 3.85Å; L175-I178 HydrophobicContact CD2-CG1 3.47Å; L175-I178 VanDerWaalsContact CD2-CG1 3.47Å; L175-V205 HydrophobicContact CD1-CG1 4.2Å; L175-V205 HydrophobicContact CD2-CG1 3.99Å; L175-V205 HydrophobicContact CG-CG1 3.87Å; L175-Y488 HydrophobicContact CD2-CD1 3.94Å; L175-Y488 HydrophobicContact CD2-CE1 3.31Å
176	F	97.4	Very high	96.7	Very high	6 Å²	6	39 Å²	39	3%	0.026	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	-47.2	-170	172.1	-100.7	0	0	0	112.5	F174 V206 F208 L247 T249 I489 D490	F174-F176 HydrophobicContact CD1-CB 4.03Å; F174-F176 HydrophobicContact CD1-CD2 4.19Å; F174-F176 HydrophobicContact CE1-CB 4.23Å; F174-F176 AromaticContact CE1-CD2 3.8Å; F174-F176 HydrophobicContact CE1-CD2 3.8Å; F174-F176 PolarHBondContact O-N 3.35Å; F174-F176 VanDerWaalsContact O-N 3.1Å; F176-V206 HydrophobicContact CD1-CB 4.35Å; F176-V206 HydrophobicContact CD1-CG1 4.35Å; F176-V206 PolarHBondContact N-O 2.77Å; F176-F208 HydrophobicContact CB-CD1 4.19Å; F176-F208 HydrophobicContact CB-CD2 3.99Å; F176-F208 HydrophobicContact CB-CE1 3.87Å; F176-F208 HydrophobicContact CB-CE2 3.66Å; F176-F208 HydrophobicContact CB-CG 4.24Å; F176-F208 HydrophobicContact CB-CZ 3.59Å; F176-F208 HydrophobicContact CD1-CE1 4.09Å; F176-F208 HydrophobicContact CD1-CE2 4.26Å; F176-F208 AromaticContact CD1-CZ 3.57Å; F176-F208 HydrophobicContact CD1-CZ 3.57Å; F176-F208 HydrophobicContact CD2-CD2 4.3Å; F176-F208 AromaticContact CD2-CE2 3.37Å; F176-F208 HydrophobicContact CD2-CE2 3.37Å; F176-F208 AromaticContact CD2-CZ 3.55Å; F176-F208 HydrophobicContact CD2-CZ 3.55Å; F176-F208 HydrophobicContact CE1-CZ 4.24Å; F176-F208 HydrophobicContact CE2-CE2 4.16Å; F176-F208 HydrophobicContact CE2-CZ 4.21Å; F176-F208 HydrophobicContact CG-CD2 4.29Å; F176-F208 AromaticContact CG-CE1 3.91Å; F176-F208 HydrophobicContact CG-CE1 3.91Å; F176-F208 AromaticContact CG-CE2 3.46Å; F176-F208 HydrophobicContact CG-CE2 3.46Å; F176-F208 VanDerWaalsContact CG-CE2 3.46Å; F176-F208 AromaticContact CG-CZ 3.22Å; F176-F208 HydrophobicContact CG-CZ 3.22Å; F176-L247 HydrophobicContact CD1-CD2 4.28Å; F176-L247 HydrophobicContact CD2-CD2 4.3Å; F176-L247 HydrophobicContact CE1-CD2 3.46Å; F176-L247 VanDerWaalsContact CE1-CD2 3.46Å; F176-L247 HydrophobicContact CE2-CD1 3.69Å; F176-L247 HydrophobicContact CE2-CD2 3.47Å; F176-L247 VanDerWaalsContact CE2-CD2 3.47Å; F176-L247 HydrophobicContact CE2-CG 3.8Å; F176-L247 HydrophobicContact CZ-CD1 3.55Å; F176-L247 HydrophobicContact CZ-CD2 3.02Å; F176-L247 HydrophobicContact CZ-CG 3.73Å; F176-T249 HydrophobicContact CD2-CG2 4.37Å; F176-I489 HydrophobicContact CE1-CD1 4.13Å; F176-I489 HydrophobicContact CE1-CG1 3.87Å; F176-I489 HydrophobicContact CE2-CG1 4.24Å; F176-I489 HydrophobicContact CZ-CD1 3.91Å; F176-I489 HydrophobicContact CZ-CG1 3.5Å; F176-I489 VanDerWaalsContact CZ-CG1 3.5Å; F176-I489 CarbonylContact O-C 3.58Å; F176-I489 VanDerWaalsContact O-CA 3.32Å; F176-I489 WeakPolarHBondContact O-CA 3.2Å; F176-D490 HydrophobicContact CD2-CB 4.22Å; F176-D490 HydrophobicContact CE2-CB 3.66Å; F176-D490 HydrophobicContact CZ-CB 4.47Å; F176-D490 PolarHBondContact O-N 3.43Å
177	L	97.9	Very high	97.1	Very high	4 Å²	4	40.2 Å²	40.2	2%	0.021	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	140.1	-174.1	175.4	70.4	0	0	0	110.1	D179 V205 V206 L416 Y488 I489	L177-D179 HydrophobicContact CD1-CB 4.24Å; L177-D179 HydrophobicContact CD2-CB 4.45Å; L177-D179 HydrophobicContact CG-CB 4.33Å; L177-V205 CarbonylContact O-C 3.57Å; L177-V205 VanDerWaalsContact O-CA 3.27Å; L177-V205 WeakPolarHBondContact O-CA 3.36Å; L177-V206 HydrophobicContact CB-CB 3.91Å; L177-V206 HydrophobicContact CB-CG2 3.88Å; L177-V206 HydrophobicContact CD2-CG2 3.82Å; L177-V206 HydrophobicContact CG-CG2 4.35Å; L177-V206 PolarHBondContact N-O 3.44Å; L177-V206 PolarHBondContact O-N 2.93Å; L177-L416 HydrophobicContact CD2-CD1 3.57Å; L177-L416 HydrophobicContact CD2-CD2 4.18Å; L177-L416 HydrophobicContact CD2-CG 3.85Å; L177-Y488 WeakPolarHBondContact CA-O 3.25Å; L177-Y488 WeakPolarHBondContact CD1-O 3.38Å; L177-I489 HydrophobicContact CD1-CB 3.93Å; L177-I489 HydrophobicContact CD1-CD1 4.16Å; L177-I489 HydrophobicContact CD1-CG1 4.13Å
178	I	98.6	Very high	97.3	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	131.6	154.5	-51.4	174.3	0	0	0	106	L142 Y147 V150 Q151 L175 A203 T204 V205 Y488	L142-I178 HydrophobicContact CD1-CG2 3.77Å; Y147-I178 HydrophobicContact CD1-CB 3.78Å; Y147-I178 HydrophobicContact CD1-CG2 3.68Å; Y147-I178 HydrophobicContact CE1-CB 3.84Å; Y147-I178 HydrophobicContact CE1-CG2 3.82Å; Y147-I178 VanDerWaalsContact CE1-O 3.27Å; Y147-I178 WeakPolarHBondContact CE1-O 3.36Å; V150-I178 HydrophobicContact CB-CD1 4.19Å; V150-I178 HydrophobicContact CB-CG2 4.17Å; V150-I178 HydrophobicContact CG1-CD1 3.91Å; V150-I178 HydrophobicContact CG1-CG1 4.28Å; V150-I178 HydrophobicContact CG1-CG2 3.81Å; V150-I178 HydrophobicContact CG2-CG2 4.47Å; Q151-I178 HydrophobicContact CB-CD1 3.94Å; L175-I178 HydrophobicContact CD2-CD1 3.85Å; L175-I178 HydrophobicContact CD2-CG1 3.47Å; L175-I178 VanDerWaalsContact CD2-CG1 3.47Å; I178-A203 HydrophobicContact CG2-CB 3.98Å; I178-T204 CarbonylContact C-O 3.6Å; I178-T204 WeakPolarHBondContact CA-O 3.48Å; I178-V205 HydrophobicContact CG1-CG2 4.21Å; I178-V205 HydrophobicContact CG2-CG2 4.28Å; I178-Y488 HydrophobicContact CB-CD1 4.27Å; I178-Y488 HydrophobicContact CB-CG 4.15Å; I178-Y488 HydrophobicContact CD1-CD1 3.99Å; I178-Y488 HydrophobicContact CD1-CD2 3.86Å; I178-Y488 HydrophobicContact CD1-CE1 4.23Å; I178-Y488 HydrophobicContact CD1-CE2 4.07Å; I178-Y488 HydrophobicContact CD1-CG 3.83Å; I178-Y488 HydrophobicContact CG1-CD1 3.75Å; I178-Y488 HydrophobicContact CG1-CD2 4.45Å; I178-Y488 HydrophobicContact CG1-CE1 4.23Å; I178-Y488 HydrophobicContact CG1-CG 3.9Å; I178-Y488 PolarHBondContact N-O 3.09Å
179	D	97.8	Very high	97.4	Very high	10 Å²	10	37.4 Å²	37.4	5%	0.053	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	162.5	172.6	-157.5	-4	0	0	0	109.9	L177 S181 A203 T204 S414 S415	L177-D179 HydrophobicContact CD1-CB 4.24Å; L177-D179 HydrophobicContact CD2-CB 4.45Å; L177-D179 HydrophobicContact CG-CB 4.33Å; D179-S181 PolarHBondContact O-N 2.53Å; D179-A203 CarbonylContact O-C 3.52Å; D179-A203 VanDerWaalsContact O-CA 3.31Å; D179-A203 WeakPolarHBondContact O-CA 3.18Å; D179-T204 PolarHBondContact N-O 3.22Å; D179-T204 PolarHBondContact O-N 3.13Å; D179-S414 PolarHBondContact OD2-OG 2.79Å; D179-S415 PolarHBondContact OD2-N 3.32Å
180	L	98.3	Very high	97.4	Very high	9 Å²	9	35.4 Å²	35.4	5%	0.047	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.1	128.9	174.4	176.5	69.1	0	0	0	110.2	A140 L142 L182 R201	A140-L180 VanDerWaalsContact O-CD2 3.32Å; A140-L180 WeakPolarHBondContact O-CD2 3.42Å; L142-L180 HydrophobicContact CD2-CB 4.41Å; L142-L180 HydrophobicContact CD2-CD1 3.88Å; L142-L180 HydrophobicContact CG-CB 4.25Å; L180-L182 HydrophobicContact CD2-CD2 3.75Å; L180-L182 HydrophobicContact CG-CD2 4.48Å; L180-L182 PolarHBondContact O-N 3.47Å; L180-R201 HydrophobicContact CD1-CG 4.48Å
181	S	97.9	Very high	97.5	Very high	19 Å²	19	36.9 Å²	36.9	13%	0.133	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	107.3	163.9	-135.8	0	0	0	0	108.4	D179 E202 T204	D179-S181 PolarHBondContact O-N 2.53Å; S181-E202 WeakPolarHBondContact CB-O 3.27Å; S181-E202 PolarHBondContact N-O 3.13Å; S181-T204 PolarHBondContact OG-OG1 2.99Å; S181-T204 VanDerWaalsContact OG-OG1 3.12Å
182	L	97.9	Very high	97.5	Very high	59 Å²	59	35.8 Å²	35.8	31%	0.309	18%	0.179	S	C	.	.	P	Polyproline II helix	trans	-63.7	137.9	178.8	-72.2	171.1	0	0	0	110.3	F139 L180 F422	F139-L182 HydrophobicContact CD1-CD2 4.18Å; L180-L182 HydrophobicContact CD2-CD2 3.75Å; L180-L182 HydrophobicContact CG-CD2 4.48Å; L180-L182 PolarHBondContact O-N 3.47Å; L182-F422 HydrophobicContact CD1-CE1 4.04Å; L182-F422 HydrophobicContact CD1-CZ 3.78Å; L182-F422 HydrophobicContact CD2-CE1 4.21Å; L182-F422 HydrophobicContact CD2-CE2 4.32Å; L182-F422 HydrophobicContact CD2-CZ 3.7Å; L182-F422 HydrophobicContact CG-CZ 4.43Å
183	P	97.5	Very high	97.4	Very high	21 Å²	21	36.5 Å²	36.5	14%	0.136	19%	0.185	C	C	.	.	P	Polyproline II helix	trans	-64.8	154.1	176.6	28.7	-36	0	0	0	111.1	V138 F139 K185 A188 P199	V138-P183 HydrophobicContact CB-CG 4.37Å; F139-P183 HydrophobicContact CE1-CG 4.5Å; P183-K185 PolarHBondContact O-N 2.91Å; P183-A188 HydrophobicContact CB-CB 4.34Å; P183-A188 HydrophobicContact CG-CB 3.93Å; P183-P199 HydrophobicContact CB-CB 3.71Å; P183-P199 HydrophobicContact CB-CG 4.05Å
184	K	97.1	Very high	97.2	Very high	148 Å²	148	45 Å²	45	64%	0.643	22%	0.216	S	C	*	.	P	Polyproline II helix	trans	-58.9	134.9	171.7	-66.8	178.4	-178	171.6	0	109.6	L186 E187 A188	K184-L186 PolarHBondContact O-N 2.9Å; K184-L186 VanDerWaalsContact O-N 3.14Å; K184-E187 HydrophobicContact CB-CG 4.48Å; K184-E187 PolarHBondContact O-N 2.97Å; K184-A188 PolarHBondContact O-N 2.96Å
185	K	97.9	Very high	96.9	Very high	56 Å²	56	53 Å²	53	24%	0.243	25%	0.25	C	S	.	.	H	α-helix	trans	-49.8	-43.9	-177.6	179.6	172.7	-179.2	179.4	0	112.6	P183 E187 A188 M189 Y433 D601 D603	P183-K185 PolarHBondContact O-N 2.91Å; K185-E187 PolarHBondContact O-N 3.13Å; K185-A188 PolarHBondContact O-N 2.92Å; K185-M189 HydrophobicContact CG-CG 3.94Å; K185-M189 VanDerWaalsContact O-CB 3.24Å; K185-M189 WeakPolarHBondContact O-CB 3.24Å; K185-M189 WeakPolarHBondContact O-CG 3.41Å; K185-M189 PolarHBondContact O-N 2.88Å; K185-Y433 HydrophobicContact CB-CE1 3.97Å; K185-Y433 HydrophobicContact CB-CE2 4.43Å; K185-Y433 HydrophobicContact CD-CD1 3.72Å; K185-Y433 HydrophobicContact CD-CD2 4.32Å; K185-Y433 HydrophobicContact CD-CE1 4.05Å; K185-Y433 HydrophobicContact CD-CG 3.87Å; K185-Y433 HydrophobicContact CG-CD1 3.94Å; K185-Y433 HydrophobicContact CG-CD2 3.98Å; K185-Y433 HydrophobicContact CG-CE1 3.82Å; K185-Y433 HydrophobicContact CG-CE2 3.84Å; K185-Y433 HydrophobicContact CG-CG 4.02Å; K185-D601 WeakPolarHBondContact CD-OD2 3.29Å; K185-D601 WeakPolarHBondContact CE-OD2 3.43Å; K185-D601 IonicContact NZ-OD1 3.69Å; K185-D601 PolarHBondContact NZ-OD1 2.89Å; K185-D601 IonicContact NZ-OD2 3.11Å; K185-D601 PolarHBondContact NZ-OD2 2.67Å; K185-D603 WeakPolarHBondContact CE-OD2 3.21Å; K185-D603 VanDerWaalsContact NZ-CG 3.33Å; K185-D603 IonicContact NZ-OD1 2.66Å; K185-D603 PolarHBondContact NZ-OD1 2.69Å; K185-D603 IonicContact NZ-OD2 2.73Å; K185-D603 PolarHBondContact NZ-OD2 3.1Å
186	L	96.3	Very high	96.7	Very high	149 Å²	149	54.6 Å²	54.6	78%	0.78	27%	0.266	S	S	*	.	H	α-helix	trans	-58.5	-44.7	-179.7	-176.6	63.5	0	0	0	112.7	K184 A190	K184-L186 PolarHBondContact O-N 2.9Å; K184-L186 VanDerWaalsContact O-N 3.14Å; L186-A190 WeakPolarHBondContact O-CB 3.36Å; L186-A190 PolarHBondContact O-N 3.38Å; L186-A190 VanDerWaalsContact O-N 3.09Å
187	E	97.2	Very high	96.7	Very high	95 Å²	95	63.6 Å²	63.6	44%	0.444	31%	0.305	S	S	.	.	H	α-helix	trans	-71.8	-44	-179.8	-64.7	171.3	-156.2	0	0	111.2	K184 K185 M189 A190 Y191 P199	K184-E187 HydrophobicContact CB-CG 4.48Å; K184-E187 PolarHBondContact O-N 2.97Å; K185-E187 PolarHBondContact O-N 3.13Å; E187-M189 PolarHBondContact O-N 3.17Å; E187-A190 PolarHBondContact O-N 2.85Å; E187-Y191 PolarHBondContact O-N 2.59Å; E187-Y191 VanDerWaalsContact O-N 3.09Å; E187-P199 HydrophobicContact CB-CG 4.2Å
188	A	97.8	Very high	96.6	Very high	0 Å²	0	69 Å²	69	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-59.3	-47	176.1	0	0	0	0	0	111.3	F139 P183 K184 K185 A190 Y191 L192 Y433	F139-A188 HydrophobicContact CE1-CB 4.42Å; F139-A188 HydrophobicContact CZ-CB 4.24Å; P183-A188 HydrophobicContact CB-CB 4.34Å; P183-A188 HydrophobicContact CG-CB 3.93Å; K184-A188 PolarHBondContact O-N 2.96Å; K185-A188 PolarHBondContact O-N 2.92Å; A188-A190 PolarHBondContact O-N 3.42Å; A188-Y191 PolarHBondContact O-N 3.35Å; A188-L192 WeakPolarHBondContact O-CB 3.45Å; A188-L192 WeakPolarHBondContact O-CG 3.1Å; A188-L192 PolarHBondContact O-N 2.63Å; A188-Y433 HydrophobicContact CB-CE2 4.2Å; A188-Y433 WeakPolarHBondContact CB-OH 3.41Å
189	M	96.6	Very high	96.6	Very high	18 Å²	18	69.6 Å²	69.6	9%	0.089	33%	0.333	C	S	.	.	H	α-helix	trans	-62.2	-44	178.2	-72.7	-71.7	-74.8	0	0	112	K185 E187 Y191 L192 D193 R430 Y433 V607	K185-M189 HydrophobicContact CG-CG 3.94Å; K185-M189 VanDerWaalsContact O-CB 3.24Å; K185-M189 WeakPolarHBondContact O-CB 3.24Å; K185-M189 WeakPolarHBondContact O-CG 3.41Å; K185-M189 PolarHBondContact O-N 2.88Å; E187-M189 PolarHBondContact O-N 3.17Å; M189-Y191 VanDerWaalsContact C-N 3.27Å; M189-Y191 PolarHBondContact O-N 3.29Å; M189-L192 PolarHBondContact O-N 3.21Å; M189-D193 VanDerWaalsContact O-CB 3.29Å; M189-D193 WeakPolarHBondContact O-CB 3.48Å; M189-D193 PolarHBondContact O-N 2.76Å; M189-R430 VanDerWaalsContact SD-CZ 3.53Å; M189-Y433 HydrophobicContact CG-CD2 4.01Å; M189-Y433 HydrophobicContact CG-CE2 4.02Å; M189-Y433 HydrophobicContact SD-CD2 3.62Å; M189-Y433 HydrophobicContact SD-CE2 4.1Å; M189-V607 HydrophobicContact CE-CG2 4.04Å
190	A	96.8	Very high	96.6	Very high	34 Å²	34	73.1 Å²	73.1	28%	0.281	35%	0.354	S	S	.	.	H	α-helix	trans	-57.9	-41.5	176	0	0	0	0	0	111.6	L186 E187 A188 R194 K195 G196	L186-A190 WeakPolarHBondContact O-CB 3.36Å; L186-A190 PolarHBondContact O-N 3.38Å; L186-A190 VanDerWaalsContact O-N 3.09Å; E187-A190 PolarHBondContact O-N 2.85Å; A188-A190 PolarHBondContact O-N 3.42Å; A190-R194 PolarHBondContact O-N 2.81Å; A190-K195 CarbonylContact O-C 3.46Å; A190-K195 WeakPolarHBondContact O-CA 3.2Å; A190-K195 PolarHBondContact O-N 3.05Å; A190-G196 PolarHBondContact O-N 2.91Å
191	Y	97.8	Very high	96.6	Very high	40 Å²	40	74.6 Å²	74.6	16%	0.157	36%	0.36	C	S	.	.	H	α-helix	trans	-68.9	-47.9	176.2	175.9	-116.6	0	0	0	113.4	R135 V138 E187 A188 M189 D193 R194 K198	R135-Y191 HydrophobicContact CB-CD1 4.15Å; R135-Y191 HydrophobicContact CB-CE1 3.54Å; R135-Y191 HydrophobicContact CG-CD1 4.31Å; R135-Y191 HydrophobicContact CG-CE1 3.6Å; R135-Y191 HydrophobicContact CG-CE2 4.17Å; V138-Y191 HydrophobicContact CG1-CD1 3.63Å; V138-Y191 HydrophobicContact CG1-CE1 3.44Å; V138-Y191 VanDerWaalsContact CG1-CE1 3.44Å; E187-Y191 PolarHBondContact O-N 2.59Å; E187-Y191 VanDerWaalsContact O-N 3.09Å; A188-Y191 PolarHBondContact O-N 3.35Å; M189-Y191 VanDerWaalsContact C-N 3.27Å; M189-Y191 PolarHBondContact O-N 3.29Å; Y191-D193 PolarHBondContact O-N 2.66Å; Y191-R194 PolarHBondContact O-N 2.64Å; Y191-K198 HydrophobicContact CD2-CB 3.96Å; Y191-K198 HydrophobicContact CE1-CB 4.48Å; Y191-K198 HydrophobicContact CE1-CG 4.11Å; Y191-K198 HydrophobicContact CE2-CB 3.54Å; Y191-K198 HydrophobicContact CE2-CG 4.02Å
192	L	96.9	Very high	96.6	Very high	4 Å²	4	76 Å²	76	2%	0.021	36%	0.364	C	S	.	.	H	α-helix	trans	-60.7	-29.8	177.9	-68.5	167.8	0	0	0	112.3	R135 F139 A188 M189 D423	R135-L192 HydrophobicContact CB-CD2 4.01Å; R135-L192 PolarHBondContact NH1-O 3.41Å; F139-L192 HydrophobicContact CE2-CD1 3.82Å; F139-L192 HydrophobicContact CE2-CD2 4.23Å; F139-L192 HydrophobicContact CZ-CD1 3.85Å; A188-L192 WeakPolarHBondContact O-CB 3.45Å; A188-L192 WeakPolarHBondContact O-CG 3.1Å; A188-L192 PolarHBondContact O-N 2.63Å; M189-L192 PolarHBondContact O-N 3.21Å; L192-D423 HydrophobicContact CD1-CB 4.12Å
193	D	94.9	Very high	96.7	Very high	65 Å²	65	73.1 Å²	73.1	35%	0.348	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	8.9	179.1	-63.3	-8.9	0	0	0	112.8	M189 Y191 K195 R430	M189-D193 VanDerWaalsContact O-CB 3.29Å; M189-D193 WeakPolarHBondContact O-CB 3.48Å; M189-D193 PolarHBondContact O-N 2.76Å; Y191-D193 PolarHBondContact O-N 2.66Å; D193-K195 VanDerWaalsContact C-N 3.27Å; D193-K195 PolarHBondContact O-N 3.44Å; D193-R430 IonicContact OD1-CZ 3.51Å; D193-R430 IonicContact OD1-NH1 3.88Å; D193-R430 PolarHBondContact OD1-NH1 2.57Å; D193-R430 IonicContact OD1-NH2 3Å; D193-R430 PolarHBondContact OD1-NH2 2.83Å; D193-R430 IonicContact OD2-NH1 3.09Å; D193-R430 PolarHBondContact OD2-NH1 2.71Å
194	R	93.3	Very high	96.7	Very high	199 Å²	199	73 Å²	73	75%	0.751	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	62	26.3	179.2	-50	-174.4	177.5	-172.7	-2.9	115.1	R135 A190 Y191	R135-R194 VanDerWaalsContact NH1-NE 3.19Å; A190-R194 PolarHBondContact O-N 2.81Å; Y191-R194 PolarHBondContact O-N 2.64Å
195	K	91.8	Very high	96.8	Very high	177 Å²	177	66 Å²	66	77%	0.77	32%	0.317	S	S	*	.	S	Bend	trans	-106.9	-10.6	180	-63.1	178.1	-175.8	176.3	0	113.1	A190 D193	A190-K195 CarbonylContact O-C 3.46Å; A190-K195 WeakPolarHBondContact O-CA 3.2Å; A190-K195 PolarHBondContact O-N 3.05Å; D193-K195 VanDerWaalsContact C-N 3.27Å; D193-K195 PolarHBondContact O-N 3.44Å
196	G	92.9	Very high	96.8	Very high	33 Å²	33	63.9 Å²	63.9	34%	0.34	31%	0.309	S	S	.	.	S	Bend	trans	-136.8	169.5	-176	0	0	0	0	0	113.1	A190	A190-G196 PolarHBondContact O-N 2.91Å
197	K	96.8	Very high	96.9	Very high	195 Å²	195	56.8 Å²	56.8	85%	0.848	27%	0.272	S	S	*	.	P	Polyproline II helix	trans	-75	157.5	174	-62.9	-179	-179	178.9	0	110.3
198	K	97.3	Very high	96.9	Very high	117 Å²	117	52.8 Å²	52.8	51%	0.509	25%	0.253	S	S	.	.	P	Polyproline II helix	trans	-56.6	125.8	171.2	-172.9	175.5	178.5	177.3	0	109.3	V138 Y191	V138-K198 HydrophobicContact CG1-CG 4.3Å; Y191-K198 HydrophobicContact CD2-CB 3.96Å; Y191-K198 HydrophobicContact CE1-CB 4.48Å; Y191-K198 HydrophobicContact CE1-CG 4.11Å; Y191-K198 HydrophobicContact CE2-CB 3.54Å; Y191-K198 HydrophobicContact CE2-CG 4.02Å
199	P	97.8	Very high	96.9	Very high	13 Å²	13	53.2 Å²	53.2	8%	0.084	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-58.6	150.5	175.1	-23.5	33.7	0	0	0	111.3	P183 E187 R201	P183-P199 HydrophobicContact CB-CB 3.71Å; P183-P199 HydrophobicContact CB-CG 4.05Å; E187-P199 HydrophobicContact CB-CG 4.2Å; P199-R201 PolarHBondContact O-N 2.89Å
200	V	97.9	Very high	96.9	Very high	84 Å²	84	52.4 Å²	52.4	51%	0.509	25%	0.251	S	S	.	.	P	Polyproline II helix	trans	-63.7	132.1	173.5	-177.5	0	0	0	0	108.4	E202 P222	V200-E202 HydrophobicContact CG1-CG 3.93Å; V200-P222 HydrophobicContact CG1-CB 3.63Å
201	R	98.3	Very high	96.7	Very high	41 Å²	41	57.9 Å²	57.9	16%	0.155	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-88.2	123.3	177.2	-171.2	171	173.3	79.6	-3	108.7	L137 A140 D141 E146 L180 P199 L223	L137-R201 PolarHBondContact O-NH1 3.17Å; L137-R201 VanDerWaalsContact O-NH1 3.16Å; A140-R201 VanDerWaalsContact O-CZ 3.29Å; A140-R201 PolarHBondContact O-NH1 3.36Å; A140-R201 PolarHBondContact O-NH2 3.49Å; D141-R201 PolarHBondContact O-NH2 3.04Å; E146-R201 VanDerWaalsContact OE1-CD 3.31Å; E146-R201 WeakPolarHBondContact OE1-CD 3.4Å; E146-R201 IonicContact OE1-CZ 3.48Å; E146-R201 IonicContact OE1-NE 3.74Å; E146-R201 PolarHBondContact OE1-NE 2.87Å; E146-R201 IonicContact OE1-NH2 2.67Å; E146-R201 IonicContact OE2-CZ 3.19Å; E146-R201 IonicContact OE2-NE 2.69Å; E146-R201 PolarHBondContact OE2-NE 2.97Å; E146-R201 IonicContact OE2-NH2 3.19Å; E146-R201 PolarHBondContact OE2-NH2 3.44Å; L180-R201 HydrophobicContact CD1-CG 4.48Å; P199-R201 PolarHBondContact O-N 2.89Å; R201-L223 HydrophobicContact CB-CB 4.27Å; R201-L223 HydrophobicContact CG-CB 4.15Å; R201-L223 HydrophobicContact CG-CD1 4.16Å; R201-L223 PolarHBondContact O-N 2.97Å
202	E	98.8	Very high	96.6	Very high	47 Å²	47	62.7 Å²	62.7	22%	0.22	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	160.2	-174.5	-59	-177	120	0	0	110.4	S181 V200 V219 V220 Y228	S181-E202 WeakPolarHBondContact CB-O 3.27Å; S181-E202 PolarHBondContact N-O 3.13Å; V200-E202 HydrophobicContact CG1-CG 3.93Å; E202-V219 HydrophobicContact CB-CG1 3.84Å; E202-V219 HydrophobicContact CG-CG1 4.12Å; E202-V219 WeakPolarHBondContact OE1-CG1 3.2Å; E202-V219 WeakPolarHBondContact OE2-CG1 3.26Å; E202-V220 WeakPolarHBondContact CA-O 3.42Å; E202-Y228 VanDerWaalsContact OE1-CE2 3.31Å; E202-Y228 WeakPolarHBondContact OE1-CE2 3.26Å; E202-Y228 VanDerWaalsContact OE1-CZ 3.3Å; E202-Y228 PolarHBondContact OE1-OH 3.09Å
203	A	98.8	Very high	96.6	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	143.1	172.2	0	0	0	0	0	110.8	L142 V150 I178 D179 V219 V220 L223	L142-A203 HydrophobicContact CD1-CB 3.85Å; V150-A203 HydrophobicContact CG1-CB 4.19Å; V150-A203 HydrophobicContact CG2-CB 3.71Å; I178-A203 HydrophobicContact CG2-CB 3.98Å; D179-A203 CarbonylContact O-C 3.52Å; D179-A203 VanDerWaalsContact O-CA 3.31Å; D179-A203 WeakPolarHBondContact O-CA 3.18Å; A203-V219 CarbonylContact O-C 3.43Å; A203-V219 WeakPolarHBondContact O-CA 3.42Å; A203-V220 PolarHBondContact N-O 2.66Å; A203-V220 PolarHBondContact O-N 3.14Å; A203-L223 HydrophobicContact CB-CD1 4.33Å
204	T	98.4	Very high	96.7	Very high	18 Å²	18	64 Å²	64	11%	0.11	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	129.2	161.5	-68	0	0	0	0	108.3	I178 D179 S181 Y218 R236	I178-T204 CarbonylContact C-O 3.6Å; I178-T204 WeakPolarHBondContact CA-O 3.48Å; D179-T204 PolarHBondContact N-O 3.22Å; D179-T204 PolarHBondContact O-N 3.13Å; S181-T204 PolarHBondContact OG-OG1 2.99Å; S181-T204 VanDerWaalsContact OG-OG1 3.12Å; T204-Y218 CarbonylContact C-O 3.48Å; T204-Y218 WeakPolarHBondContact CA-O 3.39Å; T204-R236 PolarHBondContact OG1-NH2 3.42Å
205	V	98.6	Very high	96.9	Very high	0 Å²	0	55 Å²	55	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	128.4	176.1	179	0	0	0	0	109.8	V150 M154 L175 L177 I178 V207 Y218 V220	V150-V205 HydrophobicContact CG1-CG2 3.43Å; V150-V205 VanDerWaalsContact CG1-CG2 3.43Å; M154-V205 HydrophobicContact CE-CB 4.45Å; M154-V205 HydrophobicContact CE-CG1 3.95Å; M154-V205 HydrophobicContact CG-CG1 4.29Å; M154-V205 HydrophobicContact CG-CG2 4.45Å; L175-V205 HydrophobicContact CD1-CG1 4.2Å; L175-V205 HydrophobicContact CD2-CG1 3.99Å; L175-V205 HydrophobicContact CG-CG1 3.87Å; L177-V205 CarbonylContact O-C 3.57Å; L177-V205 VanDerWaalsContact O-CA 3.27Å; L177-V205 WeakPolarHBondContact O-CA 3.36Å; I178-V205 HydrophobicContact CG1-CG2 4.21Å; I178-V205 HydrophobicContact CG2-CG2 4.28Å; V205-V207 HydrophobicContact CG1-CG2 4.09Å; V205-Y218 PolarHBondContact N-O 3.44Å; V205-Y218 PolarHBondContact O-N 3.11Å; V205-V220 HydrophobicContact CB-CG2 4.03Å; V205-V220 HydrophobicContact CG2-CB 4.22Å; V205-V220 HydrophobicContact CG2-CG2 3.48Å; V205-V220 VanDerWaalsContact CG2-CG2 3.48Å
206	V	98	Very high	97.2	Very high	13 Å²	13	47.6 Å²	47.6	8%	0.079	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	124.9	176.1	-175.2	0	0	0	0	109.1	F176 L177 F208 I215 K216	F176-V206 HydrophobicContact CD1-CB 4.35Å; F176-V206 HydrophobicContact CD1-CG1 4.35Å; F176-V206 PolarHBondContact N-O 2.77Å; L177-V206 HydrophobicContact CB-CB 3.91Å; L177-V206 HydrophobicContact CB-CG2 3.88Å; L177-V206 HydrophobicContact CD2-CG2 3.82Å; L177-V206 HydrophobicContact CG-CG2 4.35Å; L177-V206 PolarHBondContact N-O 3.44Å; L177-V206 PolarHBondContact O-N 2.93Å; V206-F208 HydrophobicContact CG1-CD1 4.21Å; V206-F208 HydrophobicContact CG1-CE1 3.76Å; V206-I215 HydrophobicContact CG1-CG2 3.74Å; V206-K216 WeakPolarHBondContact CA-O 3.25Å
207	V	98.3	Very high	97.4	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	127.5	176.8	-175	0	0	0	0	109.5	M154 I162 F174 V205 Y209 K216 Y218	M154-V207 HydrophobicContact CE-CG2 4.23Å; I162-V207 HydrophobicContact CD1-CG2 4.43Å; I162-V207 HydrophobicContact CG1-CG1 4.39Å; F174-V207 CarbonylContact O-C 3.56Å; F174-V207 WeakPolarHBondContact O-CA 3.27Å; V205-V207 HydrophobicContact CG1-CG2 4.09Å; V207-Y209 HydrophobicContact CB-CE2 3.94Å; V207-Y209 HydrophobicContact CG1-CD2 4.21Å; V207-Y209 HydrophobicContact CG1-CE1 4.35Å; V207-Y209 HydrophobicContact CG1-CE2 3.71Å; V207-K216 PolarHBondContact N-O 3.26Å; V207-K216 PolarHBondContact O-N 3.26Å; V207-Y218 HydrophobicContact CB-CD2 4.46Å; V207-Y218 HydrophobicContact CB-CE2 4.08Å; V207-Y218 HydrophobicContact CG2-CD2 3.94Å; V207-Y218 HydrophobicContact CG2-CE2 3.92Å
208	F	98.1	Very high	97.5	Very high	10 Å²	10	38 Å²	38	4%	0.044	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	132	169.1	-62	-15.1	0	0	0	108.8	N173 F174 F176 V206 I215 I243 R246 L247 T249	N173-F208 CarbonylContact C-O 2.99Å; N173-F208 WeakPolarHBondContact CA-O 3.32Å; F174-F208 HydrophobicContact CB-CB 4.29Å; F174-F208 HydrophobicContact CD1-CD2 4.06Å; F174-F208 HydrophobicContact CD1-CE2 4.47Å; F174-F208 PolarHBondContact N-O 2.81Å; F174-F208 PolarHBondContact O-N 3.06Å; F176-F208 HydrophobicContact CB-CD1 4.19Å; F176-F208 HydrophobicContact CB-CD2 3.99Å; F176-F208 HydrophobicContact CB-CE1 3.87Å; F176-F208 HydrophobicContact CB-CE2 3.66Å; F176-F208 HydrophobicContact CB-CG 4.24Å; F176-F208 HydrophobicContact CB-CZ 3.59Å; F176-F208 HydrophobicContact CD1-CE1 4.09Å; F176-F208 HydrophobicContact CD1-CE2 4.26Å; F176-F208 AromaticContact CD1-CZ 3.57Å; F176-F208 HydrophobicContact CD1-CZ 3.57Å; F176-F208 HydrophobicContact CD2-CD2 4.3Å; F176-F208 AromaticContact CD2-CE2 3.37Å; F176-F208 HydrophobicContact CD2-CE2 3.37Å; F176-F208 AromaticContact CD2-CZ 3.55Å; F176-F208 HydrophobicContact CD2-CZ 3.55Å; F176-F208 HydrophobicContact CE1-CZ 4.24Å; F176-F208 HydrophobicContact CE2-CE2 4.16Å; F176-F208 HydrophobicContact CE2-CZ 4.21Å; F176-F208 HydrophobicContact CG-CD2 4.29Å; F176-F208 AromaticContact CG-CE1 3.91Å; F176-F208 HydrophobicContact CG-CE1 3.91Å; F176-F208 AromaticContact CG-CE2 3.46Å; F176-F208 HydrophobicContact CG-CE2 3.46Å; F176-F208 VanDerWaalsContact CG-CE2 3.46Å; F176-F208 AromaticContact CG-CZ 3.22Å; F176-F208 HydrophobicContact CG-CZ 3.22Å; V206-F208 HydrophobicContact CG1-CD1 4.21Å; V206-F208 HydrophobicContact CG1-CE1 3.76Å; F208-I215 HydrophobicContact CD1-CB 4.31Å; F208-I215 HydrophobicContact CD1-CG1 3.86Å; F208-I215 HydrophobicContact CD1-CG2 3.86Å; F208-I215 HydrophobicContact CE1-CD1 4.34Å; F208-I215 HydrophobicContact CE1-CG1 4.16Å; F208-I215 HydrophobicContact CE1-CG2 3.9Å; F208-I243 HydrophobicContact CB-CD1 3.92Å; F208-I243 HydrophobicContact CG-CD1 4.43Å; F208-R246 HydrophobicContact CD1-CB 4.38Å; F208-R246 HydrophobicContact CD2-CB 4.27Å; F208-R246 HydrophobicContact CE1-CB 3.92Å; F208-R246 HydrophobicContact CE2-CB 3.79Å; F208-R246 HydrophobicContact CE2-CG 4.32Å; F208-R246 HydrophobicContact CZ-CB 3.61Å; F208-L247 HydrophobicContact CZ-CD2 4.14Å; F208-T249 HydrophobicContact CD2-CG2 4.2Å; F208-T249 HydrophobicContact CE2-CG2 3.85Å
209	Y	97.8	Very high	97.6	Very high	10 Å²	10	32.7 Å²	32.7	4%	0.039	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	88.3	173.1	-68.7	-88.8	0	0	0	109.5	L160 N173 V207 K212 G213 Q214 K216 Y218	L160-Y209 WeakPolarHBondContact CD2-OH 3.35Å; N173-Y209 HydrophobicContact CB-CD1 4.29Å; N173-Y209 VanDerWaalsContact CG-CD1 3.47Å; N173-Y209 WeakPolarHBondContact ND2-CD1 3.31Å; N173-Y209 WeakPolarHBondContact OD1-CA 3.46Å; N173-Y209 WeakPolarHBondContact OD1-CD1 3.34Å; V207-Y209 HydrophobicContact CB-CE2 3.94Å; V207-Y209 HydrophobicContact CG1-CD2 4.21Å; V207-Y209 HydrophobicContact CG1-CE1 4.35Å; V207-Y209 HydrophobicContact CG1-CE2 3.71Å; Y209-K212 HydrophobicContact CD1-CD 4.2Å; Y209-K212 HydrophobicContact CG-CD 4.45Å; Y209-K212 PolarHBondContact O-N 3.24Å; Y209-G213 PolarHBondContact O-N 3Å; Y209-Q214 PolarHBondContact N-O 2.8Å; Y209-Q214 PolarHBondContact O-N 3.35Å; Y209-K216 HydrophobicContact CD2-CB 4.31Å; Y209-K216 HydrophobicContact CD2-CG 3.84Å; Y209-K216 HydrophobicContact CE2-CB 3.82Å; Y209-K216 HydrophobicContact CE2-CG 3.58Å; Y209-Y218 HydrophobicContact CE2-CE2 4.32Å; Y209-Y218 PolarHBondContact OH-OH 2.68Å
210	G	95.4	Very high	97.6	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.01	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-59.6	-170.7	0	0	0	0	0	114	P170 S171 E172 K212 G213	P170-G210 WeakPolarHBondContact O-CA 3.38Å; S171-G210 CarbonylContact O-C 3.58Å; S171-G210 WeakPolarHBondContact O-CA 3.4Å; E172-G210 WeakPolarHBondContact O-CA 3.37Å; E172-G210 PolarHBondContact O-N 2.87Å; E172-G210 VanDerWaalsContact O-N 3.1Å; G210-K212 VanDerWaalsContact C-N 3.3Å; G210-K212 PolarHBondContact O-N 3.48Å; G210-G213 PolarHBondContact O-N 3Å; G210-G213 VanDerWaalsContact O-N 3.11Å
211	M	94.1	Very high	97.7	Very high	148 Å²	148	28.1 Å²	28.1	73%	0.729	14%	0.138	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-33.2	178.9	-74.8	-52.7	-67.8	0	0	113.5	S171 G213	S171-M211 VanDerWaalsContact O-CG 3.28Å; S171-M211 WeakPolarHBondContact O-CG 3.32Å; S171-M211 PolarHBondContact O-N 2.73Å; M211-G213 VanDerWaalsContact C-N 3.26Å; M211-G213 PolarHBondContact O-N 3.25Å
212	K	95.3	Very high	97.7	Very high	142 Å²	142	28.6 Å²	28.6	62%	0.617	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-13	178.1	-62.5	-176.5	177.7	176.3	0	112.6	Y209 G210	Y209-K212 HydrophobicContact CD1-CD 4.2Å; Y209-K212 HydrophobicContact CG-CD 4.45Å; Y209-K212 PolarHBondContact O-N 3.24Å; G210-K212 VanDerWaalsContact C-N 3.3Å; G210-K212 PolarHBondContact O-N 3.48Å
213	G	96.1	Very high	97.7	Very high	27 Å²	27	27.3 Å²	27.3	28%	0.278	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.3	30	179.6	0	0	0	0	0	114.1	Y209 G210 M211 I243	Y209-G213 PolarHBondContact O-N 3Å; G210-G213 PolarHBondContact O-N 3Å; G210-G213 VanDerWaalsContact O-N 3.11Å; M211-G213 VanDerWaalsContact C-N 3.26Å; M211-G213 PolarHBondContact O-N 3.25Å; G213-I243 VanDerWaalsContact C-CB 3.45Å; G213-I243 PolarHBondContact O-N 2.91Å
214	Q	96.8	Very high	97.6	Very high	68 Å²	68	30.3 Å²	30.3	32%	0.318	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	155.1	-174.6	-68.1	177.3	-15.2	0	0	113.7	Y209 L241 I243	Y209-Q214 PolarHBondContact N-O 2.8Å; Y209-Q214 PolarHBondContact O-N 3.35Å; Q214-L241 CarbonylContact C-O 3.35Å; Q214-L241 WeakPolarHBondContact CA-O 3.4Å; Q214-I243 WeakPolarHBondContact O-CD1 3.43Å
215	I	98.1	Very high	97.5	Very high	11 Å²	11	35.4 Å²	35.4	6%	0.056	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	137.2	169.9	-57	165.8	0	0	0	107.3	V206 F208 L241 I243 K245 R246	V206-I215 HydrophobicContact CG1-CG2 3.74Å; F208-I215 HydrophobicContact CD1-CB 4.31Å; F208-I215 HydrophobicContact CD1-CG1 3.86Å; F208-I215 HydrophobicContact CD1-CG2 3.86Å; F208-I215 HydrophobicContact CE1-CD1 4.34Å; F208-I215 HydrophobicContact CE1-CG1 4.16Å; F208-I215 HydrophobicContact CE1-CG2 3.9Å; I215-L241 HydrophobicContact CB-CB 3.83Å; I215-L241 HydrophobicContact CB-CD1 4.35Å; I215-L241 HydrophobicContact CG2-CD1 4.21Å; I215-L241 PolarHBondContact N-O 2.9Å; I215-I243 HydrophobicContact CG1-CD1 4.12Å; I215-K245 HydrophobicContact CD1-CB 4.2Å; I215-R246 HydrophobicContact CD1-CB 3.77Å; I215-R246 HydrophobicContact CG1-CB 4.43Å
216	K	98.1	Very high	97.5	Very high	21 Å²	21	36.5 Å²	36.5	9%	0.091	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	137.8	175.6	-63.7	-63.5	-164.7	167.6	0	111.5	V206 V207 Y209 Y218 D231 T233 E240	V206-K216 WeakPolarHBondContact CA-O 3.25Å; V207-K216 PolarHBondContact N-O 3.26Å; V207-K216 PolarHBondContact O-N 3.26Å; Y209-K216 HydrophobicContact CD2-CB 4.31Å; Y209-K216 HydrophobicContact CD2-CG 3.84Å; Y209-K216 HydrophobicContact CE2-CB 3.82Å; Y209-K216 HydrophobicContact CE2-CG 3.58Å; K216-Y218 HydrophobicContact CB-CD2 4.29Å; K216-Y218 HydrophobicContact CB-CE2 3.51Å; K216-Y218 HydrophobicContact CG-CE2 4.48Å; K216-D231 WeakPolarHBondContact CD-OD2 3.36Å; K216-D231 WeakPolarHBondContact CE-OD2 3.19Å; K216-D231 IonicContact NZ-OD2 2.67Å; K216-D231 PolarHBondContact NZ-OD2 2.97Å; K216-T233 WeakPolarHBondContact CA-OG1 3.32Å; K216-T233 HydrophobicContact CD-CG2 4.44Å; K216-T233 WeakPolarHBondContact CD-OG1 3.39Å; K216-E240 WeakPolarHBondContact CE-OE2 3.26Å; K216-E240 VanDerWaalsContact NZ-CD 3.3Å; K216-E240 IonicContact NZ-OE1 3.42Å; K216-E240 PolarHBondContact NZ-OE1 3.01Å; K216-E240 VanDerWaalsContact NZ-OE1 3.08Å; K216-E240 IonicContact NZ-OE2 2.93Å; K216-E240 PolarHBondContact NZ-OE2 3.1Å
217	D	97.8	Very high	97.5	Very high	6 Å²	6	39.4 Å²	39.4	3%	0.032	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	126.8	170	-87.8	28.8	0	0	0	109.5	V232 T233 R236 Y237	D217-V232 HydrophobicContact CB-CG2 3.95Å; D217-V232 WeakPolarHBondContact O-CG2 3.28Å; D217-V232 PolarHBondContact O-N 2.7Å; D217-T233 PolarHBondContact N-OG1 3.09Å; D217-R236 IonicContact OD2-CZ 3.7Å; D217-R236 IonicContact OD2-NH1 3.79Å; D217-R236 PolarHBondContact OD2-NH1 2.98Å; D217-Y237 HydrophobicContact CB-CE2 4.43Å; D217-Y237 WeakPolarHBondContact OD2-CE2 3.31Å; D217-Y237 PolarHBondContact OD2-OH 3.25Å
218	Y	98.6	Very high	97.5	Very high	21 Å²	21	43.4 Å²	43.4	8%	0.082	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	146.3	175	-63.1	-83.2	0	0	0	111	M154 T204 V205 V207 Y209 K216 H229 R230 D231	M154-Y218 HydrophobicContact CE-CD2 4.09Å; M154-Y218 HydrophobicContact CE-CG 4.24Å; T204-Y218 CarbonylContact C-O 3.48Å; T204-Y218 WeakPolarHBondContact CA-O 3.39Å; V205-Y218 PolarHBondContact N-O 3.44Å; V205-Y218 PolarHBondContact O-N 3.11Å; V207-Y218 HydrophobicContact CB-CD2 4.46Å; V207-Y218 HydrophobicContact CB-CE2 4.08Å; V207-Y218 HydrophobicContact CG2-CD2 3.94Å; V207-Y218 HydrophobicContact CG2-CE2 3.92Å; Y209-Y218 HydrophobicContact CE2-CE2 4.32Å; Y209-Y218 PolarHBondContact OH-OH 2.68Å; K216-Y218 HydrophobicContact CB-CD2 4.29Å; K216-Y218 HydrophobicContact CB-CE2 3.51Å; K216-Y218 HydrophobicContact CG-CE2 4.48Å; Y218-H229 AromaticContact CD1-CD2 3.8Å; Y218-H229 AromaticContact CE1-CD2 3.98Å; Y218-R230 CarbonylContact C-O 3.59Å; Y218-R230 VanDerWaalsContact CA-O 3.24Å; Y218-R230 WeakPolarHBondContact CA-O 3.5Å; Y218-D231 HydrophobicContact CD1-CB 4.14Å; Y218-D231 HydrophobicContact CE1-CB 3.79Å
219	V	98.6	Very high	97.5	Very high	6 Å²	6	45.2 Å²	45.2	4%	0.036	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	128.3	158.9	174.4	0	0	0	0	108	E202 A203 H229 R230 V232	E202-V219 HydrophobicContact CB-CG1 3.84Å; E202-V219 HydrophobicContact CG-CG1 4.12Å; E202-V219 WeakPolarHBondContact OE1-CG1 3.2Å; E202-V219 WeakPolarHBondContact OE2-CG1 3.26Å; A203-V219 CarbonylContact O-C 3.43Å; A203-V219 WeakPolarHBondContact O-CA 3.42Å; V219-H229 CarbonylContact O-C 3.52Å; V219-H229 VanDerWaalsContact O-CA 3.24Å; V219-H229 WeakPolarHBondContact O-CA 3.47Å; V219-R230 PolarHBondContact N-O 2.79Å; V219-R230 PolarHBondContact O-N 2.98Å; V219-V232 HydrophobicContact CB-CG1 4.3Å; V219-V232 HydrophobicContact CG2-CB 4.47Å; V219-V232 HydrophobicContact CG2-CG1 3.77Å; V219-V232 HydrophobicContact CG2-CG2 3.94Å
220	V	98.8	Very high	97.6	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	129.6	-177.4	-174.5	0	0	0	0	109.7	V150 Y153 M154 E202 A203 V205 P226 Y228 H229	V150-V220 HydrophobicContact CG1-CB 4.23Å; V150-V220 HydrophobicContact CG1-CG1 4.15Å; V150-V220 HydrophobicContact CG1-CG2 4.46Å; Y153-V220 HydrophobicContact CD1-CG1 3.65Å; Y153-V220 HydrophobicContact CE1-CG1 3.91Å; M154-V220 HydrophobicContact CE-CG2 4.39Å; M154-V220 HydrophobicContact CG-CG2 4.27Å; M154-V220 HydrophobicContact SD-CG1 4.45Å; M154-V220 HydrophobicContact SD-CG2 3.59Å; M154-V220 VanDerWaalsContact SD-CG2 3.59Å; E202-V220 WeakPolarHBondContact CA-O 3.42Å; A203-V220 PolarHBondContact N-O 2.66Å; A203-V220 PolarHBondContact O-N 3.14Å; V205-V220 HydrophobicContact CB-CG2 4.03Å; V205-V220 HydrophobicContact CG2-CB 4.22Å; V205-V220 HydrophobicContact CG2-CG2 3.48Å; V205-V220 VanDerWaalsContact CG2-CG2 3.48Å; V220-P226 HydrophobicContact CG1-CB 3.83Å; V220-Y228 WeakPolarHBondContact CA-O 3.41Å; V220-H229 HydrophobicContact CG2-CB 3.9Å
221	G	98.4	Very high	97.7	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-172.2	-176.7	-177.1	0	0	0	0	0	113.7	A227 Y228	G221-A227 PolarHBondContact O-N 3.46Å; G221-Y228 VanDerWaalsContact C-CZ 3.5Å; G221-Y228 PolarHBondContact N-O 3.28Å; G221-Y228 VanDerWaalsContact N-O 3.11Å; G221-Y228 WeakPolarHBondContact O-CD1 3.49Å; G221-Y228 WeakPolarHBondContact O-CE1 3.34Å; G221-Y228 PolarHBondContact O-N 3.09Å
222	P	98.4	Very high	97.9	Very high	52 Å²	52	46.6 Å²	46.6	34%	0.338	25%	0.246	S	C	.	.	S	Bend	cis	-77.9	148.8	-11.8	34.6	-32.9	0	0	0	111.1	V200 N225 P226	V200-P222 HydrophobicContact CG1-CB 3.63Å; P222-N225 CarbonylContact O-C 3.51Å; P222-N225 PolarHBondContact O-N 3.43Å; P222-P226 WeakPolarHBondContact O-CA 3.36Å; P222-P226 VanDerWaalsContact O-N 3.15Å
223	L	98.4	Very high	97.9	Very high	19 Å²	19	39.8 Å²	39.8	10%	0.099	22%	0.216	C	C	.	.	S	Bend	trans	-83	146.6	172.7	-67.6	170.5	0	0	0	111.8	L142 E146 V150 R201 A203	L142-L223 HydrophobicContact CD2-CD1 3.47Å; L142-L223 VanDerWaalsContact CD2-CD1 3.47Å; E146-L223 HydrophobicContact CB-CD1 4.46Å; E146-L223 HydrophobicContact CB-CD2 4.5Å; V150-L223 HydrophobicContact CG2-CD1 4.45Å; V150-L223 HydrophobicContact CG2-CD2 3.48Å; V150-L223 VanDerWaalsContact CG2-CD2 3.48Å; V150-L223 HydrophobicContact CG2-CG 4.46Å; R201-L223 HydrophobicContact CB-CB 4.27Å; R201-L223 HydrophobicContact CG-CB 4.15Å; R201-L223 HydrophobicContact CG-CD1 4.16Å; R201-L223 PolarHBondContact O-N 2.97Å; A203-L223 HydrophobicContact CB-CD1 4.33Å
224	P	96.6	Very high	98	Very high	63 Å²	63	43.2 Å²	43.2	41%	0.409	23%	0.225	S	C	.	.	S	Bend	cis	-86.1	-5.9	6.9	33.4	-36.6	0	0	0	115.7	Q149 P226	Q149-P224 WeakPolarHBondContact CB-O 3.47Å; Q149-P224 WeakPolarHBondContact CG-O 3.41Å; Q149-P224 PolarHBondContact NE2-O 2.89Å; Q149-P224 PolarHBondContact OE1-O 2.83Å; P224-P226 VanDerWaalsContact C-CD 3.48Å; P224-P226 WeakPolarHBondContact O-CD 3.31Å
225	N	97.6	Very high	97.9	Very high	126 Å²	126	44.9 Å²	44.9	67%	0.674	23%	0.233	S	C	*	.	S	Bend	trans	-110.4	78.3	-176.2	-62.4	-59.3	0	0	0	110.3	P222 A227	P222-N225 CarbonylContact O-C 3.51Å; P222-N225 PolarHBondContact O-N 3.43Å; N225-A227 PolarHBondContact O-N 3.17Å
226	P	98.3	Very high	97.8	Very high	22 Å²	22	48.5 Å²	48.5	14%	0.143	25%	0.246	C	C	.	.			trans	-59.8	133.3	-175.7	25.9	-35.8	0	0	0	111	Q149 Y153 V220 P222 P224	Q149-P226 HydrophobicContact CB-CG 4.42Å; Y153-P226 HydrophobicContact CD1-CB 4.31Å; Y153-P226 HydrophobicContact CD2-CB 4.13Å; Y153-P226 HydrophobicContact CD2-CG 4.25Å; Y153-P226 VanDerWaalsContact CD2-O 3.27Å; Y153-P226 WeakPolarHBondContact CD2-O 3.49Å; Y153-P226 HydrophobicContact CG-CB 3.9Å; Y153-P226 HydrophobicContact CG-CG 3.93Å; V220-P226 HydrophobicContact CG1-CB 3.83Å; P222-P226 WeakPolarHBondContact O-CA 3.36Å; P222-P226 VanDerWaalsContact O-N 3.15Å; P224-P226 VanDerWaalsContact C-CD 3.48Å; P224-P226 WeakPolarHBondContact O-CD 3.31Å
227	A	98.3	Very high	97.6	Very high	75 Å²	75	52.8 Å²	52.8	62%	0.62	26%	0.262	S	S	*	.			trans	-127.5	-15	-175.9	0	0	0	0	0	112.9	G221 N225	G221-A227 PolarHBondContact O-N 3.46Å; N225-A227 PolarHBondContact O-N 3.17Å
228	Y	98.4	Very high	97.6	Very high	84 Å²	84	59.8 Å²	59.8	33%	0.329	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	156.6	176.4	62.4	-100.1	0	0	0	111.8	Y153 E202 V220 G221	Y153-Y228 WeakPolarHBondContact OH-CA 3.43Å; Y153-Y228 PolarHBondContact OH-N 2.85Å; E202-Y228 VanDerWaalsContact OE1-CE2 3.31Å; E202-Y228 WeakPolarHBondContact OE1-CE2 3.26Å; E202-Y228 VanDerWaalsContact OE1-CZ 3.3Å; E202-Y228 PolarHBondContact OE1-OH 3.09Å; V220-Y228 WeakPolarHBondContact CA-O 3.41Å; G221-Y228 VanDerWaalsContact C-CZ 3.5Å; G221-Y228 PolarHBondContact N-O 3.28Å; G221-Y228 VanDerWaalsContact N-O 3.11Å; G221-Y228 WeakPolarHBondContact O-CD1 3.49Å; G221-Y228 WeakPolarHBondContact O-CE1 3.34Å; G221-Y228 PolarHBondContact O-N 3.09Å
229	H	98.5	Very high	97.3	Very high	48 Å²	48	62.6 Å²	62.6	22%	0.222	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	148.2	159.2	62.8	-91.3	0	0	0	109	Y153 M154 E159 Y218 V219 V220	Y153-H229 HydrophobicContact CE1-CB 3.93Å; Y153-H229 AromaticContact CE1-ND1 3.58Å; Y153-H229 AromaticContact CZ-ND1 3.79Å; Y153-H229 PolarHBondContact OH-N 3.29Å; Y153-H229 PolarHBondContact OH-ND1 3.19Å; M154-H229 HydrophobicContact SD-CB 4Å; E159-H229 IonicContact OE1-CE1 3.21Å; E159-H229 PolarHBondContact OE1-CE1 3.4Å; E159-H229 IonicContact OE1-NE2 2.78Å; Y218-H229 AromaticContact CD1-CD2 3.8Å; Y218-H229 AromaticContact CE1-CD2 3.98Å; V219-H229 CarbonylContact O-C 3.52Å; V219-H229 VanDerWaalsContact O-CA 3.24Å; V219-H229 WeakPolarHBondContact O-CA 3.47Å; V220-H229 HydrophobicContact CG2-CB 3.9Å
230	R	97.9	Very high	97.1	Very high	120 Å²	120	66.3 Å²	66.3	45%	0.453	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	127.3	179.3	-176.9	173.2	63	89.3	1.1	110.3	Y218 V219 V232 E235	Y218-R230 CarbonylContact C-O 3.59Å; Y218-R230 VanDerWaalsContact CA-O 3.24Å; Y218-R230 WeakPolarHBondContact CA-O 3.5Å; V219-R230 PolarHBondContact N-O 2.79Å; V219-R230 PolarHBondContact O-N 2.98Å; R230-V232 VanDerWaalsContact CZ-CG1 3.49Å; R230-V232 PolarHBondContact O-N 3.49Å; R230-E235 IonicContact CZ-OE2 3.67Å; R230-E235 IonicContact NH1-OE2 3.87Å; R230-E235 PolarHBondContact NH1-OE2 3.19Å; R230-E235 IonicContact NH2-OE2 2.74Å
231	D	97.9	Very high	97	Very high	65 Å²	65	67.2 Å²	67.2	35%	0.348	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	122.6	171.5	-175.1	-8	0	0	0	109	K216 Y218 T233	K216-D231 WeakPolarHBondContact CD-OD2 3.36Å; K216-D231 WeakPolarHBondContact CE-OD2 3.19Å; K216-D231 IonicContact NZ-OD2 2.67Å; K216-D231 PolarHBondContact NZ-OD2 2.97Å; Y218-D231 HydrophobicContact CD1-CB 4.14Å; Y218-D231 HydrophobicContact CE1-CB 3.79Å; D231-T233 WeakPolarHBondContact OD1-CB 3.42Å; D231-T233 PolarHBondContact OD1-N 2.91Å; D231-T233 PolarHBondContact OD1-OG1 3.35Å
232	V	97.8	Very high	96.9	Very high	2 Å²	2	69.6 Å²	69.6	1%	0.012	34%	0.344	C	S	.	.			trans	-119.1	10.1	179.4	-63.5	0	0	0	0	112.3	D217 V219 R230 Q234 E235 R236	D217-V232 HydrophobicContact CB-CG2 3.95Å; D217-V232 WeakPolarHBondContact O-CG2 3.28Å; D217-V232 PolarHBondContact O-N 2.7Å; V219-V232 HydrophobicContact CB-CG1 4.3Å; V219-V232 HydrophobicContact CG2-CB 4.47Å; V219-V232 HydrophobicContact CG2-CG1 3.77Å; V219-V232 HydrophobicContact CG2-CG2 3.94Å; R230-V232 VanDerWaalsContact CZ-CG1 3.49Å; R230-V232 PolarHBondContact O-N 3.49Å; V232-Q234 PolarHBondContact O-N 2.64Å; V232-E235 HydrophobicContact CB-CB 4.45Å; V232-E235 WeakPolarHBondContact O-CB 3.48Å; V232-E235 PolarHBondContact O-N 3.25Å; V232-E235 VanDerWaalsContact O-N 3.16Å; V232-R236 HydrophobicContact CB-CG 4.42Å; V232-R236 HydrophobicContact CG2-CG 4.28Å; V232-R236 WeakPolarHBondContact O-CG 3.4Å; V232-R236 PolarHBondContact O-N 2.84Å
233	T	97.4	Very high	96.8	Very high	0 Å²	0	67.8 Å²	67.8	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-57	-53.1	-175.2	-48.2	0	0	0	0	111.1	K216 D217 D231 E235 R236 Y237 L241	K216-T233 WeakPolarHBondContact CA-OG1 3.32Å; K216-T233 HydrophobicContact CD-CG2 4.44Å; K216-T233 WeakPolarHBondContact CD-OG1 3.39Å; D217-T233 PolarHBondContact N-OG1 3.09Å; D231-T233 WeakPolarHBondContact OD1-CB 3.42Å; D231-T233 PolarHBondContact OD1-N 2.91Å; D231-T233 PolarHBondContact OD1-OG1 3.35Å; T233-E235 VanDerWaalsContact C-N 3.32Å; T233-E235 PolarHBondContact O-N 2.01Å; T233-R236 PolarHBondContact O-N 2.96Å; T233-Y237 HydrophobicContact CG2-CD2 4.22Å; T233-Y237 WeakPolarHBondContact O-CD2 3.48Å; T233-Y237 PolarHBondContact O-N 3.5Å; T233-L241 HydrophobicContact CG2-CB 4.38Å; T233-L241 HydrophobicContact CG2-CD1 3.95Å; T233-L241 HydrophobicContact CG2-CG 3.83Å
234	Q	96.8	Very high	96.7	Very high	99 Å²	99	68.4 Å²	68.4	46%	0.463	34%	0.336	S	S	.	.	H	α-helix	trans	-67.8	-32.5	179.1	-172	61.8	17.4	0	0	112.3	V232 K238	V232-Q234 PolarHBondContact O-N 2.64Å; Q234-K238 PolarHBondContact NE2-O 3.42Å; Q234-K238 WeakPolarHBondContact O-CA 3.3Å; Q234-K238 PolarHBondContact O-N 3.12Å; Q234-K238 VanDerWaalsContact O-N 3.14Å
235	E	96.1	Very high	96.5	Very high	102 Å²	102	70.8 Å²	70.8	48%	0.477	34%	0.34	S	S	.	.	H	α-helix	trans	-63.7	-46.1	176.5	-174.5	-171.8	144.4	0	0	111	R230 V232 T233 K238	R230-E235 IonicContact CZ-OE2 3.67Å; R230-E235 IonicContact NH1-OE2 3.87Å; R230-E235 PolarHBondContact NH1-OE2 3.19Å; R230-E235 IonicContact NH2-OE2 2.74Å; V232-E235 HydrophobicContact CB-CB 4.45Å; V232-E235 WeakPolarHBondContact O-CB 3.48Å; V232-E235 PolarHBondContact O-N 3.25Å; V232-E235 VanDerWaalsContact O-N 3.16Å; T233-E235 VanDerWaalsContact C-N 3.32Å; T233-E235 PolarHBondContact O-N 2.01Å; E235-K238 WeakPolarHBondContact O-CE 3.29Å; E235-K238 PolarHBondContact O-NZ 2.92Å
236	R	95.1	Very high	96.4	Very high	88 Å²	88	65.2 Å²	65.2	33%	0.332	31%	0.31	S	S	.	.	H	α-helix	trans	-76.9	-50.7	-175.9	-70.7	-178.6	178.3	179.4	-1.5	113.1	T204 D217 V232 T233	T204-R236 PolarHBondContact OG1-NH2 3.42Å; D217-R236 IonicContact OD2-CZ 3.7Å; D217-R236 IonicContact OD2-NH1 3.79Å; D217-R236 PolarHBondContact OD2-NH1 2.98Å; V232-R236 HydrophobicContact CB-CG 4.42Å; V232-R236 HydrophobicContact CG2-CG 4.28Å; V232-R236 WeakPolarHBondContact O-CG 3.4Å; V232-R236 PolarHBondContact O-N 2.84Å; T233-R236 PolarHBondContact O-N 2.96Å
237	Y	94.7	Very high	96.1	Very high	110 Å²	110	65.2 Å²	65.2	43%	0.431	31%	0.308	S	S	.	.	H	α-helix	trans	-101.6	-10.9	-167.1	-58.8	-72	0	0	0	113.8	D217 T233 M239 L241	D217-Y237 HydrophobicContact CB-CE2 4.43Å; D217-Y237 WeakPolarHBondContact OD2-CE2 3.31Å; D217-Y237 PolarHBondContact OD2-OH 3.25Å; T233-Y237 HydrophobicContact CG2-CD2 4.22Å; T233-Y237 WeakPolarHBondContact O-CD2 3.48Å; T233-Y237 PolarHBondContact O-N 3.5Å; Y237-M239 PolarHBondContact O-N 2.89Å; Y237-M239 VanDerWaalsContact O-N 3.09Å; Y237-L241 HydrophobicContact CD2-CD1 3.68Å; Y237-L241 HydrophobicContact CD2-CD2 4.32Å; Y237-L241 HydrophobicContact CD2-CG 4.14Å; Y237-L241 HydrophobicContact CE2-CD1 3.71Å; Y237-L241 HydrophobicContact CG-CD1 4.28Å; Y237-L241 HydrophobicContact CG-CD2 4.12Å; Y237-L241 HydrophobicContact CG-CG 4.43Å
238	K	96.4	Very high	95.9	Very high	153 Å²	153	61.8 Å²	61.8	67%	0.665	28%	0.279	S	S	*	.	S	Bend	trans	56	21.8	-173	-47.4	-53.5	-175.2	-164	0	113	Q234 E235	Q234-K238 PolarHBondContact NE2-O 3.42Å; Q234-K238 WeakPolarHBondContact O-CA 3.3Å; Q234-K238 PolarHBondContact O-N 3.12Å; Q234-K238 VanDerWaalsContact O-N 3.14Å; E235-K238 WeakPolarHBondContact O-CE 3.29Å; E235-K238 PolarHBondContact O-NZ 2.92Å
239	M	93.8	Very high	95.8	Very high	81 Å²	81	58 Å²	58	40%	0.399	27%	0.265	S	S	.	.	S	Bend	trans	-154.1	156	177.7	66.8	-179.8	-64.1	0	0	110.6	Y237 L241	Y237-M239 PolarHBondContact O-N 2.89Å; Y237-M239 VanDerWaalsContact O-N 3.09Å; M239-L241 HydrophobicContact CG-CD2 4.18Å; M239-L241 HydrophobicContact SD-CD2 4.4Å
240	E	94.4	Very high	95.7	Very high	83 Å²	83	58.6 Å²	58.6	39%	0.388	27%	0.269	S	S	.	.			trans	-70.2	141.4	160.5	-70.5	-64.2	161.7	0	0	109.8	K216 P242	K216-E240 WeakPolarHBondContact CE-OE2 3.26Å; K216-E240 VanDerWaalsContact NZ-CD 3.3Å; K216-E240 IonicContact NZ-OE1 3.42Å; K216-E240 PolarHBondContact NZ-OE1 3.01Å; K216-E240 VanDerWaalsContact NZ-OE1 3.08Å; K216-E240 IonicContact NZ-OE2 2.93Å; K216-E240 PolarHBondContact NZ-OE2 3.1Å; E240-P242 WeakPolarHBondContact O-CD 3.4Å
241	L	96.5	Very high	95.6	Very high	20 Å²	20	53 Å²	53	11%	0.105	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	110.7	-178.2	-66.5	179.2	0	0	0	110.4	Q214 I215 T233 Y237 M239 K245	Q214-L241 CarbonylContact C-O 3.35Å; Q214-L241 WeakPolarHBondContact CA-O 3.4Å; I215-L241 HydrophobicContact CB-CB 3.83Å; I215-L241 HydrophobicContact CB-CD1 4.35Å; I215-L241 HydrophobicContact CG2-CD1 4.21Å; I215-L241 PolarHBondContact N-O 2.9Å; T233-L241 HydrophobicContact CG2-CB 4.38Å; T233-L241 HydrophobicContact CG2-CD1 3.95Å; T233-L241 HydrophobicContact CG2-CG 3.83Å; Y237-L241 HydrophobicContact CD2-CD1 3.68Å; Y237-L241 HydrophobicContact CD2-CD2 4.32Å; Y237-L241 HydrophobicContact CD2-CG 4.14Å; Y237-L241 HydrophobicContact CE2-CD1 3.71Å; Y237-L241 HydrophobicContact CG-CD1 4.28Å; Y237-L241 HydrophobicContact CG-CD2 4.12Å; Y237-L241 HydrophobicContact CG-CG 4.43Å; M239-L241 HydrophobicContact CG-CD2 4.18Å; M239-L241 HydrophobicContact SD-CD2 4.4Å; L241-K245 HydrophobicContact CD2-CD 4.18Å
242	P	96.4	Very high	95.6	Very high	50 Å²	50	50 Å²	50	33%	0.325	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	147.1	175.1	27	-35.2	0	0	0	111.4	E240 T244 K245	E240-P242 WeakPolarHBondContact O-CD 3.4Å; P242-T244 PolarHBondContact O-N 2.9Å; P242-K245 HydrophobicContact CG-CD 4.04Å; P242-K245 HydrophobicContact CG-CG 4.12Å; P242-K245 PolarHBondContact O-N 2.68Å
243	I	96.1	Very high	95.5	Very high	13 Å²	13	52.5 Å²	52.5	7%	0.067	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-59.4	-20.4	-178.1	-157	70.5	0	0	0	113.5	F208 G213 Q214 I215 K245 R246 T328	F208-I243 HydrophobicContact CB-CD1 3.92Å; F208-I243 HydrophobicContact CG-CD1 4.43Å; G213-I243 VanDerWaalsContact C-CB 3.45Å; G213-I243 PolarHBondContact O-N 2.91Å; Q214-I243 WeakPolarHBondContact O-CD1 3.43Å; I215-I243 HydrophobicContact CG1-CD1 4.12Å; I243-K245 PolarHBondContact O-N 2.79Å; I243-R246 VanDerWaalsContact CG1-NH1 3.31Å; I243-R246 WeakPolarHBondContact O-CG 3.36Å; I243-R246 PolarHBondContact O-N 3.48Å; I243-R246 PolarHBondContact O-NH1 3.15Å; I243-T328 HydrophobicContact CG1-CG2 4.47Å; I243-T328 HydrophobicContact CG2-CG2 4.13Å
244	T	94.9	Very high	95.5	Very high	32 Å²	32	54.6 Å²	54.6	20%	0.196	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-68.4	-21.6	178.4	49.5	0	0	0	0	113	P242 R246 G297 R299 E326	P242-T244 PolarHBondContact O-N 2.9Å; T244-R246 VanDerWaalsContact C-N 3.3Å; T244-R246 PolarHBondContact O-N 3.02Å; T244-G297 WeakPolarHBondContact CG2-O 3.33Å; T244-R299 PolarHBondContact O-NH1 3.31Å; T244-R299 VanDerWaalsContact O-NH1 3.15Å; T244-E326 HydrophobicContact CG2-CG 4.43Å
245	K	93.7	Very high	95.6	Very high	113 Å²	113	52 Å²	52	49%	0.491	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-75.5	-11.5	176	-71.5	179.1	-179	-81.1	0	114.2	I215 L241 P242 I243	I215-K245 HydrophobicContact CD1-CB 4.2Å; L241-K245 HydrophobicContact CD2-CD 4.18Å; P242-K245 HydrophobicContact CG-CD 4.04Å; P242-K245 HydrophobicContact CG-CG 4.12Å; P242-K245 PolarHBondContact O-N 2.68Å; I243-K245 PolarHBondContact O-N 2.79Å
246	R	94.4	Very high	95.6	Very high	10 Å²	10	47.4 Å²	47.4	4%	0.038	23%	0.228	C	C	.	.	S	Bend	trans	-67.4	153.9	178.8	77.2	-177.5	-173.6	-77.7	-1.3	110.9	F208 I215 I243 T244 E252 R299	F208-R246 HydrophobicContact CD1-CB 4.38Å; F208-R246 HydrophobicContact CD2-CB 4.27Å; F208-R246 HydrophobicContact CE1-CB 3.92Å; F208-R246 HydrophobicContact CE2-CB 3.79Å; F208-R246 HydrophobicContact CE2-CG 4.32Å; F208-R246 HydrophobicContact CZ-CB 3.61Å; I215-R246 HydrophobicContact CD1-CB 3.77Å; I215-R246 HydrophobicContact CG1-CB 4.43Å; I243-R246 VanDerWaalsContact CG1-NH1 3.31Å; I243-R246 WeakPolarHBondContact O-CG 3.36Å; I243-R246 PolarHBondContact O-N 3.48Å; I243-R246 PolarHBondContact O-NH1 3.15Å; T244-R246 VanDerWaalsContact C-N 3.3Å; T244-R246 PolarHBondContact O-N 3.02Å; R246-E252 IonicContact CZ-OE2 2.69Å; R246-E252 IonicContact NE-OE2 2.76Å; R246-E252 PolarHBondContact NE-OE2 2.83Å; R246-E252 VanDerWaalsContact NH2-CD 3.3Å; R246-E252 IonicContact NH2-OE1 3.9Å; R246-E252 PolarHBondContact NH2-OE1 3.05Å; R246-E252 IonicContact NH2-OE2 3.63Å; R246-E252 PolarHBondContact NH2-OE2 2.84Å; R246-R299 PolarHBondContact O-NH1 3.19Å
247	L	92.7	Very high	95.7	Very high	21 Å²	21	47.5 Å²	47.5	11%	0.11	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-69.2	164.9	166.3	63.8	148.5	0	0	0	111.5	F176 F208 T249 R299 S460	F176-L247 HydrophobicContact CD1-CD2 4.28Å; F176-L247 HydrophobicContact CD2-CD2 4.3Å; F176-L247 HydrophobicContact CE1-CD2 3.46Å; F176-L247 VanDerWaalsContact CE1-CD2 3.46Å; F176-L247 HydrophobicContact CE2-CD1 3.69Å; F176-L247 HydrophobicContact CE2-CD2 3.47Å; F176-L247 VanDerWaalsContact CE2-CD2 3.47Å; F176-L247 HydrophobicContact CE2-CG 3.8Å; F176-L247 HydrophobicContact CZ-CD1 3.55Å; F176-L247 HydrophobicContact CZ-CD2 3.02Å; F176-L247 HydrophobicContact CZ-CG 3.73Å; F208-L247 HydrophobicContact CZ-CD2 4.14Å; L247-T249 PolarHBondContact O-N 2.95Å; L247-R299 PolarHBondContact O-NH2 3.13Å; L247-S460 WeakPolarHBondContact CB-O 3.24Å
248	V	94.6	Very high	95.8	Very high	3 Å²	3	48.8 Å²	48.8	2%	0.018	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-73.3	124.8	171.8	177.9	0	0	0	0	108.1	E252 Y253	V248-E252 HydrophobicContact CG1-CB 3.83Å; V248-E252 HydrophobicContact CG1-CG 3.92Å; V248-Y253 HydrophobicContact CB-CD2 4.44Å; V248-Y253 HydrophobicContact CB-CE1 4.2Å; V248-Y253 HydrophobicContact CB-CE2 3.89Å; V248-Y253 HydrophobicContact CG1-CD1 3.74Å; V248-Y253 HydrophobicContact CG1-CD2 3.65Å; V248-Y253 HydrophobicContact CG1-CE1 3.62Å; V248-Y253 HydrophobicContact CG1-CE2 3.57Å; V248-Y253 HydrophobicContact CG1-CG 3.72Å; V248-Y253 WeakPolarHBondContact O-CE2 3.43Å
249	T	95.8	Very high	95.9	Very high	5 Å²	5	42.7 Å²	42.7	3%	0.031	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-86.3	164.1	179.9	62.4	0	0	0	0	111.1	F174 F176 F208 L247 G251 E252 Y253 D490	F174-T249 HydrophobicContact CD1-CG2 4.12Å; F174-T249 HydrophobicContact CE1-CG2 4.06Å; F176-T249 HydrophobicContact CD2-CG2 4.37Å; F208-T249 HydrophobicContact CD2-CG2 4.2Å; F208-T249 HydrophobicContact CE2-CG2 3.85Å; L247-T249 PolarHBondContact O-N 2.95Å; T249-G251 PolarHBondContact O-N 2.86Å; T249-E252 WeakPolarHBondContact O-CB 3.39Å; T249-E252 PolarHBondContact O-N 2.94Å; T249-E252 WeakPolarHBondContact OG1-CB 3.42Å; T249-E252 PolarHBondContact OG1-N 2.82Å; T249-Y253 VanDerWaalsContact O-CD2 3.25Å; T249-Y253 WeakPolarHBondContact O-CD2 3.19Å; T249-Y253 PolarHBondContact O-N 2.92Å; T249-D490 VanDerWaalsContact CB-OD1 3.25Å; T249-D490 WeakPolarHBondContact CB-OD1 3.49Å
250	I	95.7	Very high	96.1	Very high	60 Å²	60	39 Å²	39	31%	0.308	19%	0.194	S	C	.	.	H	α-helix	trans	-53.6	-40.4	173	-75.3	164.7	0	0	0	111.9	Q166 T167 E252 Y253 A254 D490	Q166-I250 HydrophobicContact CG-CG2 4.33Å; Q166-I250 VanDerWaalsContact NE2-CD1 3.31Å; T167-I250 HydrophobicContact CG2-CG2 4.43Å; I250-E252 VanDerWaalsContact C-N 3.35Å; I250-Y253 PolarHBondContact O-N 2.86Å; I250-A254 WeakPolarHBondContact O-CB 3.41Å; I250-A254 PolarHBondContact O-N 3.32Å; I250-D490 WeakPolarHBondContact CG1-OD2 3.39Å; I250-D490 PolarHBondContact N-OD1 2.85Å; I250-D490 PolarHBondContact N-OD2 2.9Å
251	G	96.5	Very high	96.2	Very high	3 Å²	3	38.6 Å²	38.6	3%	0.031	19%	0.194	C	C	.	.	H	α-helix	trans	-65.1	-36.7	176.1	0	0	0	0	0	113.4	T249 A254 L255	T249-G251 PolarHBondContact O-N 2.86Å; G251-A254 PolarHBondContact O-N 3.11Å; G251-L255 WeakPolarHBondContact O-CG 3.42Å; G251-L255 PolarHBondContact O-N 2.92Å
252	E	97.2	Very high	96.2	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.005	21%	0.208	C	C	.	.	H	α-helix	trans	-71.3	-41.1	176.8	-166.1	172.7	158.1	0	0	112	P170 R246 V248 T249 I250 A254 L255 M256 R299 H325 W333	P170-E252 HydrophobicContact CG-CB 4.16Å; P170-E252 HydrophobicContact CG-CG 4Å; R246-E252 IonicContact CZ-OE2 2.69Å; R246-E252 IonicContact NE-OE2 2.76Å; R246-E252 PolarHBondContact NE-OE2 2.83Å; R246-E252 VanDerWaalsContact NH2-CD 3.3Å; R246-E252 IonicContact NH2-OE1 3.9Å; R246-E252 PolarHBondContact NH2-OE1 3.05Å; R246-E252 IonicContact NH2-OE2 3.63Å; R246-E252 PolarHBondContact NH2-OE2 2.84Å; V248-E252 HydrophobicContact CG1-CB 3.83Å; V248-E252 HydrophobicContact CG1-CG 3.92Å; T249-E252 WeakPolarHBondContact O-CB 3.39Å; T249-E252 PolarHBondContact O-N 2.94Å; T249-E252 WeakPolarHBondContact OG1-CB 3.42Å; T249-E252 PolarHBondContact OG1-N 2.82Å; I250-E252 VanDerWaalsContact C-N 3.35Å; E252-A254 VanDerWaalsContact C-N 3.34Å; E252-A254 PolarHBondContact O-N 3.25Å; E252-L255 PolarHBondContact O-N 3.27Å; E252-M256 WeakPolarHBondContact O-CB 3.47Å; E252-M256 PolarHBondContact O-N 2.84Å; E252-R299 IonicContact OE1-CZ 2.73Å; E252-R299 IonicContact OE1-NE 3.17Å; E252-R299 PolarHBondContact OE1-NE 3.3Å; E252-R299 IonicContact OE1-NH2 3.75Å; E252-R299 PolarHBondContact OE1-NH2 2.84Å; E252-R299 IonicContact OE2-CZ 3.89Å; E252-R299 IonicContact OE2-NE 3.6Å; E252-R299 IonicContact OE2-NH2 2.68Å; E252-R299 PolarHBondContact OE2-NH2 2.95Å; E252-H325 IonicContact OE1-CE1 2.66Å; E252-H325 PolarHBondContact OE1-CE1 3.1Å; E252-H325 IonicContact OE1-ND1 2.64Å; E252-H325 PolarHBondContact OE1-ND1 2.95Å; E252-W333 HydrophobicContact CG-CH2 3.86Å; E252-W333 HydrophobicContact CG-CZ2 4.16Å
253	Y	96.9	Very high	96.2	Very high	56 Å²	56	42.1 Å²	42.1	22%	0.22	21%	0.21	C	C	.	.	H	α-helix	trans	-59	-43.8	170.7	-76.2	-65	0	0	0	112.1	V248 T249 I250 L255 M256 F257 E288	V248-Y253 HydrophobicContact CB-CD2 4.44Å; V248-Y253 HydrophobicContact CB-CE1 4.2Å; V248-Y253 HydrophobicContact CB-CE2 3.89Å; V248-Y253 HydrophobicContact CG1-CD1 3.74Å; V248-Y253 HydrophobicContact CG1-CD2 3.65Å; V248-Y253 HydrophobicContact CG1-CE1 3.62Å; V248-Y253 HydrophobicContact CG1-CE2 3.57Å; V248-Y253 HydrophobicContact CG1-CG 3.72Å; V248-Y253 WeakPolarHBondContact O-CE2 3.43Å; T249-Y253 VanDerWaalsContact O-CD2 3.25Å; T249-Y253 WeakPolarHBondContact O-CD2 3.19Å; T249-Y253 PolarHBondContact O-N 2.92Å; I250-Y253 PolarHBondContact O-N 2.86Å; Y253-L255 VanDerWaalsContact C-N 3.29Å; Y253-L255 PolarHBondContact O-N 3.37Å; Y253-M256 HydrophobicContact CD1-CE 3.38Å; Y253-M256 HydrophobicContact CE1-CE 3.74Å; Y253-M256 PolarHBondContact O-N 2.89Å; Y253-M256 VanDerWaalsContact O-N 3.11Å; Y253-F257 HydrophobicContact CD1-CE1 4.41Å; Y253-F257 HydrophobicContact CD1-CZ 4.08Å; Y253-F257 WeakPolarHBondContact O-CD2 3.27Å; Y253-F257 VanDerWaalsContact O-CG 3.27Å; Y253-F257 WeakPolarHBondContact O-CG 3.47Å; Y253-F257 PolarHBondContact O-N 3.34Å; Y253-E288 HydrophobicContact CE1-CG 4.09Å; Y253-E288 WeakPolarHBondContact CE1-OE2 3.25Å; Y253-E288 PolarHBondContact OH-OE1 2.86Å; Y253-E288 PolarHBondContact OH-OE2 2.7Å
254	A	97.1	Very high	96.3	Very high	44 Å²	44	41.5 Å²	41.5	36%	0.364	21%	0.207	S	C	.	.	H	α-helix	trans	-59.9	-40.8	178.8	0	0	0	0	0	112	T167 I250 G251 E252 K258	T167-A254 HydrophobicContact CG2-CB 4.45Å; I250-A254 WeakPolarHBondContact O-CB 3.41Å; I250-A254 PolarHBondContact O-N 3.32Å; G251-A254 PolarHBondContact O-N 3.11Å; E252-A254 VanDerWaalsContact C-N 3.34Å; E252-A254 PolarHBondContact O-N 3.25Å; A254-K258 WeakPolarHBondContact O-CB 3.23Å; A254-K258 PolarHBondContact O-N 3.38Å; A254-K258 VanDerWaalsContact O-N 3.12Å
255	L	97.7	Very high	96.4	Very high	45 Å²	45	41.3 Å²	41.3	24%	0.236	20%	0.204	C	C	.	.	H	α-helix	trans	-68.7	-38.4	174.6	-69.3	168.8	0	0	0	111.9	P170 G251 E252 Y253 K258 F259 A330 W333	P170-L255 VanDerWaalsContact CD-CD1 3.44Å; P170-L255 HydrophobicContact CG-CD1 4.15Å; G251-L255 WeakPolarHBondContact O-CG 3.42Å; G251-L255 PolarHBondContact O-N 2.92Å; E252-L255 PolarHBondContact O-N 3.27Å; Y253-L255 VanDerWaalsContact C-N 3.29Å; Y253-L255 PolarHBondContact O-N 3.37Å; L255-K258 PolarHBondContact O-N 3.25Å; L255-F259 WeakPolarHBondContact O-CB 3.42Å; L255-F259 PolarHBondContact O-N 3.48Å; L255-A330 HydrophobicContact CD1-CB 3.97Å; L255-A330 HydrophobicContact CD2-CB 4.43Å; L255-W333 HydrophobicContact CB-CH2 3.65Å; L255-W333 HydrophobicContact CB-CZ3 3.6Å; L255-W333 HydrophobicContact CD1-CH2 4.35Å
256	M	97.8	Very high	96.6	Very high	5 Å²	5	38.4 Å²	38.4	3%	0.025	20%	0.198	C	C	.	.	H	α-helix	trans	-65.5	-44.6	179.3	171.6	166.2	69.1	0	0	111.3	E252 Y253 F259 F260 V303 L323 W333	E252-M256 WeakPolarHBondContact O-CB 3.47Å; E252-M256 PolarHBondContact O-N 2.84Å; Y253-M256 HydrophobicContact CD1-CE 3.38Å; Y253-M256 HydrophobicContact CE1-CE 3.74Å; Y253-M256 PolarHBondContact O-N 2.89Å; Y253-M256 VanDerWaalsContact O-N 3.11Å; M256-F259 WeakPolarHBondContact O-CB 3.27Å; M256-F259 PolarHBondContact O-N 3.29Å; M256-F260 HydrophobicContact CG-CD2 3.96Å; M256-F260 HydrophobicContact CG-CE2 3.27Å; M256-F260 HydrophobicContact CG-CZ 3.65Å; M256-F260 VanDerWaalsContact O-CD2 3.32Å; M256-F260 WeakPolarHBondContact O-CD2 3.18Å; M256-F260 WeakPolarHBondContact O-CG 3.38Å; M256-F260 PolarHBondContact O-N 2.82Å; M256-F260 HydrophobicContact SD-CE2 3.82Å; M256-F260 HydrophobicContact SD-CZ 3.95Å; M256-V303 HydrophobicContact CE-CG2 4.45Å; M256-V303 HydrophobicContact SD-CG2 3.84Å; M256-L323 HydrophobicContact CB-CD2 4.11Å; M256-L323 HydrophobicContact CG-CD2 3.49Å; M256-L323 VanDerWaalsContact CG-CD2 3.49Å; M256-L323 HydrophobicContact SD-CD2 3.63Å; M256-W333 HydrophobicContact CB-CZ3 4.16Å
257	F	96.4	Very high	96.7	Very high	90 Å²	90	41.2 Å²	41.2	40%	0.395	21%	0.21	S	C	.	.	H	α-helix	trans	-65.3	-42	176.8	-59.5	-24	0	0	0	111.6	Y253 F259 F260 D261 A286	Y253-F257 HydrophobicContact CD1-CE1 4.41Å; Y253-F257 HydrophobicContact CD1-CZ 4.08Å; Y253-F257 WeakPolarHBondContact O-CD2 3.27Å; Y253-F257 VanDerWaalsContact O-CG 3.27Å; Y253-F257 WeakPolarHBondContact O-CG 3.47Å; Y253-F257 PolarHBondContact O-N 3.34Å; F257-F259 VanDerWaalsContact C-N 3.3Å; F257-F259 PolarHBondContact O-N 3.34Å; F257-F260 HydrophobicContact CD1-CD2 4.41Å; F257-F260 PolarHBondContact O-N 3.2Å; F257-D261 PolarHBondContact O-N 3.23Å; F257-A286 HydrophobicContact CD1-CB 4.12Å; F257-A286 HydrophobicContact CE1-CB 3.6Å; F257-A286 HydrophobicContact CZ-CB 4.43Å
258	K	97.1	Very high	96.9	Very high	137 Å²	137	40.4 Å²	40.4	60%	0.596	21%	0.206	S	C	*	.	H	α-helix	trans	-58.3	-43.6	172.2	-176.4	179.6	178.4	-177.6	0	111.5	A254 L255 D261 T262	A254-K258 WeakPolarHBondContact O-CB 3.23Å; A254-K258 PolarHBondContact O-N 3.38Å; A254-K258 VanDerWaalsContact O-N 3.12Å; L255-K258 PolarHBondContact O-N 3.25Å; K258-D261 PolarHBondContact O-N 2.86Å; K258-T262 HydrophobicContact CG-CG2 4.39Å; K258-T262 WeakPolarHBondContact O-CG2 3.45Å; K258-T262 PolarHBondContact O-N 3.5Å; K258-T262 PolarHBondContact O-OG1 3.49Å; K258-T262 VanDerWaalsContact O-OG1 3.08Å
259	F	98.2	Very high	97	Very high	25 Å²	25	47.3 Å²	47.3	11%	0.11	24%	0.236	C	C	.	.	H	α-helix	trans	-60.6	-44.1	177.1	178.9	-84.2	0	0	0	111.6	L255 M256 F257 T262 E263 V264 L323 W333 V335	L255-F259 WeakPolarHBondContact O-CB 3.42Å; L255-F259 PolarHBondContact O-N 3.48Å; M256-F259 WeakPolarHBondContact O-CB 3.27Å; M256-F259 PolarHBondContact O-N 3.29Å; F257-F259 VanDerWaalsContact C-N 3.3Å; F257-F259 PolarHBondContact O-N 3.34Å; F259-T262 PolarHBondContact O-N 3.42Å; F259-E263 HydrophobicContact CD1-CB 4.38Å; F259-E263 HydrophobicContact CD2-CB 4.36Å; F259-E263 HydrophobicContact CD2-CG 3.84Å; F259-E263 HydrophobicContact CE1-CB 4.04Å; F259-E263 HydrophobicContact CE2-CB 4.04Å; F259-E263 HydrophobicContact CE2-CG 3.63Å; F259-E263 HydrophobicContact CG-CG 4.37Å; F259-E263 HydrophobicContact CZ-CB 3.86Å; F259-E263 HydrophobicContact CZ-CG 3.97Å; F259-E263 VanDerWaalsContact O-CB 3.32Å; F259-E263 WeakPolarHBondContact O-CB 3.44Å; F259-E263 PolarHBondContact O-N 2.88Å; F259-V264 HydrophobicContact CE1-CG2 4.45Å; F259-L323 HydrophobicContact CD1-CD1 3.62Å; F259-L323 HydrophobicContact CE1-CD1 3.46Å; F259-L323 VanDerWaalsContact CE1-CD1 3.46Å; F259-L323 HydrophobicContact CG-CD1 4.27Å; F259-L323 HydrophobicContact CZ-CD1 3.98Å; F259-W333 HydrophobicContact CD2-CB 4.12Å; F259-W333 HydrophobicContact CE2-CB 4.04Å; F259-W333 WeakPolarHBondContact CE2-O 3.32Å; F259-V335 HydrophobicContact CE1-CG2 3.78Å; F259-V335 HydrophobicContact CZ-CG2 4.15Å
260	F	97.9	Very high	97	Very high	3 Å²	3	51.4 Å²	51.4	1%	0.013	25%	0.253	C	S	.	.	I	π-helix	trans	-63.2	-43	176	-64.3	-40.7	0	0	0	112.3	M256 F257 T262 V264 F265 V303 F305 V321 L323	M256-F260 HydrophobicContact CG-CD2 3.96Å; M256-F260 HydrophobicContact CG-CE2 3.27Å; M256-F260 HydrophobicContact CG-CZ 3.65Å; M256-F260 VanDerWaalsContact O-CD2 3.32Å; M256-F260 WeakPolarHBondContact O-CD2 3.18Å; M256-F260 WeakPolarHBondContact O-CG 3.38Å; M256-F260 PolarHBondContact O-N 2.82Å; M256-F260 HydrophobicContact SD-CE2 3.82Å; M256-F260 HydrophobicContact SD-CZ 3.95Å; F257-F260 HydrophobicContact CD1-CD2 4.41Å; F257-F260 PolarHBondContact O-N 3.2Å; F260-T262 PolarHBondContact O-N 3.22Å; F260-V264 HydrophobicContact CD1-CG2 4.11Å; F260-V264 CarbonylContact O-C 3.57Å; F260-V264 WeakPolarHBondContact O-CA 3.18Å; F260-V264 WeakPolarHBondContact O-CB 3.2Å; F260-V264 PolarHBondContact O-N 3.36Å; F260-V264 VanDerWaalsContact O-N 3.11Å; F260-F265 HydrophobicContact CB-CD2 4.4Å; F260-F265 HydrophobicContact CB-CE2 4.13Å; F260-F265 HydrophobicContact CB-CZ 4.42Å; F260-F265 PolarHBondContact O-N 3.15Å; F260-V303 HydrophobicContact CE2-CB 4.09Å; F260-V303 HydrophobicContact CE2-CG1 3.87Å; F260-V303 HydrophobicContact CE2-CG2 3.96Å; F260-V303 HydrophobicContact CZ-CB 3.87Å; F260-V303 HydrophobicContact CZ-CG1 4.19Å; F260-V303 HydrophobicContact CZ-CG2 3.68Å; F260-F305 HydrophobicContact CD1-CZ 4.31Å; F260-F305 HydrophobicContact CD2-CE1 4.13Å; F260-F305 AromaticContact CD2-CZ 3.87Å; F260-F305 HydrophobicContact CD2-CZ 3.87Å; F260-F305 HydrophobicContact CE1-CZ 4.47Å; F260-F305 HydrophobicContact CE2-CE1 4.5Å; F260-F305 HydrophobicContact CE2-CZ 4.03Å; F260-F305 HydrophobicContact CG-CZ 4.03Å; F260-F305 HydrophobicContact CZ-CZ 4.34Å; F260-V321 HydrophobicContact CD1-CG1 4.38Å; F260-V321 HydrophobicContact CE1-CB 4.12Å; F260-V321 HydrophobicContact CE1-CG1 3.77Å; F260-L323 HydrophobicContact CE1-CB 4.18Å; F260-L323 HydrophobicContact CE1-CD2 4.27Å; F260-L323 HydrophobicContact CZ-CB 4.19Å; F260-L323 HydrophobicContact CZ-CD2 4.02Å
261	D	95.9	Very high	97.1	Very high	75 Å²	75	48.7 Å²	48.7	40%	0.401	24%	0.239	S	C	.	.	I	π-helix	trans	-59.5	-47.5	176.6	-76	-20.8	0	0	0	111.7	F257 K258 F265 S266	F257-D261 PolarHBondContact O-N 3.23Å; K258-D261 PolarHBondContact O-N 2.86Å; D261-F265 WeakPolarHBondContact OD1-CD2 3.32Å; D261-S266 WeakPolarHBondContact O-CB 3.49Å; D261-S266 PolarHBondContact O-N 3.33Å
262	T	96.4	Very high	97.1	Very high	65 Å²	65	48.9 Å²	48.9	40%	0.399	24%	0.24	S	C	.	.	I	π-helix	trans	-82.1	-43.3	-173.3	60.3	0	0	0	0	113.6	K258 F259 F260 S266	K258-T262 HydrophobicContact CG-CG2 4.39Å; K258-T262 WeakPolarHBondContact O-CG2 3.45Å; K258-T262 PolarHBondContact O-N 3.5Å; K258-T262 PolarHBondContact O-OG1 3.49Å; K258-T262 VanDerWaalsContact O-OG1 3.08Å; F259-T262 PolarHBondContact O-N 3.42Å; F260-T262 PolarHBondContact O-N 3.22Å; T262-S266 WeakPolarHBondContact O-CB 3.33Å; T262-S266 PolarHBondContact O-OG 3.06Å
263	E	97.6	Very high	97.1	Very high	79 Å²	79	55.6 Å²	55.6	37%	0.369	27%	0.269	S	S	.	.	I	π-helix	trans	-97.2	-20.8	-170.6	-62.8	-53.2	138.8	0	0	114.2	F259 K267	F259-E263 HydrophobicContact CD1-CB 4.38Å; F259-E263 HydrophobicContact CD2-CB 4.36Å; F259-E263 HydrophobicContact CD2-CG 3.84Å; F259-E263 HydrophobicContact CE1-CB 4.04Å; F259-E263 HydrophobicContact CE2-CB 4.04Å; F259-E263 HydrophobicContact CE2-CG 3.63Å; F259-E263 HydrophobicContact CG-CG 4.37Å; F259-E263 HydrophobicContact CZ-CB 3.86Å; F259-E263 HydrophobicContact CZ-CG 3.97Å; F259-E263 VanDerWaalsContact O-CB 3.32Å; F259-E263 WeakPolarHBondContact O-CB 3.44Å; F259-E263 PolarHBondContact O-N 2.88Å; E263-K267 WeakPolarHBondContact O-CD 3.48Å; E263-K267 WeakPolarHBondContact O-CE 3.02Å; E263-K267 PolarHBondContact O-NZ 3.5Å; E263-K267 IonicContact OE2-NZ 3.08Å; E263-K267 PolarHBondContact OE2-NZ 3.44Å
264	V	98.1	Very high	97	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	28%	0.276	C	S	.	.	I	π-helix	trans	-114.6	-62.9	-176	-174.3	0	0	0	0	111.1	F259 F260 S266 K267 L268 F319 V321 V335 L338 V348	F259-V264 HydrophobicContact CE1-CG2 4.45Å; F260-V264 HydrophobicContact CD1-CG2 4.11Å; F260-V264 CarbonylContact O-C 3.57Å; F260-V264 WeakPolarHBondContact O-CA 3.18Å; F260-V264 WeakPolarHBondContact O-CB 3.2Å; F260-V264 PolarHBondContact O-N 3.36Å; F260-V264 VanDerWaalsContact O-N 3.11Å; V264-S266 PolarHBondContact O-N 3.33Å; V264-K267 PolarHBondContact O-N 3.47Å; V264-L268 HydrophobicContact CG1-CD1 3.98Å; V264-L268 WeakPolarHBondContact O-CG 3.49Å; V264-L268 PolarHBondContact O-N 2.89Å; V264-F319 HydrophobicContact CG1-CE1 4.19Å; V264-F319 HydrophobicContact CG1-CZ 3.94Å; V264-V321 HydrophobicContact CG1-CG2 4.22Å; V264-V335 HydrophobicContact CG2-CG2 3.79Å; V264-L338 HydrophobicContact CG1-CD2 4.47Å; V264-V348 HydrophobicContact CG1-CG2 4.44Å; V264-V348 HydrophobicContact CG2-CG2 4.19Å
265	F	97.3	Very high	97	Very high	27 Å²	27	54.5 Å²	54.5	12%	0.118	26%	0.258	C	S	.	.	I	π-helix	trans	-70	-37.4	-171.3	-63.9	-23.3	0	0	0	113.1	F260 D261 K267 L268 K269 L272 F305 F319	F260-F265 HydrophobicContact CB-CD2 4.4Å; F260-F265 HydrophobicContact CB-CE2 4.13Å; F260-F265 HydrophobicContact CB-CZ 4.42Å; F260-F265 PolarHBondContact O-N 3.15Å; D261-F265 WeakPolarHBondContact OD1-CD2 3.32Å; F265-K267 PolarHBondContact O-N 3.35Å; F265-L268 PolarHBondContact O-N 2.89Å; F265-L268 VanDerWaalsContact O-N 3.17Å; F265-K269 PolarHBondContact O-N 3.24Å; F265-L272 HydrophobicContact CB-CD1 3.56Å; F265-L272 HydrophobicContact CD1-CD1 3.72Å; F265-L272 HydrophobicContact CD1-CD2 4.03Å; F265-L272 HydrophobicContact CD1-CG 4.45Å; F265-L272 HydrophobicContact CE1-CD2 4.21Å; F265-L272 HydrophobicContact CG-CD1 3.81Å; F265-F305 HydrophobicContact CE1-CE1 4.23Å; F265-F305 HydrophobicContact CE1-CZ 4.31Å; F265-F305 HydrophobicContact CE2-CE1 4.25Å; F265-F305 AromaticContact CZ-CD1 3.74Å; F265-F305 HydrophobicContact CZ-CD1 3.74Å; F265-F305 AromaticContact CZ-CE1 3.43Å; F265-F305 HydrophobicContact CZ-CE1 3.43Å; F265-F305 VanDerWaalsContact CZ-CE1 3.43Å; F265-F305 HydrophobicContact CZ-CG 4.43Å; F265-F305 AromaticContact CZ-CZ 3.89Å; F265-F305 HydrophobicContact CZ-CZ 3.89Å; F265-F319 HydrophobicContact CE1-CD1 4.46Å; F265-F319 AromaticContact CE1-CE1 3.94Å; F265-F319 HydrophobicContact CE1-CE1 3.94Å
266	S	96.4	Very high	96.9	Very high	53 Å²	53	52.6 Å²	52.6	37%	0.371	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-32.7	176.1	80.2	0	0	0	0	113	D261 T262 V264 K269	D261-S266 WeakPolarHBondContact O-CB 3.49Å; D261-S266 PolarHBondContact O-N 3.33Å; T262-S266 WeakPolarHBondContact O-CB 3.33Å; T262-S266 PolarHBondContact O-OG 3.06Å; V264-S266 PolarHBondContact O-N 3.33Å; S266-K269 WeakPolarHBondContact O-CE 3.34Å; S266-K269 WeakPolarHBondContact O-CG 3.47Å
267	K	97.6	Very high	96.7	Very high	68 Å²	68	52.8 Å²	52.8	30%	0.296	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-24.2	-178.9	-58.2	-178.9	-172	167.1	0	112.8	E263 V264 F265 V348 E349 K352	E263-K267 WeakPolarHBondContact O-CD 3.48Å; E263-K267 WeakPolarHBondContact O-CE 3.02Å; E263-K267 PolarHBondContact O-NZ 3.5Å; E263-K267 IonicContact OE2-NZ 3.08Å; E263-K267 PolarHBondContact OE2-NZ 3.44Å; V264-K267 PolarHBondContact O-N 3.47Å; F265-K267 PolarHBondContact O-N 3.35Å; K267-V348 HydrophobicContact CB-CG1 3.79Å; K267-V348 HydrophobicContact CD-CB 4.46Å; K267-V348 HydrophobicContact CD-CG1 3.99Å; K267-V348 HydrophobicContact CG-CG1 4.48Å; K267-E349 WeakPolarHBondContact CD-OE1 3.01Å; K267-E349 IonicContact NZ-OE1 3.6Å; K267-E349 PolarHBondContact NZ-OE1 3.05Å; K267-K352 WeakPolarHBondContact O-CD 3.32Å; K267-K352 WeakPolarHBondContact O-CE 3.48Å
268	L	97.3	Very high	96.5	Very high	4 Å²	4	49.6 Å²	49.6	2%	0.021	24%	0.239	C	C	.	.			trans	-105.4	17.6	-176.4	-65.7	178.8	0	0	0	114.4	V264 F265 K270 L271 L272 F319 V348 L351 K352	V264-L268 HydrophobicContact CG1-CD1 3.98Å; V264-L268 WeakPolarHBondContact O-CG 3.49Å; V264-L268 PolarHBondContact O-N 2.89Å; F265-L268 PolarHBondContact O-N 2.89Å; F265-L268 VanDerWaalsContact O-N 3.17Å; L268-K270 PolarHBondContact O-N 2.98Å; L268-L271 HydrophobicContact CB-CB 4.45Å; L268-L271 HydrophobicContact CD2-CD1 4.45Å; L268-L271 WeakPolarHBondContact O-CB 3.34Å; L268-L271 PolarHBondContact O-N 3.47Å; L268-L272 HydrophobicContact CB-CG 4.37Å; L268-L272 WeakPolarHBondContact O-CG 3.28Å; L268-L272 PolarHBondContact O-N 3.2Å; L268-F319 HydrophobicContact CD1-CE2 4.29Å; L268-F319 HydrophobicContact CD1-CZ 3.85Å; L268-V348 HydrophobicContact CD1-CG1 4Å; L268-V348 HydrophobicContact CD2-CG1 4.15Å; L268-V348 HydrophobicContact CG-CG1 3.76Å; L268-L351 HydrophobicContact CD1-CD2 3.86Å; L268-L351 HydrophobicContact CD2-CD2 4.35Å; L268-L351 HydrophobicContact CD2-CG 4.2Å; L268-K352 HydrophobicContact CD2-CB 3.78Å; L268-K352 HydrophobicContact CD2-CG 4.3Å
269	K	96.3	Very high	96	Very high	148 Å²	148	46.7 Å²	46.7	64%	0.643	23%	0.23	S	C	*	.	H	α-helix	trans	-45.6	-43.7	-177.4	-69.8	177.9	-177	-178.5	0	114.6	F265 S266 K273	F265-K269 PolarHBondContact O-N 3.24Å; S266-K269 WeakPolarHBondContact O-CE 3.34Å; S266-K269 WeakPolarHBondContact O-CG 3.47Å; K269-K273 WeakPolarHBondContact O-CB 3.22Å; K269-K273 PolarHBondContact O-N 3.29Å
270	K	96.1	Very high	95	Very high	91 Å²	91	49.1 Å²	49.1	40%	0.396	26%	0.262	S	S	.	.	H	α-helix	trans	-65	-46.8	179.3	-174.9	178.2	167.9	-165.9	0	112	L268 K273 E274 D356	L268-K270 PolarHBondContact O-N 2.98Å; K270-K273 PolarHBondContact O-N 2.85Å; K270-E274 WeakPolarHBondContact CE-OE1 3.39Å; K270-E274 HydrophobicContact CG-CG 4.39Å; K270-E274 WeakPolarHBondContact CG-OE1 3.48Å; K270-E274 WeakPolarHBondContact O-CB 3.49Å; K270-E274 WeakPolarHBondContact O-CG 3.48Å; K270-E274 PolarHBondContact O-N 2.94Å; K270-D356 VanDerWaalsContact CD-OD1 3.32Å; K270-D356 WeakPolarHBondContact CD-OD1 3.26Å; K270-D356 IonicContact NZ-OD1 3.23Å; K270-D356 PolarHBondContact NZ-OD1 3.24Å
271	L	97.4	Very high	94.3	Very high	3 Å²	3	57.4 Å²	57.4	2%	0.016	30%	0.301	C	S	.	.	H	α-helix	trans	-60.6	-48.9	175.9	178.8	162.4	0	0	0	110.8	L268 K273 E274 S275 F276 Y340 L351 Y355	L268-L271 HydrophobicContact CB-CB 4.45Å; L268-L271 HydrophobicContact CD2-CD1 4.45Å; L268-L271 WeakPolarHBondContact O-CB 3.34Å; L268-L271 PolarHBondContact O-N 3.47Å; L271-K273 VanDerWaalsContact C-N 3.3Å; L271-K273 PolarHBondContact O-N 2.95Å; L271-E274 PolarHBondContact O-N 3.19Å; L271-S275 VanDerWaalsContact O-CB 3.22Å; L271-S275 WeakPolarHBondContact O-CB 3.4Å; L271-S275 PolarHBondContact O-N 3.29Å; L271-S275 PolarHBondContact O-OG 3.32Å; L271-F276 HydrophobicContact CD2-CD2 4.2Å; L271-F276 HydrophobicContact CD2-CE2 3.5Å; L271-F276 VanDerWaalsContact CD2-CE2 3.5Å; L271-F276 HydrophobicContact CD2-CZ 4.01Å; L271-Y340 HydrophobicContact CD1-CD2 4.1Å; L271-Y340 HydrophobicContact CD1-CE2 4.14Å; L271-Y340 HydrophobicContact CD1-CG 4.44Å; L271-Y340 HydrophobicContact CD2-CD2 4.16Å; L271-Y340 HydrophobicContact CD2-CE2 3.92Å; L271-Y340 HydrophobicContact CG-CD2 4.48Å; L271-Y340 HydrophobicContact CG-CE2 4.1Å; L271-L351 HydrophobicContact CD1-CD1 3.93Å; L271-L351 HydrophobicContact CD1-CD2 3.96Å; L271-L351 HydrophobicContact CD1-CG 3.92Å; L271-Y355 HydrophobicContact CB-CD1 4.09Å; L271-Y355 HydrophobicContact CB-CD2 4.07Å; L271-Y355 HydrophobicContact CB-CE1 4Å; L271-Y355 HydrophobicContact CB-CE2 3.96Å; L271-Y355 HydrophobicContact CB-CG 4.14Å; L271-Y355 HydrophobicContact CD1-CD2 3.5Å; L271-Y355 HydrophobicContact CD1-CE2 3.9Å; L271-Y355 HydrophobicContact CD1-CG 4Å; L271-Y355 HydrophobicContact CG-CD2 3.71Å; L271-Y355 HydrophobicContact CG-CE2 3.57Å; L271-Y355 HydrophobicContact CG-CG 4.26Å
272	L	96.8	Very high	93.9	Very high	8 Å²	8	58.3 Å²	58.3	4%	0.042	30%	0.301	C	S	.	.	I	π-helix	trans	-57.4	-43.2	180	-69.3	178.4	0	0	0	112	F265 L268 F276 G277 V278 L284	F265-L272 HydrophobicContact CB-CD1 3.56Å; F265-L272 HydrophobicContact CD1-CD1 3.72Å; F265-L272 HydrophobicContact CD1-CD2 4.03Å; F265-L272 HydrophobicContact CD1-CG 4.45Å; F265-L272 HydrophobicContact CE1-CD2 4.21Å; F265-L272 HydrophobicContact CG-CD1 3.81Å; L268-L272 HydrophobicContact CB-CG 4.37Å; L268-L272 WeakPolarHBondContact O-CG 3.28Å; L268-L272 PolarHBondContact O-N 3.2Å; L272-F276 HydrophobicContact CD2-CD2 3.76Å; L272-F276 HydrophobicContact CD2-CE2 4.09Å; L272-F276 CarbonylContact O-C 2.94Å; L272-F276 WeakPolarHBondContact O-CA 3.19Å; L272-F276 WeakPolarHBondContact O-CB 3.24Å; L272-F276 PolarHBondContact O-N 2.99Å; L272-G277 PolarHBondContact O-N 2.87Å; L272-G277 VanDerWaalsContact O-N 3.15Å; L272-V278 HydrophobicContact CB-CB 3.98Å; L272-V278 HydrophobicContact CB-CG1 4.04Å; L272-V278 HydrophobicContact CD1-CG1 4.35Å; L272-V278 PolarHBondContact O-N 2.73Å; L272-V278 VanDerWaalsContact O-N 3.15Å; L272-L284 HydrophobicContact CD2-CD1 4.16Å
273	K	96.1	Very high	93.7	Very high	142 Å²	142	62.9 Å²	62.9	62%	0.617	31%	0.311	S	S	*	.	I	π-helix	trans	-68.4	-53.8	177.2	-174.6	175.6	-179.8	176.8	0	112.5	K269 K270 L271 G277 V278	K269-K273 WeakPolarHBondContact O-CB 3.22Å; K269-K273 PolarHBondContact O-N 3.29Å; K270-K273 PolarHBondContact O-N 2.85Å; L271-K273 VanDerWaalsContact C-N 3.3Å; L271-K273 PolarHBondContact O-N 2.95Å; K273-G277 WeakPolarHBondContact O-CA 3.34Å; K273-G277 PolarHBondContact O-N 2.9Å; K273-G277 VanDerWaalsContact O-N 3.09Å; K273-V278 VanDerWaalsContact CA-O 3.3Å; K273-V278 WeakPolarHBondContact CA-O 3.33Å
274	E	96.2	Very high	93.7	Very high	77 Å²	77	60 Å²	60	36%	0.36	30%	0.298	S	S	.	.	I	π-helix	trans	-66.1	-38.5	-175.5	-76.8	177.6	-161.5	0	0	112.5	K270 L271 Y355 K362 Y365	K270-E274 WeakPolarHBondContact CE-OE1 3.39Å; K270-E274 HydrophobicContact CG-CG 4.39Å; K270-E274 WeakPolarHBondContact CG-OE1 3.48Å; K270-E274 WeakPolarHBondContact O-CB 3.49Å; K270-E274 WeakPolarHBondContact O-CG 3.48Å; K270-E274 PolarHBondContact O-N 2.94Å; L271-E274 PolarHBondContact O-N 3.19Å; E274-Y355 WeakPolarHBondContact CB-OH 3.22Å; E274-Y355 VanDerWaalsContact OE2-CE1 3.29Å; E274-Y355 WeakPolarHBondContact OE2-CE1 3.34Å; E274-Y355 PolarHBondContact OE2-OH 3.05Å; E274-K362 IonicContact OE2-NZ 3.06Å; E274-K362 PolarHBondContact OE2-NZ 3.33Å; E274-Y365 WeakPolarHBondContact O-CB 3.45Å; E274-Y365 PolarHBondContact O-N 2.8Å
275	S	96.3	Very high	93.6	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	31%	0.31	C	S	.	.	I	π-helix	trans	-97.1	-33	-171.6	-62.1	0	0	0	0	114	L271 Y340 Y355 T363 Y365	L271-S275 VanDerWaalsContact O-CB 3.22Å; L271-S275 WeakPolarHBondContact O-CB 3.4Å; L271-S275 PolarHBondContact O-N 3.29Å; L271-S275 PolarHBondContact O-OG 3.32Å; S275-Y340 PolarHBondContact OG-OH 3.11Å; S275-Y355 PolarHBondContact OG-OH 2.82Å; S275-T363 WeakPolarHBondContact CA-O 3.32Å; S275-T363 WeakPolarHBondContact CB-O 3.45Å; S275-T363 PolarHBondContact OG-O 2.91Å; S275-Y365 PolarHBondContact O-N 3.38Å
276	F	95.5	Very high	93.5	Very high	4 Å²	4	62.1 Å²	62.1	2%	0.018	31%	0.314	C	S	.	.	I	π-helix	trans	-119.3	-7.1	-173.7	-47	-41.7	0	0	0	113.6	L271 L272 V278 L284 R307 V317 F319 Y340	L271-F276 HydrophobicContact CD2-CD2 4.2Å; L271-F276 HydrophobicContact CD2-CE2 3.5Å; L271-F276 VanDerWaalsContact CD2-CE2 3.5Å; L271-F276 HydrophobicContact CD2-CZ 4.01Å; L272-F276 HydrophobicContact CD2-CD2 3.76Å; L272-F276 HydrophobicContact CD2-CE2 4.09Å; L272-F276 CarbonylContact O-C 2.94Å; L272-F276 WeakPolarHBondContact O-CA 3.19Å; L272-F276 WeakPolarHBondContact O-CB 3.24Å; L272-F276 PolarHBondContact O-N 2.99Å; F276-V278 HydrophobicContact CB-CG2 3.81Å; F276-V278 PolarHBondContact O-N 3.35Å; F276-L284 HydrophobicContact CB-CD2 4.22Å; F276-L284 HydrophobicContact CD2-CD1 3.86Å; F276-L284 HydrophobicContact CE2-CD1 4.44Å; F276-L284 HydrophobicContact CG-CD1 4.43Å; F276-R307 PolarHBondContact O-NH1 3.31Å; F276-V317 HydrophobicContact CD1-CB 3.55Å; F276-V317 HydrophobicContact CD1-CG1 4.14Å; F276-V317 HydrophobicContact CD1-CG2 3.98Å; F276-V317 HydrophobicContact CD2-CG2 4.26Å; F276-V317 HydrophobicContact CE1-CB 3.7Å; F276-V317 HydrophobicContact CE1-CG2 3.92Å; F276-V317 WeakPolarHBondContact CE1-O 3.49Å; F276-V317 HydrophobicContact CE2-CG2 4.18Å; F276-V317 HydrophobicContact CG-CB 4.09Å; F276-V317 HydrophobicContact CG-CG1 4.4Å; F276-V317 HydrophobicContact CG-CG2 4.17Å; F276-V317 HydrophobicContact CZ-CB 4.3Å; F276-V317 HydrophobicContact CZ-CG2 4.01Å; F276-F319 HydrophobicContact CE2-CB 3.86Å; F276-F319 HydrophobicContact CE2-CG 4.17Å; F276-F319 HydrophobicContact CZ-CB 3.7Å; F276-F319 HydrophobicContact CZ-CG 4.38Å; F276-Y340 HydrophobicContact CE1-CE2 4.1Å; F276-Y340 HydrophobicContact CE2-CE2 4.44Å; F276-Y340 AromaticContact CZ-CD2 3.87Å; F276-Y340 HydrophobicContact CZ-CD2 3.87Å; F276-Y340 AromaticContact CZ-CE2 3.57Å; F276-Y340 HydrophobicContact CZ-CE2 3.57Å
277	G	93.9	Very high	93.5	Very high	10 Å²	10	60.6 Å²	60.6	10%	0.103	30%	0.301	C	S	.	.			trans	66.8	23.4	-176.7	0	0	0	0	0	112.6	L272 K273 K282	L272-G277 PolarHBondContact O-N 2.87Å; L272-G277 VanDerWaalsContact O-N 3.15Å; K273-G277 WeakPolarHBondContact O-CA 3.34Å; K273-G277 PolarHBondContact O-N 2.9Å; K273-G277 VanDerWaalsContact O-N 3.09Å; G277-K282 VanDerWaalsContact O-CD 3.29Å; G277-K282 WeakPolarHBondContact O-CD 3.42Å
278	V	93	Very high	93.3	Very high	22 Å²	22	58 Å²	58	13%	0.133	29%	0.29	C	S	.	.			trans	-81.4	126.9	176.6	167.6	0	0	0	0	108.2	L272 K273 F276 K282 L284	L272-V278 HydrophobicContact CB-CB 3.98Å; L272-V278 HydrophobicContact CB-CG1 4.04Å; L272-V278 HydrophobicContact CD1-CG1 4.35Å; L272-V278 PolarHBondContact O-N 2.73Å; L272-V278 VanDerWaalsContact O-N 3.15Å; K273-V278 VanDerWaalsContact CA-O 3.3Å; K273-V278 WeakPolarHBondContact CA-O 3.33Å; F276-V278 HydrophobicContact CB-CG2 3.81Å; F276-V278 PolarHBondContact O-N 3.35Å; V278-K282 WeakPolarHBondContact CA-O 3.48Å; V278-K282 VanDerWaalsContact CG1-O 3.28Å; V278-K282 WeakPolarHBondContact CG1-O 3.35Å; V278-L284 HydrophobicContact CG2-CD1 4.21Å; V278-L284 HydrophobicContact CG2-CD2 3.58Å; V278-L284 HydrophobicContact CG2-CG 3.56Å
279	D	85.1	Confident	93.2	Very high	77 Å²	77	58 Å²	58	41%	0.412	29%	0.29	S	S	.	.			trans	-137.3	-162.9	178.8	60.1	25.6	0	0	0	109.9	E281 K282	D279-E281 PolarHBondContact O-N 2.97Å; D279-E281 PolarHBondContact OD1-N 2.76Å; D279-K282 PolarHBondContact N-O 3.24Å; D279-K282 VanDerWaalsContact O-O 3.08Å; D279-K282 PolarHBondContact OD1-N 3.43Å
280	G	78	Confident	93	Very high	75 Å²	75	51.4 Å²	51.4	77%	0.773	26%	0.261	S	S	*	.	S	Bend	trans	-61	-22.5	179.4	0	0	0	0	0	113.8
281	E	82.3	Confident	92.9	Very high	178 Å²	178	49.3 Å²	49.3	83%	0.832	26%	0.257	S	S	*	.	S	Bend	trans	-102.9	-43.8	-177	-61.9	-177.9	178.6	0	0	111.9	D279	D279-E281 PolarHBondContact O-N 2.97Å; D279-E281 PolarHBondContact OD1-N 2.76Å
282	K	88.3	Confident	92.8	Very high	94 Å²	94	51 Å²	51	41%	0.409	26%	0.263	S	S	.	.			trans	-89.3	129	-178.2	-66.6	176.4	179	177.5	0	111.4	G277 V278 D279	G277-K282 VanDerWaalsContact O-CD 3.29Å; G277-K282 WeakPolarHBondContact O-CD 3.42Å; V278-K282 WeakPolarHBondContact CA-O 3.48Å; V278-K282 VanDerWaalsContact CG1-O 3.28Å; V278-K282 WeakPolarHBondContact CG1-O 3.35Å; D279-K282 PolarHBondContact N-O 3.24Å; D279-K282 VanDerWaalsContact O-O 3.08Å; D279-K282 PolarHBondContact OD1-N 3.43Å
283	R	92.9	Very high	92.7	Very high	161 Å²	161	51.1 Å²	51.1	61%	0.608	27%	0.267	S	S	*	.			trans	-121.4	167.3	179	-61.1	-173	-177.4	-177.2	0.9	112.2
284	L	95.9	Very high	92.6	Very high	18 Å²	18	48.7 Å²	48.7	9%	0.094	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	142.7	169.7	-59.7	178.1	0	0	0	110	L272 F276 V278 F305 F306 V317	L272-L284 HydrophobicContact CD2-CD1 4.16Å; F276-L284 HydrophobicContact CB-CD2 4.22Å; F276-L284 HydrophobicContact CD2-CD1 3.86Å; F276-L284 HydrophobicContact CE2-CD1 4.44Å; F276-L284 HydrophobicContact CG-CD1 4.43Å; V278-L284 HydrophobicContact CG2-CD1 4.21Å; V278-L284 HydrophobicContact CG2-CD2 3.58Å; V278-L284 HydrophobicContact CG2-CG 3.56Å; L284-F305 HydrophobicContact CB-CB 4.15Å; L284-F305 HydrophobicContact CB-CD1 4.2Å; L284-F305 HydrophobicContact CD1-CB 3.9Å; L284-F305 HydrophobicContact CD1-CG 4.46Å; L284-F306 CarbonylContact C-O 3.49Å; L284-F306 VanDerWaalsContact CA-O 3.26Å; L284-F306 WeakPolarHBondContact CA-O 3.45Å; L284-F306 WeakPolarHBondContact CD2-O 3.43Å; L284-V317 HydrophobicContact CD1-CG2 4.01Å; L284-V317 HydrophobicContact CD2-CG1 3.94Å; L284-V317 HydrophobicContact CD2-CG2 4.37Å
285	N	96.1	Very high	92.5	Very high	46 Å²	46	51.4 Å²	51.4	25%	0.246	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	138.1	170.3	-68.4	-28	0	0	0	109.9	F305 F306 D308 M312	N285-F305 WeakPolarHBondContact O-CA 3.35Å; N285-F306 PolarHBondContact N-O 3.17Å; N285-F306 PolarHBondContact O-N 2.76Å; N285-D308 WeakPolarHBondContact ND2-CA 3.29Å; N285-D308 PolarHBondContact ND2-OD1 3.13Å; N285-M312 HydrophobicContact CB-SD 3.38Å; N285-M312 WeakPolarHBondContact CB-SD 3.47Å
286	A	96.4	Very high	92.4	Very high	26 Å²	26	56.9 Å²	56.9	22%	0.215	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	137	178.9	0	0	0	0	0	110.4	F257 V303 F305	F257-A286 HydrophobicContact CD1-CB 4.12Å; F257-A286 HydrophobicContact CE1-CB 3.6Å; F257-A286 HydrophobicContact CZ-CB 4.43Å; A286-V303 HydrophobicContact CB-CG1 3.67Å; A286-F305 HydrophobicContact CB-CD1 4.19Å; A286-F305 HydrophobicContact CB-CE1 3.88Å
287	F	95.4	Very high	92.4	Very high	20 Å²	20	58.3 Å²	58.3	9%	0.088	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	112.4	173.5	-173.5	-122.4	0	0	0	109.5	Q289 S304 F306 Y313 F456 S568	F287-Q289 PolarHBondContact O-NE2 3.37Å; F287-Q289 VanDerWaalsContact O-NE2 3.13Å; F287-S304 PolarHBondContact N-O 2.93Å; F287-S304 PolarHBondContact O-N 3.25Å; F287-F306 HydrophobicContact CB-CD2 3.9Å; F287-F306 HydrophobicContact CB-CE2 3.59Å; F287-F306 HydrophobicContact CD1-CE2 4.12Å; F287-F306 HydrophobicContact CD1-CZ 4.38Å; F287-F306 HydrophobicContact CG-CE2 4.28Å; F287-Y313 HydrophobicContact CD2-CD1 4.41Å; F287-Y313 AromaticContact CD2-CE1 3.81Å; F287-Y313 HydrophobicContact CD2-CE1 3.81Å; F287-Y313 HydrophobicContact CE2-CD1 4.35Å; F287-Y313 AromaticContact CE2-CE1 3.71Å; F287-Y313 HydrophobicContact CE2-CE1 3.71Å; F287-Y313 HydrophobicContact CG-CE1 4.37Å; F287-Y313 HydrophobicContact CZ-CD1 4.46Å; F287-Y313 HydrophobicContact CZ-CE1 4.2Å; F287-F456 HydrophobicContact CE1-CZ 4.09Å; F287-F456 HydrophobicContact CZ-CE2 4.44Å; F287-F456 AromaticContact CZ-CZ 3.8Å; F287-F456 HydrophobicContact CZ-CZ 3.8Å; F287-S568 WeakPolarHBondContact CE1-OG 3.41Å
288	E	94.3	Very high	92.5	Very high	15 Å²	15	58.8 Å²	58.8	7%	0.07	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	148.1	-179	65.9	161.5	-158.8	0	0	112.4	Y253 R292 T301 V303	Y253-E288 HydrophobicContact CE1-CG 4.09Å; Y253-E288 WeakPolarHBondContact CE1-OE2 3.25Å; Y253-E288 PolarHBondContact OH-OE1 2.86Å; Y253-E288 PolarHBondContact OH-OE2 2.7Å; E288-R292 IonicContact OE1-CZ 2.68Å; E288-R292 IonicContact OE1-NE 3.35Å; E288-R292 IonicContact OE1-NH2 2.7Å; E288-R292 PolarHBondContact OE1-NH2 3.35Å; E288-R292 IonicContact OE2-NE 3.52Å; E288-R292 IonicContact OE2-NH2 2.66Å; E288-T301 HydrophobicContact CB-CG2 3.71Å; E288-V303 HydrophobicContact CB-CG2 4.41Å
289	Q	94.3	Very high	92.7	Very high	4 Å²	4	57.8 Å²	57.8	2%	0.019	33%	0.325	C	S	.	.			trans	-106.1	154.1	173.6	-51.6	-50.6	-49.8	0	0	110.2	F287 W302 T454	F287-Q289 PolarHBondContact O-NE2 3.37Å; F287-Q289 VanDerWaalsContact O-NE2 3.13Å; Q289-W302 HydrophobicContact CB-CB 4.35Å; Q289-W302 WeakPolarHBondContact CB-O 3.44Å; Q289-W302 HydrophobicContact CG-CB 4.41Å; Q289-W302 PolarHBondContact N-O 2.81Å; Q289-T454 PolarHBondContact OE1-OG1 3.5Å
290	M	92.6	Very high	93.3	Very high	8 Å²	8	56.9 Å²	56.9	4%	0.039	32%	0.317	C	S	.	.	S	Bend	trans	-138.3	149.8	177.5	60.1	178	73.5	0	0	111.3	T454 K455 F456 I461	M290-T454 CarbonylContact O-C 3.55Å; M290-T454 WeakPolarHBondContact O-CA 3.35Å; M290-K455 PolarHBondContact O-N 2.83Å; M290-F456 HydrophobicContact CE-CD1 3.64Å; M290-F456 HydrophobicContact CE-CE1 3.85Å; M290-F456 HydrophobicContact CG-CD1 3.35Å; M290-F456 HydrophobicContact CG-CE1 3.68Å; M290-F456 HydrophobicContact CG-CG 4.1Å; M290-F456 HydrophobicContact SD-CB 4.35Å; M290-F456 HydrophobicContact SD-CD1 3.42Å; M290-F456 WeakPolarHBondContact SD-CD1 3.47Å; M290-F456 HydrophobicContact SD-CE1 4.11Å; M290-F456 HydrophobicContact SD-CG 4.28Å; M290-I461 HydrophobicContact CE-CD1 3.51Å; M290-I461 HydrophobicContact CE-CG1 3.91Å; M290-I461 HydrophobicContact SD-CD1 4.3Å
291	P	94.6	Very high	94.2	Very high	47 Å²	47	53.3 Å²	53.3	31%	0.305	28%	0.28	S	S	.	.	S	Bend	cis	-71.2	162.5	7	31.9	-35.4	0	0	0	113	G293 L453	P291-G293 VanDerWaalsContact C-N 3.28Å; P291-G293 PolarHBondContact O-N 3.12Å; P291-G293 VanDerWaalsContact O-N 3.12Å; P291-L453 VanDerWaalsContact CD-O 3.26Å; P291-L453 WeakPolarHBondContact CD-O 3.44Å
292	R	95.3	Very high	95	Very high	38 Å²	38	46 Å²	46	14%	0.143	25%	0.245	C	C	.	.	S	Bend	trans	-90.8	58.7	-173.2	-54.9	-176.4	-179.9	87.3	-0.7	111.1	E288 D298 R299 K300 T301	E288-R292 IonicContact OE1-CZ 2.68Å; E288-R292 IonicContact OE1-NE 3.35Å; E288-R292 IonicContact OE1-NH2 2.7Å; E288-R292 PolarHBondContact OE1-NH2 3.35Å; E288-R292 IonicContact OE2-NE 3.52Å; E288-R292 IonicContact OE2-NH2 2.66Å; R292-D298 CarbonylContact O-C 3.47Å; R292-D298 VanDerWaalsContact O-C 3.31Å; R292-R299 CarbonylContact O-C 3.58Å; R292-R299 VanDerWaalsContact O-CA 3.24Å; R292-R299 WeakPolarHBondContact O-CA 3.49Å; R292-R299 PolarHBondContact O-N 3.45Å; R292-K300 CarbonylContact C-O 3.39Å; R292-K300 WeakPolarHBondContact CA-O 3.33Å; R292-K300 PolarHBondContact O-N 2.65Å; R292-T301 WeakPolarHBondContact CB-OG1 3.3Å; R292-T301 WeakPolarHBondContact CD-OG1 3.2Å; R292-T301 VanDerWaalsContact CG-OG1 3.23Å; R292-T301 WeakPolarHBondContact CG-OG1 3.33Å
293	G	94.7	Very high	95.5	Very high	12 Å²	12	41.6 Å²	41.6	12%	0.124	23%	0.226	C	C	.	.	S	Bend	trans	135.4	-171.9	-175.8	0	0	0	0	0	111.6	P291 K300	P291-G293 VanDerWaalsContact C-N 3.28Å; P291-G293 PolarHBondContact O-N 3.12Å; P291-G293 VanDerWaalsContact O-N 3.12Å; G293-K300 PolarHBondContact N-O 3.38Å; G293-K300 VanDerWaalsContact N-O 3.1Å
294	V	93.9	Very high	95.7	Very high	90 Å²	90	34.2 Å²	34.2	55%	0.545	20%	0.199	S	C	.	.	S	Bend	trans	-121.7	-1.3	-174.3	-62.1	0	0	0	0	113.1	D298 L453	V294-D298 PolarHBondContact N-OD2 3.11Å; V294-L453 HydrophobicContact CG1-CD1 4.24Å; V294-L453 HydrophobicContact CG1-CD2 4.22Å
295	Q	94.5	Very high	95.8	Very high	135 Å²	135	33.5 Å²	33.5	63%	0.631	20%	0.195	S	C	*	.	S	Bend	trans	-146.5	160.6	177.1	57	177.4	29.5	0	0	111	G297 D298	Q295-G297 PolarHBondContact O-N 3.39Å; Q295-D298 VanDerWaalsContact CG-OD2 3.27Å; Q295-D298 WeakPolarHBondContact CG-OD2 2.9Å; Q295-D298 PolarHBondContact N-OD2 3.16Å; Q295-D298 WeakPolarHBondContact O-CB 3.18Å; Q295-D298 PolarHBondContact O-N 2.74Å
296	S	94.1	Very high	95.8	Very high	115 Å²	115	31.4 Å²	31.4	80%	0.804	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.1	131.7	177.4	179.3	0	0	0	0	111.1
297	G	94.4	Very high	95.7	Very high	34 Å²	34	32.1 Å²	32.1	35%	0.351	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	98.8	-24.1	-179.9	0	0	0	0	0	113.7	T244 Q295	T244-G297 WeakPolarHBondContact CG2-O 3.33Å; Q295-G297 PolarHBondContact O-N 3.39Å
298	D	96.8	Very high	95.6	Very high	20 Å²	20	36.4 Å²	36.4	11%	0.107	21%	0.205	C	C	.	.			trans	-59.3	146.1	173.2	-80.4	-21.3	0	0	0	110.9	R292 V294 Q295 K300	R292-D298 CarbonylContact O-C 3.47Å; R292-D298 VanDerWaalsContact O-C 3.31Å; V294-D298 PolarHBondContact N-OD2 3.11Å; Q295-D298 VanDerWaalsContact CG-OD2 3.27Å; Q295-D298 WeakPolarHBondContact CG-OD2 2.9Å; Q295-D298 PolarHBondContact N-OD2 3.16Å; Q295-D298 WeakPolarHBondContact O-CB 3.18Å; Q295-D298 PolarHBondContact O-N 2.74Å; D298-K300 IonicContact OD1-NZ 2.76Å; D298-K300 PolarHBondContact OD1-NZ 3.44Å
299	R	97.4	Very high	95.5	Very high	1 Å²	1	38.2 Å²	38.2	0%	0.004	21%	0.214	C	C	.	.			trans	-141.6	70.3	165.4	-174.6	179.8	-166.1	88.8	-5.5	109.7	T244 R246 L247 E252 R292 H325 E326	T244-R299 PolarHBondContact O-NH1 3.31Å; T244-R299 VanDerWaalsContact O-NH1 3.15Å; R246-R299 PolarHBondContact O-NH1 3.19Å; L247-R299 PolarHBondContact O-NH2 3.13Å; E252-R299 IonicContact OE1-CZ 2.73Å; E252-R299 IonicContact OE1-NE 3.17Å; E252-R299 PolarHBondContact OE1-NE 3.3Å; E252-R299 IonicContact OE1-NH2 3.75Å; E252-R299 PolarHBondContact OE1-NH2 2.84Å; E252-R299 IonicContact OE2-CZ 3.89Å; E252-R299 IonicContact OE2-NE 3.6Å; E252-R299 IonicContact OE2-NH2 2.68Å; E252-R299 PolarHBondContact OE2-NH2 2.95Å; R292-R299 CarbonylContact O-C 3.58Å; R292-R299 VanDerWaalsContact O-CA 3.24Å; R292-R299 WeakPolarHBondContact O-CA 3.49Å; R292-R299 PolarHBondContact O-N 3.45Å; R299-H325 WeakPolarHBondContact CG-CE1 3.5Å; R299-H325 WeakPolarHBondContact CG-ND1 3.25Å; R299-H325 PolarHBondContact NE-CE1 3.43Å; R299-H325 PolarHBondContact NE-ND1 2.97Å; R299-H325 CarbonylContact O-C 3.53Å; R299-H325 PolarHBondContact O-N 2.84Å; R299-H325 VanDerWaalsContact O-N 3.13Å; R299-E326 HydrophobicContact CB-CB 4.08Å; R299-E326 HydrophobicContact CB-CG 4.24Å; R299-E326 PolarHBondContact O-N 3.33Å
300	K	97.6	Very high	95.4	Very high	58 Å²	58	40.8 Å²	40.8	25%	0.252	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	114.6	-178.4	-58.7	166.1	-167.7	147.9	0	108.3	R292 G293 D298 L322 L323 N324	R292-K300 CarbonylContact C-O 3.39Å; R292-K300 WeakPolarHBondContact CA-O 3.33Å; R292-K300 PolarHBondContact O-N 2.65Å; G293-K300 PolarHBondContact N-O 3.38Å; G293-K300 VanDerWaalsContact N-O 3.1Å; D298-K300 IonicContact OD1-NZ 2.76Å; D298-K300 PolarHBondContact OD1-NZ 3.44Å; K300-L322 HydrophobicContact CB-CD1 4.05Å; K300-L323 CarbonylContact C-O 3.48Å; K300-L323 VanDerWaalsContact CA-O 3.25Å; K300-L323 WeakPolarHBondContact CA-O 3.47Å; K300-N324 HydrophobicContact CG-CB 4.13Å
301	T	97.6	Very high	95.4	Very high	0 Å²	0	41 Å²	41	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	125.3	-170.2	-69	0	0	0	0	110.7	E288 R292 V303 L323 H325	E288-T301 HydrophobicContact CB-CG2 3.71Å; R292-T301 WeakPolarHBondContact CB-OG1 3.3Å; R292-T301 WeakPolarHBondContact CD-OG1 3.2Å; R292-T301 VanDerWaalsContact CG-OG1 3.23Å; R292-T301 WeakPolarHBondContact CG-OG1 3.33Å; T301-V303 HydrophobicContact CG2-CG2 3.83Å; T301-L323 PolarHBondContact N-O 2.74Å; T301-L323 PolarHBondContact O-N 2.95Å; T301-H325 WeakPolarHBondContact CB-NE2 3.47Å; T301-H325 PolarHBondContact OG1-NE2 3.14Å
302	W	98.1	Very high	95.5	Very high	25 Å²	25	40.4 Å²	40.4	10%	0.095	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	126.5	160.8	-81.3	105	0	0	0	109.4	Q289 E320 V321 L322 K337 L339 Y344 P449 G450	Q289-W302 HydrophobicContact CB-CB 4.35Å; Q289-W302 WeakPolarHBondContact CB-O 3.44Å; Q289-W302 HydrophobicContact CG-CB 4.41Å; Q289-W302 PolarHBondContact N-O 2.81Å; W302-E320 HydrophobicContact CE3-CB 3.75Å; W302-E320 HydrophobicContact CZ3-CB 3.89Å; W302-V321 WeakPolarHBondContact CA-O 3.46Å; W302-L322 HydrophobicContact CD2-CB 3.82Å; W302-L322 HydrophobicContact CD2-CD1 4.19Å; W302-L322 HydrophobicContact CD2-CG 4.48Å; W302-L322 HydrophobicContact CE3-CB 3.99Å; W302-L322 HydrophobicContact CG-CB 4.48Å; W302-L322 HydrophobicContact CG-CD1 3.99Å; W302-L322 HydrophobicContact CH2-CB 3.97Å; W302-L322 HydrophobicContact CZ2-CB 3.78Å; W302-L322 HydrophobicContact CZ2-CD2 4.07Å; W302-L322 HydrophobicContact CZ2-CG 4.44Å; W302-L322 HydrophobicContact CZ3-CB 4.06Å; W302-K337 HydrophobicContact CH2-CB 3.81Å; W302-K337 HydrophobicContact CH2-CG 4.08Å; W302-K337 HydrophobicContact CZ2-CB 4.03Å; W302-K337 HydrophobicContact CZ2-CG 4.36Å; W302-L339 HydrophobicContact CZ3-CB 4.3Å; W302-Y344 HydrophobicContact CH2-CD1 4.45Å; W302-Y344 HydrophobicContact CH2-CE1 4.21Å; W302-Y344 HydrophobicContact CZ2-CE1 4.38Å; W302-P449 HydrophobicContact CD2-CB 3.95Å; W302-P449 HydrophobicContact CD2-CG 4Å; W302-P449 VanDerWaalsContact CE2-CB 3.49Å; W302-P449 HydrophobicContact CE3-CB 4.34Å; W302-P449 HydrophobicContact CE3-CG 3.88Å; W302-P449 HydrophobicContact CH2-CB 3.93Å; W302-P449 HydrophobicContact CH2-CG 3.54Å; W302-P449 HydrophobicContact CZ2-CB 3.48Å; W302-P449 VanDerWaalsContact CZ2-CB 3.48Å; W302-P449 HydrophobicContact CZ2-CG 3.68Å; W302-P449 HydrophobicContact CZ3-CB 4.34Å; W302-P449 HydrophobicContact CZ3-CG 3.65Å; W302-G450 VanDerWaalsContact CB-CA 3.48Å
303	V	98.3	Very high	95.5	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.006	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	120.1	174.3	-179	0	0	0	0	108.2	M256 F260 A286 E288 T301 F305 E320 V321	M256-V303 HydrophobicContact CE-CG2 4.45Å; M256-V303 HydrophobicContact SD-CG2 3.84Å; F260-V303 HydrophobicContact CE2-CB 4.09Å; F260-V303 HydrophobicContact CE2-CG1 3.87Å; F260-V303 HydrophobicContact CE2-CG2 3.96Å; F260-V303 HydrophobicContact CZ-CB 3.87Å; F260-V303 HydrophobicContact CZ-CG1 4.19Å; F260-V303 HydrophobicContact CZ-CG2 3.68Å; A286-V303 HydrophobicContact CB-CG1 3.67Å; E288-V303 HydrophobicContact CB-CG2 4.41Å; T301-V303 HydrophobicContact CG2-CG2 3.83Å; V303-F305 HydrophobicContact CB-CZ 4.45Å; V303-F305 HydrophobicContact CG1-CE1 4.18Å; V303-F305 HydrophobicContact CG1-CE2 4.24Å; V303-F305 HydrophobicContact CG1-CZ 3.9Å; V303-E320 CarbonylContact O-C 3.59Å; V303-E320 VanDerWaalsContact O-CA 3.22Å; V303-E320 WeakPolarHBondContact O-CA 3.17Å; V303-V321 PolarHBondContact N-O 3.42Å; V303-V321 PolarHBondContact O-N 3.41Å
304	S	97.6	Very high	95.5	Very high	6 Å²	6	40.6 Å²	40.6	4%	0.042	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	145.8	175.2	-57	0	0	0	0	109.6	F287 E320	F287-S304 PolarHBondContact N-O 2.93Å; F287-S304 PolarHBondContact O-N 3.25Å; S304-E320 WeakPolarHBondContact OG-CG 3.45Å; S304-E320 PolarHBondContact OG-OE1 2.75Å
305	F	97.8	Very high	95.6	Very high	3 Å²	3	36.7 Å²	36.7	1%	0.013	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	142.7	-177.8	-64.1	-83.7	0	0	0	112.3	F260 F265 L284 N285 A286 V303 V317 F319 V321	F260-F305 HydrophobicContact CD1-CZ 4.31Å; F260-F305 HydrophobicContact CD2-CE1 4.13Å; F260-F305 AromaticContact CD2-CZ 3.87Å; F260-F305 HydrophobicContact CD2-CZ 3.87Å; F260-F305 HydrophobicContact CE1-CZ 4.47Å; F260-F305 HydrophobicContact CE2-CE1 4.5Å; F260-F305 HydrophobicContact CE2-CZ 4.03Å; F260-F305 HydrophobicContact CG-CZ 4.03Å; F260-F305 HydrophobicContact CZ-CZ 4.34Å; F265-F305 HydrophobicContact CE1-CE1 4.23Å; F265-F305 HydrophobicContact CE1-CZ 4.31Å; F265-F305 HydrophobicContact CE2-CE1 4.25Å; F265-F305 AromaticContact CZ-CD1 3.74Å; F265-F305 HydrophobicContact CZ-CD1 3.74Å; F265-F305 AromaticContact CZ-CE1 3.43Å; F265-F305 HydrophobicContact CZ-CE1 3.43Å; F265-F305 VanDerWaalsContact CZ-CE1 3.43Å; F265-F305 HydrophobicContact CZ-CG 4.43Å; F265-F305 AromaticContact CZ-CZ 3.89Å; F265-F305 HydrophobicContact CZ-CZ 3.89Å; L284-F305 HydrophobicContact CB-CB 4.15Å; L284-F305 HydrophobicContact CB-CD1 4.2Å; L284-F305 HydrophobicContact CD1-CB 3.9Å; L284-F305 HydrophobicContact CD1-CG 4.46Å; N285-F305 WeakPolarHBondContact O-CA 3.35Å; A286-F305 HydrophobicContact CB-CD1 4.19Å; A286-F305 HydrophobicContact CB-CE1 3.88Å; V303-F305 HydrophobicContact CB-CZ 4.45Å; V303-F305 HydrophobicContact CG1-CE1 4.18Å; V303-F305 HydrophobicContact CG1-CE2 4.24Å; V303-F305 HydrophobicContact CG1-CZ 3.9Å; F305-V317 HydrophobicContact CB-CG2 4.03Å; F305-V317 WeakPolarHBondContact O-CG2 3.33Å; F305-V317 PolarHBondContact O-N 3.26Å; F305-V317 VanDerWaalsContact O-N 3.09Å; F305-F319 AromaticContact CD2-CD1 3.53Å; F305-F319 HydrophobicContact CD2-CD1 3.53Å; F305-F319 HydrophobicContact CD2-CE1 4.06Å; F305-F319 HydrophobicContact CD2-CG 4.41Å; F305-F319 WeakPolarHBondContact CD2-O 3.36Å; F305-F319 HydrophobicContact CE2-CD1 4.03Å; F305-F319 HydrophobicContact CE2-CE1 4.08Å; F305-F319 HydrophobicContact CG-CD1 4.2Å; F305-F319 PolarHBondContact N-O 3.29Å; F305-F319 VanDerWaalsContact N-O 3.09Å; F305-V321 HydrophobicContact CE2-CB 4.09Å; F305-V321 HydrophobicContact CE2-CG2 3.75Å; F305-V321 HydrophobicContact CZ-CG2 4.45Å
306	F	96.6	Very high	95.7	Very high	2 Å²	2	30.8 Å²	30.8	1%	0.009	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	155.5	-174.6	-64.3	-98.9	0	0	0	110.3	L284 N285 F287 M312 H315 P316 S569	L284-F306 CarbonylContact C-O 3.49Å; L284-F306 VanDerWaalsContact CA-O 3.26Å; L284-F306 WeakPolarHBondContact CA-O 3.45Å; L284-F306 WeakPolarHBondContact CD2-O 3.43Å; N285-F306 PolarHBondContact N-O 3.17Å; N285-F306 PolarHBondContact O-N 2.76Å; F287-F306 HydrophobicContact CB-CD2 3.9Å; F287-F306 HydrophobicContact CB-CE2 3.59Å; F287-F306 HydrophobicContact CD1-CE2 4.12Å; F287-F306 HydrophobicContact CD1-CZ 4.38Å; F287-F306 HydrophobicContact CG-CE2 4.28Å; F306-M312 HydrophobicContact CB-CB 4.26Å; F306-M312 WeakPolarHBondContact CB-O 3.48Å; F306-M312 WeakPolarHBondContact CD1-O 3.28Å; F306-H315 CarbonylContact C-O 3.31Å; F306-H315 VanDerWaalsContact CA-O 3.31Å; F306-H315 WeakPolarHBondContact CA-O 3.01Å; F306-P316 HydrophobicContact CD1-CB 3.87Å; F306-P316 VanDerWaalsContact CD1-N 3.33Å; F306-P316 HydrophobicContact CE1-CB 3.59Å; F306-P316 HydrophobicContact CE1-CG 4.28Å; F306-P316 HydrophobicContact CZ-CB 4.26Å; F306-S569 WeakPolarHBondContact CZ-O 3.24Å
307	R	94.6	Very high	95.8	Very high	40 Å²	40	25.5 Å²	25.5	15%	0.151	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	144.4	171.9	-57.1	-179.3	176.2	-74.2	-5.8	110	F276 M309 H315 V317 Y365	F276-R307 PolarHBondContact O-NH1 3.31Å; R307-M309 VanDerWaalsContact C-N 3.34Å; R307-M309 HydrophobicContact CB-CG 4.09Å; R307-M309 HydrophobicContact CB-SD 4.18Å; R307-M309 PolarHBondContact O-N 2.96Å; R307-H315 HydrophobicContact CB-CB 3.92Å; R307-H315 HydrophobicContact CG-CB 4.28Å; R307-H315 PolarHBondContact N-O 2.78Å; R307-V317 HydrophobicContact CG-CG1 3.62Å; R307-Y365 VanDerWaalsContact NH1-CD2 3.27Å
308	D	93.1	Very high	95.9	Very high	110 Å²	110	24.1 Å²	24.1	59%	0.588	13%	0.127	S	C	*	.	S	Bend	trans	-75.6	86.4	172.4	-170.1	25.8	0	0	0	111	N285	N285-D308 WeakPolarHBondContact ND2-CA 3.29Å; N285-D308 PolarHBondContact ND2-OD1 3.13Å
309	M	92.5	Very high	95.9	Very high	54 Å²	54	23.2 Å²	23.2	27%	0.266	12%	0.122	S	C	.	.	S	Bend	trans	-143.2	164.6	-177.1	-66.6	-174.9	68.4	0	0	110.3	R307 G311 M312 D370	R307-M309 VanDerWaalsContact C-N 3.34Å; R307-M309 HydrophobicContact CB-CG 4.09Å; R307-M309 HydrophobicContact CB-SD 4.18Å; R307-M309 PolarHBondContact O-N 2.96Å; M309-G311 PolarHBondContact O-N 3.03Å; M309-M312 PolarHBondContact O-N 2.92Å; M309-M312 VanDerWaalsContact O-N 3.17Å; M309-D370 HydrophobicContact CE-CB 3.62Å
310	S	92.1	Very high	96	Very high	58 Å²	58	23.5 Å²	23.5	41%	0.406	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	131.5	175.5	-41.9	0	0	0	0	109.8	H315 D370 G372	S310-H315 PolarHBondContact O-NE2 2.94Å; S310-D370 WeakPolarHBondContact CB-OD2 3.22Å; S310-D370 PolarHBondContact OG-OD2 3.27Å; S310-G372 WeakPolarHBondContact O-CA 3.18Å
311	G	92.7	Very high	96	Very high	12 Å²	12	20.8 Å²	20.8	12%	0.124	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.3	51.7	-176.3	0	0	0	0	0	112.1	M309 Y313 I314 H315 Y566	M309-G311 PolarHBondContact O-N 3.03Å; G311-Y313 PolarHBondContact O-N 2.88Å; G311-I314 WeakPolarHBondContact O-CG1 3.43Å; G311-I314 PolarHBondContact O-N 3.14Å; G311-H315 PolarHBondContact O-CD2 2.89Å; G311-Y566 VanDerWaalsContact CA-CE1 3.5Å
312	M	95.3	Very high	96.1	Very high	34 Å²	34	22.1 Å²	22.1	17%	0.167	12%	0.118	C	C	.	.	G	3₁₀ helix	trans	-43.6	-31.7	-176.5	70.4	177.9	-175.3	0	0	113.9	N285 F306 M309 I314 H315	N285-M312 HydrophobicContact CB-SD 3.38Å; N285-M312 WeakPolarHBondContact CB-SD 3.47Å; F306-M312 HydrophobicContact CB-CB 4.26Å; F306-M312 WeakPolarHBondContact CB-O 3.48Å; F306-M312 WeakPolarHBondContact CD1-O 3.28Å; M309-M312 PolarHBondContact O-N 2.92Å; M309-M312 VanDerWaalsContact O-N 3.17Å; M312-I314 PolarHBondContact O-N 2.87Å; M312-H315 PolarHBondContact O-N 2.9Å
313	Y	95.9	Very high	96.1	Very high	36 Å²	36	21 Å²	21	14%	0.141	11%	0.114	C	C	.	.	G	3₁₀ helix	trans	-55.3	-16.8	178.9	-52.5	-68.9	0	0	0	115.4	F287 G311 G541 N542 Y566 I567 S569	F287-Y313 HydrophobicContact CD2-CD1 4.41Å; F287-Y313 AromaticContact CD2-CE1 3.81Å; F287-Y313 HydrophobicContact CD2-CE1 3.81Å; F287-Y313 HydrophobicContact CE2-CD1 4.35Å; F287-Y313 AromaticContact CE2-CE1 3.71Å; F287-Y313 HydrophobicContact CE2-CE1 3.71Å; F287-Y313 HydrophobicContact CG-CE1 4.37Å; F287-Y313 HydrophobicContact CZ-CD1 4.46Å; F287-Y313 HydrophobicContact CZ-CE1 4.2Å; G311-Y313 PolarHBondContact O-N 2.88Å; Y313-G541 VanDerWaalsContact CZ-C 3.45Å; Y313-G541 WeakPolarHBondContact OH-CA 3.5Å; Y313-G541 PolarHBondContact OH-O 3Å; Y313-G541 VanDerWaalsContact OH-O 3.1Å; Y313-N542 HydrophobicContact CD1-CB 3.59Å; Y313-N542 HydrophobicContact CD2-CB 3.62Å; Y313-N542 HydrophobicContact CE1-CB 3.81Å; Y313-N542 VanDerWaalsContact CE2-CA 3.5Å; Y313-N542 HydrophobicContact CE2-CB 3.86Å; Y313-N542 HydrophobicContact CG-CB 3.47Å; Y313-N542 VanDerWaalsContact CG-CB 3.47Å; Y313-Y566 HydrophobicContact CD2-CD2 4.19Å; Y313-Y566 HydrophobicContact CD2-CG 4.19Å; Y313-I567 WeakPolarHBondContact CB-O 3.35Å; Y313-S569 VanDerWaalsContact O-CB 3.31Å; Y313-S569 WeakPolarHBondContact O-CB 3.4Å; Y313-S569 PolarHBondContact O-N 2.74Å; Y313-S569 PolarHBondContact O-OG 2.84Å
314	I	95.4	Very high	96.1	Very high	19 Å²	19	22 Å²	22	10%	0.097	12%	0.119	C	C	.	.	G	3₁₀ helix	trans	-109.9	18.4	174.8	62.8	148.4	0	0	0	113.2	G311 M312 Y371 I567 V587	G311-I314 WeakPolarHBondContact O-CG1 3.43Å; G311-I314 PolarHBondContact O-N 3.14Å; M312-I314 PolarHBondContact O-N 2.87Å; I314-Y371 WeakPolarHBondContact CD1-O 3.21Å; I314-I567 HydrophobicContact CG2-CG1 4.11Å; I314-V587 WeakPolarHBondContact O-CG2 3.26Å
315	H	95.7	Very high	96.1	Very high	7 Å²	7	21.8 Å²	21.8	3%	0.032	12%	0.118	C	C	.	.			trans	-126.3	49.1	176.8	-57.2	-80.6	0	0	0	112.9	F306 R307 S310 G311 M312 D370	F306-H315 CarbonylContact C-O 3.31Å; F306-H315 VanDerWaalsContact CA-O 3.31Å; F306-H315 WeakPolarHBondContact CA-O 3.01Å; R307-H315 HydrophobicContact CB-CB 3.92Å; R307-H315 HydrophobicContact CG-CB 4.28Å; R307-H315 PolarHBondContact N-O 2.78Å; S310-H315 PolarHBondContact O-NE2 2.94Å; G311-H315 PolarHBondContact O-CD2 2.89Å; M312-H315 PolarHBondContact O-N 2.9Å; H315-D370 IonicContact CE1-OD1 2.73Å; H315-D370 IonicContact NE2-OD1 3.08Å; H315-D370 PolarHBondContact NE2-OD1 2.81Å
316	P	96.2	Very high	96.1	Very high	12 Å²	12	25.3 Å²	25.3	8%	0.078	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	144.9	179.8	28.6	-35.8	0	0	0	110.7	F306 S569 Y571 V587	F306-P316 HydrophobicContact CD1-CB 3.87Å; F306-P316 VanDerWaalsContact CD1-N 3.33Å; F306-P316 HydrophobicContact CE1-CB 3.59Å; F306-P316 HydrophobicContact CE1-CG 4.28Å; F306-P316 HydrophobicContact CZ-CB 4.26Å; P316-S569 WeakPolarHBondContact CD-OG 3.37Å; P316-Y571 WeakPolarHBondContact O-CD2 3.32Å; P316-V587 HydrophobicContact CG-CB 4.49Å; P316-V587 HydrophobicContact CG-CG1 4.08Å; P316-V587 HydrophobicContact CG-CG2 4.25Å
317	V	96	Very high	96.1	Very high	3 Å²	3	26.7 Å²	26.7	2%	0.018	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	-4.8	-179.6	-58.3	0	0	0	0	114.7	F276 L284 F305 R307 F319	F276-V317 HydrophobicContact CD1-CB 3.55Å; F276-V317 HydrophobicContact CD1-CG1 4.14Å; F276-V317 HydrophobicContact CD1-CG2 3.98Å; F276-V317 HydrophobicContact CD2-CG2 4.26Å; F276-V317 HydrophobicContact CE1-CB 3.7Å; F276-V317 HydrophobicContact CE1-CG2 3.92Å; F276-V317 WeakPolarHBondContact CE1-O 3.49Å; F276-V317 HydrophobicContact CE2-CG2 4.18Å; F276-V317 HydrophobicContact CG-CB 4.09Å; F276-V317 HydrophobicContact CG-CG1 4.4Å; F276-V317 HydrophobicContact CG-CG2 4.17Å; F276-V317 HydrophobicContact CZ-CB 4.3Å; F276-V317 HydrophobicContact CZ-CG2 4.01Å; L284-V317 HydrophobicContact CD1-CG2 4.01Å; L284-V317 HydrophobicContact CD2-CG1 3.94Å; L284-V317 HydrophobicContact CD2-CG2 4.37Å; F305-V317 HydrophobicContact CB-CG2 4.03Å; F305-V317 WeakPolarHBondContact O-CG2 3.33Å; F305-V317 PolarHBondContact O-N 3.26Å; F305-V317 VanDerWaalsContact O-N 3.09Å; R307-V317 HydrophobicContact CG-CG1 3.62Å; V317-F319 HydrophobicContact CG2-CB 3.95Å
318	G	96.3	Very high	96.2	Very high	6 Å²	6	26 Å²	26	6%	0.062	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	76.2	26.4	-178.7	0	0	0	0	0	113.6	Y340 N341 Y571	G318-Y340 CarbonylContact O-C 3.53Å; G318-Y340 WeakPolarHBondContact O-CA 3.47Å; G318-N341 PolarHBondContact O-N 3.09Å; G318-Y571 VanDerWaalsContact CA-CG 3.41Å; G318-Y571 VanDerWaalsContact N-CB 3.35Å
319	F	98.2	Very high	96.3	Very high	1 Å²	1	24.3 Å²	24.3	0%	0.004	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	128	173.1	-174	-119.3	0	0	0	109.5	V264 F265 L268 F276 F305 V317 V321 L338 L339 Y340 L351	V264-F319 HydrophobicContact CG1-CE1 4.19Å; V264-F319 HydrophobicContact CG1-CZ 3.94Å; F265-F319 HydrophobicContact CE1-CD1 4.46Å; F265-F319 AromaticContact CE1-CE1 3.94Å; F265-F319 HydrophobicContact CE1-CE1 3.94Å; L268-F319 HydrophobicContact CD1-CE2 4.29Å; L268-F319 HydrophobicContact CD1-CZ 3.85Å; F276-F319 HydrophobicContact CE2-CB 3.86Å; F276-F319 HydrophobicContact CE2-CG 4.17Å; F276-F319 HydrophobicContact CZ-CB 3.7Å; F276-F319 HydrophobicContact CZ-CG 4.38Å; F305-F319 AromaticContact CD2-CD1 3.53Å; F305-F319 HydrophobicContact CD2-CD1 3.53Å; F305-F319 HydrophobicContact CD2-CE1 4.06Å; F305-F319 HydrophobicContact CD2-CG 4.41Å; F305-F319 WeakPolarHBondContact CD2-O 3.36Å; F305-F319 HydrophobicContact CE2-CD1 4.03Å; F305-F319 HydrophobicContact CE2-CE1 4.08Å; F305-F319 HydrophobicContact CG-CD1 4.2Å; F305-F319 PolarHBondContact N-O 3.29Å; F305-F319 VanDerWaalsContact N-O 3.09Å; V317-F319 HydrophobicContact CG2-CB 3.95Å; F319-V321 HydrophobicContact CE1-CG2 3.77Å; F319-V321 HydrophobicContact CZ-CG2 3.74Å; F319-L338 HydrophobicContact CE2-CD2 3.99Å; F319-L338 HydrophobicContact CZ-CD2 3.89Å; F319-L339 WeakPolarHBondContact CA-O 3.42Å; F319-L339 VanDerWaalsContact CD2-O 3.26Å; F319-L339 WeakPolarHBondContact CD2-O 3.36Å; F319-Y340 HydrophobicContact CD2-CD2 4.22Å; F319-L351 HydrophobicContact CE2-CD2 3.72Å
320	E	98.6	Very high	96.5	Very high	7 Å²	7	23 Å²	23	3%	0.033	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	146.5	177.5	-47.2	-171	167.3	0	0	110.3	W302 V303 S304 L338 L339 P449 G450	W302-E320 HydrophobicContact CE3-CB 3.75Å; W302-E320 HydrophobicContact CZ3-CB 3.89Å; V303-E320 CarbonylContact O-C 3.59Å; V303-E320 VanDerWaalsContact O-CA 3.22Å; V303-E320 WeakPolarHBondContact O-CA 3.17Å; S304-E320 WeakPolarHBondContact OG-CG 3.45Å; S304-E320 PolarHBondContact OG-OE1 2.75Å; E320-L338 WeakPolarHBondContact O-CA 3.11Å; E320-L339 HydrophobicContact CB-CB 4.08Å; E320-L339 HydrophobicContact CG-CB 4.47Å; E320-L339 HydrophobicContact CG-CD2 4.06Å; E320-L339 PolarHBondContact N-O 2.9Å; E320-L339 PolarHBondContact O-N 2.58Å; E320-P449 WeakPolarHBondContact OE2-CD 3.25Å; E320-P449 WeakPolarHBondContact OE2-CG 3.38Å; E320-G450 WeakPolarHBondContact OE2-CA 3.44Å; E320-G450 PolarHBondContact OE2-N 2.72Å
321	V	98.7	Very high	96.7	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	128.8	179.1	176.9	0	0	0	0	109.4	F260 V264 W302 V303 F305 F319 V335 L338	F260-V321 HydrophobicContact CD1-CG1 4.38Å; F260-V321 HydrophobicContact CE1-CB 4.12Å; F260-V321 HydrophobicContact CE1-CG1 3.77Å; V264-V321 HydrophobicContact CG1-CG2 4.22Å; W302-V321 WeakPolarHBondContact CA-O 3.46Å; V303-V321 PolarHBondContact N-O 3.42Å; V303-V321 PolarHBondContact O-N 3.41Å; F305-V321 HydrophobicContact CE2-CB 4.09Å; F305-V321 HydrophobicContact CE2-CG2 3.75Å; F305-V321 HydrophobicContact CZ-CG2 4.45Å; F319-V321 HydrophobicContact CE1-CG2 3.77Å; F319-V321 HydrophobicContact CZ-CG2 3.74Å; V321-V335 HydrophobicContact CG1-CG1 4Å; V321-V335 HydrophobicContact CG1-CG2 3.98Å; V321-L338 HydrophobicContact CG2-CD2 4.18Å; V321-L338 HydrophobicContact CG2-CG 4.47Å
322	L	98.8	Very high	97	Very high	29 Å²	29	30.4 Å²	30.4	15%	0.152	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	104.2	168.3	-178.1	56.3	0	0	0	109.2	K300 W302 E336 K337	K300-L322 HydrophobicContact CB-CD1 4.05Å; W302-L322 HydrophobicContact CD2-CB 3.82Å; W302-L322 HydrophobicContact CD2-CD1 4.19Å; W302-L322 HydrophobicContact CD2-CG 4.48Å; W302-L322 HydrophobicContact CE3-CB 3.99Å; W302-L322 HydrophobicContact CG-CB 4.48Å; W302-L322 HydrophobicContact CG-CD1 3.99Å; W302-L322 HydrophobicContact CH2-CB 3.97Å; W302-L322 HydrophobicContact CZ2-CB 3.78Å; W302-L322 HydrophobicContact CZ2-CD2 4.07Å; W302-L322 HydrophobicContact CZ2-CG 4.44Å; W302-L322 HydrophobicContact CZ3-CB 4.06Å; L322-E336 HydrophobicContact CB-CB 4.45Å; L322-E336 HydrophobicContact CD2-CB 3.91Å; L322-E336 HydrophobicContact CG-CB 4Å; L322-E336 PolarHBondContact O-N 2.67Å; L322-K337 HydrophobicContact CB-CB 3.92Å; L322-K337 HydrophobicContact CD2-CB 4.14Å; L322-K337 PolarHBondContact N-O 3.28Å
323	L	98.6	Very high	97.1	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	125.2	176.7	177.5	64.6	0	0	0	110.2	M256 F259 F260 K300 T301 H325 W333	M256-L323 HydrophobicContact CB-CD2 4.11Å; M256-L323 HydrophobicContact CG-CD2 3.49Å; M256-L323 VanDerWaalsContact CG-CD2 3.49Å; M256-L323 HydrophobicContact SD-CD2 3.63Å; F259-L323 HydrophobicContact CD1-CD1 3.62Å; F259-L323 HydrophobicContact CE1-CD1 3.46Å; F259-L323 VanDerWaalsContact CE1-CD1 3.46Å; F259-L323 HydrophobicContact CG-CD1 4.27Å; F259-L323 HydrophobicContact CZ-CD1 3.98Å; F260-L323 HydrophobicContact CE1-CB 4.18Å; F260-L323 HydrophobicContact CE1-CD2 4.27Å; F260-L323 HydrophobicContact CZ-CB 4.19Å; F260-L323 HydrophobicContact CZ-CD2 4.02Å; K300-L323 CarbonylContact C-O 3.48Å; K300-L323 VanDerWaalsContact CA-O 3.25Å; K300-L323 WeakPolarHBondContact CA-O 3.47Å; T301-L323 PolarHBondContact N-O 2.74Å; T301-L323 PolarHBondContact O-N 2.95Å; L323-H325 HydrophobicContact CD2-CB 4.15Å; L323-H325 HydrophobicContact CG-CB 4.16Å; L323-W333 HydrophobicContact CD1-CB 4.32Å; L323-W333 HydrophobicContact CD2-CE3 4.43Å
324	N	98.4	Very high	97.2	Very high	23 Å²	23	32.8 Å²	32.8	12%	0.123	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	110.3	163.2	-176.6	-15.6	0	0	0	109.2	K300 E326 W333 K334 E336	K300-N324 HydrophobicContact CG-CB 4.13Å; N324-E326 VanDerWaalsContact OD1-CB 3.32Å; N324-E326 WeakPolarHBondContact OD1-CB 3.5Å; N324-E326 PolarHBondContact OD1-N 3Å; N324-E326 VanDerWaalsContact OD1-N 3.17Å; N324-W333 VanDerWaalsContact O-CA 3.32Å; N324-W333 WeakPolarHBondContact O-CA 3.35Å; N324-W333 WeakPolarHBondContact O-CB 3.21Å; N324-K334 HydrophobicContact CB-CG 4.14Å; N324-K334 PolarHBondContact N-O 3.09Å; N324-K334 PolarHBondContact O-N 2.69Å; N324-E336 HydrophobicContact CB-CG 3.68Å; N324-E336 PolarHBondContact ND2-OE1 3.41Å
325	H	97.7	Very high	97.4	Very high	2 Å²	2	33.2 Å²	33.2	1%	0.009	18%	0.183	C	C	.	.			trans	-122.9	29.8	178.5	62.5	100.4	0	0	0	111.8	E252 R299 T301 L323 W333	E252-H325 IonicContact OE1-CE1 2.66Å; E252-H325 PolarHBondContact OE1-CE1 3.1Å; E252-H325 IonicContact OE1-ND1 2.64Å; E252-H325 PolarHBondContact OE1-ND1 2.95Å; R299-H325 WeakPolarHBondContact CG-CE1 3.5Å; R299-H325 WeakPolarHBondContact CG-ND1 3.25Å; R299-H325 PolarHBondContact NE-CE1 3.43Å; R299-H325 PolarHBondContact NE-ND1 2.97Å; R299-H325 CarbonylContact O-C 3.53Å; R299-H325 PolarHBondContact O-N 2.84Å; R299-H325 VanDerWaalsContact O-N 3.13Å; T301-H325 WeakPolarHBondContact CB-NE2 3.47Å; T301-H325 PolarHBondContact OG1-NE2 3.14Å; L323-H325 HydrophobicContact CD2-CB 4.15Å; L323-H325 HydrophobicContact CG-CB 4.16Å; H325-W333 HydrophobicContact CB-CD2 3.73Å; H325-W333 HydrophobicContact CB-CE3 4.18Å; H325-W333 HydrophobicContact CB-CG 4.1Å; H325-W333 HydrophobicContact CB-CH2 4.3Å; H325-W333 HydrophobicContact CB-CZ2 3.87Å; H325-W333 HydrophobicContact CB-CZ3 4.43Å
326	E	96.9	Very high	97.5	Very high	77 Å²	77	36 Å²	36	36%	0.36	20%	0.195	S	C	.	.			trans	-66.5	-38.9	-177.2	-171	179.7	116.2	0	0	113.5	T244 R299 N324	T244-E326 HydrophobicContact CG2-CG 4.43Å; R299-E326 HydrophobicContact CB-CB 4.08Å; R299-E326 HydrophobicContact CB-CG 4.24Å; R299-E326 PolarHBondContact O-N 3.33Å; N324-E326 VanDerWaalsContact OD1-CB 3.32Å; N324-E326 WeakPolarHBondContact OD1-CB 3.5Å; N324-E326 PolarHBondContact OD1-N 3Å; N324-E326 VanDerWaalsContact OD1-N 3.17Å
327	S	96.6	Very high	97.6	Very high	30 Å²	30	38.4 Å²	38.4	21%	0.21	21%	0.205	C	C	.	.	S	Bend	trans	-66.8	135.3	175.1	-174.2	0	0	0	0	111	N329 Q332 W333	S327-N329 PolarHBondContact O-N 3.4Å; S327-N329 PolarHBondContact OG-N 3.31Å; S327-N329 VanDerWaalsContact OG-N 3.11Å; S327-N329 PolarHBondContact OG-O 2.64Å; S327-Q332 VanDerWaalsContact CB-OE1 3.3Å; S327-Q332 PolarHBondContact OG-OE1 3.49Å; S327-W333 PolarHBondContact O-NE1 3.34Å
328	T	96.4	Very high	97.7	Very high	27 Å²	27	38.2 Å²	38.2	17%	0.166	20%	0.204	C	C	.	.	S	Bend	trans	-69.3	-12.9	169.2	54.3	0	0	0	0	112.3	P170 S171 I243	P170-T328 WeakPolarHBondContact O-CB 3.39Å; P170-T328 WeakPolarHBondContact O-CG2 3.33Å; S171-T328 PolarHBondContact N-O 2.99Å; I243-T328 HydrophobicContact CG1-CG2 4.47Å; I243-T328 HydrophobicContact CG2-CG2 4.13Å
329	N	96.3	Very high	97.8	Very high	73 Å²	73	38.1 Å²	38.1	39%	0.39	20%	0.202	S	C	.	.	S	Bend	trans	-91.2	106.2	168	-177.3	3.9	0	0	0	110.7	S327 S331 Q332	S327-N329 PolarHBondContact O-N 3.4Å; S327-N329 PolarHBondContact OG-N 3.31Å; S327-N329 VanDerWaalsContact OG-N 3.11Å; S327-N329 PolarHBondContact OG-O 2.64Å; N329-S331 PolarHBondContact ND2-OG 3.29Å; N329-S331 VanDerWaalsContact ND2-OG 3.13Å; N329-S331 PolarHBondContact O-N 3.31Å; N329-S331 VanDerWaalsContact O-N 3.1Å; N329-S331 PolarHBondContact OD1-N 2.91Å; N329-S331 VanDerWaalsContact OD1-N 3.14Å; N329-S331 PolarHBondContact OD1-OG 3.36Å; N329-S331 VanDerWaalsContact OD1-OG 3.04Å; N329-Q332 HydrophobicContact CB-CG 4.38Å; N329-Q332 WeakPolarHBondContact O-CB 3.24Å; N329-Q332 PolarHBondContact O-N 3.41Å
330	A	96.1	Very high	97.8	Very high	28 Å²	28	38.1 Å²	38.1	23%	0.231	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-61.5	-19.5	-178.2	0	0	0	0	0	114.9	L255 Q332 W333	L255-A330 HydrophobicContact CD1-CB 3.97Å; L255-A330 HydrophobicContact CD2-CB 4.43Å; A330-Q332 PolarHBondContact O-N 2.78Å; A330-W333 HydrophobicContact CB-CD2 3.97Å; A330-W333 HydrophobicContact CB-CE3 4.24Å; A330-W333 HydrophobicContact CB-CH2 4.29Å; A330-W333 HydrophobicContact CB-CZ2 4.01Å; A330-W333 HydrophobicContact CB-CZ3 4.39Å; A330-W333 WeakPolarHBondContact O-CB 3.35Å; A330-W333 PolarHBondContact O-N 3.06Å
331	S	96.6	Very high	97.6	Very high	101 Å²	101	39.1 Å²	39.1	71%	0.706	21%	0.207	S	C	*	.	G	3₁₀ helix	trans	-70	-12.8	174.8	78	0	0	0	0	113.4	N329	N329-S331 PolarHBondContact ND2-OG 3.29Å; N329-S331 VanDerWaalsContact ND2-OG 3.13Å; N329-S331 PolarHBondContact O-N 3.31Å; N329-S331 VanDerWaalsContact O-N 3.1Å; N329-S331 PolarHBondContact OD1-N 2.91Å; N329-S331 VanDerWaalsContact OD1-N 3.14Å; N329-S331 PolarHBondContact OD1-OG 3.36Å; N329-S331 VanDerWaalsContact OD1-OG 3.04Å
332	Q	97.6	Very high	97.5	Very high	123 Å²	123	40.7 Å²	40.7	58%	0.575	22%	0.224	S	C	*	.	G	3₁₀ helix	trans	-96.8	-1.3	177.9	-62.6	-179.9	-10.6	0	0	112.7	S327 N329 A330	S327-Q332 VanDerWaalsContact CB-OE1 3.3Å; S327-Q332 PolarHBondContact OG-OE1 3.49Å; N329-Q332 HydrophobicContact CB-CG 4.38Å; N329-Q332 WeakPolarHBondContact O-CB 3.24Å; N329-Q332 PolarHBondContact O-N 3.41Å; A330-Q332 PolarHBondContact O-N 2.78Å
333	W	98.4	Very high	97.4	Very high	15 Å²	15	42.9 Å²	42.9	6%	0.057	23%	0.233	C	C	.	.			trans	-67.9	148	178.1	-64.7	-0.2	0	0	0	110.8	P170 E252 L255 M256 F259 L323 N324 H325 S327 A330	P170-W333 HydrophobicContact CG-CZ2 4.13Å; E252-W333 HydrophobicContact CG-CH2 3.86Å; E252-W333 HydrophobicContact CG-CZ2 4.16Å; L255-W333 HydrophobicContact CB-CH2 3.65Å; L255-W333 HydrophobicContact CB-CZ3 3.6Å; L255-W333 HydrophobicContact CD1-CH2 4.35Å; M256-W333 HydrophobicContact CB-CZ3 4.16Å; F259-W333 HydrophobicContact CD2-CB 4.12Å; F259-W333 HydrophobicContact CE2-CB 4.04Å; F259-W333 WeakPolarHBondContact CE2-O 3.32Å; L323-W333 HydrophobicContact CD1-CB 4.32Å; L323-W333 HydrophobicContact CD2-CE3 4.43Å; N324-W333 VanDerWaalsContact O-CA 3.32Å; N324-W333 WeakPolarHBondContact O-CA 3.35Å; N324-W333 WeakPolarHBondContact O-CB 3.21Å; H325-W333 HydrophobicContact CB-CD2 3.73Å; H325-W333 HydrophobicContact CB-CE3 4.18Å; H325-W333 HydrophobicContact CB-CG 4.1Å; H325-W333 HydrophobicContact CB-CH2 4.3Å; H325-W333 HydrophobicContact CB-CZ2 3.87Å; H325-W333 HydrophobicContact CB-CZ3 4.43Å; S327-W333 PolarHBondContact O-NE1 3.34Å; A330-W333 HydrophobicContact CB-CD2 3.97Å; A330-W333 HydrophobicContact CB-CE3 4.24Å; A330-W333 HydrophobicContact CB-CH2 4.29Å; A330-W333 HydrophobicContact CB-CZ2 4.01Å; A330-W333 HydrophobicContact CB-CZ3 4.39Å; A330-W333 WeakPolarHBondContact O-CB 3.35Å; A330-W333 PolarHBondContact O-N 3.06Å
334	K	98.3	Very high	97.3	Very high	105 Å²	105	48.3 Å²	48.3	46%	0.457	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	156.2	-176.5	63.8	-177.9	-174.1	170.6	0	112.1	N324 E336	N324-K334 HydrophobicContact CB-CG 4.14Å; N324-K334 PolarHBondContact N-O 3.09Å; N324-K334 PolarHBondContact O-N 2.69Å; K334-E336 WeakPolarHBondContact CE-OE1 3.14Å; K334-E336 IonicContact NZ-OE1 2.83Å; K334-E336 IonicContact NZ-OE2 2.82Å
335	V	98.6	Very high	97.3	Very high	28 Å²	28	47.3 Å²	47.3	17%	0.17	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	125.9	168.8	179	0	0	0	0	108.9	F259 V264 V321 L338 V348	F259-V335 HydrophobicContact CE1-CG2 3.78Å; F259-V335 HydrophobicContact CZ-CG2 4.15Å; V264-V335 HydrophobicContact CG2-CG2 3.79Å; V321-V335 HydrophobicContact CG1-CG1 4Å; V321-V335 HydrophobicContact CG1-CG2 3.98Å; V335-L338 HydrophobicContact CG1-CD1 3.56Å; V335-L338 HydrophobicContact CG1-CG 3.82Å; V335-V348 HydrophobicContact CG2-CG2 4.19Å
336	E	98.1	Very high	97.4	Very high	65 Å²	65	51.3 Å²	51.3	30%	0.304	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	-31.2	175.4	-63.4	-76.1	-170.1	0	0	111.8	L322 N324 K334	L322-E336 HydrophobicContact CB-CB 4.45Å; L322-E336 HydrophobicContact CD2-CB 3.91Å; L322-E336 HydrophobicContact CG-CB 4Å; L322-E336 PolarHBondContact O-N 2.67Å; N324-E336 HydrophobicContact CB-CG 3.68Å; N324-E336 PolarHBondContact ND2-OE1 3.41Å; K334-E336 WeakPolarHBondContact CE-OE1 3.14Å; K334-E336 IonicContact NZ-OE1 2.83Å; K334-E336 IonicContact NZ-OE2 2.82Å
337	K	98.5	Very high	97.4	Very high	63 Å²	63	50.6 Å²	50.6	27%	0.274	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160	154.9	-177.2	-148	76.9	-178.1	-167.8	0	111	W302 L322 Y344 F345 N346	W302-K337 HydrophobicContact CH2-CB 3.81Å; W302-K337 HydrophobicContact CH2-CG 4.08Å; W302-K337 HydrophobicContact CZ2-CB 4.03Å; W302-K337 HydrophobicContact CZ2-CG 4.36Å; L322-K337 HydrophobicContact CB-CB 3.92Å; L322-K337 HydrophobicContact CD2-CB 4.14Å; L322-K337 PolarHBondContact N-O 3.28Å; K337-Y344 HydrophobicContact CG-CD1 4.1Å; K337-F345 WeakPolarHBondContact CD-O 3.34Å; K337-F345 WeakPolarHBondContact CG-O 3.32Å; K337-N346 PolarHBondContact NZ-OD1 3.02Å
338	L	98.6	Very high	97.5	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	151.5	168.4	-52.5	91.1	0	0	0	110.2	V264 F319 E320 V321 V335 Y344 F345 T347 V348 L351	V264-L338 HydrophobicContact CG1-CD2 4.47Å; F319-L338 HydrophobicContact CE2-CD2 3.99Å; F319-L338 HydrophobicContact CZ-CD2 3.89Å; E320-L338 WeakPolarHBondContact O-CA 3.11Å; V321-L338 HydrophobicContact CG2-CD2 4.18Å; V321-L338 HydrophobicContact CG2-CG 4.47Å; V335-L338 HydrophobicContact CG1-CD1 3.56Å; V335-L338 HydrophobicContact CG1-CG 3.82Å; L338-Y344 CarbonylContact O-C 3.58Å; L338-Y344 WeakPolarHBondContact O-CA 3.43Å; L338-F345 HydrophobicContact CB-CB 4.34Å; L338-F345 HydrophobicContact CD1-CB 4.44Å; L338-F345 PolarHBondContact N-O 2.97Å; L338-F345 PolarHBondContact O-N 2.84Å; L338-T347 VanDerWaalsContact CD1-C 3.47Å; L338-V348 HydrophobicContact CD1-CG2 4.45Å; L338-V348 HydrophobicContact CD2-CG2 4.14Å; L338-L351 HydrophobicContact CD2-CD2 4.09Å
339	L	98.1	Very high	97.6	Very high	4 Å²	4	52.6 Å²	52.6	2%	0.021	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	132.5	165.4	-173.8	87.7	0	0	0	108.6	W302 F319 E320 E343 Y344 T448 P449	W302-L339 HydrophobicContact CZ3-CB 4.3Å; F319-L339 WeakPolarHBondContact CA-O 3.42Å; F319-L339 VanDerWaalsContact CD2-O 3.26Å; F319-L339 WeakPolarHBondContact CD2-O 3.36Å; E320-L339 HydrophobicContact CB-CB 4.08Å; E320-L339 HydrophobicContact CG-CB 4.47Å; E320-L339 HydrophobicContact CG-CD2 4.06Å; E320-L339 PolarHBondContact N-O 2.9Å; E320-L339 PolarHBondContact O-N 2.58Å; L339-E343 CarbonylContact C-O 3.55Å; L339-E343 WeakPolarHBondContact CA-O 3.38Å; L339-Y344 HydrophobicContact CD1-CD1 4.07Å; L339-Y344 HydrophobicContact CD1-CD2 4.23Å; L339-Y344 HydrophobicContact CD1-CE1 3.91Å; L339-Y344 HydrophobicContact CD1-CE2 4.05Å; L339-Y344 HydrophobicContact CD1-CG 4.24Å; L339-T448 HydrophobicContact CD2-CG2 4.3Å; L339-P449 HydrophobicContact CB-CG 4.15Å; L339-P449 HydrophobicContact CD1-CG 4.29Å; L339-P449 HydrophobicContact CD2-CG 4.22Å; L339-P449 HydrophobicContact CG-CG 4.44Å
340	Y	98.1	Very high	97.7	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	121	168.1	172.7	-96.4	0	0	0	109.6	L271 S275 F276 G318 F319 G342 E343 L351 Y355 V360 T363	L271-Y340 HydrophobicContact CD1-CD2 4.1Å; L271-Y340 HydrophobicContact CD1-CE2 4.14Å; L271-Y340 HydrophobicContact CD1-CG 4.44Å; L271-Y340 HydrophobicContact CD2-CD2 4.16Å; L271-Y340 HydrophobicContact CD2-CE2 3.92Å; L271-Y340 HydrophobicContact CG-CD2 4.48Å; L271-Y340 HydrophobicContact CG-CE2 4.1Å; S275-Y340 PolarHBondContact OG-OH 3.11Å; F276-Y340 HydrophobicContact CE1-CE2 4.1Å; F276-Y340 HydrophobicContact CE2-CE2 4.44Å; F276-Y340 AromaticContact CZ-CD2 3.87Å; F276-Y340 HydrophobicContact CZ-CD2 3.87Å; F276-Y340 AromaticContact CZ-CE2 3.57Å; F276-Y340 HydrophobicContact CZ-CE2 3.57Å; G318-Y340 CarbonylContact O-C 3.53Å; G318-Y340 WeakPolarHBondContact O-CA 3.47Å; F319-Y340 HydrophobicContact CD2-CD2 4.22Å; Y340-G342 PolarHBondContact O-N 2.86Å; Y340-E343 PolarHBondContact N-O 2.89Å; Y340-E343 PolarHBondContact O-N 2.99Å; Y340-L351 HydrophobicContact CD1-CD1 4.32Å; Y340-L351 HydrophobicContact CG-CD1 4.25Å; Y340-Y355 HydrophobicContact CE1-CD2 4.32Å; Y340-Y355 HydrophobicContact CE1-CE2 4.31Å; Y340-Y355 AromaticContact CZ-CE2 3.99Å; Y340-V360 HydrophobicContact CE1-CG2 4.19Å; Y340-T363 PolarHBondContact OH-N 3.41Å
341	N	95.3	Very high	97.8	Very high	28 Å²	28	49.8 Å²	49.8	15%	0.15	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.9	39.5	177.7	-164.7	25.3	0	0	0	114.1	G318 E343 N361 Y571	G318-N341 PolarHBondContact O-N 3.09Å; N341-E343 VanDerWaalsContact C-N 3.33Å; N341-E343 PolarHBondContact O-N 2.83Å; N341-N361 PolarHBondContact ND2-O 3.39Å; N341-Y571 WeakPolarHBondContact OD1-CE1 3.36Å
342	G	95.1	Very high	97.9	Very high	34 Å²	34	48.9 Å²	48.9	35%	0.351	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	84	-2.2	-179.6	0	0	0	0	0	115.4	Y340	Y340-G342 PolarHBondContact O-N 2.86Å
343	E	96.8	Very high	97.9	Very high	74 Å²	74	48.1 Å²	48.1	35%	0.346	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	141.6	176.3	-63.3	179.8	-137.2	0	0	111.3	L339 Y340 N341 F345 N361	L339-E343 CarbonylContact C-O 3.55Å; L339-E343 WeakPolarHBondContact CA-O 3.38Å; Y340-E343 PolarHBondContact N-O 2.89Å; Y340-E343 PolarHBondContact O-N 2.99Å; N341-E343 VanDerWaalsContact C-N 3.33Å; N341-E343 PolarHBondContact O-N 2.83Å; E343-F345 HydrophobicContact CB-CE2 3.77Å; E343-F345 HydrophobicContact CB-CZ 3.95Å; E343-F345 WeakPolarHBondContact O-CD2 3.31Å; E343-F345 VanDerWaalsContact O-CE2 3.28Å; E343-F345 WeakPolarHBondContact O-CE2 3.28Å; E343-N361 PolarHBondContact OE1-N 2.99Å
344	Y	97.9	Very high	97.9	Very high	115 Å²	115	50.6 Å²	50.6	45%	0.451	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	145.9	179.1	-71.1	-86.4	0	0	0	112.6	W302 K337 L338 L339 P449	W302-Y344 HydrophobicContact CH2-CD1 4.45Å; W302-Y344 HydrophobicContact CH2-CE1 4.21Å; W302-Y344 HydrophobicContact CZ2-CE1 4.38Å; K337-Y344 HydrophobicContact CG-CD1 4.1Å; L338-Y344 CarbonylContact O-C 3.58Å; L338-Y344 WeakPolarHBondContact O-CA 3.43Å; L339-Y344 HydrophobicContact CD1-CD1 4.07Å; L339-Y344 HydrophobicContact CD1-CD2 4.23Å; L339-Y344 HydrophobicContact CD1-CE1 3.91Å; L339-Y344 HydrophobicContact CD1-CE2 4.05Å; L339-Y344 HydrophobicContact CD1-CG 4.24Å; Y344-P449 HydrophobicContact CE1-CB 3.95Å; Y344-P449 HydrophobicContact CE1-CG 3.77Å; Y344-P449 WeakPolarHBondContact OH-CB 3.42Å
345	F	98.5	Very high	97.9	Very high	1 Å²	1	45.8 Å²	45.8	0%	0.004	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	146.9	177.1	-55.7	-94.3	0	0	0	110.3	K337 L338 E343 E350 L351 K354 V360	K337-F345 WeakPolarHBondContact CD-O 3.34Å; K337-F345 WeakPolarHBondContact CG-O 3.32Å; L338-F345 HydrophobicContact CB-CB 4.34Å; L338-F345 HydrophobicContact CD1-CB 4.44Å; L338-F345 PolarHBondContact N-O 2.97Å; L338-F345 PolarHBondContact O-N 2.84Å; E343-F345 HydrophobicContact CB-CE2 3.77Å; E343-F345 HydrophobicContact CB-CZ 3.95Å; E343-F345 WeakPolarHBondContact O-CD2 3.31Å; E343-F345 VanDerWaalsContact O-CE2 3.28Å; E343-F345 WeakPolarHBondContact O-CE2 3.28Å; F345-E350 HydrophobicContact CD1-CG 4.45Å; F345-L351 HydrophobicContact CB-CB 4.09Å; F345-L351 HydrophobicContact CD1-CB 3.88Å; F345-L351 HydrophobicContact CD1-CD1 4.01Å; F345-L351 HydrophobicContact CD2-CB 4.36Å; F345-L351 HydrophobicContact CD2-CD1 3.86Å; F345-L351 HydrophobicContact CD2-CG 4.49Å; F345-L351 HydrophobicContact CE1-CB 4.46Å; F345-L351 HydrophobicContact CE1-CD1 3.79Å; F345-L351 HydrophobicContact CE2-CD1 3.68Å; F345-L351 HydrophobicContact CG-CB 3.83Å; F345-L351 HydrophobicContact CG-CD1 4.06Å; F345-L351 HydrophobicContact CG-CG 4.42Å; F345-L351 HydrophobicContact CZ-CD1 3.64Å; F345-K354 HydrophobicContact CD1-CD 4.09Å; F345-K354 HydrophobicContact CE1-CB 4.31Å; F345-K354 HydrophobicContact CE1-CD 3.7Å; F345-V360 HydrophobicContact CE1-CG1 3.8Å; F345-V360 HydrophobicContact CZ-CG1 3.67Å
346	N	98	Very high	97.9	Very high	86 Å²	86	47.1 Å²	47.1	46%	0.46	23%	0.233	S	C	.	.	S	Bend	trans	-85.2	-34.8	-179.8	-62.2	-56.6	0	0	0	112.4	K337 E350	K337-N346 PolarHBondContact NZ-OD1 3.02Å; N346-E350 WeakPolarHBondContact CB-OE2 3.1Å; N346-E350 PolarHBondContact N-OE2 3.36Å; N346-E350 PolarHBondContact ND2-OE2 3.34Å
347	T	98.4	Very high	97.8	Very high	62 Å²	62	48.9 Å²	48.9	38%	0.38	25%	0.245	S	C	.	.	S	Bend	trans	-136.5	160.1	-178.4	70.9	0	0	0	0	112	L338 E349 E350 L351	L338-T347 VanDerWaalsContact CD1-C 3.47Å; T347-E349 PolarHBondContact O-N 3.38Å; T347-E350 PolarHBondContact O-N 3.15Å; T347-E350 WeakPolarHBondContact OG1-CB 3.28Å; T347-E350 PolarHBondContact OG1-N 2.98Å; T347-L351 PolarHBondContact O-N 3.37Å
348	V	98.6	Very high	97.7	Very high	5 Å²	5	48.5 Å²	48.5	3%	0.03	26%	0.259	C	S	.	.	H	α-helix	trans	-61.7	-39	175.7	-178.3	0	0	0	0	110.1	V264 K267 L268 V335 L338 L351 K352	V264-V348 HydrophobicContact CG1-CG2 4.44Å; V264-V348 HydrophobicContact CG2-CG2 4.19Å; K267-V348 HydrophobicContact CB-CG1 3.79Å; K267-V348 HydrophobicContact CD-CB 4.46Å; K267-V348 HydrophobicContact CD-CG1 3.99Å; K267-V348 HydrophobicContact CG-CG1 4.48Å; L268-V348 HydrophobicContact CD1-CG1 4Å; L268-V348 HydrophobicContact CD2-CG1 4.15Å; L268-V348 HydrophobicContact CG-CG1 3.76Å; V335-V348 HydrophobicContact CG2-CG2 4.19Å; L338-V348 HydrophobicContact CD1-CG2 4.45Å; L338-V348 HydrophobicContact CD2-CG2 4.14Å; V348-L351 PolarHBondContact O-N 3.23Å; V348-K352 WeakPolarHBondContact O-CB 3.23Å; V348-K352 PolarHBondContact O-N 3.18Å
349	E	98.4	Very high	97.6	Very high	95 Å²	95	55.9 Å²	55.9	44%	0.444	29%	0.291	S	S	.	.	H	α-helix	trans	-67.5	-38.6	179.8	-63.9	71.5	-156.6	0	0	111.8	K267 T347 K352 M353	K267-E349 WeakPolarHBondContact CD-OE1 3.01Å; K267-E349 IonicContact NZ-OE1 3.6Å; K267-E349 PolarHBondContact NZ-OE1 3.05Å; T347-E349 PolarHBondContact O-N 3.38Å; E349-K352 PolarHBondContact O-N 2.9Å; E349-M353 WeakPolarHBondContact O-CB 3.39Å; E349-M353 PolarHBondContact O-N 3.49Å
350	E	98.2	Very high	97.5	Very high	42 Å²	42	56.2 Å²	56.2	20%	0.196	29%	0.293	C	S	.	.	H	α-helix	trans	-61.7	-49.4	174.6	-174.2	-166.6	170.2	0	0	111	F345 N346 T347 K352 M353 K354	F345-E350 HydrophobicContact CD1-CG 4.45Å; N346-E350 WeakPolarHBondContact CB-OE2 3.1Å; N346-E350 PolarHBondContact N-OE2 3.36Å; N346-E350 PolarHBondContact ND2-OE2 3.34Å; T347-E350 PolarHBondContact O-N 3.15Å; T347-E350 WeakPolarHBondContact OG1-CB 3.28Å; T347-E350 PolarHBondContact OG1-N 2.98Å; E350-K352 VanDerWaalsContact C-N 3.35Å; E350-K352 PolarHBondContact O-N 2.81Å; E350-M353 PolarHBondContact O-N 3.32Å; E350-K354 HydrophobicContact CG-CD 4.24Å; E350-K354 WeakPolarHBondContact O-CB 3.47Å; E350-K354 PolarHBondContact O-N 2.96Å; E350-K354 WeakPolarHBondContact OE1-CE 3.37Å; E350-K354 IonicContact OE1-NZ 3Å; E350-K354 PolarHBondContact OE1-NZ 3.22Å
351	L	98.6	Very high	97.2	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-59	-48	176.6	172.2	56.9	0	0	0	110.6	L268 L271 F319 L338 Y340 F345 T347 V348 M353 K354 Y355	L268-L351 HydrophobicContact CD1-CD2 3.86Å; L268-L351 HydrophobicContact CD2-CD2 4.35Å; L268-L351 HydrophobicContact CD2-CG 4.2Å; L271-L351 HydrophobicContact CD1-CD1 3.93Å; L271-L351 HydrophobicContact CD1-CD2 3.96Å; L271-L351 HydrophobicContact CD1-CG 3.92Å; F319-L351 HydrophobicContact CE2-CD2 3.72Å; L338-L351 HydrophobicContact CD2-CD2 4.09Å; Y340-L351 HydrophobicContact CD1-CD1 4.32Å; Y340-L351 HydrophobicContact CG-CD1 4.25Å; F345-L351 HydrophobicContact CB-CB 4.09Å; F345-L351 HydrophobicContact CD1-CB 3.88Å; F345-L351 HydrophobicContact CD1-CD1 4.01Å; F345-L351 HydrophobicContact CD2-CB 4.36Å; F345-L351 HydrophobicContact CD2-CD1 3.86Å; F345-L351 HydrophobicContact CD2-CG 4.49Å; F345-L351 HydrophobicContact CE1-CB 4.46Å; F345-L351 HydrophobicContact CE1-CD1 3.79Å; F345-L351 HydrophobicContact CE2-CD1 3.68Å; F345-L351 HydrophobicContact CG-CB 3.83Å; F345-L351 HydrophobicContact CG-CD1 4.06Å; F345-L351 HydrophobicContact CG-CG 4.42Å; F345-L351 HydrophobicContact CZ-CD1 3.64Å; T347-L351 PolarHBondContact O-N 3.37Å; V348-L351 PolarHBondContact O-N 3.23Å; L351-M353 PolarHBondContact O-N 2.98Å; L351-K354 PolarHBondContact O-N 3.48Å; L351-Y355 WeakPolarHBondContact O-CB 2.96Å; L351-Y355 PolarHBondContact O-N 3.02Å
352	K	98.4	Very high	97.1	Very high	82 Å²	82	63.3 Å²	63.3	36%	0.357	33%	0.328	S	S	.	.	H	α-helix	trans	-55.9	-51.6	178.4	-169.5	-163.4	-175.9	-37.2	0	111.4	K267 L268 V348 E349 E350 Y355 D356	K267-K352 WeakPolarHBondContact O-CD 3.32Å; K267-K352 WeakPolarHBondContact O-CE 3.48Å; L268-K352 HydrophobicContact CD2-CB 3.78Å; L268-K352 HydrophobicContact CD2-CG 4.3Å; V348-K352 WeakPolarHBondContact O-CB 3.23Å; V348-K352 PolarHBondContact O-N 3.18Å; E349-K352 PolarHBondContact O-N 2.9Å; E350-K352 VanDerWaalsContact C-N 3.35Å; E350-K352 PolarHBondContact O-N 2.81Å; K352-Y355 PolarHBondContact O-N 3.24Å; K352-D356 IonicContact NZ-OD2 2.8Å; K352-D356 PolarHBondContact NZ-OD2 3.5Å; K352-D356 WeakPolarHBondContact O-CB 3.47Å; K352-D356 PolarHBondContact O-N 3.04Å
353	M	98.3	Very high	97	Very high	107 Å²	107	62.6 Å²	62.6	53%	0.527	32%	0.316	S	S	.	.	H	α-helix	trans	-62.1	-46.3	-178	-179.6	-170.3	63.9	0	0	111.6	E349 E350 L351 Y355 D356 N357	E349-M353 WeakPolarHBondContact O-CB 3.39Å; E349-M353 PolarHBondContact O-N 3.49Å; E350-M353 PolarHBondContact O-N 3.32Å; L351-M353 PolarHBondContact O-N 2.98Å; M353-Y355 VanDerWaalsContact C-N 3.35Å; M353-D356 PolarHBondContact O-N 3.22Å; M353-N357 WeakPolarHBondContact O-CB 3.25Å; M353-N357 VanDerWaalsContact O-CG 3.28Å; M353-N357 PolarHBondContact O-N 2.96Å; M353-N357 VanDerWaalsContact O-N 3.1Å; M353-N357 PolarHBondContact O-ND2 2.72Å; M353-N357 VanDerWaalsContact O-ND2 3.15Å
354	K	98.3	Very high	96.7	Very high	67 Å²	67	64 Å²	64	29%	0.291	33%	0.33	S	S	.	.	H	α-helix	trans	-65.9	-38.8	178.4	-74	178.9	168.6	171.3	0	111.5	F345 E350 L351 G358 K359 V360	F345-K354 HydrophobicContact CD1-CD 4.09Å; F345-K354 HydrophobicContact CE1-CB 4.31Å; F345-K354 HydrophobicContact CE1-CD 3.7Å; E350-K354 HydrophobicContact CG-CD 4.24Å; E350-K354 WeakPolarHBondContact O-CB 3.47Å; E350-K354 PolarHBondContact O-N 2.96Å; E350-K354 WeakPolarHBondContact OE1-CE 3.37Å; E350-K354 IonicContact OE1-NZ 3Å; E350-K354 PolarHBondContact OE1-NZ 3.22Å; L351-K354 PolarHBondContact O-N 3.48Å; K354-G358 PolarHBondContact O-N 3.5Å; K354-K359 HydrophobicContact CB-CB 4.3Å; K354-K359 PolarHBondContact O-N 3.41Å; K354-V360 HydrophobicContact CB-CG1 3.63Å
355	Y	98.1	Very high	96.3	Very high	3 Å²	3	61.8 Å²	61.8	1%	0.012	32%	0.321	C	S	.	.	H	α-helix	trans	-63.3	-46.7	176.2	-170.9	-83.5	0	0	0	112.5	L271 E274 S275 Y340 L351 K352 M353 N357 G358 V360 K362	L271-Y355 HydrophobicContact CB-CD1 4.09Å; L271-Y355 HydrophobicContact CB-CD2 4.07Å; L271-Y355 HydrophobicContact CB-CE1 4Å; L271-Y355 HydrophobicContact CB-CE2 3.96Å; L271-Y355 HydrophobicContact CB-CG 4.14Å; L271-Y355 HydrophobicContact CD1-CD2 3.5Å; L271-Y355 HydrophobicContact CD1-CE2 3.9Å; L271-Y355 HydrophobicContact CD1-CG 4Å; L271-Y355 HydrophobicContact CG-CD2 3.71Å; L271-Y355 HydrophobicContact CG-CE2 3.57Å; L271-Y355 HydrophobicContact CG-CG 4.26Å; E274-Y355 WeakPolarHBondContact CB-OH 3.22Å; E274-Y355 VanDerWaalsContact OE2-CE1 3.29Å; E274-Y355 WeakPolarHBondContact OE2-CE1 3.34Å; E274-Y355 PolarHBondContact OE2-OH 3.05Å; S275-Y355 PolarHBondContact OG-OH 2.82Å; Y340-Y355 HydrophobicContact CE1-CD2 4.32Å; Y340-Y355 HydrophobicContact CE1-CE2 4.31Å; Y340-Y355 AromaticContact CZ-CE2 3.99Å; L351-Y355 WeakPolarHBondContact O-CB 2.96Å; L351-Y355 PolarHBondContact O-N 3.02Å; K352-Y355 PolarHBondContact O-N 3.24Å; M353-Y355 VanDerWaalsContact C-N 3.35Å; Y355-N357 VanDerWaalsContact C-N 3.3Å; Y355-N357 PolarHBondContact O-N 2.77Å; Y355-G358 PolarHBondContact O-N 2.86Å; Y355-G358 VanDerWaalsContact O-N 3.17Å; Y355-V360 HydrophobicContact CD2-CG2 3.57Å; Y355-V360 HydrophobicContact CE2-CG2 4.38Å; Y355-V360 HydrophobicContact CG-CG2 4.14Å; Y355-K362 HydrophobicContact CD2-CG 4.31Å; Y355-K362 HydrophobicContact CE1-CD 4.19Å; Y355-K362 HydrophobicContact CE2-CB 4.48Å; Y355-K362 HydrophobicContact CE2-CD 4.06Å; Y355-K362 HydrophobicContact CE2-CG 3.79Å; Y355-K362 VanDerWaalsContact O-CE 3.3Å; Y355-K362 WeakPolarHBondContact O-CE 3.35Å
356	D	97.4	Very high	95.9	Very high	57 Å²	57	68.2 Å²	68.2	31%	0.305	35%	0.349	S	S	.	.	H	α-helix	trans	-64.4	-36.1	179.9	-76.9	-26.7	0	0	0	112.5	K270 K352 M353 G358	K270-D356 VanDerWaalsContact CD-OD1 3.32Å; K270-D356 WeakPolarHBondContact CD-OD1 3.26Å; K270-D356 IonicContact NZ-OD1 3.23Å; K270-D356 PolarHBondContact NZ-OD1 3.24Å; K352-D356 IonicContact NZ-OD2 2.8Å; K352-D356 PolarHBondContact NZ-OD2 3.5Å; K352-D356 WeakPolarHBondContact O-CB 3.47Å; K352-D356 PolarHBondContact O-N 3.04Å; M353-D356 PolarHBondContact O-N 3.22Å; D356-G358 VanDerWaalsContact C-N 3.26Å; D356-G358 PolarHBondContact O-N 3.1Å
357	N	97.1	Very high	95.3	Very high	102 Å²	102	71.7 Å²	71.7	55%	0.545	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	5.4	177.8	-67.6	-27.1	0	0	0	113.8	M353 Y355 K359	M353-N357 WeakPolarHBondContact O-CB 3.25Å; M353-N357 VanDerWaalsContact O-CG 3.28Å; M353-N357 PolarHBondContact O-N 2.96Å; M353-N357 VanDerWaalsContact O-N 3.1Å; M353-N357 PolarHBondContact O-ND2 2.72Å; M353-N357 VanDerWaalsContact O-ND2 3.15Å; Y355-N357 VanDerWaalsContact C-N 3.3Å; Y355-N357 PolarHBondContact O-N 2.77Å; N357-K359 VanDerWaalsContact C-N 3.25Å; N357-K359 HydrophobicContact CB-CD 4.47Å; N357-K359 HydrophobicContact CB-CG 4.18Å; N357-K359 PolarHBondContact O-N 2.76Å
358	G	95.4	Very high	94.6	Very high	55 Å²	55	70.5 Å²	70.5	57%	0.567	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.1	23.9	179.6	0	0	0	0	0	114.4	K354 Y355 D356	K354-G358 PolarHBondContact O-N 3.5Å; Y355-G358 PolarHBondContact O-N 2.86Å; Y355-G358 VanDerWaalsContact O-N 3.17Å; D356-G358 VanDerWaalsContact C-N 3.26Å; D356-G358 PolarHBondContact O-N 3.1Å
359	K	96.6	Very high	94.1	Very high	155 Å²	155	74 Å²	74	67%	0.674	38%	0.38	S	S	*	.			trans	-94	10.9	-178.6	-64.6	-171	176.7	-177.1	0	113.9	K354 N357	K354-K359 HydrophobicContact CB-CB 4.3Å; K354-K359 PolarHBondContact O-N 3.41Å; N357-K359 VanDerWaalsContact C-N 3.25Å; N357-K359 HydrophobicContact CB-CD 4.47Å; N357-K359 HydrophobicContact CB-CG 4.18Å; N357-K359 PolarHBondContact O-N 2.76Å
360	V	95.3	Very high	93.6	Very high	11 Å²	11	72.3 Å²	72.3	7%	0.067	37%	0.374	C	S	.	.	S	Bend	trans	-125.5	148.8	176.2	-55.5	0	0	0	0	109.1	Y340 F345 K354 Y355 K362	Y340-V360 HydrophobicContact CE1-CG2 4.19Å; F345-V360 HydrophobicContact CE1-CG1 3.8Å; F345-V360 HydrophobicContact CZ-CG1 3.67Å; K354-V360 HydrophobicContact CB-CG1 3.63Å; Y355-V360 HydrophobicContact CD2-CG2 3.57Å; Y355-V360 HydrophobicContact CE2-CG2 4.38Å; Y355-V360 HydrophobicContact CG-CG2 4.14Å; V360-K362 HydrophobicContact CG2-CG 4.23Å; V360-K362 PolarHBondContact O-N 2.87Å
361	N	93	Very high	93.2	Very high	108 Å²	108	74.6 Å²	74.6	58%	0.578	38%	0.381	S	S	*	.			trans	-70.7	104.3	172.5	-172.2	15.1	0	0	0	110.2	N341 E343 T363	N341-N361 PolarHBondContact ND2-O 3.39Å; E343-N361 PolarHBondContact OE1-N 2.99Å; N361-T363 PolarHBondContact O-N 2.91Å
362	K	93.3	Very high	92.9	Very high	69 Å²	69	74.8 Å²	74.8	30%	0.3	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-75.2	119.9	-175.7	-66.8	-169.2	173	-167.5	0	111.5	E274 Y355 V360	E274-K362 IonicContact OE2-NZ 3.06Å; E274-K362 PolarHBondContact OE2-NZ 3.33Å; Y355-K362 HydrophobicContact CD2-CG 4.31Å; Y355-K362 HydrophobicContact CE1-CD 4.19Å; Y355-K362 HydrophobicContact CE2-CB 4.48Å; Y355-K362 HydrophobicContact CE2-CD 4.06Å; Y355-K362 HydrophobicContact CE2-CG 3.79Å; Y355-K362 VanDerWaalsContact O-CE 3.3Å; Y355-K362 WeakPolarHBondContact O-CE 3.35Å; V360-K362 HydrophobicContact CG2-CG 4.23Å; V360-K362 PolarHBondContact O-N 2.87Å
363	T	91.6	Very high	92.7	Very high	18 Å²	18	73.1 Å²	73.1	11%	0.11	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-65.1	129.8	156.6	-53.7	0	0	0	0	108.2	S275 Y340 N361	S275-T363 WeakPolarHBondContact CA-O 3.32Å; S275-T363 WeakPolarHBondContact CB-O 3.45Å; S275-T363 PolarHBondContact OG-O 2.91Å; Y340-T363 PolarHBondContact OH-N 3.41Å; N361-T363 PolarHBondContact O-N 2.91Å
364	V	91.3	Very high	92.4	Very high	105 Å²	105	74.6 Å²	74.6	64%	0.636	39%	0.391	S	S	*	.	P	Polyproline II helix	trans	-101.1	129	175.3	178.9	0	0	0	0	108.3	K366	V364-K366 PolarHBondContact O-N 2.83Å
365	Y	90.6	Very high	92.2	Very high	67 Å²	67	79.5 Å²	79.5	26%	0.263	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-60.1	129.3	175.7	174.1	-122	0	0	0	110.9	E274 S275 R307 E367	E274-Y365 WeakPolarHBondContact O-CB 3.45Å; E274-Y365 PolarHBondContact O-N 2.8Å; S275-Y365 PolarHBondContact O-N 3.38Å; R307-Y365 VanDerWaalsContact NH1-CD2 3.27Å; Y365-E367 HydrophobicContact CE1-CG 4.34Å
366	K	88.6	Confident	91.8	Very high	137 Å²	137	84.4 Å²	84.4	60%	0.596	45%	0.445	S	S	*	.			trans	-128.5	140.6	167.7	-63.3	-179.2	-176	175.7	0	108	V364 S368	V364-K366 PolarHBondContact O-N 2.83Å; K366-S368 PolarHBondContact O-N 3.1Å
367	E	86.4	Confident	91.4	Very high	159 Å²	159	93.4 Å²	93.4	74%	0.743	47%	0.474	S	S	*	.			trans	-63.8	130.5	167.7	-71.6	-170.3	164.9	0	0	109.2	Y365	Y365-E367 HydrophobicContact CE1-CG 4.34Å
368	S	83.3	Confident	91.2	Very high	36 Å²	36	97.3 Å²	97.3	25%	0.252	49%	0.486	S	S	.	.			trans	-117.8	145.5	178.4	58.5	0	0	0	0	110.1	K366	K366-S368 PolarHBondContact O-N 3.1Å
369	P	88	Confident	91	Very high	79 Å²	79	103.8 Å²	103.8	51%	0.513	50%	0.499	S	S	.	.			trans	-54.1	150	168.1	-23	32.7	0	0	0	111.4	Y371	P369-Y371 VanDerWaalsContact C-N 3.27Å; P369-Y371 HydrophobicContact CB-CD1 4.47Å; P369-Y371 HydrophobicContact CB-CE1 4.13Å; P369-Y371 HydrophobicContact CG-CE1 4.24Å; P369-Y371 VanDerWaalsContact O-CD2 3.3Å; P369-Y371 WeakPolarHBondContact O-CD2 3.38Å; P369-Y371 PolarHBondContact O-N 2.95Å
370	D	88.6	Confident	90.6	Very high	59 Å²	59	101.6 Å²	101.6	32%	0.316	50%	0.501	S	S	.	.			trans	-75	84.4	170.1	-172	-0.4	0	0	0	110.4	M309 S310 H315 G372 S373	M309-D370 HydrophobicContact CE-CB 3.62Å; S310-D370 WeakPolarHBondContact CB-OD2 3.22Å; S310-D370 PolarHBondContact OG-OD2 3.27Å; H315-D370 IonicContact CE1-OD1 2.73Å; H315-D370 IonicContact NE2-OD1 3.08Å; H315-D370 PolarHBondContact NE2-OD1 2.81Å; D370-G372 PolarHBondContact O-N 2.84Å; D370-G372 VanDerWaalsContact O-N 3.17Å; D370-G372 PolarHBondContact OD1-N 3.11Å; D370-S373 PolarHBondContact O-N 3.5Å; D370-S373 PolarHBondContact OD1-N 3.28Å
371	Y	88.6	Confident	90.5	Very high	91 Å²	91	109.6 Å²	109.6	36%	0.357	54%	0.542	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-18.4	175.4	-60.5	-65.4	0	0	0	112.9	I314 P369 A584	I314-Y371 WeakPolarHBondContact CD1-O 3.21Å; P369-Y371 VanDerWaalsContact C-N 3.27Å; P369-Y371 HydrophobicContact CB-CD1 4.47Å; P369-Y371 HydrophobicContact CB-CE1 4.13Å; P369-Y371 HydrophobicContact CG-CE1 4.24Å; P369-Y371 VanDerWaalsContact O-CD2 3.3Å; P369-Y371 WeakPolarHBondContact O-CD2 3.38Å; P369-Y371 PolarHBondContact O-N 2.95Å; Y371-A584 HydrophobicContact CD1-CB 4.42Å; Y371-A584 HydrophobicContact CD2-CB 3.76Å; Y371-A584 HydrophobicContact CE2-CB 4.08Å; Y371-A584 HydrophobicContact CG-CB 3.95Å
372	G	92.4	Very high	90.5	Very high	3 Å²	3	112.4 Å²	112.4	3%	0.031	55%	0.552	C	S	.	*	T	Hydrogen-bonded Turn	trans	-98.1	-3.9	-170.4	0	0	0	0	0	112.9	S310 D370 L374 Y566	S310-G372 WeakPolarHBondContact O-CA 3.18Å; D370-G372 PolarHBondContact O-N 2.84Å; D370-G372 VanDerWaalsContact O-N 3.17Å; D370-G372 PolarHBondContact OD1-N 3.11Å; G372-L374 PolarHBondContact O-N 3.37Å; G372-Y566 VanDerWaalsContact O-CE1 3.32Å; G372-Y566 WeakPolarHBondContact O-CE1 3.38Å; G372-Y566 PolarHBondContact O-OH 3.33Å
373	S	94.3	Very high	90.3	Very high	47 Å²	47	115.4 Å²	115.4	33%	0.329	57%	0.57	S	S	.	*			trans	-63.4	121.7	177.7	-179.7	0	0	0	0	112	D370 K375	D370-S373 PolarHBondContact O-N 3.5Å; D370-S373 PolarHBondContact OD1-N 3.28Å; S373-K375 VanDerWaalsContact C-N 3.26Å; S373-K375 WeakPolarHBondContact OG-CB 3.14Å; S373-K375 PolarHBondContact OG-N 3.07Å
374	L	93.5	Very high	90.4	Very high	138 Å²	138	119 Å²	119	72%	0.723	59%	0.593	S	S	*	*			trans	-84.9	4.1	171.4	-59.6	178.6	0	0	0	112.9	G372 Y566	G372-L374 PolarHBondContact O-N 3.37Å; L374-Y566 HydrophobicContact CD1-CE2 4.35Å; L374-Y566 WeakPolarHBondContact CG-OH 3.33Å
375	K	92.6	Very high	90.5	Very high	171 Å²	171	120.5 Å²	120.5	74%	0.743	61%	0.605	S	S	*	*	S	Bend	trans	-64.8	129.5	176.8	-68.6	179.6	-179	172	0	109.4	S373 R377	S373-K375 VanDerWaalsContact C-N 3.26Å; S373-K375 WeakPolarHBondContact OG-CB 3.14Å; S373-K375 PolarHBondContact OG-N 3.07Å; K375-R377 PolarHBondContact O-N 3Å
376	P	90.3	Very high	90.6	Very high	106 Å²	106	124 Å²	124	69%	0.688	62%	0.624	S	S	*	*			trans	-56.2	128.8	177.5	-25.9	33.9	0	0	0	111.5	K378	P376-K378 WeakPolarHBondContact CB-O 3.47Å; P376-K378 PolarHBondContact O-N 2.85Å
377	R	89.6	Confident	90.8	Very high	245 Å²	245	120.1 Å²	120.1	93%	0.925	61%	0.608	S	S	*	*	S	Bend	trans	-69.1	-18.4	176.4	-62.3	-175.8	-175	178.6	2.1	112.9	K375	K375-R377 PolarHBondContact O-N 3Å
378	K	92.4	Very high	91.2	Very high	184 Å²	184	119.6 Å²	119.6	80%	0.8	60%	0.603	S	S	*	*	S	Bend	trans	-135.2	148.2	178.2	-63.9	-175.9	-178.8	-179.7	0	109.4	P376	P376-K378 WeakPolarHBondContact CB-O 3.47Å; P376-K378 PolarHBondContact O-N 2.85Å
379	K	91	Very high	91.6	Very high	191 Å²	191	119.9 Å²	119.9	83%	0.83	60%	0.599	S	S	*	*			trans	-71.9	137.3	174.2	-67.2	-176.2	179.2	-179.1	0	110.1
380	P	88	Confident	91.7	Very high	110 Å²	110	120.3 Å²	120.3	71%	0.714	61%	0.61	S	S	*	*			trans	-59.1	142.9	170.8	-22.1	32.9	0	0	0	111.5
381	L	92.4	Very high	91.8	Very high	179 Å²	179	123 Å²	123	94%	0.937	62%	0.62	S	S	*	*	S	Bend	trans	-84.2	-27.6	-180	-64.9	176.4	0	0	0	113.2
382	Q	93.2	Very high	91.9	Very high	167 Å²	167	119.8 Å²	119.8	78%	0.78	62%	0.615	S	S	*	*	S	Bend	trans	-152.7	162.6	-177.4	64.5	-172.3	12.2	0	0	110.7
383	I	90.3	Very high	92	Very high	132 Å²	132	122 Å²	122	68%	0.677	62%	0.624	S	S	*	*	P	Polyproline II helix	trans	-71.8	137.6	174.1	-57.1	174.9	0	0	0	108.6
384	P	92.4	Very high	92	Very high	93 Å²	93	124.8 Å²	124.8	60%	0.604	63%	0.627	S	S	*	*	P	Polyproline II helix	trans	-67.7	161.5	176.8	28.4	-35.8	0	0	0	112.3
385	P	94.1	Very high	92.1	Very high	137 Å²	137	118.3 Å²	118.3	89%	0.89	59%	0.593	S	S	*	*	P	Polyproline II helix	trans	-53.3	140.6	172.5	-25.5	34.8	0	0	0	112.2
386	Q	92.9	Very high	92.4	Very high	141 Å²	141	111.4 Å²	111.4	66%	0.659	57%	0.566	S	S	*	*			trans	-121.4	137.7	-178.5	-65.1	-171.3	-21.5	0	0	111.3
387	Q	93.4	Very high	92.7	Very high	54 Å²	54	108.4 Å²	108.4	25%	0.252	54%	0.544	S	S	.	.			trans	-90.2	138.1	174.1	-163.7	-170.1	-57.5	0	0	110.9	N479 E505 H506	Q387-N479 PolarHBondContact O-ND2 3.02Å; Q387-E505 PolarHBondContact NE2-O 3.09Å; Q387-H506 PolarHBondContact OE1-ND1 3.18Å
388	F	93.6	Very high	93.1	Very high	149 Å²	149	100.8 Å²	100.8	65%	0.654	52%	0.519	S	S	*	.			trans	-142.2	163.9	175.8	71.2	-82.9	0	0	0	111.6	A390	F388-A390 HydrophobicContact CE2-CB 4Å
389	Y	92.1	Very high	93.3	Very high	42 Å²	42	97 Å²	97	17%	0.165	51%	0.507	C	S	.	.			trans	-103.8	104.7	179	-59.3	-82	0	0	0	109.7	E391 G392 K393 Y395 N479 E505	Y389-E391 VanDerWaalsContact C-N 3.33Å; Y389-E391 PolarHBondContact O-N 2.85Å; Y389-G392 WeakPolarHBondContact CB-O 3.33Å; Y389-K393 HydrophobicContact CD1-CG 4.36Å; Y389-K393 HydrophobicContact CD2-CG 3.89Å; Y389-K393 HydrophobicContact CE1-CG 4.42Å; Y389-K393 HydrophobicContact CE2-CG 3.97Å; Y389-K393 HydrophobicContact CG-CG 4.11Å; Y389-Y395 HydrophobicContact CE1-CE1 4.16Å; Y389-Y395 AromaticContact CZ-CE1 3.94Å; Y389-Y395 WeakPolarHBondContact OH-CE1 3.39Å; Y389-Y395 PolarHBondContact OH-OH 2.99Å; Y389-N479 HydrophobicContact CD2-CB 4.17Å; Y389-N479 HydrophobicContact CE2-CB 4.01Å; Y389-E505 HydrophobicContact CE1-CB 4.04Å; Y389-E505 PolarHBondContact OH-N 2.74Å; Y389-E505 VanDerWaalsContact OH-N 3.12Å; Y389-E505 PolarHBondContact OH-O 3.4Å
390	A	90.6	Very high	93.6	Very high	88 Å²	88	88.4 Å²	88.4	73%	0.727	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-34.8	-176.2	0	0	0	0	0	113.4	F388	F388-A390 HydrophobicContact CE2-CB 4Å
391	E	90.6	Very high	94.1	Very high	115 Å²	115	83.5 Å²	83.5	54%	0.537	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.3	25	-177.8	-66.1	-177.7	-157.5	0	0	112.5	V125 H126 Y389	V125-E391 HydrophobicContact CB-CB 4.31Å; V125-E391 HydrophobicContact CG2-CB 3.99Å; V125-E391 WeakPolarHBondContact CG2-O 3.13Å; H126-E391 IonicContact CD2-OE2 3.39Å; H126-E391 IonicContact NE2-OE2 2.8Å; H126-E391 PolarHBondContact NE2-OE2 3.17Å; Y389-E391 VanDerWaalsContact C-N 3.33Å; Y389-E391 PolarHBondContact O-N 2.85Å
392	G	90.3	Very high	94.4	Very high	24 Å²	24	75 Å²	75	25%	0.247	39%	0.393	C	S	.	.			trans	80.6	174.1	-172.6	0	0	0	0	0	113.5	Y389	Y389-G392 WeakPolarHBondContact CB-O 3.33Å
393	K	93.7	Very high	94.7	Very high	50 Å²	50	67.5 Å²	67.5	22%	0.217	36%	0.359	C	S	.	.			trans	-68.2	144.7	-175.7	-66.3	176.9	177	-164.4	0	110.6	H124 Y389 Y395 N479 D481	H124-K393 PolarHBondContact CE1-O 3.49Å; H124-K393 PolarHBondContact ND1-O 2.7Å; Y389-K393 HydrophobicContact CD1-CG 4.36Å; Y389-K393 HydrophobicContact CD2-CG 3.89Å; Y389-K393 HydrophobicContact CE1-CG 4.42Å; Y389-K393 HydrophobicContact CE2-CG 3.97Å; Y389-K393 HydrophobicContact CG-CG 4.11Å; K393-Y395 HydrophobicContact CB-CD1 4.27Å; K393-Y395 HydrophobicContact CB-CE1 4.05Å; K393-Y395 HydrophobicContact CD-CE1 4.23Å; K393-Y395 HydrophobicContact CD-CE2 4.27Å; K393-Y395 HydrophobicContact CG-CE1 4.16Å; K393-Y395 PolarHBondContact NZ-OH 3.48Å; K393-N479 VanDerWaalsContact CE-O 3.27Å; K393-N479 WeakPolarHBondContact CE-O 3.39Å; K393-N479 PolarHBondContact NZ-O 2.7Å; K393-N479 VanDerWaalsContact NZ-O 3.11Å; K393-D481 WeakPolarHBondContact CD-OD2 3.47Å; K393-D481 IonicContact NZ-OD1 3.58Å; K393-D481 PolarHBondContact NZ-OD1 2.92Å; K393-D481 IonicContact NZ-OD2 3.5Å; K393-D481 PolarHBondContact NZ-OD2 3.36Å
394	R	94.7	Very high	95	Very high	105 Å²	105	61.2 Å²	61.2	40%	0.396	33%	0.326	S	S	.	.	S	Bend	trans	-98.4	10.8	177.5	-53.6	-164.5	-59.9	172.6	-4.6	113.5	E505	R394-E505 IonicContact CZ-OE1 3.24Å; R394-E505 IonicContact CZ-OE2 2.99Å; R394-E505 VanDerWaalsContact NE-CD 3.34Å; R394-E505 IonicContact NE-OE1 2.97Å; R394-E505 PolarHBondContact NE-OE1 3.32Å; R394-E505 IonicContact NE-OE2 3.43Å; R394-E505 PolarHBondContact NE-OE2 3.36Å; R394-E505 IonicContact NH2-OE1 2.7Å; R394-E505 PolarHBondContact NH2-OE1 2.89Å; R394-E505 IonicContact NH2-OE2 3.3Å
395	Y	96.9	Very high	95.2	Very high	2 Å²	2	59.3 Å²	59.3	1%	0.008	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	163.1	175.7	63.6	-85.9	0	0	0	109.4	H124 Y389 K393 I397 L403 D481 I503 E505 L532	H124-Y395 PolarHBondContact CE1-O 3.25Å; Y389-Y395 HydrophobicContact CE1-CE1 4.16Å; Y389-Y395 AromaticContact CZ-CE1 3.94Å; Y389-Y395 WeakPolarHBondContact OH-CE1 3.39Å; Y389-Y395 PolarHBondContact OH-OH 2.99Å; K393-Y395 HydrophobicContact CB-CD1 4.27Å; K393-Y395 HydrophobicContact CB-CE1 4.05Å; K393-Y395 HydrophobicContact CD-CE1 4.23Å; K393-Y395 HydrophobicContact CD-CE2 4.27Å; K393-Y395 HydrophobicContact CG-CE1 4.16Å; K393-Y395 PolarHBondContact NZ-OH 3.48Å; Y395-I397 HydrophobicContact CD2-CD1 4.34Å; Y395-I397 HydrophobicContact CD2-CG1 4.2Å; Y395-I397 HydrophobicContact CE2-CD1 4.02Å; Y395-I397 HydrophobicContact CE2-CG1 4.37Å; Y395-L403 CarbonylContact C-O 3.59Å; Y395-L403 WeakPolarHBondContact CA-O 3.5Å; Y395-L403 WeakPolarHBondContact CB-O 3.35Å; Y395-D481 WeakPolarHBondContact CE2-OD2 3.39Å; Y395-D481 PolarHBondContact OH-OD2 2.88Å; Y395-I503 HydrophobicContact CD2-CG2 4.1Å; Y395-I503 HydrophobicContact CE2-CG2 3.91Å; Y395-I503 PolarHBondContact OH-O 2.94Å; Y395-I503 VanDerWaalsContact OH-O 3.09Å; Y395-E505 HydrophobicContact CD1-CB 4.09Å; Y395-E505 HydrophobicContact CE1-CB 4.12Å; Y395-L532 HydrophobicContact CD1-CD1 3.66Å; Y395-L532 HydrophobicContact CD2-CD1 3.99Å; Y395-L532 HydrophobicContact CE1-CD1 4.23Å; Y395-L532 HydrophobicContact CG-CD1 3.54Å
396	S	97.3	Very high	95.3	Very high	26 Å²	26	55 Å²	55	18%	0.182	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	149.2	175.3	179.9	0	0	0	0	110.2	H132 V402 L403	H132-S396 PolarHBondContact CE1-O 3.41Å; H132-S396 WeakPolarHBondContact NE2-CB 3.49Å; H132-S396 PolarHBondContact NE2-OG 2.95Å; S396-V402 WeakPolarHBondContact O-CA 3.21Å; S396-L403 PolarHBondContact N-O 3.27Å; S396-L403 PolarHBondContact O-N 3.18Å
397	I	97.6	Very high	95.6	Very high	43 Å²	43	48.5 Å²	48.5	22%	0.221	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	126.7	179.5	-51.5	162.8	0	0	0	106.8	Y395 H401 V402 F411 D481 I503	Y395-I397 HydrophobicContact CD2-CD1 4.34Å; Y395-I397 HydrophobicContact CD2-CG1 4.2Å; Y395-I397 HydrophobicContact CE2-CD1 4.02Å; Y395-I397 HydrophobicContact CE2-CG1 4.37Å; I397-H401 WeakPolarHBondContact CA-O 3.47Å; I397-V402 HydrophobicContact CG1-CG2 4.28Å; I397-V402 HydrophobicContact CG2-CG2 4.46Å; I397-F411 HydrophobicContact CG2-CE1 4.09Å; I397-F411 HydrophobicContact CG2-CZ 4.48Å; I397-D481 HydrophobicContact CD1-CB 3.54Å; I397-I503 HydrophobicContact CD1-CB 3.74Å; I397-I503 HydrophobicContact CD1-CD1 3.63Å; I397-I503 HydrophobicContact CD1-CG1 4.26Å; I397-I503 HydrophobicContact CD1-CG2 3.87Å; I397-I503 HydrophobicContact CG1-CD1 4.17Å; I397-I503 HydrophobicContact CG1-CG2 4.4Å
398	Q	97.3	Very high	95.9	Very high	85 Å²	85	47.1 Å²	47.1	40%	0.397	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	121.8	170.7	-174.8	-177.2	-35.4	0	0	107.5	H132 N400 H401	H132-Q398 HydrophobicContact CB-CB 4.11Å; H132-Q398 VanDerWaalsContact CB-OE1 3.23Å; H132-Q398 PolarHBondContact CD2-OE1 3.07Å; H132-Q398 PolarHBondContact CE1-N 3.17Å; Q398-N400 PolarHBondContact O-N 2.86Å; Q398-N400 VanDerWaalsContact O-N 3.09Å; Q398-H401 PolarHBondContact N-O 2.99Å; Q398-H401 WeakPolarHBondContact O-CB 3.45Å; Q398-H401 PolarHBondContact O-N 2.93Å
399	D	96.4	Very high	96.1	Very high	105 Å²	105	40 Å²	40	56%	0.561	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.7	-113.5	-171.3	-53.8	-53.5	0	0	0	111	L137	L137-D399 HydrophobicContact CD2-CB 3.65Å
400	N	98	Very high	96.4	Very high	9 Å²	9	38.1 Å²	38.1	5%	0.048	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.1	13	177.1	82.6	-42	0	0	0	113.8	S136 A140 Q398 A410 F411	S136-N400 WeakPolarHBondContact CB-OD1 3.44Å; S136-N400 PolarHBondContact O-ND2 2.6Å; S136-N400 PolarHBondContact O-OD1 2.81Å; S136-N400 PolarHBondContact OG-OD1 3.11Å; A140-N400 WeakPolarHBondContact CA-ND2 3.46Å; A140-N400 HydrophobicContact CB-CB 4.02Å; A140-N400 PolarHBondContact N-ND2 2.88Å; A140-N400 VanDerWaalsContact N-ND2 3.18Å; Q398-N400 PolarHBondContact O-N 2.86Å; Q398-N400 VanDerWaalsContact O-N 3.09Å; N400-A410 CarbonylContact O-C 3.56Å; N400-A410 WeakPolarHBondContact O-CA 3.32Å; N400-F411 VanDerWaalsContact C-CE1 3.48Å; N400-F411 HydrophobicContact CB-CE1 4.43Å; N400-F411 WeakPolarHBondContact CB-O 3.45Å; N400-F411 PolarHBondContact ND2-O 2.94Å; N400-F411 WeakPolarHBondContact O-CD1 3.34Å; N400-F411 PolarHBondContact O-N 2.94Å
401	H	98.7	Very high	96.8	Very high	8 Å²	8	34.4 Å²	34.4	4%	0.037	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	130.9	-176	-172	-136.3	0	0	0	111.7	H132 D133 I397 Q398 S408 F409	H132-H401 WeakPolarHBondContact CA-ND1 3.45Å; H132-H401 PolarHBondContact CE1-O 3.29Å; H132-H401 VanDerWaalsContact CE1-O 3.28Å; H132-H401 AromaticContact CG-ND1 3.82Å; H132-H401 AromaticContact ND1-CG 3.76Å; H132-H401 AromaticContact ND1-ND1 3.07Å; H132-H401 PolarHBondContact ND1-ND1 2.84Å; D133-H401 PolarHBondContact N-ND1 3.43Å; I397-H401 WeakPolarHBondContact CA-O 3.47Å; Q398-H401 PolarHBondContact N-O 2.99Å; Q398-H401 WeakPolarHBondContact O-CB 3.45Å; Q398-H401 PolarHBondContact O-N 2.93Å; H401-S408 PolarHBondContact NE2-OG 3.46Å; H401-F409 PolarHBondContact CD2-O 3.21Å; H401-F409 VanDerWaalsContact CD2-O 3.24Å
402	V	98.7	Very high	97.1	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	135	-180	-177.3	0	0	0	0	110.3	S396 I397 S408 F409 F411 I503 L532	S396-V402 WeakPolarHBondContact O-CA 3.21Å; I397-V402 HydrophobicContact CG1-CG2 4.28Å; I397-V402 HydrophobicContact CG2-CG2 4.46Å; V402-S408 WeakPolarHBondContact O-CA 3.43Å; V402-F409 HydrophobicContact CB-CD1 4.25Å; V402-F409 HydrophobicContact CB-CD2 4.27Å; V402-F409 HydrophobicContact CB-CE1 3.78Å; V402-F409 HydrophobicContact CB-CE2 3.81Å; V402-F409 HydrophobicContact CB-CG 4.48Å; V402-F409 HydrophobicContact CB-CZ 3.54Å; V402-F409 HydrophobicContact CG1-CE1 3.76Å; V402-F409 HydrophobicContact CG1-CE2 4.4Å; V402-F409 HydrophobicContact CG1-CZ 3.65Å; V402-F409 HydrophobicContact CG2-CD2 4.45Å; V402-F409 HydrophobicContact CG2-CE2 3.77Å; V402-F409 HydrophobicContact CG2-CZ 3.83Å; V402-F409 PolarHBondContact N-O 2.73Å; V402-F409 PolarHBondContact O-N 2.84Å; V402-F409 VanDerWaalsContact O-N 3.1Å; V402-F411 HydrophobicContact CG2-CD1 3.7Å; V402-F411 HydrophobicContact CG2-CE1 3.84Å; V402-I503 HydrophobicContact CG2-CD1 4Å; V402-L532 HydrophobicContact CG1-CD2 3.61Å
403	L	98.6	Very high	97.5	Very high	10 Å²	10	28.1 Å²	28.1	5%	0.052	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	127.6	170.2	-63.4	175.9	0	0	0	109.1	L128 Y395 S396	L128-L403 HydrophobicContact CD1-CD1 4.39Å; Y395-L403 CarbonylContact C-O 3.59Å; Y395-L403 WeakPolarHBondContact CA-O 3.5Å; Y395-L403 WeakPolarHBondContact CB-O 3.35Å; S396-L403 PolarHBondContact N-O 3.27Å; S396-L403 PolarHBondContact O-N 3.18Å
404	Y	97.8	Very high	97.6	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	108.6	175.7	166.8	-117.3	0	0	0	110.8	D406 W407 E505 S530 L532 F551	Y404-D406 PolarHBondContact O-N 2.77Å; Y404-W407 HydrophobicContact CD1-CB 4.44Å; Y404-W407 AromaticContact CD1-CD1 3.61Å; Y404-W407 HydrophobicContact CD1-CG 4.32Å; Y404-W407 PolarHBondContact N-O 2.93Å; Y404-W407 WeakPolarHBondContact O-CA 3.26Å; Y404-W407 VanDerWaalsContact O-CB 3.23Å; Y404-W407 WeakPolarHBondContact O-CB 3.49Å; Y404-W407 PolarHBondContact O-N 3.15Å; Y404-E505 HydrophobicContact CE2-CB 4.5Å; Y404-E505 HydrophobicContact CE2-CG 4.41Å; Y404-E505 VanDerWaalsContact CE2-OE1 3.32Å; Y404-E505 WeakPolarHBondContact CE2-OE1 3.5Å; Y404-E505 PolarHBondContact OH-OE1 3.41Å; Y404-S530 PolarHBondContact OH-O 3.37Å; Y404-L532 HydrophobicContact CD1-CB 3.32Å; Y404-L532 HydrophobicContact CD1-CD2 4.4Å; Y404-L532 HydrophobicContact CD1-CG 4.34Å; Y404-L532 HydrophobicContact CD2-CB 4.18Å; Y404-L532 HydrophobicContact CD2-CD1 4.35Å; Y404-L532 HydrophobicContact CE1-CB 3.64Å; Y404-L532 HydrophobicContact CE2-CB 4.44Å; Y404-L532 HydrophobicContact CG-CB 3.62Å; Y404-L532 HydrophobicContact CG-CD1 4.22Å; Y404-L532 HydrophobicContact CG-CD2 4.23Å; Y404-L532 HydrophobicContact CG-CG 4.23Å; Y404-F551 WeakPolarHBondContact CE1-O 3.38Å
405	L	95.8	Very high	97.7	Very high	52 Å²	52	21 Å²	21	27%	0.272	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.8	-112.9	-174.6	-55.9	176.9	0	0	0	110.9	Q553	L405-Q553 HydrophobicContact CD1-CG 3.7Å
406	D	97.1	Very high	97.5	Very high	48 Å²	48	23.8 Å²	23.8	26%	0.257	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-1.6	179.1	-59.6	-63.9	0	0	0	113	K129 Y404 F426 N427	K129-D406 VanDerWaalsContact CD-OD1 3.3Å; K129-D406 WeakPolarHBondContact CD-OD1 2.89Å; K129-D406 IonicContact NZ-OD1 3.37Å; K129-D406 PolarHBondContact NZ-OD1 2.72Å; K129-D406 IonicContact NZ-OD2 2.74Å; K129-D406 PolarHBondContact NZ-OD2 2.85Å; Y404-D406 PolarHBondContact O-N 2.77Å; D406-F426 HydrophobicContact CB-CD2 4.05Å; D406-F426 HydrophobicContact CB-CE2 3.7Å; D406-F426 HydrophobicContact CB-CZ 4.06Å; D406-F426 CarbonylContact O-C 3.04Å; D406-F426 WeakPolarHBondContact O-CA 3.41Å; D406-N427 PolarHBondContact O-N 2.78Å
407	W	98.5	Very high	97.5	Very high	4 Å²	4	24.2 Å²	24.2	2%	0.015	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	142.7	177.2	-65	99.7	0	0	0	113	Y404 V424 K425 F426 I431 F551 Y552 G555 S556 V557	Y404-W407 HydrophobicContact CD1-CB 4.44Å; Y404-W407 AromaticContact CD1-CD1 3.61Å; Y404-W407 HydrophobicContact CD1-CG 4.32Å; Y404-W407 PolarHBondContact N-O 2.93Å; Y404-W407 WeakPolarHBondContact O-CA 3.26Å; Y404-W407 VanDerWaalsContact O-CB 3.23Å; Y404-W407 WeakPolarHBondContact O-CB 3.49Å; Y404-W407 PolarHBondContact O-N 3.15Å; W407-V424 HydrophobicContact CE3-CG1 4.13Å; W407-V424 HydrophobicContact CZ3-CG1 3.87Å; W407-K425 WeakPolarHBondContact CA-O 3.38Å; W407-F426 AromaticContact CD2-CD2 3.61Å; W407-F426 HydrophobicContact CD2-CD2 3.61Å; W407-F426 HydrophobicContact CD2-CE2 4.32Å; W407-F426 AromaticContact CE2-CD2 3.45Å; W407-F426 VanDerWaalsContact CE2-CD2 3.45Å; W407-F426 AromaticContact CE2-CE2 3.83Å; W407-F426 HydrophobicContact CE3-CB 4.11Å; W407-F426 AromaticContact CE3-CD2 3.98Å; W407-F426 HydrophobicContact CE3-CD2 3.98Å; W407-F426 HydrophobicContact CG-CD2 4.09Å; W407-F426 HydrophobicContact CH2-CB 4.34Å; W407-F426 HydrophobicContact CH2-CD2 4.12Å; W407-F426 HydrophobicContact CH2-CG 4.48Å; W407-F426 AromaticContact CZ2-CD2 3.76Å; W407-F426 HydrophobicContact CZ2-CD2 3.76Å; W407-F426 HydrophobicContact CZ2-CE2 4.19Å; W407-F426 HydrophobicContact CZ2-CG 4.5Å; W407-F426 HydrophobicContact CZ3-CB 3.97Å; W407-F426 HydrophobicContact CZ3-CD2 4.21Å; W407-F426 HydrophobicContact CZ3-CG 4.49Å; W407-F426 AromaticContact NE1-CD2 3.77Å; W407-F426 AromaticContact NE1-CE2 3.71Å; W407-I431 HydrophobicContact CH2-CD1 3.88Å; W407-I431 HydrophobicContact CZ3-CD1 3.56Å; W407-I431 HydrophobicContact CZ3-CG1 4.41Å; W407-F551 HydrophobicContact CD2-CB 3.96Å; W407-F551 AromaticContact CD2-CD1 3.9Å; W407-F551 HydrophobicContact CD2-CD1 3.9Å; W407-F551 HydrophobicContact CD2-CG 4.38Å; W407-F551 AromaticContact CE3-CD1 3.72Å; W407-F551 HydrophobicContact CE3-CD1 3.72Å; W407-F551 HydrophobicContact CE3-CE1 4.46Å; W407-F551 HydrophobicContact CG-CB 4.04Å; W407-F551 HydrophobicContact CG-CD1 4.47Å; W407-F551 HydrophobicContact CH2-CD1 4.36Å; W407-F551 HydrophobicContact CZ2-CB 4.36Å; W407-F551 AromaticContact CZ3-CD1 3.97Å; W407-F551 HydrophobicContact CZ3-CD1 3.97Å; W407-Y552 WeakPolarHBondContact CZ2-O 3.24Å; W407-Y552 PolarHBondContact NE1-O 2.88Å; W407-G555 VanDerWaalsContact CH2-C 3.49Å; W407-G555 VanDerWaalsContact CH2-O 3.29Å; W407-G555 WeakPolarHBondContact CH2-O 3.42Å; W407-G555 VanDerWaalsContact CZ2-CA 3.41Å; W407-S556 VanDerWaalsContact CZ2-O 3.3Å; W407-S556 WeakPolarHBondContact CZ2-O 3.18Å; W407-V557 HydrophobicContact CH2-CB 4.19Å
408	S	98.6	Very high	97.4	Very high	24 Å²	24	22.2 Å²	22.2	17%	0.168	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	131	167.6	159.8	0	0	0	0	109	H401 V402 K425	H401-S408 PolarHBondContact NE2-OG 3.46Å; V402-S408 WeakPolarHBondContact O-CA 3.43Å; S408-K425 PolarHBondContact N-O 3.45Å; S408-K425 PolarHBondContact O-N 3.33Å
409	F	98.8	Very high	97.4	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	153.7	174.5	61	-88	0	0	0	111.6	H401 V402 F411 V421 V424 L532 F551	H401-F409 PolarHBondContact CD2-O 3.21Å; H401-F409 VanDerWaalsContact CD2-O 3.24Å; V402-F409 HydrophobicContact CB-CD1 4.25Å; V402-F409 HydrophobicContact CB-CD2 4.27Å; V402-F409 HydrophobicContact CB-CE1 3.78Å; V402-F409 HydrophobicContact CB-CE2 3.81Å; V402-F409 HydrophobicContact CB-CG 4.48Å; V402-F409 HydrophobicContact CB-CZ 3.54Å; V402-F409 HydrophobicContact CG1-CE1 3.76Å; V402-F409 HydrophobicContact CG1-CE2 4.4Å; V402-F409 HydrophobicContact CG1-CZ 3.65Å; V402-F409 HydrophobicContact CG2-CD2 4.45Å; V402-F409 HydrophobicContact CG2-CE2 3.77Å; V402-F409 HydrophobicContact CG2-CZ 3.83Å; V402-F409 PolarHBondContact N-O 2.73Å; V402-F409 PolarHBondContact O-N 2.84Å; V402-F409 VanDerWaalsContact O-N 3.1Å; F409-F411 HydrophobicContact CE2-CB 4.43Å; F409-V421 HydrophobicContact CD2-CB 4.1Å; F409-V421 HydrophobicContact CD2-CG1 3.64Å; F409-V421 HydrophobicContact CE2-CG1 3.87Å; F409-V424 HydrophobicContact CB-CB 4.41Å; F409-V424 HydrophobicContact CB-CG1 4.47Å; F409-V424 HydrophobicContact CB-CG2 4.08Å; F409-L532 HydrophobicContact CE1-CD2 3.77Å; F409-L532 HydrophobicContact CZ-CD2 3.81Å; F409-F551 HydrophobicContact CD1-CD1 4.24Å; F409-F551 AromaticContact CD1-CE1 3.81Å; F409-F551 HydrophobicContact CD1-CE1 3.81Å; F409-F551 HydrophobicContact CD1-CE2 4.13Å; F409-F551 AromaticContact CD1-CZ 3.74Å; F409-F551 HydrophobicContact CD1-CZ 3.74Å; F409-F551 HydrophobicContact CD2-CZ 4.1Å; F409-F551 HydrophobicContact CE1-CD1 4.21Å; F409-F551 AromaticContact CE1-CD2 3.75Å; F409-F551 HydrophobicContact CE1-CD2 3.75Å; F409-F551 AromaticContact CE1-CE1 3.98Å; F409-F551 HydrophobicContact CE1-CE1 3.98Å; F409-F551 AromaticContact CE1-CE2 3.51Å; F409-F551 HydrophobicContact CE1-CE2 3.51Å; F409-F551 HydrophobicContact CE1-CG 4.09Å; F409-F551 AromaticContact CE1-CZ 3.63Å; F409-F551 HydrophobicContact CE1-CZ 3.63Å; F409-F551 AromaticContact CE2-CE2 3.97Å; F409-F551 HydrophobicContact CE2-CE2 3.97Å; F409-F551 AromaticContact CE2-CZ 3.99Å; F409-F551 HydrophobicContact CE2-CZ 3.99Å; F409-F551 HydrophobicContact CG-CE1 4.24Å; F409-F551 AromaticContact CG-CZ 3.98Å; F409-F551 HydrophobicContact CG-CZ 3.98Å; F409-F551 AromaticContact CZ-CD2 3.95Å; F409-F551 HydrophobicContact CZ-CD2 3.95Å; F409-F551 AromaticContact CZ-CE2 3.41Å; F409-F551 HydrophobicContact CZ-CE2 3.41Å; F409-F551 VanDerWaalsContact CZ-CE2 3.41Å; F409-F551 AromaticContact CZ-CZ 3.75Å; F409-F551 HydrophobicContact CZ-CZ 3.75Å
410	A	98.8	Very high	97.5	Very high	2 Å²	2	13.8 Å²	13.8	2%	0.017	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	151.9	166.5	0	0	0	0	0	109.9	F139 N400 V421 F422	F139-A410 HydrophobicContact CB-CB 4.37Å; F139-A410 HydrophobicContact CD2-CB 3.96Å; N400-A410 CarbonylContact O-C 3.56Å; N400-A410 WeakPolarHBondContact O-CA 3.32Å; A410-V421 CarbonylContact O-C 3.48Å; A410-V421 WeakPolarHBondContact O-CA 3.27Å; A410-V421 WeakPolarHBondContact O-CB 3.36Å; A410-F422 HydrophobicContact CB-CB 4.27Å; A410-F422 PolarHBondContact N-O 2.94Å; A410-F422 PolarHBondContact O-N 2.98Å
411	F	98.6	Very high	97.6	Very high	10 Å²	10	13.4 Å²	13.4	4%	0.044	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	166.7	175.4	70.7	-91.9	0	0	0	112.7	I397 N400 V402 F409 R420 V421 V483 I501 I503 F534	I397-F411 HydrophobicContact CG2-CE1 4.09Å; I397-F411 HydrophobicContact CG2-CZ 4.48Å; N400-F411 VanDerWaalsContact C-CE1 3.48Å; N400-F411 HydrophobicContact CB-CE1 4.43Å; N400-F411 WeakPolarHBondContact CB-O 3.45Å; N400-F411 PolarHBondContact ND2-O 2.94Å; N400-F411 WeakPolarHBondContact O-CD1 3.34Å; N400-F411 PolarHBondContact O-N 2.94Å; V402-F411 HydrophobicContact CG2-CD1 3.7Å; V402-F411 HydrophobicContact CG2-CE1 3.84Å; F409-F411 HydrophobicContact CE2-CB 4.43Å; F411-R420 WeakPolarHBondContact CA-O 3.03Å; F411-V421 HydrophobicContact CB-CG1 4.04Å; F411-V483 HydrophobicContact CE2-CG1 4.32Å; F411-V483 HydrophobicContact CZ-CG1 4.27Å; F411-V483 HydrophobicContact CZ-CG2 4.42Å; F411-I501 HydrophobicContact CD2-CD1 4.29Å; F411-I501 HydrophobicContact CE2-CD1 4.09Å; F411-I503 HydrophobicContact CD1-CD1 4.42Å; F411-I503 HydrophobicContact CE1-CD1 4Å; F411-I503 HydrophobicContact CZ-CD1 4.25Å; F411-F534 HydrophobicContact CB-CD1 4.5Å; F411-F534 HydrophobicContact CB-CE1 3.82Å; F411-F534 HydrophobicContact CB-CE2 4.09Å; F411-F534 HydrophobicContact CB-CZ 3.61Å; F411-F534 AromaticContact CD2-CE2 3.72Å; F411-F534 HydrophobicContact CD2-CE2 3.72Å; F411-F534 AromaticContact CD2-CZ 3.75Å; F411-F534 HydrophobicContact CD2-CZ 3.75Å; F411-F534 HydrophobicContact CE2-CE2 4.37Å; F411-F534 AromaticContact CG-CE2 3.95Å; F411-F534 HydrophobicContact CG-CE2 3.95Å; F411-F534 AromaticContact CG-CZ 3.92Å; F411-F534 HydrophobicContact CG-CZ 3.92Å
412	G	97.6	Very high	97.6	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.4	177.5	169.1	0	0	0	0	0	111.7	D141 R420	D141-G412 VanDerWaalsContact OD2-CA 3.28Å; D141-G412 WeakPolarHBondContact OD2-CA 3.48Å; G412-R420 PolarHBondContact N-O 3.04Å; G412-R420 VanDerWaalsContact O-CG 3.31Å; G412-R420 WeakPolarHBondContact O-CG 3.32Å; G412-R420 PolarHBondContact O-N 3.22Å; G412-R420 VanDerWaalsContact O-N 3.07Å
413	L	97.6	Very high	97.6	Very high	7 Å²	7	13.5 Å²	13.5	4%	0.037	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	93.8	-178.5	-174	76.1	0	0	0	109.5	D141 S415 G418 M419 A467 T485 I501 T536	D141-L413 PolarHBondContact OD1-N 3.42Å; D141-L413 PolarHBondContact OD2-N 3.26Å; L413-S415 PolarHBondContact O-N 3.05Å; L413-G418 WeakPolarHBondContact CA-O 3.39Å; L413-M419 HydrophobicContact CD1-CB 4.31Å; L413-A467 HydrophobicContact CD2-CB 3.76Å; L413-T485 HydrophobicContact CB-CG2 4.4Å; L413-T485 HydrophobicContact CD2-CG2 3.82Å; L413-I501 HydrophobicContact CB-CD1 4.24Å; L413-I501 HydrophobicContact CD2-CD1 4.46Å; L413-T536 HydrophobicContact CD1-CG2 3.92Å
414	S	96.8	Very high	97.6	Very high	7 Å²	7	13 Å²	13	5%	0.049	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	137.6	175.1	171.9	0	0	0	0	110	D179 L416 G418 G464	D179-S414 PolarHBondContact OD2-OG 2.79Å; S414-L416 PolarHBondContact O-N 2.81Å; S414-L416 PolarHBondContact OG-N 3.18Å; S414-G418 PolarHBondContact N-O 2.86Å; S414-G418 VanDerWaalsContact O-CA 3.32Å; S414-G418 WeakPolarHBondContact O-CA 3.09Å; S414-G418 PolarHBondContact O-N 3.1Å; S414-G464 WeakPolarHBondContact O-CA 3.4Å
415	S	95.3	Very high	97.6	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-22.4	175.7	-66.6	0	0	0	0	112.7	D179 L413 G462 G464 R465 R487	D179-S415 PolarHBondContact OD2-N 3.32Å; L413-S415 PolarHBondContact O-N 3.05Å; S415-G462 WeakPolarHBondContact O-CA 3.32Å; S415-G464 CarbonylContact O-C 3.5Å; S415-G464 PolarHBondContact O-N 3.34Å; S415-R465 PolarHBondContact O-N 3.41Å; S415-R487 WeakPolarHBondContact OG-CB 3.31Å; S415-R487 WeakPolarHBondContact OG-CG 3.39Å
416	L	94.5	Very high	97.7	Very high	59 Å²	59	14.1 Å²	14.1	31%	0.309	7%	0.074	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-60.2	178.6	-69.1	179.9	0	0	0	112.7	L177 S414 G462 I463 I489	L177-L416 HydrophobicContact CD2-CD1 3.57Å; L177-L416 HydrophobicContact CD2-CD2 4.18Å; L177-L416 HydrophobicContact CD2-CG 3.85Å; S414-L416 PolarHBondContact O-N 2.81Å; S414-L416 PolarHBondContact OG-N 3.18Å; L416-G462 CarbonylContact O-C 3.57Å; L416-G462 WeakPolarHBondContact O-CA 3.4Å; L416-I463 PolarHBondContact O-N 2.88Å; L416-I489 HydrophobicContact CD2-CD1 3.82Å
417	T	95.8	Very high	97.7	Very high	35 Å²	35	17.1 Å²	17.1	22%	0.215	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.1	-17.1	-170.5	67.4	0	0	0	0	113.8	V437	T417-V437 VanDerWaalsContact CB-O 3.28Å; T417-V437 WeakPolarHBondContact CB-O 3.31Å; T417-V437 WeakPolarHBondContact O-CB 3.32Å; T417-V437 WeakPolarHBondContact O-CG1 3.37Å; T417-V437 PolarHBondContact OG1-O 2.61Å
418	G	96.4	Very high	97.5	Very high	1 Å²	1	20.1 Å²	20.1	1%	0.01	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	92.6	-137.5	178.8	0	0	0	0	0	114.2	L413 S414	L413-G418 WeakPolarHBondContact CA-O 3.39Å; S414-G418 PolarHBondContact N-O 2.86Å; S414-G418 VanDerWaalsContact O-CA 3.32Å; S414-G418 WeakPolarHBondContact O-CA 3.09Å; S414-G418 PolarHBondContact O-N 3.1Å
419	M	97.3	Very high	97.4	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.005	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	137.7	-160.5	-165.6	168.8	69.1	0	0	113.3	L413 V437 F534 T536 W547 F549	L413-M419 HydrophobicContact CD1-CB 4.31Å; M419-V437 HydrophobicContact CB-CG2 4.31Å; M419-V437 PolarHBondContact O-N 3.45Å; M419-F534 HydrophobicContact CE-CD1 4.41Å; M419-F534 HydrophobicContact CG-CD1 3.93Å; M419-F534 HydrophobicContact CG-CE1 3.18Å; M419-F534 HydrophobicContact CG-CZ 3.64Å; M419-F534 HydrophobicContact SD-CD1 3.59Å; M419-F534 VanDerWaalsContact SD-CD1 3.59Å; M419-F534 HydrophobicContact SD-CE1 3.44Å; M419-F534 WeakPolarHBondContact SD-CE1 3.33Å; M419-F534 HydrophobicContact SD-CE2 4.46Å; M419-F534 HydrophobicContact SD-CG 4.19Å; M419-F534 HydrophobicContact SD-CZ 3.9Å; M419-T536 HydrophobicContact CB-CG2 3.93Å; M419-T536 HydrophobicContact CG-CG2 4.3Å; M419-T536 HydrophobicContact SD-CG2 3.9Å; M419-W547 HydrophobicContact CE-CB 3.74Å; M419-W547 WeakPolarHBondContact CE-O 3.5Å; M419-W547 HydrophobicContact SD-CB 4.38Å; M419-F549 HydrophobicContact CB-CE2 4.5Å; M419-F549 HydrophobicContact CE-CB 4.29Å; M419-F549 HydrophobicContact CE-CD1 3.74Å; M419-F549 HydrophobicContact CE-CD2 3.72Å; M419-F549 HydrophobicContact CE-CE1 3.91Å; M419-F549 HydrophobicContact CE-CE2 3.9Å; M419-F549 HydrophobicContact CE-CG 3.64Å; M419-F549 HydrophobicContact CE-CZ 3.99Å; M419-F549 HydrophobicContact CG-CD2 4.25Å; M419-F549 HydrophobicContact CG-CE2 3.97Å; M419-F549 HydrophobicContact SD-CD2 4.45Å
420	R	98.6	Very high	97.3	Very high	13 Å²	13	24.6 Å²	24.6	5%	0.049	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	144.9	-178.4	54.8	-169.3	-170.2	-176.3	-6.9	112.3	D141 F411 G412 F422 I435	D141-R420 IonicContact OD1-CZ 3.94Å; D141-R420 IonicContact OD1-NE 3.18Å; D141-R420 IonicContact OD1-NH2 2.65Å; D141-R420 PolarHBondContact OD1-NH2 2.59Å; F411-R420 WeakPolarHBondContact CA-O 3.03Å; G412-R420 PolarHBondContact N-O 3.04Å; G412-R420 VanDerWaalsContact O-CG 3.31Å; G412-R420 WeakPolarHBondContact O-CG 3.32Å; G412-R420 PolarHBondContact O-N 3.22Å; G412-R420 VanDerWaalsContact O-N 3.07Å; R420-F422 HydrophobicContact CB-CE2 4.01Å; R420-F422 HydrophobicContact CB-CZ 4.12Å; R420-F422 HydrophobicContact CG-CE2 3.6Å; R420-F422 HydrophobicContact CG-CZ 3.95Å; R420-I435 CarbonylContact C-O 3.49Å; R420-I435 WeakPolarHBondContact CA-O 3.49Å
421	V	98.9	Very high	97.3	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	146.6	170.8	-69.1	0	0	0	0	110.9	F409 A410 F411 V424 E434 I435 F534 F549 F551	F409-V421 HydrophobicContact CD2-CB 4.1Å; F409-V421 HydrophobicContact CD2-CG1 3.64Å; F409-V421 HydrophobicContact CE2-CG1 3.87Å; A410-V421 CarbonylContact O-C 3.48Å; A410-V421 WeakPolarHBondContact O-CA 3.27Å; A410-V421 WeakPolarHBondContact O-CB 3.36Å; F411-V421 HydrophobicContact CB-CG1 4.04Å; V421-V424 HydrophobicContact CB-CG2 4.2Å; V421-V424 HydrophobicContact CG2-CG2 3.82Å; V421-E434 WeakPolarHBondContact O-CA 3.12Å; V421-I435 HydrophobicContact CG2-CB 3.77Å; V421-I435 HydrophobicContact CG2-CD1 4.48Å; V421-I435 HydrophobicContact CG2-CG1 4.38Å; V421-I435 PolarHBondContact N-O 3.4Å; V421-I435 PolarHBondContact O-N 2.83Å; V421-F534 HydrophobicContact CG1-CD1 3.73Å; V421-F534 HydrophobicContact CG1-CE1 3.74Å; V421-F549 HydrophobicContact CB-CD2 4.22Å; V421-F549 HydrophobicContact CB-CE2 4.46Å; V421-F549 HydrophobicContact CG1-CD2 3.65Å; V421-F549 HydrophobicContact CG1-CE2 4.17Å; V421-F549 HydrophobicContact CG2-CD2 3.64Å; V421-F549 HydrophobicContact CG2-CE2 3.87Å; V421-F551 HydrophobicContact CG1-CZ 4.34Å; V421-F551 HydrophobicContact CG2-CZ 4.38Å
422	F	98.9	Very high	97.3	Very high	1 Å²	1	24.3 Å²	24.3	0%	0.004	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	157.7	-172.7	-57.1	-86.2	0	0	0	112.2	F139 L182 A410 R420 V424 Y433 E434	F139-F422 HydrophobicContact CB-CB 4.25Å; F139-F422 HydrophobicContact CB-CD2 3.56Å; F139-F422 HydrophobicContact CB-CE2 3.99Å; F139-F422 HydrophobicContact CB-CG 4Å; F139-F422 HydrophobicContact CD1-CB 3.96Å; F139-F422 AromaticContact CD1-CD1 3.76Å; F139-F422 HydrophobicContact CD1-CD1 3.76Å; F139-F422 HydrophobicContact CD1-CD2 4Å; F139-F422 HydrophobicContact CD1-CE1 4.15Å; F139-F422 HydrophobicContact CD1-CE2 4.35Å; F139-F422 AromaticContact CD1-CG 3.65Å; F139-F422 HydrophobicContact CD1-CG 3.65Å; F139-F422 HydrophobicContact CD1-CZ 4.4Å; F139-F422 HydrophobicContact CD2-CB 3.57Å; F139-F422 HydrophobicContact CD2-CD2 4.48Å; F139-F422 HydrophobicContact CD2-CG 4.12Å; F139-F422 HydrophobicContact CE1-CB 4.16Å; F139-F422 AromaticContact CE1-CD1 3.92Å; F139-F422 HydrophobicContact CE1-CD1 3.92Å; F139-F422 HydrophobicContact CE1-CE1 4.49Å; F139-F422 HydrophobicContact CE1-CG 4.1Å; F139-F422 HydrophobicContact CE2-CB 3.77Å; F139-F422 HydrophobicContact CG-CB 3.66Å; F139-F422 HydrophobicContact CG-CD1 4.25Å; F139-F422 AromaticContact CG-CD2 3.78Å; F139-F422 HydrophobicContact CG-CD2 3.78Å; F139-F422 HydrophobicContact CG-CE2 4.4Å; F139-F422 AromaticContact CG-CG 3.66Å; F139-F422 HydrophobicContact CG-CG 3.66Å; F139-F422 HydrophobicContact CZ-CB 4.06Å; F139-F422 HydrophobicContact CZ-CG 4.49Å; L182-F422 HydrophobicContact CD1-CE1 4.04Å; L182-F422 HydrophobicContact CD1-CZ 3.78Å; L182-F422 HydrophobicContact CD2-CE1 4.21Å; L182-F422 HydrophobicContact CD2-CE2 4.32Å; L182-F422 HydrophobicContact CD2-CZ 3.7Å; L182-F422 HydrophobicContact CG-CZ 4.43Å; A410-F422 HydrophobicContact CB-CB 4.27Å; A410-F422 PolarHBondContact N-O 2.94Å; A410-F422 PolarHBondContact O-N 2.98Å; R420-F422 HydrophobicContact CB-CE2 4.01Å; R420-F422 HydrophobicContact CB-CZ 4.12Å; R420-F422 HydrophobicContact CG-CE2 3.6Å; R420-F422 HydrophobicContact CG-CZ 3.95Å; F422-V424 PolarHBondContact O-N 2.79Å; F422-V424 VanDerWaalsContact O-N 3.17Å; F422-Y433 CarbonylContact C-O 3.47Å; F422-Y433 WeakPolarHBondContact CA-O 3.28Å; F422-E434 HydrophobicContact CD1-CB 4.02Å; F422-E434 HydrophobicContact CD1-CG 3.94Å; F422-E434 HydrophobicContact CE1-CB 4.2Å; F422-E434 HydrophobicContact CE1-CG 3.68Å
423	D	98.6	Very high	97.3	Very high	10 Å²	10	24.8 Å²	24.8	5%	0.053	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	48.1	43.8	178.4	-168.3	40.4	0	0	0	112	F139 L192 K425 R430 Y433	F139-D423 HydrophobicContact CE2-CB 4.25Å; L192-D423 HydrophobicContact CD1-CB 4.12Å; D423-K425 PolarHBondContact O-N 2.81Å; D423-K425 WeakPolarHBondContact OD1-CE 3.27Å; D423-K425 IonicContact OD1-NZ 2.9Å; D423-K425 PolarHBondContact OD1-NZ 3.02Å; D423-K425 WeakPolarHBondContact OD2-CE 3.32Å; D423-K425 IonicContact OD2-NZ 3.68Å; D423-K425 PolarHBondContact OD2-NZ 3.01Å; D423-R430 IonicContact OD1-CZ 3.93Å; D423-R430 IonicContact OD1-NE 2.78Å; D423-R430 PolarHBondContact OD1-NE 3.18Å; D423-R430 IonicContact OD1-NH2 3.86Å; D423-R430 PolarHBondContact OD1-NH2 3.34Å; D423-Y433 PolarHBondContact N-O 3.02Å
424	V	98.8	Very high	97.4	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	116.8	-175.8	-174.5	0	0	0	0	108.4	W407 F409 V421 F422 I431 A432 I435 F551	W407-V424 HydrophobicContact CE3-CG1 4.13Å; W407-V424 HydrophobicContact CZ3-CG1 3.87Å; F409-V424 HydrophobicContact CB-CB 4.41Å; F409-V424 HydrophobicContact CB-CG1 4.47Å; F409-V424 HydrophobicContact CB-CG2 4.08Å; V421-V424 HydrophobicContact CB-CG2 4.2Å; V421-V424 HydrophobicContact CG2-CG2 3.82Å; F422-V424 PolarHBondContact O-N 2.79Å; F422-V424 VanDerWaalsContact O-N 3.17Å; V424-I431 HydrophobicContact CB-CG1 4.07Å; V424-I431 HydrophobicContact CG1-CD1 3.92Å; V424-I431 HydrophobicContact CG1-CG1 3.76Å; V424-I431 WeakPolarHBondContact O-CG1 3.46Å; V424-I431 PolarHBondContact O-N 2.84Å; V424-A432 HydrophobicContact CB-CB 4.16Å; V424-A432 HydrophobicContact CG2-CB 4.39Å; V424-A432 PolarHBondContact N-O 2.87Å; V424-A432 PolarHBondContact O-N 2.89Å; V424-I435 HydrophobicContact CG2-CD1 4.48Å; V424-F551 HydrophobicContact CG1-CE1 3.9Å
425	K	98.4	Very high	97.5	Very high	30 Å²	30	25.1 Å²	25.1	13%	0.13	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	140.9	-177	-73.9	163.1	171.8	159.6	0	110.8	W407 S408 D423 E429 R430	W407-K425 WeakPolarHBondContact CA-O 3.38Å; S408-K425 PolarHBondContact N-O 3.45Å; S408-K425 PolarHBondContact O-N 3.33Å; D423-K425 PolarHBondContact O-N 2.81Å; D423-K425 WeakPolarHBondContact OD1-CE 3.27Å; D423-K425 IonicContact OD1-NZ 2.9Å; D423-K425 PolarHBondContact OD1-NZ 3.02Å; D423-K425 WeakPolarHBondContact OD2-CE 3.32Å; D423-K425 IonicContact OD2-NZ 3.68Å; D423-K425 PolarHBondContact OD2-NZ 3.01Å; K425-E429 CarbonylContact C-O 3.56Å; K425-E429 WeakPolarHBondContact CA-O 3.32Å; K425-R430 HydrophobicContact CG-CB 4.11Å
426	F	98.2	Very high	97.7	Very high	44 Å²	44	25.2 Å²	25.2	19%	0.193	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	127	168.9	-172.6	-103.9	0	0	0	109.3	D406 W407 G428 E429 I431	D406-F426 HydrophobicContact CB-CD2 4.05Å; D406-F426 HydrophobicContact CB-CE2 3.7Å; D406-F426 HydrophobicContact CB-CZ 4.06Å; D406-F426 CarbonylContact O-C 3.04Å; D406-F426 WeakPolarHBondContact O-CA 3.41Å; W407-F426 AromaticContact CD2-CD2 3.61Å; W407-F426 HydrophobicContact CD2-CD2 3.61Å; W407-F426 HydrophobicContact CD2-CE2 4.32Å; W407-F426 AromaticContact CE2-CD2 3.45Å; W407-F426 VanDerWaalsContact CE2-CD2 3.45Å; W407-F426 AromaticContact CE2-CE2 3.83Å; W407-F426 HydrophobicContact CE3-CB 4.11Å; W407-F426 AromaticContact CE3-CD2 3.98Å; W407-F426 HydrophobicContact CE3-CD2 3.98Å; W407-F426 HydrophobicContact CG-CD2 4.09Å; W407-F426 HydrophobicContact CH2-CB 4.34Å; W407-F426 HydrophobicContact CH2-CD2 4.12Å; W407-F426 HydrophobicContact CH2-CG 4.48Å; W407-F426 AromaticContact CZ2-CD2 3.76Å; W407-F426 HydrophobicContact CZ2-CD2 3.76Å; W407-F426 HydrophobicContact CZ2-CE2 4.19Å; W407-F426 HydrophobicContact CZ2-CG 4.5Å; W407-F426 HydrophobicContact CZ3-CB 3.97Å; W407-F426 HydrophobicContact CZ3-CD2 4.21Å; W407-F426 HydrophobicContact CZ3-CG 4.49Å; W407-F426 AromaticContact NE1-CD2 3.77Å; W407-F426 AromaticContact NE1-CE2 3.71Å; F426-G428 PolarHBondContact O-N 3.12Å; F426-E429 PolarHBondContact N-O 2.86Å; F426-E429 PolarHBondContact O-N 3.11Å; F426-E429 VanDerWaalsContact O-N 3.13Å; F426-I431 HydrophobicContact CB-CG2 4.1Å
427	N	96.2	Very high	97.8	Very high	112 Å²	112	22.4 Å²	22.4	60%	0.599	13%	0.126	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.9	41.9	-175.3	-167.5	39.5	0	0	0	112.7	D406 E429	D406-N427 PolarHBondContact O-N 2.78Å; N427-E429 PolarHBondContact O-N 3.23Å
428	G	95.4	Very high	98	Very high	67 Å²	67	23.8 Å²	23.8	69%	0.691	13%	0.13	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.1	-7.2	-180	0	0	0	0	0	115.7	F426	F426-G428 PolarHBondContact O-N 3.12Å
429	E	96.4	Very high	98	Very high	86 Å²	86	24.3 Å²	24.3	40%	0.402	13%	0.133	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	134	177.2	-66.1	-170.6	-154.2	0	0	111.3	K425 F426 N427 R673	K425-E429 CarbonylContact C-O 3.56Å; K425-E429 WeakPolarHBondContact CA-O 3.32Å; F426-E429 PolarHBondContact N-O 2.86Å; F426-E429 PolarHBondContact O-N 3.11Å; F426-E429 VanDerWaalsContact O-N 3.13Å; N427-E429 PolarHBondContact O-N 3.23Å; E429-R673 IonicContact OE1-NH1 3.67Å; E429-R673 IonicContact OE1-NH2 3.59Å; E429-R673 IonicContact OE2-CZ 2.72Å; E429-R673 IonicContact OE2-NH1 2.7Å; E429-R673 PolarHBondContact OE2-NH1 2.91Å; E429-R673 IonicContact OE2-NH2 3.78Å; E429-R673 PolarHBondContact OE2-NH2 3.19Å
430	R	97.4	Very high	98	Very high	32 Å²	32	24.3 Å²	24.3	12%	0.121	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	134.7	175.8	-173.8	-179.5	-64.2	115.7	1.2	110.1	M189 D193 D423 K425	M189-R430 VanDerWaalsContact SD-CZ 3.53Å; D193-R430 IonicContact OD1-CZ 3.51Å; D193-R430 IonicContact OD1-NH1 3.88Å; D193-R430 PolarHBondContact OD1-NH1 2.57Å; D193-R430 IonicContact OD1-NH2 3Å; D193-R430 PolarHBondContact OD1-NH2 2.83Å; D193-R430 IonicContact OD2-NH1 3.09Å; D193-R430 PolarHBondContact OD2-NH1 2.71Å; D423-R430 IonicContact OD1-CZ 3.93Å; D423-R430 IonicContact OD1-NE 2.78Å; D423-R430 PolarHBondContact OD1-NE 3.18Å; D423-R430 IonicContact OD1-NH2 3.86Å; D423-R430 PolarHBondContact OD1-NH2 3.34Å; K425-R430 HydrophobicContact CG-CB 4.11Å
431	I	97.5	Very high	97.8	Very high	6 Å²	6	23.8 Å²	23.8	3%	0.031	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	-36.9	177.2	70.3	157.1	0	0	0	111	W407 V424 F426 V557 L602 D603 Y675	W407-I431 HydrophobicContact CH2-CD1 3.88Å; W407-I431 HydrophobicContact CZ3-CD1 3.56Å; W407-I431 HydrophobicContact CZ3-CG1 4.41Å; V424-I431 HydrophobicContact CB-CG1 4.07Å; V424-I431 HydrophobicContact CG1-CD1 3.92Å; V424-I431 HydrophobicContact CG1-CG1 3.76Å; V424-I431 WeakPolarHBondContact O-CG1 3.46Å; V424-I431 PolarHBondContact O-N 2.84Å; F426-I431 HydrophobicContact CB-CG2 4.1Å; I431-V557 HydrophobicContact CD1-CG1 4.15Å; I431-L602 WeakPolarHBondContact O-CD2 3.48Å; I431-D603 PolarHBondContact O-N 3.22Å; I431-D603 VanDerWaalsContact O-N 3.09Å; I431-Y675 HydrophobicContact CB-CE1 4.38Å; I431-Y675 HydrophobicContact CB-CE2 3.95Å; I431-Y675 HydrophobicContact CD1-CE1 3.9Å; I431-Y675 HydrophobicContact CG2-CE1 4.42Å; I431-Y675 HydrophobicContact CG2-CE2 3.69Å; I431-Y675 WeakPolarHBondContact CG2-OH 3.2Å
432	A	98.6	Very high	97.7	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	136.1	179.7	0	0	0	0	0	109.4	V424 I435 D601 L602	V424-A432 HydrophobicContact CB-CB 4.16Å; V424-A432 HydrophobicContact CG2-CB 4.39Å; V424-A432 PolarHBondContact N-O 2.87Å; V424-A432 PolarHBondContact O-N 2.89Å; A432-I435 HydrophobicContact CB-CD1 4.11Å; A432-I435 HydrophobicContact CB-CG1 3.93Å; A432-D601 CarbonylContact C-O 3.48Å; A432-D601 VanDerWaalsContact CA-O 3.29Å; A432-D601 WeakPolarHBondContact CA-O 3.12Å; A432-L602 HydrophobicContact CB-CD2 3.88Å
433	Y	98.8	Very high	97.5	Very high	9 Å²	9	24.8 Å²	24.8	4%	0.035	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	-41.4	168.8	174.3	-99.5	0	0	0	110.9	F139 K185 A188 M189 F422 D423 D601	F139-Y433 HydrophobicContact CE1-CE2 4.3Å; F139-Y433 AromaticContact CE1-CZ 3.99Å; F139-Y433 WeakPolarHBondContact CE1-OH 3.47Å; F139-Y433 AromaticContact CZ-CE2 3.92Å; F139-Y433 HydrophobicContact CZ-CE2 3.92Å; K185-Y433 HydrophobicContact CB-CE1 3.97Å; K185-Y433 HydrophobicContact CB-CE2 4.43Å; K185-Y433 HydrophobicContact CD-CD1 3.72Å; K185-Y433 HydrophobicContact CD-CD2 4.32Å; K185-Y433 HydrophobicContact CD-CE1 4.05Å; K185-Y433 HydrophobicContact CD-CG 3.87Å; K185-Y433 HydrophobicContact CG-CD1 3.94Å; K185-Y433 HydrophobicContact CG-CD2 3.98Å; K185-Y433 HydrophobicContact CG-CE1 3.82Å; K185-Y433 HydrophobicContact CG-CE2 3.84Å; K185-Y433 HydrophobicContact CG-CG 4.02Å; A188-Y433 HydrophobicContact CB-CE2 4.2Å; A188-Y433 WeakPolarHBondContact CB-OH 3.41Å; M189-Y433 HydrophobicContact CG-CD2 4.01Å; M189-Y433 HydrophobicContact CG-CE2 4.02Å; M189-Y433 HydrophobicContact SD-CD2 3.62Å; M189-Y433 HydrophobicContact SD-CE2 4.1Å; F422-Y433 CarbonylContact C-O 3.47Å; F422-Y433 WeakPolarHBondContact CA-O 3.28Å; D423-Y433 PolarHBondContact N-O 3.02Å; Y433-D601 VanDerWaalsContact CD1-OD2 3.29Å; Y433-D601 WeakPolarHBondContact CD1-OD2 3.42Å; Y433-D601 PolarHBondContact N-O 2.94Å
434	E	98.8	Very high	97.4	Very high	16 Å²	16	25 Å²	25	8%	0.075	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	135.3	-177.8	-178.3	-177.3	168.5	0	0	111.2	V421 F422 S436 K599 D601	V421-E434 WeakPolarHBondContact O-CA 3.12Å; F422-E434 HydrophobicContact CD1-CB 4.02Å; F422-E434 HydrophobicContact CD1-CG 3.94Å; F422-E434 HydrophobicContact CE1-CB 4.2Å; F422-E434 HydrophobicContact CE1-CG 3.68Å; E434-S436 WeakPolarHBondContact OE1-CB 3.06Å; E434-S436 PolarHBondContact OE1-OG 3.39Å; E434-K599 IonicContact OE1-NZ 3.16Å; E434-K599 WeakPolarHBondContact OE2-CE 3.18Å; E434-K599 IonicContact OE2-NZ 2.74Å; E434-K599 PolarHBondContact OE2-NZ 2.81Å; E434-D601 HydrophobicContact CB-CB 4.12Å; E434-D601 PolarHBondContact O-N 2.91Å
435	I	98.8	Very high	97.3	Very high	6 Å²	6	25.8 Å²	25.8	3%	0.031	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	119.3	161.8	-53	174.3	0	0	0	106.6	R420 V421 V424 A432 F549 V557 K599 V600	R420-I435 CarbonylContact C-O 3.49Å; R420-I435 WeakPolarHBondContact CA-O 3.49Å; V421-I435 HydrophobicContact CG2-CB 3.77Å; V421-I435 HydrophobicContact CG2-CD1 4.48Å; V421-I435 HydrophobicContact CG2-CG1 4.38Å; V421-I435 PolarHBondContact N-O 3.4Å; V421-I435 PolarHBondContact O-N 2.83Å; V424-I435 HydrophobicContact CG2-CD1 4.48Å; A432-I435 HydrophobicContact CB-CD1 4.11Å; A432-I435 HydrophobicContact CB-CG1 3.93Å; I435-F549 HydrophobicContact CG2-CE1 4.07Å; I435-F549 HydrophobicContact CG2-CZ 4.05Å; I435-F549 WeakPolarHBondContact O-CE2 3.14Å; I435-V557 HydrophobicContact CD1-CG1 3.87Å; I435-V557 HydrophobicContact CD1-CG2 4.17Å; I435-K599 WeakPolarHBondContact CA-O 3.16Å; I435-V600 HydrophobicContact CG1-CG1 4.3Å
436	S	98.8	Very high	97.2	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.007	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	145.4	-173	59	0	0	0	0	113.2	E434 Q438 F598 K599	E434-S436 WeakPolarHBondContact OE1-CB 3.06Å; E434-S436 PolarHBondContact OE1-OG 3.39Å; S436-Q438 PolarHBondContact OG-NE2 3.3Å; S436-F598 CarbonylContact O-C 3.52Å; S436-F598 WeakPolarHBondContact O-CA 3.44Å; S436-K599 PolarHBondContact N-O 3.48Å; S436-K599 PolarHBondContact O-N 3.1Å
437	V	98.6	Very high	97.1	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	133.9	166.4	-178.4	0	0	0	0	108.2	T417 M419 I463 W547 F598	T417-V437 VanDerWaalsContact CB-O 3.28Å; T417-V437 WeakPolarHBondContact CB-O 3.31Å; T417-V437 WeakPolarHBondContact O-CB 3.32Å; T417-V437 WeakPolarHBondContact O-CG1 3.37Å; T417-V437 PolarHBondContact OG1-O 2.61Å; M419-V437 HydrophobicContact CB-CG2 4.31Å; M419-V437 PolarHBondContact O-N 3.45Å; V437-I463 HydrophobicContact CG1-CD1 4.26Å; V437-W547 HydrophobicContact CG1-CE3 4.35Å; V437-W547 HydrophobicContact CG1-CH2 3.97Å; V437-W547 HydrophobicContact CG1-CZ2 4.48Å; V437-W547 HydrophobicContact CG1-CZ3 3.89Å; V437-W547 HydrophobicContact CG2-CD2 4.22Å; V437-W547 HydrophobicContact CG2-CE3 3.69Å; V437-W547 HydrophobicContact CG2-CZ3 3.97Å; V437-F598 HydrophobicContact CG2-CD1 4.21Å; V437-F598 HydrophobicContact CG2-CE1 3.78Å
438	Q	98.3	Very high	97.1	Very high	65 Å²	65	19.3 Å²	19.3	30%	0.304	12%	0.115	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	-43.9	176.9	-64.3	-63.8	-64.3	0	0	111.1	S436 N597 K599	S436-Q438 PolarHBondContact OG-NE2 3.3Å; Q438-N597 HydrophobicContact CB-CB 4.02Å; Q438-N597 WeakPolarHBondContact CB-OD1 3.31Å; Q438-N597 PolarHBondContact N-O 3.43Å; Q438-K599 HydrophobicContact CG-CB 3.71Å
439	E	97.8	Very high	97.1	Very high	12 Å²	12	16.4 Å²	16.4	6%	0.056	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158	151.6	-176	-171.2	54.6	-86.9	0	0	112.7	L457 D458 S459 I596 N597 W699	E439-L457 HydrophobicContact CG-CD1 3.51Å; E439-L457 HydrophobicContact CG-CG 4.33Å; E439-L457 WeakPolarHBondContact OE2-CD1 3.47Å; E439-L457 WeakPolarHBondContact OE2-CG 3.32Å; E439-D458 PolarHBondContact OE1-N 2.9Å; E439-S459 WeakPolarHBondContact OE1-CB 3.25Å; E439-S459 PolarHBondContact OE1-N 3.1Å; E439-S459 WeakPolarHBondContact OE2-CB 3.26Å; E439-S459 PolarHBondContact OE2-OG 3.25Å; E439-I596 WeakPolarHBondContact O-CA 3.47Å; E439-N597 HydrophobicContact CB-CB 4.06Å; E439-N597 PolarHBondContact N-O 3.38Å; E439-N597 PolarHBondContact O-N 3.19Å; E439-W699 HydrophobicContact CB-CH2 4.31Å; E439-W699 HydrophobicContact CB-CZ2 3.81Å; E439-W699 HydrophobicContact CG-CH2 4.14Å; E439-W699 HydrophobicContact CG-CZ2 3.43Å; E439-W699 VanDerWaalsContact CG-CZ2 3.43Å
440	A	96.8	Very high	97	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	130.1	160.6	0	0	0	0	0	108.9	D458 I463 Y545 W547 I596	A440-D458 HydrophobicContact CB-CB 4.1Å; A440-D458 VanDerWaalsContact O-CB 3.31Å; A440-D458 WeakPolarHBondContact O-CB 3.18Å; A440-D458 PolarHBondContact O-N 3.16Å; A440-I463 HydrophobicContact CB-CD1 4.14Å; A440-Y545 HydrophobicContact CB-CE2 4.38Å; A440-W547 HydrophobicContact CB-CH2 3.98Å; A440-W547 HydrophobicContact CB-CZ2 4.2Å; A440-I596 HydrophobicContact CB-CD1 3.72Å
441	M	95.1	Very high	96.9	Very high	2 Å²	2	10.9 Å²	10.9	1%	0.01	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	141.6	-178.1	179.4	169.7	-166.4	0	0	111.2	V443 K455 F456 L457 H594 F595 M697 W699	M441-V443 HydrophobicContact CE-CG2 3.88Å; M441-V443 HydrophobicContact CG-CG2 4.41Å; M441-K455 HydrophobicContact CE-CB 3.96Å; M441-F456 WeakPolarHBondContact CA-O 3.47Å; M441-F456 VanDerWaalsContact CG-O 3.25Å; M441-F456 WeakPolarHBondContact CG-O 3.31Å; M441-L457 HydrophobicContact CB-CD1 4.35Å; M441-L457 HydrophobicContact CG-CD1 4.48Å; M441-L457 HydrophobicContact SD-CD1 4.13Å; M441-H594 CarbonylContact O-C 3.49Å; M441-H594 WeakPolarHBondContact O-CA 3.44Å; M441-F595 HydrophobicContact CB-CB 4.4Å; M441-F595 PolarHBondContact N-O 3.28Å; M441-F595 PolarHBondContact O-N 2.85Å; M441-M697 HydrophobicContact CE-CB 4.07Å; M441-M697 HydrophobicContact CE-CE 4.32Å; M441-M697 HydrophobicContact CE-CG 4.16Å; M441-M697 HydrophobicContact CE-SD 3.41Å; M441-M697 WeakPolarHBondContact CE-SD 3.35Å; M441-M697 HydrophobicContact SD-CB 3.33Å; M441-M697 WeakPolarHBondContact SD-CB 3.48Å; M441-M697 HydrophobicContact SD-CE 3.76Å; M441-M697 HydrophobicContact SD-CG 3.96Å; M441-M697 HydrophobicContact SD-SD 3.53Å; M441-W699 HydrophobicContact CB-CH2 3.94Å; M441-W699 HydrophobicContact CB-CZ2 3.94Å; M441-W699 HydrophobicContact SD-CZ2 4.4Å
442	S	95.1	Very high	96.8	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	138	169.8	57.2	0	0	0	0	112.1	Y444 K455 F456 T593	S442-Y444 WeakPolarHBondContact OG-CE2 3.44Å; S442-K455 CarbonylContact O-C 3.04Å; S442-K455 WeakPolarHBondContact O-CA 3.37Å; S442-F456 PolarHBondContact N-O 3.31Å; S442-F456 PolarHBondContact O-N 2.82Å; S442-T593 WeakPolarHBondContact CA-O 3.24Å; S442-T593 WeakPolarHBondContact CB-O 3.32Å
443	V	95.8	Very high	96.5	Very high	23 Å²	23	16.6 Å²	16.6	14%	0.139	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	121.9	-178.3	177.8	0	0	0	0	108.7	M441 K455 H592 T593 L687 M697	M441-V443 HydrophobicContact CE-CG2 3.88Å; M441-V443 HydrophobicContact CG-CG2 4.41Å; V443-K455 HydrophobicContact CG1-CG 4.19Å; V443-K455 HydrophobicContact CG2-CG 4.3Å; V443-H592 CarbonylContact O-C 3.54Å; V443-H592 WeakPolarHBondContact O-CA 3.44Å; V443-H592 WeakPolarHBondContact O-CB 3.45Å; V443-T593 PolarHBondContact N-O 3.18Å; V443-T593 PolarHBondContact O-N 2.8Å; V443-T593 VanDerWaalsContact O-N 3.1Å; V443-L687 HydrophobicContact CG1-CD2 3.8Å; V443-L687 HydrophobicContact CG1-CG 4.3Å; V443-L687 HydrophobicContact CG2-CD1 4.4Å; V443-L687 HydrophobicContact CG2-CG 4.29Å; V443-M697 HydrophobicContact CG2-CE 4.46Å; V443-M697 HydrophobicContact CG2-SD 4.32Å
444	Y	96.8	Very high	96.4	Very high	15 Å²	15	16.2 Å²	16.2	6%	0.059	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	153.5	-172.4	-75.7	-102.2	0	0	0	113.9	S442 M451 T454 F456 Y543 S568 N590 H592	S442-Y444 WeakPolarHBondContact OG-CE2 3.44Å; Y444-M451 HydrophobicContact CD1-CG 4.28Å; Y444-M451 HydrophobicContact CD1-SD 3.47Å; Y444-M451 WeakPolarHBondContact CD1-SD 3.32Å; Y444-M451 HydrophobicContact CD2-SD 4.48Å; Y444-M451 HydrophobicContact CE1-SD 4.02Å; Y444-M451 HydrophobicContact CG-CG 4.48Å; Y444-M451 HydrophobicContact CG-SD 3.71Å; Y444-T454 HydrophobicContact CD2-CG2 3.6Å; Y444-T454 HydrophobicContact CE2-CG2 4.08Å; Y444-T454 HydrophobicContact CG-CG2 4.15Å; Y444-T454 PolarHBondContact N-O 3.29Å; Y444-F456 HydrophobicContact CD2-CD2 4.36Å; Y444-F456 AromaticContact CE2-CD2 3.74Å; Y444-F456 HydrophobicContact CE2-CD2 3.74Å; Y444-F456 AromaticContact CE2-CE2 3.96Å; Y444-F456 HydrophobicContact CE2-CE2 3.96Å; Y444-Y543 WeakPolarHBondContact OH-CE2 3.33Å; Y444-Y543 VanDerWaalsContact OH-CZ 3.22Å; Y444-Y543 PolarHBondContact OH-OH 3.39Å; Y444-S568 VanDerWaalsContact OH-CB 3.24Å; Y444-S568 WeakPolarHBondContact OH-CB 3.49Å; Y444-N590 HydrophobicContact CD1-CB 3.94Å; Y444-H592 HydrophobicContact CD1-CB 3.72Å; Y444-H592 HydrophobicContact CD2-CB 4.08Å; Y444-H592 HydrophobicContact CE1-CB 3.92Å; Y444-H592 AromaticContact CE1-CG 3.81Å; Y444-H592 AromaticContact CE1-ND1 3.69Å; Y444-H592 HydrophobicContact CE2-CB 4.25Å; Y444-H592 HydrophobicContact CG-CB 3.84Å
445	G	96.3	Very high	96.3	Very high	15 Å²	15	17 Å²	17	16%	0.155	9%	0.091	C	C	.	.			trans	-111.3	137.1	166.7	0	0	0	0	0	112.4	N590 I591	G445-N590 PolarHBondContact O-ND2 3.13Å; G445-N590 VanDerWaalsContact O-ND2 3.09Å; G445-I591 PolarHBondContact N-O 3.24Å
446	S	96.4	Very high	96.1	Very high	1 Å²	1	17.4 Å²	17.4	1%	0.007	9%	0.093	C	C	.	.			trans	-165.8	174.5	175	-152.9	0	0	0	0	112.6	T448 I452 S570 N590	S446-T448 PolarHBondContact OG-N 3.22Å; S446-T448 PolarHBondContact OG-OG1 3.44Å; S446-I452 WeakPolarHBondContact O-CD1 3.21Å; S446-I452 WeakPolarHBondContact O-CG1 3.45Å; S446-S570 PolarHBondContact OG-OG 3.09Å; S446-N590 WeakPolarHBondContact CB-ND2 3.2Å; S446-N590 PolarHBondContact OG-ND2 3.19Å
447	V	95.9	Very high	95.9	Very high	46 Å²	46	19.2 Å²	19.2	28%	0.279	10%	0.102	S	C	.	.	S	Bend	trans	-104.9	-12.3	160.9	-50.2	0	0	0	0	113.4	V573 N576 Y579	V447-V573 HydrophobicContact CG2-CG2 3.56Å; V447-N576 WeakPolarHBondContact CG2-OD1 3.21Å; V447-N576 PolarHBondContact N-OD1 2.92Å; V447-Y579 HydrophobicContact CG1-CD2 3.66Å; V447-Y579 HydrophobicContact CG1-CE2 3.37Å
448	T	96.6	Very high	95.8	Very high	4 Å²	4	19.4 Å²	19.4	3%	0.025	10%	0.103	C	C	.	.	S	Bend	trans	-77	139.6	176.3	61.3	0	0	0	0	109.8	L339 S446 G450 M451 I452 S570 V573	L339-T448 HydrophobicContact CD2-CG2 4.3Å; S446-T448 PolarHBondContact OG-N 3.22Å; S446-T448 PolarHBondContact OG-OG1 3.44Å; T448-G450 VanDerWaalsContact C-N 3.35Å; T448-G450 PolarHBondContact O-N 3.4Å; T448-M451 PolarHBondContact O-N 2.87Å; T448-I452 WeakPolarHBondContact O-CB 3.38Å; T448-I452 WeakPolarHBondContact O-CG2 3.25Å; T448-I452 PolarHBondContact O-N 2.98Å; T448-S570 WeakPolarHBondContact OG1-CB 3.42Å; T448-V573 HydrophobicContact CG2-CG2 4.05Å
449	P	95.3	Very high	95.6	Very high	6 Å²	6	17.6 Å²	17.6	4%	0.039	10%	0.098	C	C	.	.	H	α-helix	trans	-67.4	-30.6	-166.5	28.5	-36.2	0	0	0	113.9	W302 E320 L339 Y344 I452	W302-P449 HydrophobicContact CD2-CB 3.95Å; W302-P449 HydrophobicContact CD2-CG 4Å; W302-P449 VanDerWaalsContact CE2-CB 3.49Å; W302-P449 HydrophobicContact CE3-CB 4.34Å; W302-P449 HydrophobicContact CE3-CG 3.88Å; W302-P449 HydrophobicContact CH2-CB 3.93Å; W302-P449 HydrophobicContact CH2-CG 3.54Å; W302-P449 HydrophobicContact CZ2-CB 3.48Å; W302-P449 VanDerWaalsContact CZ2-CB 3.48Å; W302-P449 HydrophobicContact CZ2-CG 3.68Å; W302-P449 HydrophobicContact CZ3-CB 4.34Å; W302-P449 HydrophobicContact CZ3-CG 3.65Å; E320-P449 WeakPolarHBondContact OE2-CD 3.25Å; E320-P449 WeakPolarHBondContact OE2-CG 3.38Å; L339-P449 HydrophobicContact CB-CG 4.15Å; L339-P449 HydrophobicContact CD1-CG 4.29Å; L339-P449 HydrophobicContact CD2-CG 4.22Å; L339-P449 HydrophobicContact CG-CG 4.44Å; Y344-P449 HydrophobicContact CE1-CB 3.95Å; Y344-P449 HydrophobicContact CE1-CG 3.77Å; Y344-P449 WeakPolarHBondContact OH-CB 3.42Å; P449-I452 WeakPolarHBondContact O-CG2 3.33Å
450	G	93.4	Very high	95.3	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-65.4	-58.2	170.8	0	0	0	0	0	111.7	W302 E320 T448 I452 L453 T454	W302-G450 VanDerWaalsContact CB-CA 3.48Å; E320-G450 WeakPolarHBondContact OE2-CA 3.44Å; E320-G450 PolarHBondContact OE2-N 2.72Å; T448-G450 VanDerWaalsContact C-N 3.35Å; T448-G450 PolarHBondContact O-N 3.4Å; G450-I452 PolarHBondContact O-N 2.84Å; G450-L453 PolarHBondContact O-N 3.11Å; G450-T454 PolarHBondContact O-N 2.9Å; G450-T454 PolarHBondContact O-OG1 3.27Å
451	M	95.4	Very high	95.1	Very high	2 Å²	2	20.4 Å²	20.4	1%	0.01	12%	0.116	C	C	.	.	H	α-helix	trans	-69.5	-30.8	-172.9	-164.6	66.6	74.8	0	0	113.4	Y444 T448 L453 T454 S568 N590	Y444-M451 HydrophobicContact CD1-CG 4.28Å; Y444-M451 HydrophobicContact CD1-SD 3.47Å; Y444-M451 WeakPolarHBondContact CD1-SD 3.32Å; Y444-M451 HydrophobicContact CD2-SD 4.48Å; Y444-M451 HydrophobicContact CE1-SD 4.02Å; Y444-M451 HydrophobicContact CG-CG 4.48Å; Y444-M451 HydrophobicContact CG-SD 3.71Å; T448-M451 PolarHBondContact O-N 2.87Å; M451-L453 PolarHBondContact O-N 2.85Å; M451-T454 WeakPolarHBondContact CA-OG1 3.34Å; M451-T454 WeakPolarHBondContact O-CB 3.43Å; M451-T454 PolarHBondContact O-N 2.83Å; M451-T454 HydrophobicContact SD-CG2 4.25Å; M451-S568 WeakPolarHBondContact CE-OG 3.32Å; M451-N590 HydrophobicContact CG-CB 4.24Å
452	I	95	Very high	95.1	Very high	86 Å²	86	20.3 Å²	20.3	44%	0.441	12%	0.116	S	C	.	.	H	α-helix	trans	-64.1	-29	178.7	-165.4	174.3	0	0	0	112.8	S446 T448 P449 G450	S446-I452 WeakPolarHBondContact O-CD1 3.21Å; S446-I452 WeakPolarHBondContact O-CG1 3.45Å; T448-I452 WeakPolarHBondContact O-CB 3.38Å; T448-I452 WeakPolarHBondContact O-CG2 3.25Å; T448-I452 PolarHBondContact O-N 2.98Å; P449-I452 WeakPolarHBondContact O-CG2 3.33Å; G450-I452 PolarHBondContact O-N 2.84Å
453	L	93.6	Very high	95.2	Very high	40 Å²	40	20.3 Å²	20.3	21%	0.209	12%	0.116	C	C	.	.	H	α-helix	trans	-85.8	-15.8	176.3	-68.1	176.9	0	0	0	112.2	P291 V294 G450 M451 K455	P291-L453 VanDerWaalsContact CD-O 3.26Å; P291-L453 WeakPolarHBondContact CD-O 3.44Å; V294-L453 HydrophobicContact CG1-CD1 4.24Å; V294-L453 HydrophobicContact CG1-CD2 4.22Å; G450-L453 PolarHBondContact O-N 3.11Å; M451-L453 PolarHBondContact O-N 2.85Å; L453-K455 PolarHBondContact O-N 3.19Å; L453-K455 PolarHBondContact O-NZ 3.35Å
454	T	96.3	Very high	95.3	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.109	C	C	.	.			trans	-65.7	115.2	-161.8	-64.8	0	0	0	0	113.3	Q289 M290 Y444 G450 M451 F456	Q289-T454 PolarHBondContact OE1-OG1 3.5Å; M290-T454 CarbonylContact O-C 3.55Å; M290-T454 WeakPolarHBondContact O-CA 3.35Å; Y444-T454 HydrophobicContact CD2-CG2 3.6Å; Y444-T454 HydrophobicContact CE2-CG2 4.08Å; Y444-T454 HydrophobicContact CG-CG2 4.15Å; Y444-T454 PolarHBondContact N-O 3.29Å; G450-T454 PolarHBondContact O-N 2.9Å; G450-T454 PolarHBondContact O-OG1 3.27Å; M451-T454 WeakPolarHBondContact CA-OG1 3.34Å; M451-T454 WeakPolarHBondContact O-CB 3.43Å; M451-T454 PolarHBondContact O-N 2.83Å; M451-T454 HydrophobicContact SD-CG2 4.25Å; T454-F456 HydrophobicContact CG2-CD2 3.53Å; T454-F456 HydrophobicContact CG2-CE2 3.14Å; T454-F456 HydrophobicContact CG2-CG 4.37Å; T454-F456 HydrophobicContact CG2-CZ 3.7Å
455	K	95.9	Very high	95.2	Very high	34 Å²	34	20.4 Å²	20.4	15%	0.148	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	89.9	176.4	-60.2	164.7	-171	81.9	0	107.1	M290 M441 S442 V443 L453 L687 E693	M290-K455 PolarHBondContact O-N 2.83Å; M441-K455 HydrophobicContact CE-CB 3.96Å; S442-K455 CarbonylContact O-C 3.04Å; S442-K455 WeakPolarHBondContact O-CA 3.37Å; V443-K455 HydrophobicContact CG1-CG 4.19Å; V443-K455 HydrophobicContact CG2-CG 4.3Å; L453-K455 PolarHBondContact O-N 3.19Å; L453-K455 PolarHBondContact O-NZ 3.35Å; K455-L687 HydrophobicContact CD-CD1 3.7Å; K455-L687 HydrophobicContact CG-CD1 4.42Å; K455-E693 HydrophobicContact CD-CB 4.3Å
456	F	95.2	Very high	95.3	Very high	13 Å²	13	21.9 Å²	21.9	6%	0.057	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	127.9	179.5	-70.2	-74.9	0	0	0	110	F287 M290 M441 S442 Y444 T454	F287-F456 HydrophobicContact CE1-CZ 4.09Å; F287-F456 HydrophobicContact CZ-CE2 4.44Å; F287-F456 AromaticContact CZ-CZ 3.8Å; F287-F456 HydrophobicContact CZ-CZ 3.8Å; M290-F456 HydrophobicContact CE-CD1 3.64Å; M290-F456 HydrophobicContact CE-CE1 3.85Å; M290-F456 HydrophobicContact CG-CD1 3.35Å; M290-F456 HydrophobicContact CG-CE1 3.68Å; M290-F456 HydrophobicContact CG-CG 4.1Å; M290-F456 HydrophobicContact SD-CB 4.35Å; M290-F456 HydrophobicContact SD-CD1 3.42Å; M290-F456 WeakPolarHBondContact SD-CD1 3.47Å; M290-F456 HydrophobicContact SD-CE1 4.11Å; M290-F456 HydrophobicContact SD-CG 4.28Å; M441-F456 WeakPolarHBondContact CA-O 3.47Å; M441-F456 VanDerWaalsContact CG-O 3.25Å; M441-F456 WeakPolarHBondContact CG-O 3.31Å; S442-F456 PolarHBondContact N-O 3.31Å; S442-F456 PolarHBondContact O-N 2.82Å; Y444-F456 HydrophobicContact CD2-CD2 4.36Å; Y444-F456 AromaticContact CE2-CD2 3.74Å; Y444-F456 HydrophobicContact CE2-CD2 3.74Å; Y444-F456 AromaticContact CE2-CE2 3.96Å; Y444-F456 HydrophobicContact CE2-CE2 3.96Å; T454-F456 HydrophobicContact CG2-CD2 3.53Å; T454-F456 HydrophobicContact CG2-CE2 3.14Å; T454-F456 HydrophobicContact CG2-CG 4.37Å; T454-F456 HydrophobicContact CG2-CZ 3.7Å
457	L	95.2	Very high	95.3	Very high	40 Å²	40	21.8 Å²	21.8	21%	0.209	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	95.5	170.3	-170.5	75.1	0	0	0	106.8	E439 M441 S459 S460	E439-L457 HydrophobicContact CG-CD1 3.51Å; E439-L457 HydrophobicContact CG-CG 4.33Å; E439-L457 WeakPolarHBondContact OE2-CD1 3.47Å; E439-L457 WeakPolarHBondContact OE2-CG 3.32Å; M441-L457 HydrophobicContact CB-CD1 4.35Å; M441-L457 HydrophobicContact CG-CD1 4.48Å; M441-L457 HydrophobicContact SD-CD1 4.13Å; L457-S459 VanDerWaalsContact C-N 3.33Å; L457-S459 PolarHBondContact O-N 3.47Å; L457-S460 VanDerWaalsContact O-CB 3.25Å; L457-S460 WeakPolarHBondContact O-CB 3.19Å; L457-S460 PolarHBondContact O-N 3.23Å; L457-S460 PolarHBondContact O-OG 3.34Å
458	D	96.2	Very high	95.3	Very high	4 Å²	4	23.5 Å²	23.5	2%	0.021	12%	0.12	C	C	.	.	G	3₁₀ helix	trans	-69.7	-29.6	-159.5	-70.2	-25.9	0	0	0	112.8	E439 A440 S460 I461 G462 I463 I540 Y545	E439-D458 PolarHBondContact OE1-N 2.9Å; A440-D458 HydrophobicContact CB-CB 4.1Å; A440-D458 VanDerWaalsContact O-CB 3.31Å; A440-D458 WeakPolarHBondContact O-CB 3.18Å; A440-D458 PolarHBondContact O-N 3.16Å; D458-S460 PolarHBondContact O-N 3.23Å; D458-I461 PolarHBondContact O-N 3.06Å; D458-G462 PolarHBondContact O-N 2.96Å; D458-I463 HydrophobicContact CB-CD1 4.29Å; D458-I463 HydrophobicContact CB-CG1 3.79Å; D458-I540 HydrophobicContact CB-CD1 3.75Å; D458-Y545 WeakPolarHBondContact OD2-CE2 3.48Å; D458-Y545 PolarHBondContact OD2-OH 2.86Å
459	S	94.6	Very high	95.4	Very high	27 Å²	27	28.4 Å²	28.4	19%	0.189	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-62.7	-24.8	174.5	83.1	0	0	0	0	112.8	E439 L457 I461 G462	E439-S459 WeakPolarHBondContact OE1-CB 3.25Å; E439-S459 PolarHBondContact OE1-N 3.1Å; E439-S459 WeakPolarHBondContact OE2-CB 3.26Å; E439-S459 PolarHBondContact OE2-OG 3.25Å; L457-S459 VanDerWaalsContact C-N 3.33Å; L457-S459 PolarHBondContact O-N 3.47Å; S459-I461 PolarHBondContact O-N 3.16Å; S459-G462 PolarHBondContact O-N 2.82Å
460	S	91.3	Very high	95.5	Very high	45 Å²	45	28.4 Å²	28.4	32%	0.315	14%	0.142	S	C	.	.	G	3₁₀ helix	trans	-68.7	-23.1	175.7	78.3	0	0	0	0	113	L247 L457 D458	L247-S460 WeakPolarHBondContact CB-O 3.24Å; L457-S460 VanDerWaalsContact O-CB 3.25Å; L457-S460 WeakPolarHBondContact O-CB 3.19Å; L457-S460 PolarHBondContact O-N 3.23Å; L457-S460 PolarHBondContact O-OG 3.34Å; D458-S460 PolarHBondContact O-N 3.23Å
461	I	92.1	Very high	95.8	Very high	25 Å²	25	32.4 Å²	32.4	13%	0.128	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.6	-32.8	173.7	-37.6	178.7	0	0	0	110.1	M290 D458 S459 R465 F466 I540	M290-I461 HydrophobicContact CE-CD1 3.51Å; M290-I461 HydrophobicContact CE-CG1 3.91Å; M290-I461 HydrophobicContact SD-CD1 4.3Å; D458-I461 PolarHBondContact O-N 3.06Å; S459-I461 PolarHBondContact O-N 3.16Å; I461-R465 WeakPolarHBondContact O-CD 3.15Å; I461-F466 HydrophobicContact CB-CE2 4.17Å; I461-F466 HydrophobicContact CG2-CE2 3.52Å; I461-F466 HydrophobicContact CG2-CZ 3.88Å; I461-I540 HydrophobicContact CD1-CG2 4.08Å
462	G	94.8	Very high	95.8	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.185	C	C	.	.			trans	110.6	96.8	178.5	0	0	0	0	0	110.5	S415 L416 D458 S459 G464 R465 F466	S415-G462 WeakPolarHBondContact O-CA 3.32Å; L416-G462 CarbonylContact O-C 3.57Å; L416-G462 WeakPolarHBondContact O-CA 3.4Å; D458-G462 PolarHBondContact O-N 2.96Å; S459-G462 PolarHBondContact O-N 2.82Å; G462-G464 PolarHBondContact O-N 3.18Å; G462-R465 WeakPolarHBondContact O-CB 3.36Å; G462-R465 PolarHBondContact O-N 2.97Å; G462-F466 WeakPolarHBondContact O-CD2 3.48Å
463	I	97.5	Very high	95.9	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.005	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-52.1	177	-66.3	167	0	0	0	109.9	L416 V437 A440 D458 R465 F466 T538 I540 W547	L416-I463 PolarHBondContact O-N 2.88Å; V437-I463 HydrophobicContact CG1-CD1 4.26Å; A440-I463 HydrophobicContact CB-CD1 4.14Å; D458-I463 HydrophobicContact CB-CD1 4.29Å; D458-I463 HydrophobicContact CB-CG1 3.79Å; I463-R465 VanDerWaalsContact C-N 3.31Å; I463-R465 PolarHBondContact O-N 3.12Å; I463-F466 PolarHBondContact O-N 2.87Å; I463-T538 HydrophobicContact CG2-CG2 3.93Å; I463-T538 WeakPolarHBondContact O-CB 3.41Å; I463-T538 WeakPolarHBondContact O-CG2 3.48Å; I463-I540 HydrophobicContact CB-CD1 4.25Å; I463-I540 HydrophobicContact CG1-CD1 3.98Å; I463-I540 HydrophobicContact CG2-CD1 4.43Å; I463-W547 HydrophobicContact CG2-CZ2 4.15Å
464	G	96.9	Very high	96	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-69.5	-24.6	179.3	0	0	0	0	0	114.4	S414 S415 G462 F466 A467 R487	S414-G464 WeakPolarHBondContact O-CA 3.4Å; S415-G464 CarbonylContact O-C 3.5Å; S415-G464 PolarHBondContact O-N 3.34Å; G462-G464 PolarHBondContact O-N 3.18Å; G464-F466 PolarHBondContact O-N 2.9Å; G464-F466 VanDerWaalsContact O-N 3.16Å; G464-A467 PolarHBondContact O-N 2.83Å; G464-A467 VanDerWaalsContact O-N 3.11Å; G464-R487 WeakPolarHBondContact O-CD 3.26Å; G464-R487 PolarHBondContact O-NE 3.37Å; G464-R487 PolarHBondContact O-NH1 3.05Å
465	R	96	Very high	96.1	Very high	39 Å²	39	41 Å²	41	15%	0.147	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-52.3	-37.6	173.8	176.6	177.7	179.5	169.1	0.7	111.1	S415 I461 G462 I463 R487 I489 D490	S415-R465 PolarHBondContact O-N 3.41Å; I461-R465 WeakPolarHBondContact O-CD 3.15Å; G462-R465 WeakPolarHBondContact O-CB 3.36Å; G462-R465 PolarHBondContact O-N 2.97Å; I463-R465 VanDerWaalsContact C-N 3.31Å; I463-R465 PolarHBondContact O-N 3.12Å; R465-R487 PolarHBondContact O-NH1 3.44Å; R465-I489 HydrophobicContact CB-CD1 4.32Å; R465-I489 HydrophobicContact CB-CG2 3.83Å; R465-I489 HydrophobicContact CG-CG2 3.54Å; R465-D490 IonicContact CZ-OD2 2.77Å; R465-D490 IonicContact NH1-OD2 3.83Å; R465-D490 PolarHBondContact NH1-OD2 2.9Å; R465-D490 VanDerWaalsContact NH2-CB 3.31Å; R465-D490 IonicContact NH2-OD2 2.87Å; R465-D490 PolarHBondContact NH2-OD2 2.77Å
466	F	97.1	Very high	96.2	Very high	46 Å²	46	39.6 Å²	39.6	20%	0.202	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-97.3	16.8	-176.7	-62.4	-75.4	0	0	0	114.7	I461 G462 I463 G464 H468 T538 A539 I540	I461-F466 HydrophobicContact CB-CE2 4.17Å; I461-F466 HydrophobicContact CG2-CE2 3.52Å; I461-F466 HydrophobicContact CG2-CZ 3.88Å; G462-F466 WeakPolarHBondContact O-CD2 3.48Å; I463-F466 PolarHBondContact O-N 2.87Å; G464-F466 PolarHBondContact O-N 2.9Å; G464-F466 VanDerWaalsContact O-N 3.16Å; F466-H468 AromaticContact CD1-NE2 3.81Å; F466-H468 PolarHBondContact O-CD2 3.06Å; F466-H468 PolarHBondContact O-N 2.9Å; F466-T538 CarbonylContact O-C 3.55Å; F466-T538 VanDerWaalsContact O-CA 3.28Å; F466-T538 WeakPolarHBondContact O-CA 3.2Å; F466-A539 WeakPolarHBondContact CB-O 3.47Å; F466-A539 WeakPolarHBondContact CD1-O 3.26Å; F466-A539 PolarHBondContact O-N 3.37Å; F466-I540 HydrophobicContact CB-CG1 3.97Å; F466-I540 HydrophobicContact CD2-CB 4.3Å; F466-I540 HydrophobicContact CD2-CG1 3.86Å; F466-I540 HydrophobicContact CD2-CG2 4.08Å; F466-I540 HydrophobicContact CE2-CG2 4.22Å; F466-I540 HydrophobicContact CG-CG1 4.18Å
467	A	97.4	Very high	96.3	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.221	C	C	.	.	B	Isolated β-bridge	trans	-72.4	91.7	170.2	0	0	0	0	0	110.5	L413 G464 R487 T536 I537 T538	L413-A467 HydrophobicContact CD2-CB 3.76Å; G464-A467 PolarHBondContact O-N 2.83Å; G464-A467 VanDerWaalsContact O-N 3.11Å; A467-R487 PolarHBondContact O-NH1 2.81Å; A467-R487 PolarHBondContact O-NH2 2.91Å; A467-T536 WeakPolarHBondContact CB-OG1 3.43Å; A467-I537 WeakPolarHBondContact CA-O 3.32Å; A467-T538 HydrophobicContact CB-CG2 3.96Å
468	H	95.5	Very high	96.3	Very high	82 Å²	82	45.1 Å²	45.1	38%	0.38	24%	0.237	S	C	.	.			trans	-83.7	177.1	-175.2	-70.7	-73.7	0	0	0	112.4	F466 L470 F497 S500	F466-H468 AromaticContact CD1-NE2 3.81Å; F466-H468 PolarHBondContact O-CD2 3.06Å; F466-H468 PolarHBondContact O-N 2.9Å; H468-L470 PolarHBondContact O-N 3.24Å; H468-F497 AromaticContact ND1-CE1 3.98Å; H468-S500 WeakPolarHBondContact O-CA 3.28Å
469	E	98.1	Very high	96.3	Very high	107 Å²	107	48.1 Å²	48.1	50%	0.5	25%	0.253	S	S	.	.			trans	-62.4	124.5	178	171.4	158.3	-150.5	0	0	111.3	R498 N499	E469-R498 WeakPolarHBondContact CA-O 3.33Å; E469-R498 VanDerWaalsContact CB-O 3.26Å; E469-R498 WeakPolarHBondContact CB-O 3.48Å; E469-N499 HydrophobicContact CG-CB 4.2Å; E469-N499 PolarHBondContact OE1-ND2 3.23Å
470	L	98.7	Very high	96.4	Very high	5 Å²	5	47 Å²	47	3%	0.026	25%	0.245	C	C	.	.			trans	-79.8	129.3	177.4	-58.4	174.3	0	0	0	110.6	H468 R472 D475 Y482 N499 C502 I537	H468-L470 PolarHBondContact O-N 3.24Å; L470-R472 PolarHBondContact O-N 2.79Å; L470-D475 HydrophobicContact CB-CB 4.2Å; L470-D475 HydrophobicContact CD2-CB 4.21Å; L470-Y482 HydrophobicContact CB-CD1 4.21Å; L470-Y482 HydrophobicContact CB-CE1 3.85Å; L470-N499 WeakPolarHBondContact CB-O 3.2Å; L470-N499 WeakPolarHBondContact CG-O 3.39Å; L470-N499 PolarHBondContact N-O 3.41Å; L470-C502 HydrophobicContact CD1-CB 3.85Å; L470-I537 HydrophobicContact CD2-CB 3.63Å; L470-I537 HydrophobicContact CD2-CD1 3.85Å; L470-I537 HydrophobicContact CD2-CG1 3.6Å
471	V	98	Very high	96.8	Very high	84 Å²	84	47.4 Å²	47.4	51%	0.509	24%	0.244	S	C	.	.			trans	-78.8	114.2	-179	-177.1	0	0	0	0	110.1	G473 V474 D475	V471-G473 PolarHBondContact O-N 3.4Å; V471-V474 HydrophobicContact CB-CB 4.17Å; V471-V474 HydrophobicContact CG1-CB 4.05Å; V471-V474 HydrophobicContact CG1-CG2 3.85Å; V471-V474 PolarHBondContact O-N 3Å; V471-V474 VanDerWaalsContact O-N 3.08Å; V471-D475 PolarHBondContact N-OD2 3.02Å; V471-D475 PolarHBondContact O-N 3.1Å
472	R	97.4	Very high	97.1	Very high	107 Å²	107	47.6 Å²	47.6	40%	0.404	24%	0.243	S	C	.	.	B	Isolated β-bridge	trans	-61.2	125.3	-177.9	-172.3	-179.2	-69	-96.2	3.9	112.7	L470 V474 Y478 A480 Y482	L470-R472 PolarHBondContact O-N 2.79Å; R472-V474 VanDerWaalsContact C-N 3.3Å; R472-Y478 VanDerWaalsContact CD-O 3.25Å; R472-Y478 WeakPolarHBondContact CD-O 3.27Å; R472-Y478 HydrophobicContact CG-CD2 3.76Å; R472-Y478 HydrophobicContact CG-CE2 4.09Å; R472-Y478 HydrophobicContact CG-CG 4.09Å; R472-Y478 WeakPolarHBondContact CG-O 3.27Å; R472-Y478 PolarHBondContact NH1-O 2.89Å; R472-A480 PolarHBondContact NH1-O 2.86Å; R472-A480 VanDerWaalsContact NH1-O 3.12Å; R472-Y482 VanDerWaalsContact CA-OH 3.31Å; R472-Y482 WeakPolarHBondContact CA-OH 3.19Å; R472-Y482 HydrophobicContact CB-CE2 4.34Å; R472-Y482 HydrophobicContact CG-CE2 3.93Å; R472-Y482 VanDerWaalsContact NH1-CE2 3.29Å
473	G	95.8	Very high	97.2	Very high	46 Å²	46	49.2 Å²	49.2	47%	0.474	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.3	-5	-177.9	0	0	0	0	0	114.8	V471 C476	V471-G473 PolarHBondContact O-N 3.4Å; G473-C476 WeakPolarHBondContact CA-O 2.92Å; G473-C476 PolarHBondContact N-O 3.2Å
474	V	96.1	Very high	97.2	Very high	115 Å²	115	51.4 Å²	51.4	70%	0.697	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.2	-63.2	173.4	-179.5	0	0	0	0	109.2	V471 R472	V471-V474 HydrophobicContact CB-CB 4.17Å; V471-V474 HydrophobicContact CG1-CB 4.05Å; V471-V474 HydrophobicContact CG1-CG2 3.85Å; V471-V474 PolarHBondContact O-N 3Å; V471-V474 VanDerWaalsContact O-N 3.08Å; R472-V474 VanDerWaalsContact C-N 3.3Å
475	D	98.1	Very high	97.2	Very high	42 Å²	42	51.9 Å²	51.9	23%	0.225	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-31.2	-175.7	-61.8	-31.4	0	0	0	112.2	L470 V471 R535 I537	L470-D475 HydrophobicContact CB-CB 4.2Å; L470-D475 HydrophobicContact CD2-CB 4.21Å; V471-D475 PolarHBondContact N-OD2 3.02Å; V471-D475 PolarHBondContact O-N 3.1Å; D475-R535 PolarHBondContact O-NH1 2.91Å; D475-I537 HydrophobicContact CB-CD1 3.7Å
476	C	98.2	Very high	97.3	Very high	4 Å²	4	52.8 Å²	52.8	3%	0.027	27%	0.272	C	S	.	.	B	Isolated β-bridge	trans	-141.7	160.1	174.1	-32.8	0	0	0	0	110.9	G473 A480 Y482 C502 F504	G473-C476 WeakPolarHBondContact CA-O 2.92Å; G473-C476 PolarHBondContact N-O 3.2Å; C476-A480 HydrophobicContact CB-CB 4.14Å; C476-Y482 HydrophobicContact CB-CE1 4.35Å; C476-Y482 WeakPolarHBondContact CB-OH 3.35Å; C476-Y482 PolarHBondContact O-OH 3.41Å; C476-C502 HydrophobicContact CB-CB 3.74Å; C476-C502 WeakPolarHBondContact CB-SG 3.43Å; C476-C502 WeakPolarHBondContact SG-CB 3.23Å; C476-C502 CovalentContact SG-SG 2.01Å; C476-C502 PolarHBondContact SG-SG 2.92Å; C476-F504 HydrophobicContact CB-CD1 4.14Å; C476-F504 HydrophobicContact CB-CE1 3.96Å
477	P	97.6	Very high	97.2	Very high	28 Å²	28	50.8 Å²	50.8	18%	0.182	26%	0.263	C	S	.	.			trans	-53.8	145	175.8	-27	36.5	0	0	0	112.1	N479 A480 F504	P477-N479 PolarHBondContact O-N 2.95Å; P477-A480 VanDerWaalsContact O-CB 3.26Å; P477-A480 WeakPolarHBondContact O-CB 3.06Å; P477-A480 PolarHBondContact O-N 2.69Å; P477-F504 HydrophobicContact CG-CD2 3.53Å; P477-F504 HydrophobicContact CG-CE2 3.68Å; P477-F504 HydrophobicContact CG-CG 4.01Å; P477-F504 HydrophobicContact CG-CZ 4.28Å
478	Y	95.6	Very high	97.2	Very high	140 Å²	140	51 Å²	51	55%	0.549	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-34.3	-173.1	-163.4	-92.7	0	0	0	113.6	R472	R472-Y478 VanDerWaalsContact CD-O 3.25Å; R472-Y478 WeakPolarHBondContact CD-O 3.27Å; R472-Y478 HydrophobicContact CG-CD2 3.76Å; R472-Y478 HydrophobicContact CG-CE2 4.09Å; R472-Y478 HydrophobicContact CG-CG 4.09Å; R472-Y478 WeakPolarHBondContact CG-O 3.27Å; R472-Y478 PolarHBondContact NH1-O 2.89Å
479	N	94.8	Very high	97.3	Very high	68 Å²	68	47.4 Å²	47.4	36%	0.364	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.4	13.5	-178.5	-65.6	-41.8	0	0	0	114.3	Q387 Y389 K393 P477	Q387-N479 PolarHBondContact O-ND2 3.02Å; Y389-N479 HydrophobicContact CD2-CB 4.17Å; Y389-N479 HydrophobicContact CE2-CB 4.01Å; K393-N479 VanDerWaalsContact CE-O 3.27Å; K393-N479 WeakPolarHBondContact CE-O 3.39Å; K393-N479 PolarHBondContact NZ-O 2.7Å; K393-N479 VanDerWaalsContact NZ-O 3.11Å; P477-N479 PolarHBondContact O-N 2.95Å
480	A	98.1	Very high	97.2	Very high	2 Å²	2	42.4 Å²	42.4	2%	0.017	22%	0.224	C	C	.	.			trans	-61	151.2	171.9	0	0	0	0	0	111.3	R472 C476 P477 Y482 C502 F504	R472-A480 PolarHBondContact NH1-O 2.86Å; R472-A480 VanDerWaalsContact NH1-O 3.12Å; C476-A480 HydrophobicContact CB-CB 4.14Å; P477-A480 VanDerWaalsContact O-CB 3.26Å; P477-A480 WeakPolarHBondContact O-CB 3.06Å; P477-A480 PolarHBondContact O-N 2.69Å; A480-Y482 HydrophobicContact CB-CD2 4.24Å; A480-Y482 HydrophobicContact CB-CE2 3.68Å; A480-Y482 VanDerWaalsContact O-CD2 3.27Å; A480-Y482 WeakPolarHBondContact O-CD2 3.35Å; A480-Y482 WeakPolarHBondContact O-CE2 3.14Å; A480-C502 HydrophobicContact CB-CB 4.26Å; A480-F504 HydrophobicContact CB-CB 3.78Å; A480-F504 HydrophobicContact CB-CD1 4.15Å; A480-F504 HydrophobicContact CB-CG 4.29Å
481	D	98.4	Very high	97	Very high	55 Å²	55	43.2 Å²	43.2	29%	0.294	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	134.5	161.7	-73.3	-47.7	0	0	0	108.6	K393 Y395 I397 C502 I503	K393-D481 WeakPolarHBondContact CD-OD2 3.47Å; K393-D481 IonicContact NZ-OD1 3.58Å; K393-D481 PolarHBondContact NZ-OD1 2.92Å; K393-D481 IonicContact NZ-OD2 3.5Å; K393-D481 PolarHBondContact NZ-OD2 3.36Å; Y395-D481 WeakPolarHBondContact CE2-OD2 3.39Å; Y395-D481 PolarHBondContact OH-OD2 2.88Å; I397-D481 HydrophobicContact CD1-CB 3.54Å; D481-C502 CarbonylContact O-C 3.6Å; D481-C502 VanDerWaalsContact O-CA 3.23Å; D481-C502 WeakPolarHBondContact O-CA 3.43Å; D481-I503 PolarHBondContact N-O 2.79Å; D481-I503 PolarHBondContact O-N 2.98Å
482	Y	98.5	Very high	96.7	Very high	28 Å²	28	40.4 Å²	40.4	11%	0.11	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	136.5	178.3	-70.1	-99.7	0	0	0	108.4	L470 R472 C476 A480 N499 I501 C502	L470-Y482 HydrophobicContact CB-CD1 4.21Å; L470-Y482 HydrophobicContact CB-CE1 3.85Å; R472-Y482 VanDerWaalsContact CA-OH 3.31Å; R472-Y482 WeakPolarHBondContact CA-OH 3.19Å; R472-Y482 HydrophobicContact CB-CE2 4.34Å; R472-Y482 HydrophobicContact CG-CE2 3.93Å; R472-Y482 VanDerWaalsContact NH1-CE2 3.29Å; C476-Y482 HydrophobicContact CB-CE1 4.35Å; C476-Y482 WeakPolarHBondContact CB-OH 3.35Å; C476-Y482 PolarHBondContact O-OH 3.41Å; A480-Y482 HydrophobicContact CB-CD2 4.24Å; A480-Y482 HydrophobicContact CB-CE2 3.68Å; A480-Y482 VanDerWaalsContact O-CD2 3.27Å; A480-Y482 WeakPolarHBondContact O-CD2 3.35Å; A480-Y482 WeakPolarHBondContact O-CE2 3.14Å; Y482-N499 WeakPolarHBondContact CB-OD1 3.39Å; Y482-N499 HydrophobicContact CD1-CB 3.73Å; Y482-N499 HydrophobicContact CG-CB 4.12Å; Y482-I501 CarbonylContact C-O 3.53Å; Y482-I501 VanDerWaalsContact CA-O 3.27Å; Y482-I501 WeakPolarHBondContact CA-O 3.3Å; Y482-C502 HydrophobicContact CD1-CB 3.76Å; Y482-C502 HydrophobicContact CE1-CB 3.7Å; Y482-C502 HydrophobicContact CG-CB 4.32Å
483	V	98.3	Very high	96.6	Very high	35 Å²	35	39 Å²	39	21%	0.212	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	133.8	-175.3	-177.6	0	0	0	0	108.1	F411 N499 S500 I501 I503	F411-V483 HydrophobicContact CE2-CG1 4.32Å; F411-V483 HydrophobicContact CZ-CG1 4.27Å; F411-V483 HydrophobicContact CZ-CG2 4.42Å; V483-N499 CarbonylContact O-C 3.39Å; V483-S500 PolarHBondContact O-N 3.48Å; V483-S500 VanDerWaalsContact O-N 3.09Å; V483-S500 PolarHBondContact O-OG 3.48Å; V483-I501 HydrophobicContact CB-CB 4.01Å; V483-I501 HydrophobicContact CB-CG2 4.04Å; V483-I501 HydrophobicContact CG2-CG2 4.33Å; V483-I501 PolarHBondContact N-O 3.23Å; V483-I501 PolarHBondContact O-N 3.46Å; V483-I501 VanDerWaalsContact O-N 3.17Å; V483-I503 HydrophobicContact CG2-CD1 4.44Å
484	D	97.9	Very high	96.6	Very high	46 Å²	46	37.4 Å²	37.4	25%	0.246	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	152	175	-66.2	-8.4	0	0	0	110.2	R496 F497 R498 N499	D484-R496 IonicContact OD2-CZ 2.62Å; D484-R496 IonicContact OD2-NE 3.8Å; D484-R496 PolarHBondContact OD2-NE 2.88Å; D484-R496 IonicContact OD2-NH2 3.37Å; D484-R496 PolarHBondContact OD2-NH2 3.49Å; D484-F497 WeakPolarHBondContact CA-O 3.4Å; D484-R498 VanDerWaalsContact OD1-CA 3.24Å; D484-R498 WeakPolarHBondContact OD1-CA 3.4Å; D484-N499 PolarHBondContact OD1-N 2.89Å
485	T	96.7	Very high	96.7	Very high	10 Å²	10	34.5 Å²	34.5	6%	0.061	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	151.5	173.8	58.9	0	0	0	0	110.9	L413 R487 F497 S500 I501	L413-T485 HydrophobicContact CB-CG2 4.4Å; L413-T485 HydrophobicContact CD2-CG2 3.82Å; T485-R487 PolarHBondContact OG1-NH2 3.36Å; T485-F497 PolarHBondContact N-O 3Å; T485-F497 PolarHBondContact O-N 3.33Å; T485-S500 WeakPolarHBondContact CB-OG 3.39Å; T485-S500 VanDerWaalsContact CG2-OG 3.25Å; T485-S500 WeakPolarHBondContact CG2-OG 3.41Å; T485-S500 PolarHBondContact N-OG 2.52Å; T485-S500 PolarHBondContact OG1-OG 3.24Å; T485-I501 HydrophobicContact CG2-CD1 3.63Å; T485-I501 HydrophobicContact CG2-CG1 4.28Å
486	Y	97.3	Very high	96.6	Very high	59 Å²	59	38.6 Å²	38.6	23%	0.231	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	146.6	172.6	-65.8	-94.1	0	0	0	110	Q144 V495 R496	Q144-Y486 HydrophobicContact CB-CD1 3.81Å; Q144-Y486 HydrophobicContact CB-CE1 3.72Å; Q144-Y486 HydrophobicContact CB-CE2 4.47Å; Q144-Y486 HydrophobicContact CB-CG 4.23Å; Q144-Y486 HydrophobicContact CG-CD1 4.04Å; Q144-Y486 HydrophobicContact CG-CE1 3.91Å; Y486-V495 WeakPolarHBondContact CA-O 3.34Å; Y486-R496 HydrophobicContact CD1-CB 3.9Å; Y486-R496 HydrophobicContact CD1-CG 4.43Å; Y486-R496 HydrophobicContact CE1-CB 3.51Å; Y486-R496 HydrophobicContact CE1-CG 3.83Å
487	R	95.9	Very high	96.6	Very high	4 Å²	4	40.6 Å²	40.6	2%	0.015	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	146.9	-179.1	-54.5	-179	-166.5	132.5	13.9	110.9	S415 G464 R465 A467 T485 P494 V495 F497	S415-R487 WeakPolarHBondContact OG-CB 3.31Å; S415-R487 WeakPolarHBondContact OG-CG 3.39Å; G464-R487 WeakPolarHBondContact O-CD 3.26Å; G464-R487 PolarHBondContact O-NE 3.37Å; G464-R487 PolarHBondContact O-NH1 3.05Å; R465-R487 PolarHBondContact O-NH1 3.44Å; A467-R487 PolarHBondContact O-NH1 2.81Å; A467-R487 PolarHBondContact O-NH2 2.91Å; T485-R487 PolarHBondContact OG1-NH2 3.36Å; R487-P494 WeakPolarHBondContact O-CA 3.39Å; R487-V495 PolarHBondContact N-O 2.82Å; R487-V495 PolarHBondContact O-N 3.47Å; R487-F497 HydrophobicContact CB-CE2 4.28Å; R487-F497 HydrophobicContact CG-CD2 4.19Å; R487-F497 HydrophobicContact CG-CE2 4.32Å; R487-F497 VanDerWaalsContact NH1-CD1 3.33Å; R487-F497 VanDerWaalsContact NH1-CG 3.32Å
488	Y	97.4	Very high	96.6	Very high	5 Å²	5	46.4 Å²	46.4	2%	0.02	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	89	169.9	-166.5	-64	0	0	0	107.9	Q151 L175 L177 I178 V491 P494	Q151-Y488 HydrophobicContact CB-CE2 4.23Å; Q151-Y488 HydrophobicContact CG-CE2 3.84Å; Q151-Y488 PolarHBondContact NE2-OH 3.04Å; L175-Y488 HydrophobicContact CD2-CD1 3.94Å; L175-Y488 HydrophobicContact CD2-CE1 3.31Å; L177-Y488 WeakPolarHBondContact CA-O 3.25Å; L177-Y488 WeakPolarHBondContact CD1-O 3.38Å; I178-Y488 HydrophobicContact CB-CD1 4.27Å; I178-Y488 HydrophobicContact CB-CG 4.15Å; I178-Y488 HydrophobicContact CD1-CD1 3.99Å; I178-Y488 HydrophobicContact CD1-CD2 3.86Å; I178-Y488 HydrophobicContact CD1-CE1 4.23Å; I178-Y488 HydrophobicContact CD1-CE2 4.07Å; I178-Y488 HydrophobicContact CD1-CG 3.83Å; I178-Y488 HydrophobicContact CG1-CD1 3.75Å; I178-Y488 HydrophobicContact CG1-CD2 4.45Å; I178-Y488 HydrophobicContact CG1-CE1 4.23Å; I178-Y488 HydrophobicContact CG1-CG 3.9Å; I178-Y488 PolarHBondContact N-O 3.09Å; Y488-V491 WeakPolarHBondContact CE1-O 3.32Å; Y488-V491 PolarHBondContact OH-O 2.9Å; Y488-P494 HydrophobicContact CD2-CB 4.48Å
489	I	96.5	Very high	96.7	Very high	6 Å²	6	41.7 Å²	41.7	3%	0.031	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	119.9	176.6	-176.4	169.1	0	0	0	109	F176 L177 L416 R465 V491	F176-I489 HydrophobicContact CE1-CD1 4.13Å; F176-I489 HydrophobicContact CE1-CG1 3.87Å; F176-I489 HydrophobicContact CE2-CG1 4.24Å; F176-I489 HydrophobicContact CZ-CD1 3.91Å; F176-I489 HydrophobicContact CZ-CG1 3.5Å; F176-I489 VanDerWaalsContact CZ-CG1 3.5Å; F176-I489 CarbonylContact O-C 3.58Å; F176-I489 VanDerWaalsContact O-CA 3.32Å; F176-I489 WeakPolarHBondContact O-CA 3.2Å; L177-I489 HydrophobicContact CD1-CB 3.93Å; L177-I489 HydrophobicContact CD1-CD1 4.16Å; L177-I489 HydrophobicContact CD1-CG1 4.13Å; L416-I489 HydrophobicContact CD2-CD1 3.82Å; R465-I489 HydrophobicContact CB-CD1 4.32Å; R465-I489 HydrophobicContact CB-CG2 3.83Å; R465-I489 HydrophobicContact CG-CG2 3.54Å; I489-V491 PolarHBondContact O-N 2.89Å
490	D	95.5	Very high	96.9	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.005	19%	0.185	C	C	.	.	S	Bend	trans	55.3	31.8	-177.8	-160.8	23.4	0	0	0	113.5	Q166 F174 F176 T249 I250 R465	Q166-D490 PolarHBondContact NE2-O 3.42Å; F174-D490 WeakPolarHBondContact CE1-OD1 3.16Å; F176-D490 HydrophobicContact CD2-CB 4.22Å; F176-D490 HydrophobicContact CE2-CB 3.66Å; F176-D490 HydrophobicContact CZ-CB 4.47Å; F176-D490 PolarHBondContact O-N 3.43Å; T249-D490 VanDerWaalsContact CB-OD1 3.25Å; T249-D490 WeakPolarHBondContact CB-OD1 3.49Å; I250-D490 WeakPolarHBondContact CG1-OD2 3.39Å; I250-D490 PolarHBondContact N-OD1 2.85Å; I250-D490 PolarHBondContact N-OD2 2.9Å; R465-D490 IonicContact CZ-OD2 2.77Å; R465-D490 IonicContact NH1-OD2 3.83Å; R465-D490 PolarHBondContact NH1-OD2 2.9Å; R465-D490 VanDerWaalsContact NH2-CB 3.31Å; R465-D490 IonicContact NH2-OD2 2.87Å; R465-D490 PolarHBondContact NH2-OD2 2.77Å
491	V	94.4	Very high	96.9	Very high	23 Å²	23	38.3 Å²	38.3	14%	0.139	18%	0.184	C	C	.	.	S	Bend	trans	-137.4	151.7	179.6	-71.3	0	0	0	0	109.5	Y488 I489 V493 V495	Y488-V491 WeakPolarHBondContact CE1-O 3.32Å; Y488-V491 PolarHBondContact OH-O 2.9Å; I489-V491 PolarHBondContact O-N 2.89Å; V491-V493 VanDerWaalsContact C-N 3.32Å; V491-V493 WeakPolarHBondContact CG2-O 3.44Å; V491-V495 HydrophobicContact CB-CG2 4.38Å; V491-V495 HydrophobicContact CG1-CG2 4.26Å; V491-V495 HydrophobicContact CG2-CG2 4.21Å
492	P	93.2	Very high	96.9	Very high	24 Å²	24	35.7 Å²	35.7	16%	0.156	17%	0.17	C	C	.	.	S	Bend	trans	-88.9	4.1	-178.7	37.7	-37.7	0	0	0	112.5	Q151 T164 Q166	Q151-P492 PolarHBondContact NE2-O 3.17Å; T164-P492 VanDerWaalsContact O-CB 3.29Å; T164-P492 WeakPolarHBondContact O-CB 3.36Å; Q166-P492 HydrophobicContact CB-CG 4.21Å
493	V	94.8	Very high	96.9	Very high	78 Å²	78	34.4 Å²	34.4	47%	0.473	17%	0.165	S	C	.	.	S	Bend	trans	-154.3	153.6	177.4	-70.3	0	0	0	0	109.2	V491 V495	V491-V493 VanDerWaalsContact C-N 3.32Å; V491-V493 WeakPolarHBondContact CG2-O 3.44Å; V493-V495 PolarHBondContact O-N 3.02Å
494	P	96.3	Very high	96.9	Very high	13 Å²	13	33 Å²	33	8%	0.084	16%	0.156	C	C	.	.			trans	-64.3	133.4	174.3	24.3	-31.2	0	0	0	111.6	Q144 Y147 L148 R487 Y488	Q144-P494 HydrophobicContact CG-CG 4.33Å; Y147-P494 HydrophobicContact CD2-CB 4.14Å; Y147-P494 HydrophobicContact CG-CB 4Å; L148-P494 HydrophobicContact CD2-CG 3.8Å; L148-P494 HydrophobicContact CG-CG 3.83Å; R487-P494 WeakPolarHBondContact O-CA 3.39Å; Y488-P494 HydrophobicContact CD2-CB 4.48Å
495	V	96.8	Very high	97	Very high	54 Å²	54	31.2 Å²	31.2	33%	0.327	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	131.8	-177.8	-179	0	0	0	0	110	Y486 R487 V491 V493 F497	Y486-V495 WeakPolarHBondContact CA-O 3.34Å; R487-V495 PolarHBondContact N-O 2.82Å; R487-V495 PolarHBondContact O-N 3.47Å; V491-V495 HydrophobicContact CB-CG2 4.38Å; V491-V495 HydrophobicContact CG1-CG2 4.26Å; V491-V495 HydrophobicContact CG2-CG2 4.21Å; V493-V495 PolarHBondContact O-N 3.02Å; V495-F497 HydrophobicContact CB-CE2 4.01Å; V495-F497 HydrophobicContact CG1-CD2 4.28Å; V495-F497 HydrophobicContact CG1-CE2 3.78Å; V495-F497 HydrophobicContact CG1-CZ 4.27Å
496	R	97.6	Very high	97	Very high	128 Å²	128	34.1 Å²	34.1	48%	0.483	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	128.3	173	-175.7	176.8	170.3	-176.3	-5.2	110.5	D484 Y486	D484-R496 IonicContact OD2-CZ 2.62Å; D484-R496 IonicContact OD2-NE 3.8Å; D484-R496 PolarHBondContact OD2-NE 2.88Å; D484-R496 IonicContact OD2-NH2 3.37Å; D484-R496 PolarHBondContact OD2-NH2 3.49Å; Y486-R496 HydrophobicContact CD1-CB 3.9Å; Y486-R496 HydrophobicContact CD1-CG 4.43Å; Y486-R496 HydrophobicContact CE1-CB 3.51Å; Y486-R496 HydrophobicContact CE1-CG 3.83Å
497	F	97.3	Very high	96.9	Very high	46 Å²	46	35.1 Å²	35.1	20%	0.202	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	113.8	167.6	-70.9	-99.1	0	0	0	108	H468 D484 T485 R487 V495	H468-F497 AromaticContact ND1-CE1 3.98Å; D484-F497 WeakPolarHBondContact CA-O 3.4Å; T485-F497 PolarHBondContact N-O 3Å; T485-F497 PolarHBondContact O-N 3.33Å; R487-F497 HydrophobicContact CB-CE2 4.28Å; R487-F497 HydrophobicContact CG-CD2 4.19Å; R487-F497 HydrophobicContact CG-CE2 4.32Å; R487-F497 VanDerWaalsContact NH1-CD1 3.33Å; R487-F497 VanDerWaalsContact NH1-CG 3.32Å; V495-F497 HydrophobicContact CB-CE2 4.01Å; V495-F497 HydrophobicContact CG1-CD2 4.28Å; V495-F497 HydrophobicContact CG1-CE2 3.78Å; V495-F497 HydrophobicContact CG1-CZ 4.27Å
498	R	97.6	Very high	96.9	Very high	149 Å²	149	37.6 Å²	37.6	56%	0.562	18%	0.181	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-75.2	143.5	-177.1	-64.8	179.2	-177.3	177.5	1	110.3	E469 D484 S500	E469-R498 WeakPolarHBondContact CA-O 3.33Å; E469-R498 VanDerWaalsContact CB-O 3.26Å; E469-R498 WeakPolarHBondContact CB-O 3.48Å; D484-R498 VanDerWaalsContact OD1-CA 3.24Å; D484-R498 WeakPolarHBondContact OD1-CA 3.4Å; R498-S500 PolarHBondContact O-N 2.84Å
499	N	97.9	Very high	96.8	Very high	41 Å²	41	40.9 Å²	40.9	22%	0.219	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	48.5	34.4	171.2	-54.2	-50.3	0	0	0	113.3	E469 L470 Y482 V483 D484 I501	E469-N499 HydrophobicContact CG-CB 4.2Å; E469-N499 PolarHBondContact OE1-ND2 3.23Å; L470-N499 WeakPolarHBondContact CB-O 3.2Å; L470-N499 WeakPolarHBondContact CG-O 3.39Å; L470-N499 PolarHBondContact N-O 3.41Å; Y482-N499 WeakPolarHBondContact CB-OD1 3.39Å; Y482-N499 HydrophobicContact CD1-CB 3.73Å; Y482-N499 HydrophobicContact CG-CB 4.12Å; V483-N499 CarbonylContact O-C 3.39Å; D484-N499 PolarHBondContact OD1-N 2.89Å; N499-I501 PolarHBondContact O-N 3.14Å
500	S	97.8	Very high	96.8	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	-17.2	-174.4	52	0	0	0	0	112.7	H468 V483 T485 R498 T536	H468-S500 WeakPolarHBondContact O-CA 3.28Å; V483-S500 PolarHBondContact O-N 3.48Å; V483-S500 VanDerWaalsContact O-N 3.09Å; V483-S500 PolarHBondContact O-OG 3.48Å; T485-S500 WeakPolarHBondContact CB-OG 3.39Å; T485-S500 VanDerWaalsContact CG2-OG 3.25Å; T485-S500 WeakPolarHBondContact CG2-OG 3.41Å; T485-S500 PolarHBondContact N-OG 2.52Å; T485-S500 PolarHBondContact OG1-OG 3.24Å; R498-S500 PolarHBondContact O-N 2.84Å; S500-T536 PolarHBondContact O-OG1 3.4Å; S500-T536 VanDerWaalsContact O-OG1 3.09Å
501	I	98.7	Very high	96.9	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	144.8	174	-72.6	166.1	0	0	0	108.1	F411 L413 Y482 V483 T485 N499 I503 F534 R535	F411-I501 HydrophobicContact CD2-CD1 4.29Å; F411-I501 HydrophobicContact CE2-CD1 4.09Å; L413-I501 HydrophobicContact CB-CD1 4.24Å; L413-I501 HydrophobicContact CD2-CD1 4.46Å; Y482-I501 CarbonylContact C-O 3.53Å; Y482-I501 VanDerWaalsContact CA-O 3.27Å; Y482-I501 WeakPolarHBondContact CA-O 3.3Å; V483-I501 HydrophobicContact CB-CB 4.01Å; V483-I501 HydrophobicContact CB-CG2 4.04Å; V483-I501 HydrophobicContact CG2-CG2 4.33Å; V483-I501 PolarHBondContact N-O 3.23Å; V483-I501 PolarHBondContact O-N 3.46Å; V483-I501 VanDerWaalsContact O-N 3.17Å; T485-I501 HydrophobicContact CG2-CD1 3.63Å; T485-I501 HydrophobicContact CG2-CG1 4.28Å; N499-I501 PolarHBondContact O-N 3.14Å; I501-I503 HydrophobicContact CG2-CD1 4.36Å; I501-I503 HydrophobicContact CG2-CG1 4.2Å; I501-F534 HydrophobicContact CB-CE2 4.46Å; I501-F534 HydrophobicContact CD1-CE2 4.09Å; I501-F534 HydrophobicContact CD1-CZ 4.43Å; I501-F534 HydrophobicContact CG1-CE2 4.23Å; I501-F534 HydrophobicContact CG2-CD2 3.8Å; I501-F534 HydrophobicContact CG2-CE2 3.44Å; I501-F534 VanDerWaalsContact CG2-CE2 3.44Å; I501-R535 WeakPolarHBondContact CA-O 3.38Å
502	C	98.8	Very high	97	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	143.4	164.2	73.3	0	0	0	0	111.5	L470 C476 A480 D481 Y482 R535	L470-C502 HydrophobicContact CD1-CB 3.85Å; C476-C502 HydrophobicContact CB-CB 3.74Å; C476-C502 WeakPolarHBondContact CB-SG 3.43Å; C476-C502 WeakPolarHBondContact SG-CB 3.23Å; C476-C502 CovalentContact SG-SG 2.01Å; C476-C502 PolarHBondContact SG-SG 2.92Å; A480-C502 HydrophobicContact CB-CB 4.26Å; D481-C502 CarbonylContact O-C 3.6Å; D481-C502 VanDerWaalsContact O-CA 3.23Å; D481-C502 WeakPolarHBondContact O-CA 3.43Å; Y482-C502 HydrophobicContact CD1-CB 3.76Å; Y482-C502 HydrophobicContact CE1-CB 3.7Å; Y482-C502 HydrophobicContact CG-CB 4.32Å; C502-R535 PolarHBondContact N-O 3.33Å; C502-R535 PolarHBondContact O-N 3.17Å
503	I	98.9	Very high	97.2	Very high	0 Å²	0	57 Å²	57	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	128	177.7	-64.2	162.9	0	0	0	107.9	Y395 I397 V402 F411 D481 V483 I501 L532 V533 F534	Y395-I503 HydrophobicContact CD2-CG2 4.1Å; Y395-I503 HydrophobicContact CE2-CG2 3.91Å; Y395-I503 PolarHBondContact OH-O 2.94Å; Y395-I503 VanDerWaalsContact OH-O 3.09Å; I397-I503 HydrophobicContact CD1-CB 3.74Å; I397-I503 HydrophobicContact CD1-CD1 3.63Å; I397-I503 HydrophobicContact CD1-CG1 4.26Å; I397-I503 HydrophobicContact CD1-CG2 3.87Å; I397-I503 HydrophobicContact CG1-CD1 4.17Å; I397-I503 HydrophobicContact CG1-CG2 4.4Å; V402-I503 HydrophobicContact CG2-CD1 4Å; F411-I503 HydrophobicContact CD1-CD1 4.42Å; F411-I503 HydrophobicContact CE1-CD1 4Å; F411-I503 HydrophobicContact CZ-CD1 4.25Å; D481-I503 PolarHBondContact N-O 2.79Å; D481-I503 PolarHBondContact O-N 2.98Å; V483-I503 HydrophobicContact CG2-CD1 4.44Å; I501-I503 HydrophobicContact CG2-CD1 4.36Å; I501-I503 HydrophobicContact CG2-CG1 4.2Å; I503-L532 HydrophobicContact CG2-CD1 3.89Å; I503-L532 HydrophobicContact CG2-CD2 4.33Å; I503-L532 HydrophobicContact CG2-CG 4.28Å; I503-V533 WeakPolarHBondContact CA-O 3.5Å; I503-F534 HydrophobicContact CD1-CD2 4.05Å; I503-F534 HydrophobicContact CG1-CB 4.39Å; I503-F534 HydrophobicContact CG1-CD2 3.7Å; I503-F534 HydrophobicContact CG1-CG 4.5Å
504	F	98.6	Very high	97.3	Very high	5 Å²	5	60.2 Å²	60.2	2%	0.022	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	152.1	-178.9	60.3	-82.3	0	0	0	111.8	C476 P477 A480 H506 L532 V533	C476-F504 HydrophobicContact CB-CD1 4.14Å; C476-F504 HydrophobicContact CB-CE1 3.96Å; P477-F504 HydrophobicContact CG-CD2 3.53Å; P477-F504 HydrophobicContact CG-CE2 3.68Å; P477-F504 HydrophobicContact CG-CG 4.01Å; P477-F504 HydrophobicContact CG-CZ 4.28Å; A480-F504 HydrophobicContact CB-CB 3.78Å; A480-F504 HydrophobicContact CB-CD1 4.15Å; A480-F504 HydrophobicContact CB-CG 4.29Å; F504-H506 HydrophobicContact CD2-CB 4.09Å; F504-H506 HydrophobicContact CE2-CB 3.91Å; F504-L532 CarbonylContact O-C 3.57Å; F504-L532 WeakPolarHBondContact O-CA 3.36Å; F504-V533 HydrophobicContact CD1-CB 4.25Å; F504-V533 HydrophobicContact CD2-CB 4.27Å; F504-V533 HydrophobicContact CD2-CG2 4.41Å; F504-V533 HydrophobicContact CE1-CB 3.8Å; F504-V533 HydrophobicContact CE1-CG1 3.81Å; F504-V533 HydrophobicContact CE2-CB 3.85Å; F504-V533 HydrophobicContact CE2-CG1 4.39Å; F504-V533 HydrophobicContact CE2-CG2 3.82Å; F504-V533 HydrophobicContact CG-CB 4.48Å; F504-V533 HydrophobicContact CZ-CB 3.59Å; F504-V533 HydrophobicContact CZ-CG1 3.67Å; F504-V533 HydrophobicContact CZ-CG2 3.94Å; F504-V533 PolarHBondContact N-O 3.19Å; F504-V533 PolarHBondContact O-N 2.51Å
505	E	98.2	Very high	97.4	Very high	10 Å²	10	65.6 Å²	65.6	5%	0.047	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	143.1	164.5	161.6	175.4	-123.7	0	0	109	Q387 Y389 R394 Y395 Y404 A531	Q387-E505 PolarHBondContact NE2-O 3.09Å; Y389-E505 HydrophobicContact CE1-CB 4.04Å; Y389-E505 PolarHBondContact OH-N 2.74Å; Y389-E505 VanDerWaalsContact OH-N 3.12Å; Y389-E505 PolarHBondContact OH-O 3.4Å; R394-E505 IonicContact CZ-OE1 3.24Å; R394-E505 IonicContact CZ-OE2 2.99Å; R394-E505 VanDerWaalsContact NE-CD 3.34Å; R394-E505 IonicContact NE-OE1 2.97Å; R394-E505 PolarHBondContact NE-OE1 3.32Å; R394-E505 IonicContact NE-OE2 3.43Å; R394-E505 PolarHBondContact NE-OE2 3.36Å; R394-E505 IonicContact NH2-OE1 2.7Å; R394-E505 PolarHBondContact NH2-OE1 2.89Å; R394-E505 IonicContact NH2-OE2 3.3Å; Y395-E505 HydrophobicContact CD1-CB 4.09Å; Y395-E505 HydrophobicContact CE1-CB 4.12Å; Y404-E505 HydrophobicContact CE2-CB 4.5Å; Y404-E505 HydrophobicContact CE2-CG 4.41Å; Y404-E505 VanDerWaalsContact CE2-OE1 3.32Å; Y404-E505 WeakPolarHBondContact CE2-OE1 3.5Å; Y404-E505 PolarHBondContact OH-OE1 3.41Å; E505-A531 CarbonylContact C-O 3.59Å; E505-A531 WeakPolarHBondContact CA-O 3.49Å
506	H	97.5	Very high	97.4	Very high	70 Å²	70	68.3 Å²	68.3	32%	0.324	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	138	179.7	-167.2	54.2	0	0	0	110.7	Q387 F504 M508 S530 A531 V533	Q387-H506 PolarHBondContact OE1-ND1 3.18Å; F504-H506 HydrophobicContact CD2-CB 4.09Å; F504-H506 HydrophobicContact CE2-CB 3.91Å; H506-M508 HydrophobicContact CB-SD 4.46Å; H506-S530 CarbonylContact O-C 3.52Å; H506-S530 WeakPolarHBondContact O-CA 3.36Å; H506-A531 PolarHBondContact N-O 2.85Å; H506-A531 PolarHBondContact O-N 2.68Å; H506-V533 HydrophobicContact CB-CG2 4.31Å
507	N	96.3	Very high	97.4	Very high	80 Å²	80	63 Å²	63	43%	0.428	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	119	168.7	-177.4	-30.4	0	0	0	108.5	G509	N507-G509 PolarHBondContact O-N 2.93Å; N507-G509 VanDerWaalsContact O-N 3.1Å; N507-G509 PolarHBondContact OD1-N 3.06Å
508	M	96	Very high	97.2	Very high	56 Å²	56	65.7 Å²	65.7	28%	0.276	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	1	-172.4	-55.1	-55	-64.3	0	0	113.8	H506 Q510 N529 A531 Y552	H506-M508 HydrophobicContact CB-SD 4.46Å; M508-Q510 HydrophobicContact CB-CG 4.34Å; M508-Q510 PolarHBondContact O-N 2.85Å; M508-Q510 VanDerWaalsContact O-N 3.09Å; M508-N529 HydrophobicContact CB-CB 4.07Å; M508-N529 HydrophobicContact CG-CB 4.31Å; M508-N529 PolarHBondContact N-O 2.76Å; M508-A531 HydrophobicContact CG-CB 4.38Å; M508-A531 HydrophobicContact SD-CB 4.04Å; M508-Y552 HydrophobicContact CE-CE1 4.16Å; M508-Y552 HydrophobicContact CG-CE1 4.27Å; M508-Y552 HydrophobicContact SD-CE1 4.42Å
509	G	95	Very high	96.7	Very high	74 Å²	74	66.2 Å²	66.2	76%	0.763	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	71.5	1.8	177.2	0	0	0	0	0	114.9	N507	N507-G509 PolarHBondContact O-N 2.93Å; N507-G509 VanDerWaalsContact O-N 3.1Å; N507-G509 PolarHBondContact OD1-N 3.06Å
510	Q	96.2	Very high	96.5	Very high	124 Å²	124	73.6 Å²	73.6	58%	0.579	36%	0.361	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.2	149.8	176.8	62.2	-175.4	12.7	0	0	110.2	M508 N529	M508-Q510 HydrophobicContact CB-CG 4.34Å; M508-Q510 PolarHBondContact O-N 2.85Å; M508-Q510 VanDerWaalsContact O-N 3.09Å; Q510-N529 WeakPolarHBondContact O-CB 3.42Å; Q510-N529 PolarHBondContact O-N 2.93Å
511	P	97.1	Very high	96	Very high	69 Å²	69	80.3 Å²	80.3	45%	0.448	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	143.9	175.2	28.5	-33.4	0	0	0	110.4	R513 R514 M527	P511-R513 VanDerWaalsContact C-N 3.27Å; P511-R514 HydrophobicContact CB-CB 4.4Å; P511-R514 HydrophobicContact CB-CG 4.4Å; P511-R514 HydrophobicContact CG-CB 4.49Å; P511-R514 HydrophobicContact CG-CG 3.95Å; P511-M527 CarbonylContact C-O 3.58Å; P511-M527 WeakPolarHBondContact CA-O 3.34Å
512	L	96.9	Very high	95.8	Very high	53 Å²	53	87.3 Å²	87.3	28%	0.277	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	-39.6	172.7	179.1	63.4	0	0	0	109.8	M527 N529 Q553	L512-M527 HydrophobicContact CB-CG 4.41Å; L512-M527 HydrophobicContact CD2-CG 4.34Å; L512-M527 HydrophobicContact CD2-SD 3.77Å; L512-M527 PolarHBondContact N-O 3.19Å; L512-N529 HydrophobicContact CB-CB 3.98Å; L512-Q553 HydrophobicContact CD2-CB 3.93Å
513	R	97.9	Very high	95.6	Very high	146 Å²	146	90.5 Å²	90.5	55%	0.551	45%	0.452	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-155.5	149.1	171.6	56.4	179.3	-179.4	80	0.3	109.3	P511 G526 M527	P511-R513 VanDerWaalsContact C-N 3.27Å; R513-G526 CarbonylContact O-C 3.56Å; R513-G526 WeakPolarHBondContact O-CA 3.27Å; R513-M527 HydrophobicContact CG-CB 4.02Å; R513-M527 PolarHBondContact O-N 2.76Å
514	R	97.3	Very high	95.6	Very high	147 Å²	147	97.3 Å²	97.3	56%	0.555	48%	0.478	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-150.8	152	167.1	60.9	140.2	-71.1	-159.7	-2.2	111	P511 Y524 G525	P511-R514 HydrophobicContact CB-CB 4.4Å; P511-R514 HydrophobicContact CB-CG 4.4Å; P511-R514 HydrophobicContact CG-CB 4.49Å; P511-R514 HydrophobicContact CG-CG 3.95Å; R514-Y524 HydrophobicContact CB-CE2 4.13Å; R514-G525 CarbonylContact C-O 3.52Å; R514-G525 VanDerWaalsContact CA-O 3.26Å; R514-G525 WeakPolarHBondContact CA-O 3.44Å
515	H	97.2	Very high	95.5	Very high	125 Å²	125	98.7 Å²	98.7	58%	0.579	49%	0.494	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-145.4	141.6	169.7	-175.7	70.9	0	0	0	109.3	Y524 G525	H515-Y524 WeakPolarHBondContact O-CA 3.2Å; H515-Y524 VanDerWaalsContact O-CD2 3.27Å; H515-Y524 WeakPolarHBondContact O-CD2 3.14Å; H515-G525 PolarHBondContact N-O 3.2Å; H515-G525 PolarHBondContact O-N 2.77Å
516	F	97.1	Very high	95.4	Very high	112 Å²	112	99.9 Å²	99.9	49%	0.491	51%	0.509	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	117.6	170.8	-172.3	-88.7	0	0	0	106	D518 Y524	F516-D518 HydrophobicContact CD1-CB 4.23Å; F516-D518 HydrophobicContact CE1-CB 3.93Å; F516-Y524 HydrophobicContact CB-CD2 4.42Å; F516-Y524 HydrophobicContact CD2-CD2 4.16Å
517	A	96.5	Very high	95.4	Very high	16 Å²	16	100.2 Å²	100.2	13%	0.132	51%	0.512	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	127	173.8	0	0	0	0	0	107.9	H521 N522 S523	A517-H521 CarbonylContact C-O 3.47Å; A517-H521 WeakPolarHBondContact CB-O 3.21Å; A517-N522 WeakPolarHBondContact O-CA 3.36Å; A517-S523 PolarHBondContact N-O 3Å; A517-S523 PolarHBondContact O-N 2.73Å
518	D	94.9	Very high	95.4	Very high	103 Å²	103	100.6 Å²	100.6	55%	0.551	52%	0.517	S	S	*	.			trans	-123.7	-22.7	174.4	56.7	-3.8	0	0	0	112.2	F516 N522	F516-D518 HydrophobicContact CD1-CB 4.23Å; F516-D518 HydrophobicContact CE1-CB 3.93Å; D518-N522 PolarHBondContact O-OD1 3.08Å
519	F	87.2	Confident	95.4	Very high	160 Å²	160	98.3 Å²	98.3	70%	0.702	51%	0.506	S	S	*	.	S	Bend	trans	-84.5	126.4	169.2	-92.5	-94.3	0	0	0	111.6	H521	F519-H521 PolarHBondContact O-N 2.61Å
520	F	91.9	Very high	95.5	Very high	195 Å²	195	95.3 Å²	95.3	86%	0.855	47%	0.473	S	S	*	.	S	Bend	trans	64.1	-31.9	179.6	-49.1	-73.4	0	0	0	116.3
521	H	87.5	Confident	95.6	Very high	142 Å²	142	89.4 Å²	89.4	66%	0.657	45%	0.446	S	S	*	.	S	Bend	trans	-138.8	124.5	177.1	-63.9	-64.9	0	0	0	110.9	A517 F519 S523	A517-H521 CarbonylContact C-O 3.47Å; A517-H521 WeakPolarHBondContact CB-O 3.21Å; F519-H521 PolarHBondContact O-N 2.61Å; H521-S523 PolarHBondContact O-N 2.62Å
522	N	94.1	Very high	95.7	Very high	147 Å²	147	86.1 Å²	86.1	79%	0.786	42%	0.424	S	S	*	.			trans	-87.6	93.1	175.9	-74.4	-23.7	0	0	0	110.8	A517 D518	A517-N522 WeakPolarHBondContact O-CA 3.36Å; D518-N522 PolarHBondContact O-OD1 3.08Å
523	S	96.6	Very high	95.8	Very high	66 Å²	66	83.9 Å²	83.9	46%	0.462	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	154.5	-178.2	66.4	0	0	0	0	113.6	A517 H521	A517-S523 PolarHBondContact N-O 3Å; A517-S523 PolarHBondContact O-N 2.73Å; H521-S523 PolarHBondContact O-N 2.62Å
524	Y	97.1	Very high	95.8	Very high	143 Å²	143	76.9 Å²	76.9	56%	0.561	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.8	137.1	172.7	171.5	-97.6	0	0	0	110.5	R514 H515 F516	R514-Y524 HydrophobicContact CB-CE2 4.13Å; H515-Y524 WeakPolarHBondContact O-CA 3.2Å; H515-Y524 VanDerWaalsContact O-CD2 3.27Å; H515-Y524 WeakPolarHBondContact O-CD2 3.14Å; F516-Y524 HydrophobicContact CB-CD2 4.42Å; F516-Y524 HydrophobicContact CD2-CD2 4.16Å
525	G	97	Very high	95.9	Very high	34 Å²	34	71.6 Å²	71.6	35%	0.351	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	134.1	170	0	0	0	0	0	110.7	R514 H515	R514-G525 CarbonylContact C-O 3.52Å; R514-G525 VanDerWaalsContact CA-O 3.26Å; R514-G525 WeakPolarHBondContact CA-O 3.44Å; H515-G525 PolarHBondContact N-O 3.2Å; H515-G525 PolarHBondContact O-N 2.77Å
526	G	96.8	Very high	95.9	Very high	36 Å²	36	65.7 Å²	65.7	37%	0.371	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	164.1	-178.2	0	0	0	0	0	113.3	R513	R513-G526 CarbonylContact O-C 3.56Å; R513-G526 WeakPolarHBondContact O-CA 3.27Å
527	M	97	Very high	96	Very high	77 Å²	77	61.2 Å²	61.2	38%	0.379	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	130.9	174.1	-178.2	172.7	-82.9	0	0	109.1	P511 L512 R513	P511-M527 CarbonylContact C-O 3.58Å; P511-M527 WeakPolarHBondContact CA-O 3.34Å; L512-M527 HydrophobicContact CB-CG 4.41Å; L512-M527 HydrophobicContact CD2-CG 4.34Å; L512-M527 HydrophobicContact CD2-SD 3.77Å; L512-M527 PolarHBondContact N-O 3.19Å; R513-M527 HydrophobicContact CG-CB 4.02Å; R513-M527 PolarHBondContact O-N 2.76Å
528	V	95.9	Very high	96.1	Very high	87 Å²	87	60.4 Å²	60.4	53%	0.527	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	141.6	174.8	178.6	0	0	0	0	109.5	Q553	V528-Q553 PolarHBondContact O-OE1 3.4Å; V528-Q553 VanDerWaalsContact O-OE1 3.11Å
529	N	96.7	Very high	96.2	Very high	9 Å²	9	56.8 Å²	56.8	5%	0.048	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	115.3	173.5	-166.9	-0.8	0	0	0	110.4	M508 Q510 L512	M508-N529 HydrophobicContact CB-CB 4.07Å; M508-N529 HydrophobicContact CG-CB 4.31Å; M508-N529 PolarHBondContact N-O 2.76Å; Q510-N529 WeakPolarHBondContact O-CB 3.42Å; Q510-N529 PolarHBondContact O-N 2.93Å; L512-N529 HydrophobicContact CB-CB 3.98Å
530	S	96.4	Very high	96.5	Very high	11 Å²	11	49.5 Å²	49.5	8%	0.077	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	145.2	168.5	-53.6	0	0	0	0	110.1	Y404 H506 Q553	Y404-S530 PolarHBondContact OH-O 3.37Å; H506-S530 CarbonylContact O-C 3.52Å; H506-S530 WeakPolarHBondContact O-CA 3.36Å; S530-Q553 WeakPolarHBondContact O-CG 3.34Å; S530-Q553 PolarHBondContact O-OE1 3.34Å
531	A	98.4	Very high	96.5	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	147.4	178.8	0	0	0	0	0	110.4	E505 H506 M508 I550 F551 Y552	E505-A531 CarbonylContact C-O 3.59Å; E505-A531 WeakPolarHBondContact CA-O 3.49Å; H506-A531 PolarHBondContact N-O 2.85Å; H506-A531 PolarHBondContact O-N 2.68Å; M508-A531 HydrophobicContact CG-CB 4.38Å; M508-A531 HydrophobicContact SD-CB 4.04Å; A531-I550 HydrophobicContact CB-CG2 3.57Å; A531-F551 WeakPolarHBondContact CA-O 3.3Å; A531-Y552 HydrophobicContact CB-CD1 3.7Å; A531-Y552 HydrophobicContact CB-CE1 3.9Å; A531-Y552 HydrophobicContact CB-CG 4.19Å
532	L	98.8	Very high	96.8	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	131.9	169.2	-176.1	87.9	0	0	0	109	Y395 V402 Y404 F409 I503 F504 I550 F551	Y395-L532 HydrophobicContact CD1-CD1 3.66Å; Y395-L532 HydrophobicContact CD2-CD1 3.99Å; Y395-L532 HydrophobicContact CE1-CD1 4.23Å; Y395-L532 HydrophobicContact CG-CD1 3.54Å; V402-L532 HydrophobicContact CG1-CD2 3.61Å; Y404-L532 HydrophobicContact CD1-CB 3.32Å; Y404-L532 HydrophobicContact CD1-CD2 4.4Å; Y404-L532 HydrophobicContact CD1-CG 4.34Å; Y404-L532 HydrophobicContact CD2-CB 4.18Å; Y404-L532 HydrophobicContact CD2-CD1 4.35Å; Y404-L532 HydrophobicContact CE1-CB 3.64Å; Y404-L532 HydrophobicContact CE2-CB 4.44Å; Y404-L532 HydrophobicContact CG-CB 3.62Å; Y404-L532 HydrophobicContact CG-CD1 4.22Å; Y404-L532 HydrophobicContact CG-CD2 4.23Å; Y404-L532 HydrophobicContact CG-CG 4.23Å; F409-L532 HydrophobicContact CE1-CD2 3.77Å; F409-L532 HydrophobicContact CZ-CD2 3.81Å; I503-L532 HydrophobicContact CG2-CD1 3.89Å; I503-L532 HydrophobicContact CG2-CD2 4.33Å; I503-L532 HydrophobicContact CG2-CG 4.28Å; F504-L532 CarbonylContact O-C 3.57Å; F504-L532 WeakPolarHBondContact O-CA 3.36Å; L532-I550 CarbonylContact O-C 3.49Å; L532-I550 WeakPolarHBondContact O-CA 3.31Å; L532-F551 HydrophobicContact CB-CB 4.35Å; L532-F551 HydrophobicContact CD2-CD2 4.33Å; L532-F551 PolarHBondContact N-O 3.49Å; L532-F551 PolarHBondContact O-N 3.31Å
533	V	98.9	Very high	96.9	Very high	5 Å²	5	29.1 Å²	29.1	3%	0.03	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	125.4	176.1	-175.3	0	0	0	0	108.4	I503 F504 H506 R535 D548 I550	I503-V533 WeakPolarHBondContact CA-O 3.5Å; F504-V533 HydrophobicContact CD1-CB 4.25Å; F504-V533 HydrophobicContact CD2-CB 4.27Å; F504-V533 HydrophobicContact CD2-CG2 4.41Å; F504-V533 HydrophobicContact CE1-CB 3.8Å; F504-V533 HydrophobicContact CE1-CG1 3.81Å; F504-V533 HydrophobicContact CE2-CB 3.85Å; F504-V533 HydrophobicContact CE2-CG1 4.39Å; F504-V533 HydrophobicContact CE2-CG2 3.82Å; F504-V533 HydrophobicContact CG-CB 4.48Å; F504-V533 HydrophobicContact CZ-CB 3.59Å; F504-V533 HydrophobicContact CZ-CG1 3.67Å; F504-V533 HydrophobicContact CZ-CG2 3.94Å; F504-V533 PolarHBondContact N-O 3.19Å; F504-V533 PolarHBondContact O-N 2.51Å; H506-V533 HydrophobicContact CB-CG2 4.31Å; V533-R535 HydrophobicContact CG1-CB 4.19Å; V533-D548 HydrophobicContact CG1-CB 4.36Å; V533-I550 HydrophobicContact CG1-CG1 4.5Å; V533-I550 HydrophobicContact CG2-CG1 4.38Å; V533-I550 HydrophobicContact CG2-CG2 4.29Å
534	F	98.8	Very high	97	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	117.6	165.3	165.7	-125.9	0	0	0	107.6	F411 M419 V421 I501 I503 F549 F551	F411-F534 HydrophobicContact CB-CD1 4.5Å; F411-F534 HydrophobicContact CB-CE1 3.82Å; F411-F534 HydrophobicContact CB-CE2 4.09Å; F411-F534 HydrophobicContact CB-CZ 3.61Å; F411-F534 AromaticContact CD2-CE2 3.72Å; F411-F534 HydrophobicContact CD2-CE2 3.72Å; F411-F534 AromaticContact CD2-CZ 3.75Å; F411-F534 HydrophobicContact CD2-CZ 3.75Å; F411-F534 HydrophobicContact CE2-CE2 4.37Å; F411-F534 AromaticContact CG-CE2 3.95Å; F411-F534 HydrophobicContact CG-CE2 3.95Å; F411-F534 AromaticContact CG-CZ 3.92Å; F411-F534 HydrophobicContact CG-CZ 3.92Å; M419-F534 HydrophobicContact CE-CD1 4.41Å; M419-F534 HydrophobicContact CG-CD1 3.93Å; M419-F534 HydrophobicContact CG-CE1 3.18Å; M419-F534 HydrophobicContact CG-CZ 3.64Å; M419-F534 HydrophobicContact SD-CD1 3.59Å; M419-F534 VanDerWaalsContact SD-CD1 3.59Å; M419-F534 HydrophobicContact SD-CE1 3.44Å; M419-F534 WeakPolarHBondContact SD-CE1 3.33Å; M419-F534 HydrophobicContact SD-CE2 4.46Å; M419-F534 HydrophobicContact SD-CG 4.19Å; M419-F534 HydrophobicContact SD-CZ 3.9Å; V421-F534 HydrophobicContact CG1-CD1 3.73Å; V421-F534 HydrophobicContact CG1-CE1 3.74Å; I501-F534 HydrophobicContact CB-CE2 4.46Å; I501-F534 HydrophobicContact CD1-CE2 4.09Å; I501-F534 HydrophobicContact CD1-CZ 4.43Å; I501-F534 HydrophobicContact CG1-CE2 4.23Å; I501-F534 HydrophobicContact CG2-CD2 3.8Å; I501-F534 HydrophobicContact CG2-CE2 3.44Å; I501-F534 VanDerWaalsContact CG2-CE2 3.44Å; I503-F534 HydrophobicContact CD1-CD2 4.05Å; I503-F534 HydrophobicContact CG1-CB 4.39Å; I503-F534 HydrophobicContact CG1-CD2 3.7Å; I503-F534 HydrophobicContact CG1-CG 4.5Å; F534-F549 HydrophobicContact CD1-CB 4.32Å; F534-F549 AromaticContact CD1-CD2 3.9Å; F534-F549 HydrophobicContact CD1-CD2 3.9Å; F534-F549 HydrophobicContact CE1-CD2 4.19Å; F534-F549 PolarHBondContact N-O 2.8Å; F534-F549 PolarHBondContact O-N 2.95Å; F534-F551 HydrophobicContact CB-CE2 4.46Å
535	R	98.8	Very high	97.1	Very high	36 Å²	36	21.6 Å²	21.6	14%	0.136	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	143.7	-168.6	171.7	176.6	-65.9	174.4	-2.8	112.9	D475 I501 C502 V533 M546 W547 D548	D475-R535 PolarHBondContact O-NH1 2.91Å; I501-R535 WeakPolarHBondContact CA-O 3.38Å; C502-R535 PolarHBondContact N-O 3.33Å; C502-R535 PolarHBondContact O-N 3.17Å; V533-R535 HydrophobicContact CG1-CB 4.19Å; R535-M546 HydrophobicContact CG-CG 4.22Å; R535-M546 PolarHBondContact NE-SD 3.39Å; R535-W547 VanDerWaalsContact CA-O 3.28Å; R535-W547 WeakPolarHBondContact CA-O 3.38Å; R535-D548 VanDerWaalsContact CB-OD1 3.31Å; R535-D548 WeakPolarHBondContact CB-OD1 3.41Å; R535-D548 WeakPolarHBondContact CG-OD1 3.31Å; R535-D548 IonicContact CZ-OD1 3.39Å; R535-D548 IonicContact CZ-OD2 2.82Å; R535-D548 IonicContact NE-OD1 4Å; R535-D548 PolarHBondContact NE-OD1 2.9Å; R535-D548 IonicContact NE-OD2 3.31Å; R535-D548 IonicContact NH2-OD1 3.87Å; R535-D548 PolarHBondContact NH2-OD1 2.69Å; R535-D548 IonicContact NH2-OD2 3.6Å; R535-D548 PolarHBondContact NH2-OD2 2.85Å
536	T	98.6	Very high	97.1	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	153.3	160.1	-174.9	0	0	0	0	109.6	L413 M419 A467 S500 W547	L413-T536 HydrophobicContact CD1-CG2 3.92Å; M419-T536 HydrophobicContact CB-CG2 3.93Å; M419-T536 HydrophobicContact CG-CG2 4.3Å; M419-T536 HydrophobicContact SD-CG2 3.9Å; A467-T536 WeakPolarHBondContact CB-OG1 3.43Å; S500-T536 PolarHBondContact O-OG1 3.4Å; S500-T536 VanDerWaalsContact O-OG1 3.09Å; T536-W547 HydrophobicContact CG2-CB 3.94Å; T536-W547 HydrophobicContact CG2-CG 4.26Å; T536-W547 PolarHBondContact N-O 2.62Å; T536-W547 VanDerWaalsContact N-O 3.14Å; T536-W547 PolarHBondContact O-N 2.79Å
537	I	98.6	Very high	97.2	Very high	18 Å²	18	20.1 Å²	20.1	9%	0.092	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	128.3	170.5	-58.3	-179.9	0	0	0	108.3	A467 L470 D475 D544 Y545 M546	A467-I537 WeakPolarHBondContact CA-O 3.32Å; L470-I537 HydrophobicContact CD2-CB 3.63Å; L470-I537 HydrophobicContact CD2-CD1 3.85Å; L470-I537 HydrophobicContact CD2-CG1 3.6Å; D475-I537 HydrophobicContact CB-CD1 3.7Å; I537-D544 HydrophobicContact CG2-CB 4.23Å; I537-Y545 CarbonylContact C-O 3.48Å; I537-Y545 VanDerWaalsContact CA-O 3.28Å; I537-Y545 WeakPolarHBondContact CA-O 3.41Å; I537-M546 HydrophobicContact CD1-CB 4.37Å; I537-M546 HydrophobicContact CD1-CG 4.25Å; I537-M546 HydrophobicContact CD1-SD 4.43Å; I537-M546 HydrophobicContact CG1-CB 3.98Å; I537-M546 HydrophobicContact CG1-CG 3.94Å
538	T	98.1	Very high	97.3	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	118.1	178.9	59.5	0	0	0	0	110.4	I463 F466 A467 Y545 W547	I463-T538 HydrophobicContact CG2-CG2 3.93Å; I463-T538 WeakPolarHBondContact O-CB 3.41Å; I463-T538 WeakPolarHBondContact O-CG2 3.48Å; F466-T538 CarbonylContact O-C 3.55Å; F466-T538 VanDerWaalsContact O-CA 3.28Å; F466-T538 WeakPolarHBondContact O-CA 3.2Å; A467-T538 HydrophobicContact CB-CG2 3.96Å; T538-Y545 PolarHBondContact N-O 2.88Å; T538-Y545 PolarHBondContact O-N 2.65Å; T538-W547 PolarHBondContact OG1-NE1 2.81Å
539	A	96.7	Very high	97.4	Very high	26 Å²	26	12.6 Å²	12.6	22%	0.215	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	88.3	-178.2	0	0	0	0	0	111	F466 Y543 D544	F466-A539 WeakPolarHBondContact CB-O 3.47Å; F466-A539 WeakPolarHBondContact CD1-O 3.26Å; F466-A539 PolarHBondContact O-N 3.37Å; A539-Y543 CarbonylContact C-O 3.59Å; A539-Y543 VanDerWaalsContact CA-O 3.26Å; A539-Y543 WeakPolarHBondContact CA-O 3.49Å; A539-D544 WeakPolarHBondContact CB-OD1 3.13Å
540	I	94.1	Very high	97.5	Very high	8 Å²	8	12.6 Å²	12.6	4%	0.041	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	99.9	-173.9	-48.2	178.1	0	0	0	108.5	D458 I461 I463 F466 N542 Y543 Y545	D458-I540 HydrophobicContact CB-CD1 3.75Å; I461-I540 HydrophobicContact CD1-CG2 4.08Å; I463-I540 HydrophobicContact CB-CD1 4.25Å; I463-I540 HydrophobicContact CG1-CD1 3.98Å; I463-I540 HydrophobicContact CG2-CD1 4.43Å; F466-I540 HydrophobicContact CB-CG1 3.97Å; F466-I540 HydrophobicContact CD2-CB 4.3Å; F466-I540 HydrophobicContact CD2-CG1 3.86Å; F466-I540 HydrophobicContact CD2-CG2 4.08Å; F466-I540 HydrophobicContact CE2-CG2 4.22Å; F466-I540 HydrophobicContact CG-CG1 4.18Å; I540-N542 PolarHBondContact O-N 2.83Å; I540-Y543 PolarHBondContact N-O 3Å; I540-Y543 PolarHBondContact O-N 2.94Å; I540-Y543 VanDerWaalsContact O-N 3.15Å; I540-Y545 HydrophobicContact CD1-CD2 4.33Å; I540-Y545 HydrophobicContact CD1-CE2 4.48Å
541	G	91	Very high	97.6	Very high	40 Å²	40	12 Å²	12	41%	0.412	7%	0.073	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.1	-113.5	-175.3	0	0	0	0	0	110.9	Y313	Y313-G541 VanDerWaalsContact CZ-C 3.45Å; Y313-G541 WeakPolarHBondContact OH-CA 3.5Å; Y313-G541 PolarHBondContact OH-O 3Å; Y313-G541 VanDerWaalsContact OH-O 3.1Å
542	N	94.8	Very high	97.6	Very high	5 Å²	5	13.7 Å²	13.7	3%	0.027	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-23.8	-177.8	63.3	-76.2	0	0	0	114.1	Y313 I540 Y566 S568	Y313-N542 HydrophobicContact CD1-CB 3.59Å; Y313-N542 HydrophobicContact CD2-CB 3.62Å; Y313-N542 HydrophobicContact CE1-CB 3.81Å; Y313-N542 VanDerWaalsContact CE2-CA 3.5Å; Y313-N542 HydrophobicContact CE2-CB 3.86Å; Y313-N542 HydrophobicContact CG-CB 3.47Å; Y313-N542 VanDerWaalsContact CG-CB 3.47Å; I540-N542 PolarHBondContact O-N 2.83Å; N542-Y566 CarbonylContact C-O 3.53Å; N542-Y566 WeakPolarHBondContact CB-O 3.48Å; N542-Y566 PolarHBondContact ND2-O 2.9Å; N542-Y566 WeakPolarHBondContact O-CA 3.33Å; N542-Y566 PolarHBondContact O-N 3.24Å; N542-S568 PolarHBondContact ND2-N 2.85Å
543	Y	96.2	Very high	97.5	Very high	11 Å²	11	15.9 Å²	15.9	4%	0.043	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	144.9	-172.9	-69.5	-60.5	0	0	0	113	Y444 A539 I540 H592 H594	Y444-Y543 WeakPolarHBondContact OH-CE2 3.33Å; Y444-Y543 VanDerWaalsContact OH-CZ 3.22Å; Y444-Y543 PolarHBondContact OH-OH 3.39Å; A539-Y543 CarbonylContact C-O 3.59Å; A539-Y543 VanDerWaalsContact CA-O 3.26Å; A539-Y543 WeakPolarHBondContact CA-O 3.49Å; I540-Y543 PolarHBondContact N-O 3Å; I540-Y543 PolarHBondContact O-N 2.94Å; I540-Y543 VanDerWaalsContact O-N 3.15Å; Y543-H592 PolarHBondContact OH-CD2 3.48Å; Y543-H592 VanDerWaalsContact OH-CD2 3.31Å; Y543-H592 PolarHBondContact OH-CE1 3.5Å; Y543-H592 PolarHBondContact OH-NE2 3.17Å; Y543-H594 AromaticContact CE1-CE1 3.75Å; Y543-H594 AromaticContact CE1-NE2 3.84Å; Y543-H594 AromaticContact CE2-CE1 3.9Å; Y543-H594 AromaticContact CZ-CE1 3.6Å; Y543-H594 AromaticContact CZ-NE2 3.84Å
544	D	98.1	Very high	97.4	Very high	50 Å²	50	18.7 Å²	18.7	27%	0.267	11%	0.11	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	108.5	165.5	-67.4	-97.2	0	0	0	108.3	I537 A539 T564 G565	I537-D544 HydrophobicContact CG2-CB 4.23Å; A539-D544 WeakPolarHBondContact CB-OD1 3.13Å; D544-T564 HydrophobicContact CB-CG2 3.69Å; D544-T564 PolarHBondContact N-O 2.81Å; D544-T564 PolarHBondContact O-N 3.32Å; D544-G565 VanDerWaalsContact OD2-CA 3.22Å; D544-G565 WeakPolarHBondContact OD2-CA 3.38Å
545	Y	98.3	Very high	97.3	Very high	1 Å²	1	18.9 Å²	18.9	0%	0.004	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	117.5	173.8	-62.4	-69.2	0	0	0	110.1	A440 D458 I537 T538 I540 W547 V561 H562 A563 H594	A440-Y545 HydrophobicContact CB-CE2 4.38Å; D458-Y545 WeakPolarHBondContact OD2-CE2 3.48Å; D458-Y545 PolarHBondContact OD2-OH 2.86Å; I537-Y545 CarbonylContact C-O 3.48Å; I537-Y545 VanDerWaalsContact CA-O 3.28Å; I537-Y545 WeakPolarHBondContact CA-O 3.41Å; T538-Y545 PolarHBondContact N-O 2.88Å; T538-Y545 PolarHBondContact O-N 2.65Å; I540-Y545 HydrophobicContact CD1-CD2 4.33Å; I540-Y545 HydrophobicContact CD1-CE2 4.48Å; Y545-W547 HydrophobicContact CD2-CZ2 4.27Å; Y545-W547 AromaticContact CG-CZ2 3.99Å; Y545-W547 HydrophobicContact CG-CZ2 3.99Å; Y545-W547 PolarHBondContact O-NE1 3.43Å; Y545-V561 HydrophobicContact CD1-CG2 4.2Å; Y545-H562 WeakPolarHBondContact CA-O 3.17Å; Y545-A563 HydrophobicContact CD1-CB 3.98Å; Y545-A563 HydrophobicContact CE1-CB 3.94Å; Y545-H594 AromaticContact CE1-CE1 3.91Å; Y545-H594 AromaticContact CE1-ND1 3.74Å; Y545-H594 AromaticContact CZ-ND1 3.89Å; Y545-H594 PolarHBondContact OH-CE1 3Å; Y545-H594 PolarHBondContact OH-ND1 3.03Å; Y545-H594 VanDerWaalsContact OH-ND1 3.14Å
546	M	98.5	Very high	97.3	Very high	38 Å²	38	20.1 Å²	20.1	19%	0.187	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	113.1	171.9	-179.8	175.5	71.3	0	0	109.4	R535 I537 V561 H562	R535-M546 HydrophobicContact CG-CG 4.22Å; R535-M546 PolarHBondContact NE-SD 3.39Å; I537-M546 HydrophobicContact CD1-CB 4.37Å; I537-M546 HydrophobicContact CD1-CG 4.25Å; I537-M546 HydrophobicContact CD1-SD 4.43Å; I537-M546 HydrophobicContact CG1-CB 3.98Å; I537-M546 HydrophobicContact CG1-CG 3.94Å; M546-V561 VanDerWaalsContact O-CA 3.32Å; M546-V561 WeakPolarHBondContact O-CA 3.47Å; M546-H562 HydrophobicContact CB-CB 4.29Å; M546-H562 HydrophobicContact CE-CB 3.84Å; M546-H562 PolarHBondContact N-O 3.13Å; M546-H562 PolarHBondContact O-N 3.47Å
547	W	98.6	Very high	97.3	Very high	1 Å²	1	22.2 Å²	22.2	0%	0.004	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	124.5	-177.5	-53.8	93.7	0	0	0	110	M419 V437 A440 I463 R535 T536 T538 Y545 V561 I596 F598	M419-W547 HydrophobicContact CE-CB 3.74Å; M419-W547 WeakPolarHBondContact CE-O 3.5Å; M419-W547 HydrophobicContact SD-CB 4.38Å; V437-W547 HydrophobicContact CG1-CE3 4.35Å; V437-W547 HydrophobicContact CG1-CH2 3.97Å; V437-W547 HydrophobicContact CG1-CZ2 4.48Å; V437-W547 HydrophobicContact CG1-CZ3 3.89Å; V437-W547 HydrophobicContact CG2-CD2 4.22Å; V437-W547 HydrophobicContact CG2-CE3 3.69Å; V437-W547 HydrophobicContact CG2-CZ3 3.97Å; A440-W547 HydrophobicContact CB-CH2 3.98Å; A440-W547 HydrophobicContact CB-CZ2 4.2Å; I463-W547 HydrophobicContact CG2-CZ2 4.15Å; R535-W547 VanDerWaalsContact CA-O 3.28Å; R535-W547 WeakPolarHBondContact CA-O 3.38Å; T536-W547 HydrophobicContact CG2-CB 3.94Å; T536-W547 HydrophobicContact CG2-CG 4.26Å; T536-W547 PolarHBondContact N-O 2.62Å; T536-W547 VanDerWaalsContact N-O 3.14Å; T536-W547 PolarHBondContact O-N 2.79Å; T538-W547 PolarHBondContact OG1-NE1 2.81Å; Y545-W547 HydrophobicContact CD2-CZ2 4.27Å; Y545-W547 AromaticContact CG-CZ2 3.99Å; Y545-W547 HydrophobicContact CG-CZ2 3.99Å; Y545-W547 PolarHBondContact O-NE1 3.43Å; W547-V561 HydrophobicContact CD2-CG2 4.09Å; W547-V561 HydrophobicContact CE3-CB 3.83Å; W547-V561 HydrophobicContact CE3-CG2 3.7Å; W547-V561 HydrophobicContact CH2-CG2 3.87Å; W547-V561 HydrophobicContact CZ2-CG2 4.24Å; W547-V561 HydrophobicContact CZ3-CB 3.82Å; W547-V561 HydrophobicContact CZ3-CG1 4.5Å; W547-V561 HydrophobicContact CZ3-CG2 3.6Å; W547-I596 HydrophobicContact CH2-CD1 4.05Å; W547-I596 HydrophobicContact CH2-CG2 3.9Å; W547-I596 HydrophobicContact CZ3-CG2 3.61Å; W547-F598 HydrophobicContact CE3-CE1 4.38Å; W547-F598 HydrophobicContact CE3-CZ 4.22Å; W547-F598 HydrophobicContact CZ3-CE1 4.36Å; W547-F598 AromaticContact CZ3-CZ 3.99Å; W547-F598 HydrophobicContact CZ3-CZ 3.99Å
548	D	98.8	Very high	97.3	Very high	4 Å²	4	23.6 Å²	23.6	2%	0.021	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	130.9	-180	-70.7	-23	0	0	0	111.4	V533 R535 I550 K560	V533-D548 HydrophobicContact CG1-CB 4.36Å; R535-D548 VanDerWaalsContact CB-OD1 3.31Å; R535-D548 WeakPolarHBondContact CB-OD1 3.41Å; R535-D548 WeakPolarHBondContact CG-OD1 3.31Å; R535-D548 IonicContact CZ-OD1 3.39Å; R535-D548 IonicContact CZ-OD2 2.82Å; R535-D548 IonicContact NE-OD1 4Å; R535-D548 PolarHBondContact NE-OD1 2.9Å; R535-D548 IonicContact NE-OD2 3.31Å; R535-D548 IonicContact NH2-OD1 3.87Å; R535-D548 PolarHBondContact NH2-OD1 2.69Å; R535-D548 IonicContact NH2-OD2 3.6Å; R535-D548 PolarHBondContact NH2-OD2 2.85Å; D548-I550 HydrophobicContact CB-CD1 4.18Å; D548-I550 HydrophobicContact CB-CG1 3.92Å; D548-K560 HydrophobicContact CB-CB 4.22Å; D548-K560 PolarHBondContact N-O 3.03Å; D548-K560 PolarHBondContact O-N 2.99Å
549	F	98.8	Very high	97.3	Very high	1 Å²	1	25.7 Å²	25.7	0%	0.004	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	120.2	154.8	-62.8	-26.7	0	0	0	109	M419 V421 I435 F534 F551 E558 A559 F598	M419-F549 HydrophobicContact CB-CE2 4.5Å; M419-F549 HydrophobicContact CE-CB 4.29Å; M419-F549 HydrophobicContact CE-CD1 3.74Å; M419-F549 HydrophobicContact CE-CD2 3.72Å; M419-F549 HydrophobicContact CE-CE1 3.91Å; M419-F549 HydrophobicContact CE-CE2 3.9Å; M419-F549 HydrophobicContact CE-CG 3.64Å; M419-F549 HydrophobicContact CE-CZ 3.99Å; M419-F549 HydrophobicContact CG-CD2 4.25Å; M419-F549 HydrophobicContact CG-CE2 3.97Å; M419-F549 HydrophobicContact SD-CD2 4.45Å; V421-F549 HydrophobicContact CB-CD2 4.22Å; V421-F549 HydrophobicContact CB-CE2 4.46Å; V421-F549 HydrophobicContact CG1-CD2 3.65Å; V421-F549 HydrophobicContact CG1-CE2 4.17Å; V421-F549 HydrophobicContact CG2-CD2 3.64Å; V421-F549 HydrophobicContact CG2-CE2 3.87Å; I435-F549 HydrophobicContact CG2-CE1 4.07Å; I435-F549 HydrophobicContact CG2-CZ 4.05Å; I435-F549 WeakPolarHBondContact O-CE2 3.14Å; F534-F549 HydrophobicContact CD1-CB 4.32Å; F534-F549 AromaticContact CD1-CD2 3.9Å; F534-F549 HydrophobicContact CD1-CD2 3.9Å; F534-F549 HydrophobicContact CE1-CD2 4.19Å; F534-F549 PolarHBondContact N-O 2.8Å; F534-F549 PolarHBondContact O-N 2.95Å; F549-F551 HydrophobicContact CB-CE2 3.94Å; F549-F551 HydrophobicContact CB-CZ 4.19Å; F549-E558 WeakPolarHBondContact CA-O 3.33Å; F549-A559 HydrophobicContact CD1-CB 3.87Å; F549-A559 HydrophobicContact CE1-CB 3.8Å; F549-F598 HydrophobicContact CE1-CD1 4.35Å; F549-F598 HydrophobicContact CE1-CE1 4.11Å
550	I	98.8	Very high	97.3	Very high	9 Å²	9	27.6 Å²	27.6	5%	0.046	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	121.6	-171.4	-48.5	174.5	0	0	0	109.5	A531 L532 V533 D548 Y552 V557 E558 K560	A531-I550 HydrophobicContact CB-CG2 3.57Å; L532-I550 CarbonylContact O-C 3.49Å; L532-I550 WeakPolarHBondContact O-CA 3.31Å; V533-I550 HydrophobicContact CG1-CG1 4.5Å; V533-I550 HydrophobicContact CG2-CG1 4.38Å; V533-I550 HydrophobicContact CG2-CG2 4.29Å; D548-I550 HydrophobicContact CB-CD1 4.18Å; D548-I550 HydrophobicContact CB-CG1 3.92Å; I550-Y552 HydrophobicContact CB-CE2 4.02Å; I550-Y552 HydrophobicContact CG2-CD2 4.2Å; I550-Y552 HydrophobicContact CG2-CE1 4.19Å; I550-Y552 HydrophobicContact CG2-CE2 3.63Å; I550-V557 CarbonylContact O-C 3.49Å; I550-V557 VanDerWaalsContact O-CA 3.31Å; I550-V557 WeakPolarHBondContact O-CA 3.44Å; I550-E558 HydrophobicContact CB-CB 4.25Å; I550-E558 PolarHBondContact N-O 3.4Å; I550-E558 PolarHBondContact O-N 3.35Å; I550-K560 HydrophobicContact CD1-CD 4.1Å
551	F	98.8	Very high	97.5	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	107.5	-175.3	-58.4	-92	0	0	0	110.2	Y404 W407 F409 V421 V424 A531 L532 F534 F549 V557	Y404-F551 WeakPolarHBondContact CE1-O 3.38Å; W407-F551 HydrophobicContact CD2-CB 3.96Å; W407-F551 AromaticContact CD2-CD1 3.9Å; W407-F551 HydrophobicContact CD2-CD1 3.9Å; W407-F551 HydrophobicContact CD2-CG 4.38Å; W407-F551 AromaticContact CE3-CD1 3.72Å; W407-F551 HydrophobicContact CE3-CD1 3.72Å; W407-F551 HydrophobicContact CE3-CE1 4.46Å; W407-F551 HydrophobicContact CG-CB 4.04Å; W407-F551 HydrophobicContact CG-CD1 4.47Å; W407-F551 HydrophobicContact CH2-CD1 4.36Å; W407-F551 HydrophobicContact CZ2-CB 4.36Å; W407-F551 AromaticContact CZ3-CD1 3.97Å; W407-F551 HydrophobicContact CZ3-CD1 3.97Å; F409-F551 HydrophobicContact CD1-CD1 4.24Å; F409-F551 AromaticContact CD1-CE1 3.81Å; F409-F551 HydrophobicContact CD1-CE1 3.81Å; F409-F551 HydrophobicContact CD1-CE2 4.13Å; F409-F551 AromaticContact CD1-CZ 3.74Å; F409-F551 HydrophobicContact CD1-CZ 3.74Å; F409-F551 HydrophobicContact CD2-CZ 4.1Å; F409-F551 HydrophobicContact CE1-CD1 4.21Å; F409-F551 AromaticContact CE1-CD2 3.75Å; F409-F551 HydrophobicContact CE1-CD2 3.75Å; F409-F551 AromaticContact CE1-CE1 3.98Å; F409-F551 HydrophobicContact CE1-CE1 3.98Å; F409-F551 AromaticContact CE1-CE2 3.51Å; F409-F551 HydrophobicContact CE1-CE2 3.51Å; F409-F551 HydrophobicContact CE1-CG 4.09Å; F409-F551 AromaticContact CE1-CZ 3.63Å; F409-F551 HydrophobicContact CE1-CZ 3.63Å; F409-F551 AromaticContact CE2-CE2 3.97Å; F409-F551 HydrophobicContact CE2-CE2 3.97Å; F409-F551 AromaticContact CE2-CZ 3.99Å; F409-F551 HydrophobicContact CE2-CZ 3.99Å; F409-F551 HydrophobicContact CG-CE1 4.24Å; F409-F551 AromaticContact CG-CZ 3.98Å; F409-F551 HydrophobicContact CG-CZ 3.98Å; F409-F551 AromaticContact CZ-CD2 3.95Å; F409-F551 HydrophobicContact CZ-CD2 3.95Å; F409-F551 AromaticContact CZ-CE2 3.41Å; F409-F551 HydrophobicContact CZ-CE2 3.41Å; F409-F551 VanDerWaalsContact CZ-CE2 3.41Å; F409-F551 AromaticContact CZ-CZ 3.75Å; F409-F551 HydrophobicContact CZ-CZ 3.75Å; V421-F551 HydrophobicContact CG1-CZ 4.34Å; V421-F551 HydrophobicContact CG2-CZ 4.38Å; V424-F551 HydrophobicContact CG1-CE1 3.9Å; A531-F551 WeakPolarHBondContact CA-O 3.3Å; L532-F551 HydrophobicContact CB-CB 4.35Å; L532-F551 HydrophobicContact CD2-CD2 4.33Å; L532-F551 PolarHBondContact N-O 3.49Å; L532-F551 PolarHBondContact O-N 3.31Å; F534-F551 HydrophobicContact CB-CE2 4.46Å; F549-F551 HydrophobicContact CB-CE2 3.94Å; F549-F551 HydrophobicContact CB-CZ 4.19Å; F551-V557 HydrophobicContact CD1-CB 4.28Å; F551-V557 HydrophobicContact CD1-CG2 3.83Å; F551-V557 HydrophobicContact CE1-CB 4.46Å; F551-V557 HydrophobicContact CE1-CG2 3.68Å; F551-V557 HydrophobicContact CZ-CG2 4.24Å
552	Y	98.4	Very high	97.8	Very high	35 Å²	35	31.4 Å²	31.4	14%	0.137	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	151.5	-174.7	-66.7	-88.1	0	0	0	112.5	W407 M508 A531 I550 S554 G555 S556 E558	W407-Y552 WeakPolarHBondContact CZ2-O 3.24Å; W407-Y552 PolarHBondContact NE1-O 2.88Å; M508-Y552 HydrophobicContact CE-CE1 4.16Å; M508-Y552 HydrophobicContact CG-CE1 4.27Å; M508-Y552 HydrophobicContact SD-CE1 4.42Å; A531-Y552 HydrophobicContact CB-CD1 3.7Å; A531-Y552 HydrophobicContact CB-CE1 3.9Å; A531-Y552 HydrophobicContact CB-CG 4.19Å; I550-Y552 HydrophobicContact CB-CE2 4.02Å; I550-Y552 HydrophobicContact CG2-CD2 4.2Å; I550-Y552 HydrophobicContact CG2-CE1 4.19Å; I550-Y552 HydrophobicContact CG2-CE2 3.63Å; Y552-S554 PolarHBondContact O-N 3.39Å; Y552-G555 PolarHBondContact O-N 3.01Å; Y552-G555 VanDerWaalsContact O-N 3.09Å; Y552-S556 PolarHBondContact N-O 2.73Å; Y552-E558 HydrophobicContact CE2-CB 3.83Å; Y552-E558 WeakPolarHBondContact CE2-OE2 3.39Å; Y552-E558 PolarHBondContact OH-OE2 2.83Å
553	Q	96.4	Very high	97.9	Very high	45 Å²	45	34 Å²	34	21%	0.21	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-18.4	175.7	-73	170.1	-65.5	0	0	114.4	L405 L512 V528 S530 G555	L405-Q553 HydrophobicContact CD1-CG 3.7Å; L512-Q553 HydrophobicContact CD2-CB 3.93Å; V528-Q553 PolarHBondContact O-OE1 3.4Å; V528-Q553 VanDerWaalsContact O-OE1 3.11Å; S530-Q553 WeakPolarHBondContact O-CG 3.34Å; S530-Q553 PolarHBondContact O-OE1 3.34Å; Q553-G555 VanDerWaalsContact C-N 3.26Å; Q553-G555 PolarHBondContact O-N 3.19Å
554	S	96.4	Very high	97.9	Very high	65 Å²	65	38 Å²	38	46%	0.455	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-9.3	176.8	54.3	0	0	0	0	114.5	Y552 S556	Y552-S554 PolarHBondContact O-N 3.39Å; S554-S556 WeakPolarHBondContact OG-CB 3.24Å; S554-S556 PolarHBondContact OG-N 3.17Å; S554-S556 PolarHBondContact OG-OG 3.3Å
555	G	97.2	Very high	97.9	Very high	4 Å²	4	37.5 Å²	37.5	4%	0.041	23%	0.228	C	C	.	.	S	Bend	trans	85.6	8.9	-167.5	0	0	0	0	0	113.5	W407 Y552 Q553 Y675	W407-G555 VanDerWaalsContact CH2-C 3.49Å; W407-G555 VanDerWaalsContact CH2-O 3.29Å; W407-G555 WeakPolarHBondContact CH2-O 3.42Å; W407-G555 VanDerWaalsContact CZ2-CA 3.41Å; Y552-G555 PolarHBondContact O-N 3.01Å; Y552-G555 VanDerWaalsContact O-N 3.09Å; Q553-G555 VanDerWaalsContact C-N 3.26Å; Q553-G555 PolarHBondContact O-N 3.19Å; G555-Y675 WeakPolarHBondContact O-CE1 3.37Å; G555-Y675 PolarHBondContact O-OH 3.29Å
556	S	97.8	Very high	97.9	Very high	62 Å²	62	39.8 Å²	39.8	43%	0.434	24%	0.237	S	C	.	.			trans	-86.6	140.2	172.8	-51.1	0	0	0	0	111	W407 Y552 S554	W407-S556 VanDerWaalsContact CZ2-O 3.3Å; W407-S556 WeakPolarHBondContact CZ2-O 3.18Å; Y552-S556 PolarHBondContact N-O 2.73Å; S554-S556 WeakPolarHBondContact OG-CB 3.24Å; S554-S556 PolarHBondContact OG-N 3.17Å; S554-S556 PolarHBondContact OG-OG 3.3Å
557	V	98.3	Very high	97.8	Very high	43 Å²	43	40.8 Å²	40.8	26%	0.261	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	135.5	169.3	60.5	0	0	0	0	109	W407 I431 I435 I550 F551	W407-V557 HydrophobicContact CH2-CB 4.19Å; I431-V557 HydrophobicContact CD1-CG1 4.15Å; I435-V557 HydrophobicContact CD1-CG1 3.87Å; I435-V557 HydrophobicContact CD1-CG2 4.17Å; I550-V557 CarbonylContact O-C 3.49Å; I550-V557 VanDerWaalsContact O-CA 3.31Å; I550-V557 WeakPolarHBondContact O-CA 3.44Å; F551-V557 HydrophobicContact CD1-CB 4.28Å; F551-V557 HydrophobicContact CD1-CG2 3.83Å; F551-V557 HydrophobicContact CE1-CB 4.46Å; F551-V557 HydrophobicContact CE1-CG2 3.68Å; F551-V557 HydrophobicContact CZ-CG2 4.24Å
558	E	98.4	Very high	97.7	Very high	48 Å²	48	40.8 Å²	40.8	22%	0.224	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	130.1	179	178.2	-175.6	175.8	0	0	109.5	F549 I550 Y552 K560	F549-E558 WeakPolarHBondContact CA-O 3.33Å; I550-E558 HydrophobicContact CB-CB 4.25Å; I550-E558 PolarHBondContact N-O 3.4Å; I550-E558 PolarHBondContact O-N 3.35Å; Y552-E558 HydrophobicContact CE2-CB 3.83Å; Y552-E558 WeakPolarHBondContact CE2-OE2 3.39Å; Y552-E558 PolarHBondContact OH-OE2 2.83Å; E558-K560 HydrophobicContact CG-CB 4.31Å; E558-K560 WeakPolarHBondContact OE1-CD 3.49Å; E558-K560 VanDerWaalsContact OE1-CE 3.24Å; E558-K560 WeakPolarHBondContact OE1-CE 3.46Å; E558-K560 IonicContact OE1-NZ 2.78Å; E558-K560 PolarHBondContact OE1-NZ 2.66Å
559	A	98.4	Very high	97.6	Very high	43 Å²	43	40.6 Å²	40.6	36%	0.355	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	124.6	167.1	0	0	0	0	0	108.6	F549 F598	F549-A559 HydrophobicContact CD1-CB 3.87Å; F549-A559 HydrophobicContact CE1-CB 3.8Å; A559-F598 HydrophobicContact CB-CD1 4.14Å; A559-F598 HydrophobicContact CB-CE1 4.03Å; A559-F598 HydrophobicContact CB-CZ 4.35Å
560	K	98.2	Very high	97.5	Very high	67 Å²	67	40.7 Å²	40.7	29%	0.291	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	141.5	-170.7	177.8	175	-125.3	150.1	0	110.8	D548 I550 E558 H562	D548-K560 HydrophobicContact CB-CB 4.22Å; D548-K560 PolarHBondContact N-O 3.03Å; D548-K560 PolarHBondContact O-N 2.99Å; I550-K560 HydrophobicContact CD1-CD 4.1Å; E558-K560 HydrophobicContact CG-CB 4.31Å; E558-K560 WeakPolarHBondContact OE1-CD 3.49Å; E558-K560 VanDerWaalsContact OE1-CE 3.24Å; E558-K560 WeakPolarHBondContact OE1-CE 3.46Å; E558-K560 IonicContact OE1-NZ 2.78Å; E558-K560 PolarHBondContact OE1-NZ 2.66Å; K560-H562 WeakPolarHBondContact CD-NE2 3.35Å; K560-H562 WeakPolarHBondContact CE-NE2 3.33Å; K560-H562 WeakPolarHBondContact CG-NE2 3.27Å
561	V	97.7	Very high	97.4	Very high	44 Å²	44	41.5 Å²	41.5	27%	0.267	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	136.7	175.8	60.2	0	0	0	0	109.2	Y545 M546 W547 I596	Y545-V561 HydrophobicContact CD1-CG2 4.2Å; M546-V561 VanDerWaalsContact O-CA 3.32Å; M546-V561 WeakPolarHBondContact O-CA 3.47Å; W547-V561 HydrophobicContact CD2-CG2 4.09Å; W547-V561 HydrophobicContact CE3-CB 3.83Å; W547-V561 HydrophobicContact CE3-CG2 3.7Å; W547-V561 HydrophobicContact CH2-CG2 3.87Å; W547-V561 HydrophobicContact CZ2-CG2 4.24Å; W547-V561 HydrophobicContact CZ3-CB 3.82Å; W547-V561 HydrophobicContact CZ3-CG1 4.5Å; W547-V561 HydrophobicContact CZ3-CG2 3.6Å; V561-I596 HydrophobicContact CG1-CB 4.39Å; V561-I596 HydrophobicContact CG1-CD1 4.46Å; V561-I596 HydrophobicContact CG1-CG1 3.92Å; V561-I596 HydrophobicContact CG1-CG2 4.16Å
562	H	97.4	Very high	97.2	Very high	84 Å²	84	43.3 Å²	43.3	39%	0.389	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	129.2	171.4	-65.3	-94.9	0	0	0	108.7	Y545 M546 K560	Y545-H562 WeakPolarHBondContact CA-O 3.17Å; M546-H562 HydrophobicContact CB-CB 4.29Å; M546-H562 HydrophobicContact CE-CB 3.84Å; M546-H562 PolarHBondContact N-O 3.13Å; M546-H562 PolarHBondContact O-N 3.47Å; K560-H562 WeakPolarHBondContact CD-NE2 3.35Å; K560-H562 WeakPolarHBondContact CE-NE2 3.33Å; K560-H562 WeakPolarHBondContact CG-NE2 3.27Å
563	A	96.4	Very high	97	Very high	58 Å²	58	42.6 Å²	42.6	48%	0.479	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	130.4	170.9	0	0	0	0	0	109.9	Y545	Y545-A563 HydrophobicContact CD1-CB 3.98Å; Y545-A563 HydrophobicContact CE1-CB 3.94Å
564	T	97.3	Very high	96.9	Very high	97 Å²	97	48.2 Å²	48.2	60%	0.595	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.2	-158.8	167.9	-165.9	0	0	0	0	109.2	D544	D544-T564 HydrophobicContact CB-CG2 3.69Å; D544-T564 PolarHBondContact N-O 2.81Å; D544-T564 PolarHBondContact O-N 3.32Å
565	G	96.5	Very high	96.7	Very high	38 Å²	38	47.2 Å²	47.2	39%	0.392	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	88.9	-148.2	-175.2	0	0	0	0	0	112.1	D544	D544-G565 VanDerWaalsContact OD2-CA 3.22Å; D544-G565 WeakPolarHBondContact OD2-CA 3.38Å
566	Y	97.9	Very high	96.5	Very high	49 Å²	49	47 Å²	47	19%	0.192	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-98.6	147	179.4	-65.4	-85.1	0	0	0	111.6	G311 Y313 G372 L374 N542	G311-Y566 VanDerWaalsContact CA-CE1 3.5Å; Y313-Y566 HydrophobicContact CD2-CD2 4.19Å; Y313-Y566 HydrophobicContact CD2-CG 4.19Å; G372-Y566 VanDerWaalsContact O-CE1 3.32Å; G372-Y566 WeakPolarHBondContact O-CE1 3.38Å; G372-Y566 PolarHBondContact O-OH 3.33Å; L374-Y566 HydrophobicContact CD1-CE2 4.35Å; L374-Y566 WeakPolarHBondContact CG-OH 3.33Å; N542-Y566 CarbonylContact C-O 3.53Å; N542-Y566 WeakPolarHBondContact CB-O 3.48Å; N542-Y566 PolarHBondContact ND2-O 2.9Å; N542-Y566 WeakPolarHBondContact O-CA 3.33Å; N542-Y566 PolarHBondContact O-N 3.24Å
567	I	97.1	Very high	96.4	Very high	60 Å²	60	49.5 Å²	49.5	31%	0.308	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-71.3	147.1	164	56.4	165.1	0	0	0	109.9	Y313 I314 V583	Y313-I567 WeakPolarHBondContact CB-O 3.35Å; I314-I567 HydrophobicContact CG2-CG1 4.11Å; I567-V583 HydrophobicContact CD1-CG1 4.31Å; I567-V583 HydrophobicContact CD1-CG2 3.99Å
568	S	95.9	Very high	96.4	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-77.6	137.9	162.1	-170.2	0	0	0	0	109.1	F287 Y444 M451 N542	F287-S568 WeakPolarHBondContact CE1-OG 3.41Å; Y444-S568 VanDerWaalsContact OH-CB 3.24Å; Y444-S568 WeakPolarHBondContact OH-CB 3.49Å; M451-S568 WeakPolarHBondContact CE-OG 3.32Å; N542-S568 PolarHBondContact ND2-N 2.85Å
569	S	96.9	Very high	96.3	Very high	1 Å²	1	58.3 Å²	58.3	1%	0.007	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	158.2	-174.8	78.2	0	0	0	0	112.4	F306 Y313 P316 V587 L588 N590	F306-S569 WeakPolarHBondContact CZ-O 3.24Å; Y313-S569 VanDerWaalsContact O-CB 3.31Å; Y313-S569 WeakPolarHBondContact O-CB 3.4Å; Y313-S569 PolarHBondContact O-N 2.74Å; Y313-S569 PolarHBondContact O-OG 2.84Å; P316-S569 WeakPolarHBondContact CD-OG 3.37Å; S569-V587 WeakPolarHBondContact OG-CG1 3.46Å; S569-L588 WeakPolarHBondContact CA-O 3.31Å; S569-L588 WeakPolarHBondContact CB-O 3.19Å; S569-N590 WeakPolarHBondContact CA-OD1 3.18Å
570	S	97.1	Very high	96.3	Very high	3 Å²	3	56.9 Å²	56.9	2%	0.021	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	159.4	168.4	73.3	0	0	0	0	111.5	S446 T448 L588 N590	S446-S570 PolarHBondContact OG-OG 3.09Å; T448-S570 WeakPolarHBondContact OG1-CB 3.42Å; S570-L588 PolarHBondContact N-O 3.3Å; S570-L588 PolarHBondContact O-N 3.21Å; S570-N590 PolarHBondContact N-OD1 2.8Å; S570-N590 PolarHBondContact OG-ND2 3.33Å; S570-N590 PolarHBondContact OG-OD1 2.82Å
571	Y	96	Very high	96.3	Very high	26 Å²	26	60.8 Å²	60.8	10%	0.102	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	138.7	175.7	-173	-101.1	0	0	0	110.2	P316 G318 N341 V573 N576 N586	P316-Y571 WeakPolarHBondContact O-CD2 3.32Å; G318-Y571 VanDerWaalsContact CA-CG 3.41Å; G318-Y571 VanDerWaalsContact N-CB 3.35Å; N341-Y571 WeakPolarHBondContact OD1-CE1 3.36Å; Y571-V573 HydrophobicContact CD1-CG1 3.92Å; Y571-V573 PolarHBondContact O-N 3.49Å; Y571-V573 VanDerWaalsContact O-N 3.13Å; Y571-N576 PolarHBondContact O-ND2 3.35Å; Y571-N586 HydrophobicContact CD2-CB 4.03Å; Y571-N586 WeakPolarHBondContact CD2-O 3.35Å; Y571-N586 HydrophobicContact CE2-CB 3.45Å; Y571-N586 VanDerWaalsContact CE2-CB 3.45Å
572	L	95.4	Very high	96.3	Very high	37 Å²	37	63.5 Å²	63.5	19%	0.194	34%	0.342	C	S	.	.			trans	-69.6	110.7	-178.4	-173.6	66.4	0	0	0	110.7	N576 L577 Q582 N586 L588	L572-N576 HydrophobicContact CD1-CB 4.19Å; L572-L577 HydrophobicContact CD1-CD2 4.04Å; L572-L577 HydrophobicContact CD1-CG 4.4Å; L572-Q582 HydrophobicContact CD2-CG 4.2Å; L572-N586 HydrophobicContact CB-CB 4.49Å; L572-N586 PolarHBondContact N-O 2.99Å; L572-L588 HydrophobicContact CD1-CB 4.39Å; L572-L588 HydrophobicContact CD1-CD1 3.89Å
573	V	95.1	Very high	96.3	Very high	21 Å²	21	63.5 Å²	63.5	13%	0.127	35%	0.348	C	S	.	.			trans	-121	168.9	172.8	-60.1	0	0	0	0	110.8	V447 T448 Y571 G575 N576	V447-V573 HydrophobicContact CG2-CG2 3.56Å; T448-V573 HydrophobicContact CG2-CG2 4.05Å; Y571-V573 HydrophobicContact CD1-CG1 3.92Å; Y571-V573 PolarHBondContact O-N 3.49Å; Y571-V573 VanDerWaalsContact O-N 3.13Å; V573-G575 PolarHBondContact O-N 3.02Å; V573-N576 WeakPolarHBondContact CG2-ND2 3.34Å; V573-N576 PolarHBondContact N-ND2 3.48Å; V573-N576 WeakPolarHBondContact O-CB 3.33Å; V573-N576 PolarHBondContact O-N 3.39Å
574	N	93.1	Very high	96.2	Very high	163 Å²	163	61.4 Å²	61.4	87%	0.872	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	133.1	178.8	-72.4	-20.3	0	0	0	111.7	N576	N574-N576 VanDerWaalsContact C-N 3.34Å
575	G	92.8	Very high	96	Very high	44 Å²	44	61.2 Å²	61.2	45%	0.454	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.4	-14.4	-179.7	0	0	0	0	0	115.5	V573 L577 K578	V573-G575 PolarHBondContact O-N 3.02Å; G575-L577 VanDerWaalsContact C-N 3.28Å; G575-L577 PolarHBondContact O-N 3.36Å; G575-K578 PolarHBondContact O-N 3.16Å
576	N	92.9	Very high	95.8	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-62.1	-28.9	-177.6	-98.2	-4.9	0	0	0	114.4	V447 Y571 L572 V573 N574 K578 Y579 L588	V447-N576 WeakPolarHBondContact CG2-OD1 3.21Å; V447-N576 PolarHBondContact N-OD1 2.92Å; Y571-N576 PolarHBondContact O-ND2 3.35Å; L572-N576 HydrophobicContact CD1-CB 4.19Å; V573-N576 WeakPolarHBondContact CG2-ND2 3.34Å; V573-N576 PolarHBondContact N-ND2 3.48Å; V573-N576 WeakPolarHBondContact O-CB 3.33Å; V573-N576 PolarHBondContact O-N 3.39Å; N574-N576 VanDerWaalsContact C-N 3.34Å; N576-K578 PolarHBondContact O-N 3.02Å; N576-Y579 WeakPolarHBondContact O-CA 3.29Å; N576-Y579 PolarHBondContact O-N 3.14Å; N576-L588 HydrophobicContact CB-CD1 4.11Å; N576-L588 HydrophobicContact CB-CD2 3.66Å; N576-L588 HydrophobicContact CB-CG 4.36Å
577	L	96.8	Very high	95.7	Very high	114 Å²	114	60.3 Å²	60.3	60%	0.597	31%	0.313	S	S	*	.	G	3₁₀ helix	trans	-64.8	-8.8	-177.2	-65.9	178.2	0	0	0	114.4	L572 G575 Y579 L588	L572-L577 HydrophobicContact CD1-CD2 4.04Å; L572-L577 HydrophobicContact CD1-CG 4.4Å; G575-L577 VanDerWaalsContact C-N 3.28Å; G575-L577 PolarHBondContact O-N 3.36Å; L577-Y579 VanDerWaalsContact C-N 3.29Å; L577-L588 HydrophobicContact CD2-CD1 4Å
578	K	96.8	Very high	95.8	Very high	184 Å²	184	57.4 Å²	57.4	80%	0.8	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-76.4	-17.3	168.4	-64.9	-176.4	180	-179	0	113.2	G575 N576	G575-K578 PolarHBondContact O-N 3.16Å; N576-K578 PolarHBondContact O-N 3.02Å
579	Y	97.7	Very high	95.9	Very high	91 Å²	91	58 Å²	58	36%	0.357	30%	0.304	S	S	.	.	S	Bend	trans	-120.3	20.3	-171.9	-57	-80.5	0	0	0	112.5	V447 N576 L577 N590 I591	V447-Y579 HydrophobicContact CG1-CD2 3.66Å; V447-Y579 HydrophobicContact CG1-CE2 3.37Å; N576-Y579 WeakPolarHBondContact O-CA 3.29Å; N576-Y579 PolarHBondContact O-N 3.14Å; L577-Y579 VanDerWaalsContact C-N 3.29Å; Y579-N590 WeakPolarHBondContact O-CA 3.48Å; Y579-I591 WeakPolarHBondContact O-CG2 3.4Å; Y579-I591 PolarHBondContact O-N 3.09Å
580	G	97.4	Very high	95.9	Very high	14 Å²	14	58.3 Å²	58.3	14%	0.144	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	157.5	-174.2	-178.9	0	0	0	0	0	113.3	G589	G580-G589 WeakPolarHBondContact CA-O 3.35Å
581	H	98.1	Very high	95.9	Very high	149 Å²	149	63.3 Å²	63.3	69%	0.69	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.2	150.6	176.2	-66.3	-58.9	0	0	0	110.7	V583 G589	H581-V583 PolarHBondContact O-N 3.44Å; H581-G589 PolarHBondContact N-O 3.4Å; H581-G589 PolarHBondContact O-N 2.84Å
582	Q	97.5	Very high	96	Very high	101 Å²	101	64.6 Å²	64.6	47%	0.472	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	126.7	171	-174.2	176.7	-4.5	0	0	109.5	L572 A584 V587	L572-Q582 HydrophobicContact CD2-CG 4.2Å; Q582-A584 WeakPolarHBondContact CG-O 3.44Å; Q582-A584 PolarHBondContact NE2-O 3.42Å; Q582-V587 CarbonylContact C-O 3.59Å; Q582-V587 VanDerWaalsContact CA-O 3.3Å; Q582-V587 WeakPolarHBondContact CA-O 3.43Å; Q582-V587 WeakPolarHBondContact CG-O 3.35Å
583	V	96.8	Very high	96	Very high	83 Å²	83	64.5 Å²	64.5	50%	0.503	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	-17.8	-175.6	-64.2	0	0	0	0	113.4	I567 H581 V587	I567-V583 HydrophobicContact CD1-CG1 4.31Å; I567-V583 HydrophobicContact CD1-CG2 3.99Å; H581-V583 PolarHBondContact O-N 3.44Å; V583-V587 HydrophobicContact CG2-CB 4.2Å; V583-V587 HydrophobicContact CG2-CG1 3.79Å; V583-V587 PolarHBondContact N-O 3.43Å
584	A	94.8	Very high	96	Very high	14 Å²	14	66.2 Å²	66.2	12%	0.116	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	177.3	170.3	0	0	0	0	0	109.5	Y371 Q582 N586 V587	Y371-A584 HydrophobicContact CD1-CB 4.42Å; Y371-A584 HydrophobicContact CD2-CB 3.76Å; Y371-A584 HydrophobicContact CE2-CB 4.08Å; Y371-A584 HydrophobicContact CG-CB 3.95Å; Q582-A584 WeakPolarHBondContact CG-O 3.44Å; Q582-A584 PolarHBondContact NE2-O 3.42Å; A584-N586 PolarHBondContact O-N 2.96Å; A584-N586 VanDerWaalsContact O-N 3.08Å; A584-V587 HydrophobicContact CB-CB 3.91Å; A584-V587 HydrophobicContact CB-CG2 3.8Å; A584-V587 PolarHBondContact O-N 2.82Å; A584-V587 VanDerWaalsContact O-N 3.07Å
585	E	92.9	Very high	96.2	Very high	94 Å²	94	58.9 Å²	58.9	44%	0.439	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	116	179.3	-171.8	177.3	174.8	0	0	110.8	V587	E585-V587 WeakPolarHBondContact O-CG2 3.23Å; E585-V587 PolarHBondContact O-N 2.83Å
586	N	93.3	Very high	96.4	Very high	61 Å²	61	59 Å²	59	33%	0.326	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.3	23.5	-175.3	-50.4	-47.1	0	0	0	116	Y571 L572 A584	Y571-N586 HydrophobicContact CD2-CB 4.03Å; Y571-N586 WeakPolarHBondContact CD2-O 3.35Å; Y571-N586 HydrophobicContact CE2-CB 3.45Å; Y571-N586 VanDerWaalsContact CE2-CB 3.45Å; L572-N586 HydrophobicContact CB-CB 4.49Å; L572-N586 PolarHBondContact N-O 2.99Å; A584-N586 PolarHBondContact O-N 2.96Å; A584-N586 VanDerWaalsContact O-N 3.08Å
587	V	96.1	Very high	96.6	Very high	6 Å²	6	61.1 Å²	61.1	4%	0.036	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	120.7	-179.9	-172.8	0	0	0	0	110.3	I314 P316 S569 Q582 V583 A584 E585	I314-V587 WeakPolarHBondContact O-CG2 3.26Å; P316-V587 HydrophobicContact CG-CB 4.49Å; P316-V587 HydrophobicContact CG-CG1 4.08Å; P316-V587 HydrophobicContact CG-CG2 4.25Å; S569-V587 WeakPolarHBondContact OG-CG1 3.46Å; Q582-V587 CarbonylContact C-O 3.59Å; Q582-V587 VanDerWaalsContact CA-O 3.3Å; Q582-V587 WeakPolarHBondContact CA-O 3.43Å; Q582-V587 WeakPolarHBondContact CG-O 3.35Å; V583-V587 HydrophobicContact CG2-CB 4.2Å; V583-V587 HydrophobicContact CG2-CG1 3.79Å; V583-V587 PolarHBondContact N-O 3.43Å; A584-V587 HydrophobicContact CB-CB 3.91Å; A584-V587 HydrophobicContact CB-CG2 3.8Å; A584-V587 PolarHBondContact O-N 2.82Å; A584-V587 VanDerWaalsContact O-N 3.07Å; E585-V587 WeakPolarHBondContact O-CG2 3.23Å; E585-V587 PolarHBondContact O-N 2.83Å
588	L	97.8	Very high	96.7	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	122.4	173.7	-170.5	86.1	0	0	0	110.2	S569 S570 L572 N576 L577 N590	S569-L588 WeakPolarHBondContact CA-O 3.31Å; S569-L588 WeakPolarHBondContact CB-O 3.19Å; S570-L588 PolarHBondContact N-O 3.3Å; S570-L588 PolarHBondContact O-N 3.21Å; L572-L588 HydrophobicContact CD1-CB 4.39Å; L572-L588 HydrophobicContact CD1-CD1 3.89Å; N576-L588 HydrophobicContact CB-CD1 4.11Å; N576-L588 HydrophobicContact CB-CD2 3.66Å; N576-L588 HydrophobicContact CB-CG 4.36Å; L577-L588 HydrophobicContact CD2-CD1 4Å; L588-N590 PolarHBondContact O-N 3.09Å; L588-N590 PolarHBondContact O-OD1 2.7Å; L588-N590 VanDerWaalsContact O-OD1 3.11Å
589	G	97.9	Very high	96.8	Very high	12 Å²	12	53.5 Å²	53.5	12%	0.124	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	105.5	163	0	0	0	0	0	109.7	G580 H581	G580-G589 WeakPolarHBondContact CA-O 3.35Å; H581-G589 PolarHBondContact N-O 3.4Å; H581-G589 PolarHBondContact O-N 2.84Å
590	N	98.1	Very high	96.8	Very high	7 Å²	7	52.1 Å²	52.1	4%	0.037	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	138	-175.9	-64.7	81.7	0	0	0	111.9	Y444 G445 S446 M451 S569 S570 Y579 L588 H592	Y444-N590 HydrophobicContact CD1-CB 3.94Å; G445-N590 PolarHBondContact O-ND2 3.13Å; G445-N590 VanDerWaalsContact O-ND2 3.09Å; S446-N590 WeakPolarHBondContact CB-ND2 3.2Å; S446-N590 PolarHBondContact OG-ND2 3.19Å; M451-N590 HydrophobicContact CG-CB 4.24Å; S569-N590 WeakPolarHBondContact CA-OD1 3.18Å; S570-N590 PolarHBondContact N-OD1 2.8Å; S570-N590 PolarHBondContact OG-ND2 3.33Å; S570-N590 PolarHBondContact OG-OD1 2.82Å; Y579-N590 WeakPolarHBondContact O-CA 3.48Å; L588-N590 PolarHBondContact O-N 3.09Å; L588-N590 PolarHBondContact O-OD1 2.7Å; L588-N590 VanDerWaalsContact O-OD1 3.11Å; N590-H592 PolarHBondContact O-ND1 2.97Å
591	I	97.7	Very high	96.9	Very high	108 Å²	108	53.1 Å²	53.1	55%	0.554	27%	0.272	S	S	*	.			trans	-63.2	140.2	169	-167.4	171.3	0	0	0	110	G445 Y579	G445-I591 PolarHBondContact N-O 3.24Å; Y579-I591 WeakPolarHBondContact O-CG2 3.4Å; Y579-I591 PolarHBondContact O-N 3.09Å
592	H	96.6	Very high	96.9	Very high	54 Å²	54	47.3 Å²	47.3	25%	0.25	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	164.6	175	55.1	-81.2	0	0	0	111.2	V443 Y444 Y543 N590 H594	V443-H592 CarbonylContact O-C 3.54Å; V443-H592 WeakPolarHBondContact O-CA 3.44Å; V443-H592 WeakPolarHBondContact O-CB 3.45Å; Y444-H592 HydrophobicContact CD1-CB 3.72Å; Y444-H592 HydrophobicContact CD2-CB 4.08Å; Y444-H592 HydrophobicContact CE1-CB 3.92Å; Y444-H592 AromaticContact CE1-CG 3.81Å; Y444-H592 AromaticContact CE1-ND1 3.69Å; Y444-H592 HydrophobicContact CE2-CB 4.25Å; Y444-H592 HydrophobicContact CG-CB 3.84Å; Y543-H592 PolarHBondContact OH-CD2 3.48Å; Y543-H592 VanDerWaalsContact OH-CD2 3.31Å; Y543-H592 PolarHBondContact OH-CE1 3.5Å; Y543-H592 PolarHBondContact OH-NE2 3.17Å; N590-H592 PolarHBondContact O-ND1 2.97Å; H592-H594 AromaticContact CD2-CD2 3.81Å; H592-H594 AromaticContact CD2-NE2 3.53Å; H592-H594 AromaticContact NE2-CD2 3.97Å; H592-H594 AromaticContact NE2-NE2 3.43Å; H592-H594 PolarHBondContact NE2-NE2 2.69Å
593	T	95.6	Very high	96.9	Very high	35 Å²	35	42.8 Å²	42.8	22%	0.215	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	156.1	170.5	49.2	0	0	0	0	110.6	S442 V443 F595	S442-T593 WeakPolarHBondContact CA-O 3.24Å; S442-T593 WeakPolarHBondContact CB-O 3.32Å; V443-T593 PolarHBondContact N-O 3.18Å; V443-T593 PolarHBondContact O-N 2.8Å; V443-T593 VanDerWaalsContact O-N 3.1Å; T593-F595 HydrophobicContact CG2-CE2 4.39Å; T593-F595 HydrophobicContact CG2-CZ 4.44Å; T593-F595 WeakPolarHBondContact OG1-CE2 3.42Å
594	H	96.4	Very high	96.9	Very high	56 Å²	56	39 Å²	39	26%	0.259	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	124.9	166.3	-73.7	-85.3	0	0	0	109.2	M441 Y543 Y545 H592	M441-H594 CarbonylContact O-C 3.49Å; M441-H594 WeakPolarHBondContact O-CA 3.44Å; Y543-H594 AromaticContact CE1-CE1 3.75Å; Y543-H594 AromaticContact CE1-NE2 3.84Å; Y543-H594 AromaticContact CE2-CE1 3.9Å; Y543-H594 AromaticContact CZ-CE1 3.6Å; Y543-H594 AromaticContact CZ-NE2 3.84Å; Y545-H594 AromaticContact CE1-CE1 3.91Å; Y545-H594 AromaticContact CE1-ND1 3.74Å; Y545-H594 AromaticContact CZ-ND1 3.89Å; Y545-H594 PolarHBondContact OH-CE1 3Å; Y545-H594 PolarHBondContact OH-ND1 3.03Å; Y545-H594 VanDerWaalsContact OH-ND1 3.14Å; H592-H594 AromaticContact CD2-CD2 3.81Å; H592-H594 AromaticContact CD2-NE2 3.53Å; H592-H594 AromaticContact NE2-CD2 3.97Å; H592-H594 AromaticContact NE2-NE2 3.43Å; H592-H594 PolarHBondContact NE2-NE2 2.69Å
595	F	96.4	Very high	97	Very high	10 Å²	10	39 Å²	39	4%	0.044	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	134.8	172.4	-62.8	-81.3	0	0	0	109.1	M441 T593 A683 G684 D685 H686 M697 W699 A700	M441-F595 HydrophobicContact CB-CB 4.4Å; M441-F595 PolarHBondContact N-O 3.28Å; M441-F595 PolarHBondContact O-N 2.85Å; T593-F595 HydrophobicContact CG2-CE2 4.39Å; T593-F595 HydrophobicContact CG2-CZ 4.44Å; T593-F595 WeakPolarHBondContact OG1-CE2 3.42Å; F595-A683 HydrophobicContact CD1-CB 4.02Å; F595-A683 HydrophobicContact CE1-CB 3.89Å; F595-G684 WeakPolarHBondContact CE1-O 3.09Å; F595-D685 WeakPolarHBondContact CZ-O 3.38Å; F595-H686 HydrophobicContact CE1-CB 4.43Å; F595-H686 HydrophobicContact CZ-CB 4.29Å; F595-M697 HydrophobicContact CD2-CE 3.64Å; F595-M697 HydrophobicContact CE2-CE 3.73Å; F595-M697 HydrophobicContact CG-CE 4.18Å; F595-M697 HydrophobicContact CZ-CE 4.36Å; F595-W699 HydrophobicContact CB-CH2 3.54Å; F595-W699 HydrophobicContact CB-CZ3 3.61Å; F595-A700 HydrophobicContact CB-CB 4.26Å; F595-A700 HydrophobicContact CD1-CB 3.76Å; F595-A700 HydrophobicContact CE1-CB 4.25Å; F595-A700 HydrophobicContact CG-CB 3.98Å
596	I	96.6	Very high	97.1	Very high	45 Å²	45	36.2 Å²	36.2	23%	0.231	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	128.5	-174.4	-50.7	-71.5	0	0	0	108.1	E439 A440 W547 V561 F598	E439-I596 WeakPolarHBondContact O-CA 3.47Å; A440-I596 HydrophobicContact CB-CD1 3.72Å; W547-I596 HydrophobicContact CH2-CD1 4.05Å; W547-I596 HydrophobicContact CH2-CG2 3.9Å; W547-I596 HydrophobicContact CZ3-CG2 3.61Å; V561-I596 HydrophobicContact CG1-CB 4.39Å; V561-I596 HydrophobicContact CG1-CD1 4.46Å; V561-I596 HydrophobicContact CG1-CG1 3.92Å; V561-I596 HydrophobicContact CG1-CG2 4.16Å; I596-F598 HydrophobicContact CB-CE2 4.33Å; I596-F598 HydrophobicContact CG2-CD2 4.08Å; I596-F598 HydrophobicContact CG2-CE2 3.41Å; I596-F598 VanDerWaalsContact CG2-CE2 3.41Å; I596-F598 HydrophobicContact CG2-CZ 3.8Å
597	N	97.6	Very high	97.2	Very high	45 Å²	45	37.8 Å²	37.8	24%	0.241	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	131.8	179.7	-164.6	-111.2	0	0	0	111.6	Q438 E439 W699	Q438-N597 HydrophobicContact CB-CB 4.02Å; Q438-N597 WeakPolarHBondContact CB-OD1 3.31Å; Q438-N597 PolarHBondContact N-O 3.43Å; E439-N597 HydrophobicContact CB-CB 4.06Å; E439-N597 PolarHBondContact N-O 3.38Å; E439-N597 PolarHBondContact O-N 3.19Å; N597-W699 HydrophobicContact CB-CD2 3.87Å; N597-W699 HydrophobicContact CB-CE3 3.57Å; N597-W699 HydrophobicContact CB-CG 4.49Å; N597-W699 HydrophobicContact CB-CH2 4.26Å; N597-W699 HydrophobicContact CB-CZ3 3.76Å
598	F	98.2	Very high	97.2	Very high	54 Å²	54	44.3 Å²	44.3	24%	0.237	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	139.1	173.2	-65.7	-86.7	0	0	0	109.7	S436 V437 W547 F549 A559 I596 V600	S436-F598 CarbonylContact O-C 3.52Å; S436-F598 WeakPolarHBondContact O-CA 3.44Å; V437-F598 HydrophobicContact CG2-CD1 4.21Å; V437-F598 HydrophobicContact CG2-CE1 3.78Å; W547-F598 HydrophobicContact CE3-CE1 4.38Å; W547-F598 HydrophobicContact CE3-CZ 4.22Å; W547-F598 HydrophobicContact CZ3-CE1 4.36Å; W547-F598 AromaticContact CZ3-CZ 3.99Å; W547-F598 HydrophobicContact CZ3-CZ 3.99Å; F549-F598 HydrophobicContact CE1-CD1 4.35Å; F549-F598 HydrophobicContact CE1-CE1 4.11Å; A559-F598 HydrophobicContact CB-CD1 4.14Å; A559-F598 HydrophobicContact CB-CE1 4.03Å; A559-F598 HydrophobicContact CB-CZ 4.35Å; I596-F598 HydrophobicContact CB-CE2 4.33Å; I596-F598 HydrophobicContact CG2-CD2 4.08Å; I596-F598 HydrophobicContact CG2-CE2 3.41Å; I596-F598 VanDerWaalsContact CG2-CE2 3.41Å; I596-F598 HydrophobicContact CG2-CZ 3.8Å; F598-V600 HydrophobicContact CB-CG2 4.4Å
599	K	98.6	Very high	97.2	Very high	84 Å²	84	46.5 Å²	46.5	37%	0.365	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	130.8	164	178.6	-176.5	176	-168.7	0	108.6	E434 I435 S436 Q438	E434-K599 IonicContact OE1-NZ 3.16Å; E434-K599 WeakPolarHBondContact OE2-CE 3.18Å; E434-K599 IonicContact OE2-NZ 2.74Å; E434-K599 PolarHBondContact OE2-NZ 2.81Å; I435-K599 WeakPolarHBondContact CA-O 3.16Å; S436-K599 PolarHBondContact N-O 3.48Å; S436-K599 PolarHBondContact O-N 3.1Å; Q438-K599 HydrophobicContact CG-CB 3.71Å
600	V	98.4	Very high	97.2	Very high	62 Å²	62	47.2 Å²	47.2	38%	0.376	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	87.4	179.1	-166.4	0	0	0	0	109	I435 F598 L602	I435-V600 HydrophobicContact CG1-CG1 4.3Å; F598-V600 HydrophobicContact CB-CG2 4.4Å; V600-L602 HydrophobicContact CG1-CD1 4.45Å; V600-L602 HydrophobicContact CG1-CD2 4.05Å; V600-L602 HydrophobicContact CG1-CG 3.97Å; V600-L602 PolarHBondContact O-N 3.1Å
601	D	98.6	Very high	97.2	Very high	36 Å²	36	49 Å²	49	19%	0.193	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	86.6	-178.2	-175.5	10.4	0	0	0	110.2	K185 A432 Y433 E434	K185-D601 WeakPolarHBondContact CD-OD2 3.29Å; K185-D601 WeakPolarHBondContact CE-OD2 3.43Å; K185-D601 IonicContact NZ-OD1 3.69Å; K185-D601 PolarHBondContact NZ-OD1 2.89Å; K185-D601 IonicContact NZ-OD2 3.11Å; K185-D601 PolarHBondContact NZ-OD2 2.67Å; A432-D601 CarbonylContact C-O 3.48Å; A432-D601 VanDerWaalsContact CA-O 3.29Å; A432-D601 WeakPolarHBondContact CA-O 3.12Å; Y433-D601 VanDerWaalsContact CD1-OD2 3.29Å; Y433-D601 WeakPolarHBondContact CD1-OD2 3.42Å; Y433-D601 PolarHBondContact N-O 2.94Å; E434-D601 HydrophobicContact CB-CB 4.12Å; E434-D601 PolarHBondContact O-N 2.91Å
602	L	98.4	Very high	97.1	Very high	27 Å²	27	44.6 Å²	44.6	14%	0.141	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	129.3	-179	-65.8	176.3	0	0	0	111.7	I431 A432 V600 V604 N609 I661	I431-L602 WeakPolarHBondContact O-CD2 3.48Å; A432-L602 HydrophobicContact CB-CD2 3.88Å; V600-L602 HydrophobicContact CG1-CD1 4.45Å; V600-L602 HydrophobicContact CG1-CD2 4.05Å; V600-L602 HydrophobicContact CG1-CG 3.97Å; V600-L602 PolarHBondContact O-N 3.1Å; L602-V604 HydrophobicContact CB-CG2 4.19Å; L602-N609 PolarHBondContact O-OD1 3.28Å; L602-I661 HydrophobicContact CB-CG2 4.13Å; L602-I661 HydrophobicContact CD1-CB 3.9Å; L602-I661 HydrophobicContact CD1-CD1 3.68Å; L602-I661 HydrophobicContact CD1-CG1 3.78Å; L602-I661 HydrophobicContact CD1-CG2 4.43Å
603	D	97.9	Very high	97.1	Very high	5 Å²	5	42.2 Å²	42.2	3%	0.027	23%	0.228	C	C	.	.			trans	-118.6	63.3	174.6	-77.4	-14.2	0	0	0	109.3	K185 I431 A605 G606	K185-D603 WeakPolarHBondContact CE-OD2 3.21Å; K185-D603 VanDerWaalsContact NZ-CG 3.33Å; K185-D603 IonicContact NZ-OD1 2.66Å; K185-D603 PolarHBondContact NZ-OD1 2.69Å; K185-D603 IonicContact NZ-OD2 2.73Å; K185-D603 PolarHBondContact NZ-OD2 3.1Å; I431-D603 PolarHBondContact O-N 3.22Å; I431-D603 VanDerWaalsContact O-N 3.09Å; D603-A605 PolarHBondContact O-N 2.95Å; D603-G606 CarbonylContact C-O 3.5Å; D603-G606 WeakPolarHBondContact CA-O 3.44Å; D603-G606 PolarHBondContact O-N 3.4Å
604	V	97.8	Very high	97.2	Very high	4 Å²	4	42.7 Å²	42.7	2%	0.024	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	107.7	-171.6	-176.1	0	0	0	0	110.9	L602 G606 N609 I661 S663 Y675	L602-V604 HydrophobicContact CB-CG2 4.19Å; V604-G606 PolarHBondContact N-O 3.16Å; V604-G606 PolarHBondContact O-N 3.42Å; V604-G606 VanDerWaalsContact O-N 3.13Å; V604-N609 PolarHBondContact N-OD1 3.48Å; V604-N609 PolarHBondContact O-ND2 3.25Å; V604-I661 HydrophobicContact CG2-CB 4.38Å; V604-I661 HydrophobicContact CG2-CG2 4Å; V604-S663 VanDerWaalsContact O-CB 3.25Å; V604-S663 WeakPolarHBondContact O-CB 3.29Å; V604-S663 PolarHBondContact O-OG 2.65Å; V604-Y675 HydrophobicContact CG1-CD2 4.03Å; V604-Y675 HydrophobicContact CG2-CD2 3.95Å; V604-Y675 HydrophobicContact CG2-CG 4.4Å
605	A	96	Very high	97.2	Very high	14 Å²	14	41.3 Å²	41.3	12%	0.116	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.2	24.5	-177.6	0	0	0	0	0	114.4	D603 K665	D603-A605 PolarHBondContact O-N 2.95Å; A605-K665 HydrophobicContact CB-CD 4.02Å; A605-K665 PolarHBondContact O-NZ 3.35Å
606	G	95.1	Very high	97.1	Very high	36 Å²	36	44 Å²	44	37%	0.371	24%	0.235	S	C	.	.	S	Bend	trans	137.7	167.9	-175.7	0	0	0	0	0	112.1	D603 V604 N609	D603-G606 CarbonylContact C-O 3.5Å; D603-G606 WeakPolarHBondContact CA-O 3.44Å; D603-G606 PolarHBondContact O-N 3.4Å; V604-G606 PolarHBondContact N-O 3.16Å; V604-G606 PolarHBondContact O-N 3.42Å; V604-G606 VanDerWaalsContact O-N 3.13Å; G606-N609 PolarHBondContact O-ND2 3.41Å; G606-N609 VanDerWaalsContact O-ND2 3.14Å
607	V	95.6	Very high	97.1	Very high	93 Å²	93	45.9 Å²	45.9	56%	0.564	24%	0.243	S	C	*	.	S	Bend	trans	-72.5	-30	-176.7	-177.8	0	0	0	0	112.6	M189 N609	M189-V607 HydrophobicContact CE-CG2 4.04Å; V607-N609 PolarHBondContact O-N 3.16Å
608	E	97	Very high	97.1	Very high	144 Å²	144	49.7 Å²	49.7	67%	0.673	26%	0.257	S	S	*	.			trans	-80.9	106.1	179.1	-65.6	-175.1	174.2	0	0	111.1
609	N	97.8	Very high	97	Very high	45 Å²	45	48.8 Å²	48.8	24%	0.241	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	163.3	178.7	-66.8	171.7	0	0	0	112	L602 V604 G606 V607 I661 A662	L602-N609 PolarHBondContact O-OD1 3.28Å; V604-N609 PolarHBondContact N-OD1 3.48Å; V604-N609 PolarHBondContact O-ND2 3.25Å; G606-N609 PolarHBondContact O-ND2 3.41Å; G606-N609 VanDerWaalsContact O-ND2 3.14Å; V607-N609 PolarHBondContact O-N 3.16Å; N609-I661 HydrophobicContact CB-CG2 3.64Å; N609-I661 WeakPolarHBondContact OD1-CG2 3.3Å; N609-A662 CarbonylContact C-O 3.58Å; N609-A662 VanDerWaalsContact CA-O 3.25Å; N609-A662 WeakPolarHBondContact CA-O 3.27Å
610	V	97.2	Very high	97	Very high	28 Å²	28	49.6 Å²	49.6	17%	0.17	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	144.9	172.1	-58.8	0	0	0	0	109.7	Q640 A662	V610-Q640 HydrophobicContact CB-CG 4.41Å; V610-A662 HydrophobicContact CG2-CB 3.97Å; V610-A662 PolarHBondContact N-O 3.28Å; V610-A662 PolarHBondContact O-N 3.29Å
611	F	97.8	Very high	96.9	Very high	43 Å²	43	49.8 Å²	49.8	19%	0.189	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	127.4	173.5	-173	-131.8	0	0	0	109.9	F641 A647 L659 H660 I661	F611-F641 HydrophobicContact CB-CD2 4.39Å; F611-F641 HydrophobicContact CD1-CB 4.01Å; F611-F641 AromaticContact CD1-CD2 3.19Å; F611-F641 HydrophobicContact CD1-CD2 3.19Å; F611-F641 AromaticContact CD1-CE2 3.76Å; F611-F641 HydrophobicContact CD1-CE2 3.76Å; F611-F641 AromaticContact CD1-CG 3.77Å; F611-F641 HydrophobicContact CD1-CG 3.77Å; F611-F641 AromaticContact CE1-CD2 3.55Å; F611-F641 HydrophobicContact CE1-CD2 3.55Å; F611-F641 AromaticContact CE1-CE2 3.6Å; F611-F641 HydrophobicContact CE1-CE2 3.6Å; F611-F641 HydrophobicContact CE1-CG 4.24Å; F611-F641 HydrophobicContact CE1-CZ 4.33Å; F611-F641 AromaticContact CG-CD2 3.89Å; F611-F641 HydrophobicContact CG-CD2 3.89Å; F611-F641 HydrophobicContact CZ-CD2 4.47Å; F611-F641 HydrophobicContact CZ-CE2 4.25Å; F611-F641 PolarHBondContact O-N 2.91Å; F611-A647 HydrophobicContact CD1-CB 3.62Å; F611-A647 HydrophobicContact CE1-CB 4.03Å; F611-L659 HydrophobicContact CE2-CB 3.91Å; F611-L659 HydrophobicContact CZ-CB 4.03Å; F611-L659 HydrophobicContact CZ-CD1 4.38Å; F611-L659 HydrophobicContact CZ-CD2 3.98Å; F611-L659 HydrophobicContact CZ-CG 4.35Å; F611-H660 WeakPolarHBondContact CD2-O 3.45Å; F611-I661 HydrophobicContact CD2-CD1 4.13Å; F611-I661 HydrophobicContact CD2-CG1 4.23Å; F611-I661 HydrophobicContact CE2-CD1 4.18Å
612	Q	96.6	Very high	96.8	Very high	17 Å²	17	50 Å²	50	8%	0.079	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	144.3	-179.3	66	-173.6	-11.1	0	0	111.9	K639 H660 A662	Q612-K639 CarbonylContact C-O 3.56Å; Q612-K639 VanDerWaalsContact CA-O 3.28Å; Q612-K639 WeakPolarHBondContact CA-O 3.23Å; Q612-H660 HydrophobicContact CG-CB 3.8Å; Q612-H660 PolarHBondContact N-O 2.92Å; Q612-H660 PolarHBondContact O-N 3.44Å; Q612-A662 HydrophobicContact CG-CB 4.38Å
613	A	96.7	Very high	96.7	Very high	4 Å²	4	50.3 Å²	50.3	3%	0.033	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	145	172.1	0	0	0	0	0	110.7	E638 K639 F641 P656 Y658 L659	A613-E638 WeakPolarHBondContact O-CA 3.49Å; A613-K639 PolarHBondContact N-O 3.14Å; A613-K639 PolarHBondContact O-N 3.36Å; A613-F641 HydrophobicContact CB-CE2 3.53Å; A613-F641 HydrophobicContact CB-CZ 3.73Å; A613-P656 HydrophobicContact CB-CB 3.57Å; A613-P656 HydrophobicContact CB-CG 3.64Å; A613-Y658 CarbonylContact C-O 3.58Å; A613-Y658 VanDerWaalsContact CA-O 3.24Å; A613-Y658 WeakPolarHBondContact CA-O 3.45Å; A613-L659 HydrophobicContact CB-CD2 4.26Å
614	K	96.3	Very high	96.6	Very high	44 Å²	44	55.3 Å²	55.3	19%	0.191	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	142.1	164.9	-41.2	-170.7	-176.2	-148.9	0	110.1	L636 V637 E638 Y658	K614-L636 HydrophobicContact CB-CD1 4Å; K614-V637 CarbonylContact C-O 3.5Å; K614-V637 VanDerWaalsContact CA-O 3.3Å; K614-V637 WeakPolarHBondContact CA-O 3.25Å; K614-E638 HydrophobicContact CB-CG 4.46Å; K614-E638 HydrophobicContact CD-CG 4.26Å; K614-E638 VanDerWaalsContact CD-OE1 3.3Å; K614-E638 WeakPolarHBondContact CD-OE1 3.38Å; K614-E638 WeakPolarHBondContact CE-OE1 3.36Å; K614-E638 HydrophobicContact CG-CG 4.09Å; K614-E638 IonicContact NZ-OE1 2.67Å; K614-E638 PolarHBondContact NZ-OE1 3.35Å; K614-Y658 PolarHBondContact N-O 3.39Å; K614-Y658 WeakPolarHBondContact O-CB 3.24Å; K614-Y658 PolarHBondContact O-N 3.24Å; K614-Y658 VanDerWaalsContact O-N 3.13Å
615	D	96.5	Very high	96.5	Very high	28 Å²	28	64 Å²	64	15%	0.15	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	-174.2	176.9	-146.9	-28.5	0	0	0	110.5	L636 V637 R657	D615-L636 WeakPolarHBondContact O-CD1 3.21Å; D615-V637 PolarHBondContact N-O 3.25Å; D615-V637 PolarHBondContact O-N 2.82Å; D615-R657 IonicContact OD1-CZ 3.4Å; D615-R657 IonicContact OD1-NE 2.69Å; D615-R657 PolarHBondContact OD1-NE 3.21Å; D615-R657 IonicContact OD1-NH2 2.95Å; D615-R657 PolarHBondContact OD1-NH2 3.11Å
616	M	95.5	Very high	96.6	Very high	67 Å²	67	67.6 Å²	67.6	33%	0.33	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	148.8	171.4	64.2	161.1	-70.8	0	0	112	F618 P634 R635 R657	M616-F618 HydrophobicContact CE-CD2 3.89Å; M616-F618 HydrophobicContact CE-CE1 4.45Å; M616-F618 HydrophobicContact CE-CE2 3.46Å; M616-F618 VanDerWaalsContact CE-CE2 3.46Å; M616-F618 HydrophobicContact CE-CZ 3.78Å; M616-P634 HydrophobicContact CE-CB 3.65Å; M616-R635 VanDerWaalsContact CA-O 3.24Å; M616-R635 WeakPolarHBondContact CA-O 3.42Å; M616-R657 PolarHBondContact O-NH2 3.27Å
617	E	95.7	Very high	96.4	Very high	84 Å²	84	69.7 Å²	69.7	39%	0.393	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	162.9	165.6	69.1	-173.5	-171.7	0	0	109.4	T619 P634 R635 V637	E617-T619 HydrophobicContact CG-CG2 4.24Å; E617-P634 CarbonylContact O-C 3.59Å; E617-P634 WeakPolarHBondContact O-CA 3.24Å; E617-R635 HydrophobicContact CG-CB 4.18Å; E617-R635 PolarHBondContact N-O 2.97Å; E617-R635 PolarHBondContact O-N 3.02Å; E617-R635 IonicContact OE1-NH1 3.64Å; E617-V637 HydrophobicContact CB-CG2 4.08Å; E617-V637 HydrophobicContact CG-CG2 3.58Å
618	F	97.6	Very high	96.4	Very high	124 Å²	124	72.4 Å²	72.4	54%	0.544	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	132	169	-78.8	-84.9	0	0	0	109.7	M616 M632 V633 P634	M616-F618 HydrophobicContact CE-CD2 3.89Å; M616-F618 HydrophobicContact CE-CE1 4.45Å; M616-F618 HydrophobicContact CE-CE2 3.46Å; M616-F618 VanDerWaalsContact CE-CE2 3.46Å; M616-F618 HydrophobicContact CE-CZ 3.78Å; F618-M632 HydrophobicContact CB-CE 3.64Å; F618-M632 HydrophobicContact CD1-CB 4.19Å; F618-V633 WeakPolarHBondContact CA-O 3.11Å; F618-P634 HydrophobicContact CD1-CB 4.46Å; F618-P634 HydrophobicContact CE1-CB 4.18Å; F618-P634 HydrophobicContact CE1-CG 4.48Å
619	T	97.1	Very high	96.3	Very high	35 Å²	35	73.6 Å²	73.6	22%	0.215	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	137.3	173.9	51.6	0	0	0	0	110.1	E617 V633 R635	E617-T619 HydrophobicContact CG-CG2 4.24Å; T619-V633 PolarHBondContact N-O 3.13Å; T619-V633 PolarHBondContact O-N 2.67Å; T619-V633 PolarHBondContact OG1-O 3.29Å; T619-R635 HydrophobicContact CG2-CB 4.05Å
620	N	97.1	Very high	96.3	Very high	102 Å²	102	78.3 Å²	78.3	55%	0.545	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	119.4	173.6	-164.9	28.1	0	0	0	109.5	Y630 M632	N620-Y630 WeakPolarHBondContact OD1-CB 3.34Å; N620-M632 HydrophobicContact CB-SD 3.65Å
621	V	96.1	Very high	96.3	Very high	65 Å²	65	78.5 Å²	78.5	39%	0.394	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	133.1	-174.6	-175.3	0	0	0	0	109.5	Y630 A631 V633	V621-Y630 CarbonylContact O-C 3.56Å; V621-Y630 VanDerWaalsContact O-CA 3.31Å; V621-Y630 WeakPolarHBondContact O-CA 3.5Å; V621-A631 PolarHBondContact N-O 2.78Å; V621-A631 PolarHBondContact O-N 2.78Å; V621-V633 HydrophobicContact CB-CG2 4.48Å; V621-V633 HydrophobicContact CG2-CB 4.48Å; V621-V633 HydrophobicContact CG2-CG2 4.5Å
622	S	96.9	Very high	96.3	Very high	42 Å²	42	81.9 Å²	81.9	29%	0.294	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	136	170.9	172.1	0	0	0	0	109.7	P624 P627 R629	S622-P624 VanDerWaalsContact O-CD 3.3Å; S622-P624 WeakPolarHBondContact O-CD 3.48Å; S622-P627 WeakPolarHBondContact OG-CA 3.45Å; S622-P627 PolarHBondContact OG-O 2.78Å; S622-R629 WeakPolarHBondContact CA-O 3.36Å
623	L	96.9	Very high	96.3	Very high	32 Å²	32	84.1 Å²	84.1	17%	0.168	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	119.5	179.4	-61.5	-176.8	0	0	0	109.6	W625 M626 R629 A631	L623-W625 HydrophobicContact CB-CD2 4.39Å; L623-W625 HydrophobicContact CB-CZ2 4.27Å; L623-W625 HydrophobicContact CD1-CZ2 4.13Å; L623-W625 HydrophobicContact CD2-CH2 4.02Å; L623-W625 HydrophobicContact CD2-CZ2 3.9Å; L623-W625 HydrophobicContact CG-CZ2 4.33Å; L623-W625 PolarHBondContact O-N 3.09Å; L623-M626 HydrophobicContact CB-CB 4.34Å; L623-M626 HydrophobicContact CD1-CE 4.05Å; L623-M626 CarbonylContact O-C 3.06Å; L623-M626 PolarHBondContact O-N 3.4Å; L623-R629 HydrophobicContact CD1-CB 3.87Å; L623-R629 HydrophobicContact CG-CB 4.33Å; L623-R629 PolarHBondContact N-O 2.78Å; L623-A631 HydrophobicContact CD2-CB 3.88Å
624	P	95.6	Very high	96.4	Very high	111 Å²	111	87.6 Å²	87.6	72%	0.721	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-25.7	-176	-27.7	35.8	0	0	0	114.7	S622	S622-P624 VanDerWaalsContact O-CD 3.3Å; S622-P624 WeakPolarHBondContact O-CD 3.48Å
625	W	96.3	Very high	96.4	Very high	185 Å²	185	92.5 Å²	92.5	70%	0.701	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95	-7.3	177.8	61.2	90.8	0	0	0	114.1	L623	L623-W625 HydrophobicContact CB-CD2 4.39Å; L623-W625 HydrophobicContact CB-CZ2 4.27Å; L623-W625 HydrophobicContact CD1-CZ2 4.13Å; L623-W625 HydrophobicContact CD2-CH2 4.02Å; L623-W625 HydrophobicContact CD2-CZ2 3.9Å; L623-W625 HydrophobicContact CG-CZ2 4.33Å; L623-W625 PolarHBondContact O-N 3.09Å
626	M	96.4	Very high	96.4	Very high	91 Å²	91	96 Å²	96	45%	0.448	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	77.5	174.9	-74.4	-173.1	-71.5	0	0	109.4	L623 D628 R629	L623-M626 HydrophobicContact CB-CB 4.34Å; L623-M626 HydrophobicContact CD1-CE 4.05Å; L623-M626 CarbonylContact O-C 3.06Å; L623-M626 PolarHBondContact O-N 3.4Å; M626-D628 PolarHBondContact O-N 3.14Å; M626-R629 HydrophobicContact CB-CB 4.11Å; M626-R629 HydrophobicContact CB-CG 4.01Å; M626-R629 WeakPolarHBondContact O-CB 3.29Å; M626-R629 PolarHBondContact O-N 3.47Å; M626-R629 HydrophobicContact SD-CG 4.32Å
627	P	91.1	Very high	96.5	Very high	79 Å²	79	95.4 Å²	95.4	51%	0.513	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.7	-25.8	-166.9	-28.9	37.2	0	0	0	115.7	S622 R629	S622-P627 WeakPolarHBondContact OG-CA 3.45Å; S622-P627 PolarHBondContact OG-O 2.78Å; P627-R629 PolarHBondContact O-N 3.18Å
628	D	95.6	Very high	96.5	Very high	151 Å²	151	96.5 Å²	96.5	81%	0.807	49%	0.485	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.5	-6	176.7	-57.5	-41.3	0	0	0	113.9	M626	M626-D628 PolarHBondContact O-N 3.14Å
629	R	96.5	Very high	96.4	Very high	168 Å²	168	96.1 Å²	96.1	63%	0.634	48%	0.483	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.8	145.2	179.1	-60.1	-68.8	-172.1	162.9	0.2	109.5	S622 L623 M626 P627	S622-R629 WeakPolarHBondContact CA-O 3.36Å; L623-R629 HydrophobicContact CD1-CB 3.87Å; L623-R629 HydrophobicContact CG-CB 4.33Å; L623-R629 PolarHBondContact N-O 2.78Å; M626-R629 HydrophobicContact CB-CB 4.11Å; M626-R629 HydrophobicContact CB-CG 4.01Å; M626-R629 WeakPolarHBondContact O-CB 3.29Å; M626-R629 PolarHBondContact O-N 3.47Å; M626-R629 HydrophobicContact SD-CG 4.32Å; P627-R629 PolarHBondContact O-N 3.18Å
630	Y	97.2	Very high	96.3	Very high	144 Å²	144	98.9 Å²	98.9	57%	0.565	49%	0.493	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.5	152	-177.6	-65.8	-99.8	0	0	0	110.9	N620 V621	N620-Y630 WeakPolarHBondContact OD1-CB 3.34Å; V621-Y630 CarbonylContact O-C 3.56Å; V621-Y630 VanDerWaalsContact O-CA 3.31Å; V621-Y630 WeakPolarHBondContact O-CA 3.5Å
631	A	97.1	Very high	96.3	Very high	33 Å²	33	94.8 Å²	94.8	27%	0.273	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	142.2	173	0	0	0	0	0	110.9	V621 L623 V633	V621-A631 PolarHBondContact N-O 2.78Å; V621-A631 PolarHBondContact O-N 2.78Å; L623-A631 HydrophobicContact CD2-CB 3.88Å; A631-V633 HydrophobicContact CB-CG2 4.14Å; A631-V633 PolarHBondContact O-N 2.83Å
632	M	97.8	Very high	96.3	Very high	114 Å²	114	102 Å²	102	56%	0.562	49%	0.491	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.9	109.4	167.1	-68.1	-59.3	-75.2	0	0	108.7	F618 N620	F618-M632 HydrophobicContact CB-CE 3.64Å; F618-M632 HydrophobicContact CD1-CB 4.19Å; N620-M632 HydrophobicContact CB-SD 3.65Å
633	V	97.2	Very high	96.4	Very high	63 Å²	63	103.5 Å²	103.5	38%	0.382	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	134.2	-175.7	-178.9	0	0	0	0	109.5	F618 T619 V621 A631 R635	F618-V633 WeakPolarHBondContact CA-O 3.11Å; T619-V633 PolarHBondContact N-O 3.13Å; T619-V633 PolarHBondContact O-N 2.67Å; T619-V633 PolarHBondContact OG1-O 3.29Å; V621-V633 HydrophobicContact CB-CG2 4.48Å; V621-V633 HydrophobicContact CG2-CB 4.48Å; V621-V633 HydrophobicContact CG2-CG2 4.5Å; A631-V633 HydrophobicContact CB-CG2 4.14Å; A631-V633 PolarHBondContact O-N 2.83Å; V633-R635 PolarHBondContact O-N 3.35Å
634	P	97.3	Very high	96.4	Very high	78 Å²	78	110.6 Å²	110.6	51%	0.506	53%	0.531	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	129	171.9	29	-34.5	0	0	0	110.3	M616 E617 F618	M616-P634 HydrophobicContact CE-CB 3.65Å; E617-P634 CarbonylContact O-C 3.59Å; E617-P634 WeakPolarHBondContact O-CA 3.24Å; F618-P634 HydrophobicContact CD1-CB 4.46Å; F618-P634 HydrophobicContact CE1-CB 4.18Å; F618-P634 HydrophobicContact CE1-CG 4.48Å
635	R	96.8	Very high	96.4	Very high	146 Å²	146	113.6 Å²	113.6	55%	0.551	54%	0.535	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.1	135.7	176.8	-178.6	-175.5	175.4	-170.7	4.6	109.7	M616 E617 T619 V633	M616-R635 VanDerWaalsContact CA-O 3.24Å; M616-R635 WeakPolarHBondContact CA-O 3.42Å; E617-R635 HydrophobicContact CG-CB 4.18Å; E617-R635 PolarHBondContact N-O 2.97Å; E617-R635 PolarHBondContact O-N 3.02Å; E617-R635 IonicContact OE1-NH1 3.64Å; T619-R635 HydrophobicContact CG2-CB 4.05Å; V633-R635 PolarHBondContact O-N 3.35Å
636	L	97.1	Very high	96.3	Very high	103 Å²	103	108.7 Å²	108.7	54%	0.539	52%	0.52	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	130.3	170.9	178.1	62.4	0	0	0	110.3	K614 D615 E638	K614-L636 HydrophobicContact CB-CD1 4Å; D615-L636 WeakPolarHBondContact O-CD1 3.21Å; L636-E638 HydrophobicContact CD1-CG 4.31Å; L636-E638 HydrophobicContact CD2-CG 4.09Å; L636-E638 HydrophobicContact CG-CG 3.96Å
637	V	96.5	Very high	96.2	Very high	53 Å²	53	106 Å²	106	32%	0.321	51%	0.512	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	129.5	172	-177.2	0	0	0	0	108.1	K614 D615 E617	K614-V637 CarbonylContact C-O 3.5Å; K614-V637 VanDerWaalsContact CA-O 3.3Å; K614-V637 WeakPolarHBondContact CA-O 3.25Å; D615-V637 PolarHBondContact N-O 3.25Å; D615-V637 PolarHBondContact O-N 2.82Å; E617-V637 HydrophobicContact CB-CG2 4.08Å; E617-V637 HydrophobicContact CG-CG2 3.58Å
638	E	96.2	Very high	96.4	Very high	107 Å²	107	105.4 Å²	105.4	50%	0.5	51%	0.514	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	134.5	177.3	-60.6	-173.8	109.5	0	0	109.6	A613 K614 L636	A613-E638 WeakPolarHBondContact O-CA 3.49Å; K614-E638 HydrophobicContact CB-CG 4.46Å; K614-E638 HydrophobicContact CD-CG 4.26Å; K614-E638 VanDerWaalsContact CD-OE1 3.3Å; K614-E638 WeakPolarHBondContact CD-OE1 3.38Å; K614-E638 WeakPolarHBondContact CE-OE1 3.36Å; K614-E638 HydrophobicContact CG-CG 4.09Å; K614-E638 IonicContact NZ-OE1 2.67Å; K614-E638 PolarHBondContact NZ-OE1 3.35Å; L636-E638 HydrophobicContact CD1-CG 4.31Å; L636-E638 HydrophobicContact CD2-CG 4.09Å; L636-E638 HydrophobicContact CG-CG 3.96Å
639	K	95.6	Very high	96.3	Very high	117 Å²	117	100.9 Å²	100.9	51%	0.509	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	123.3	177.3	-179	-177.8	176.9	-175	0	109.3	Q612 A613 F641	Q612-K639 CarbonylContact C-O 3.56Å; Q612-K639 VanDerWaalsContact CA-O 3.28Å; Q612-K639 WeakPolarHBondContact CA-O 3.23Å; A613-K639 PolarHBondContact N-O 3.14Å; A613-K639 PolarHBondContact O-N 3.36Å; K639-F641 HydrophobicContact CD-CE1 4.41Å
640	Q	96.1	Very high	96	Very high	92 Å²	92	97 Å²	97	43%	0.43	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	133.9	168.8	-172.1	-179.5	-17.9	0	0	109.7	V610	V610-Q640 HydrophobicContact CB-CG 4.41Å
641	F	96.4	Very high	95.4	Very high	16 Å²	16	95.5 Å²	95.5	7%	0.07	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	128.3	173.7	-56.5	-85.6	0	0	0	109	F611 A613 K639 E646 A647 L649	F611-F641 HydrophobicContact CB-CD2 4.39Å; F611-F641 HydrophobicContact CD1-CB 4.01Å; F611-F641 AromaticContact CD1-CD2 3.19Å; F611-F641 HydrophobicContact CD1-CD2 3.19Å; F611-F641 AromaticContact CD1-CE2 3.76Å; F611-F641 HydrophobicContact CD1-CE2 3.76Å; F611-F641 AromaticContact CD1-CG 3.77Å; F611-F641 HydrophobicContact CD1-CG 3.77Å; F611-F641 AromaticContact CE1-CD2 3.55Å; F611-F641 HydrophobicContact CE1-CD2 3.55Å; F611-F641 AromaticContact CE1-CE2 3.6Å; F611-F641 HydrophobicContact CE1-CE2 3.6Å; F611-F641 HydrophobicContact CE1-CG 4.24Å; F611-F641 HydrophobicContact CE1-CZ 4.33Å; F611-F641 AromaticContact CG-CD2 3.89Å; F611-F641 HydrophobicContact CG-CD2 3.89Å; F611-F641 HydrophobicContact CZ-CD2 4.47Å; F611-F641 HydrophobicContact CZ-CE2 4.25Å; F611-F641 PolarHBondContact O-N 2.91Å; A613-F641 HydrophobicContact CB-CE2 3.53Å; A613-F641 HydrophobicContact CB-CZ 3.73Å; K639-F641 HydrophobicContact CD-CE1 4.41Å; F641-E646 HydrophobicContact CB-CB 4.33Å; F641-E646 HydrophobicContact CD1-CB 4Å; F641-E646 WeakPolarHBondContact CD1-O 3.24Å; F641-E646 VanDerWaalsContact CE1-O 3.32Å; F641-E646 WeakPolarHBondContact CE1-O 3.17Å; F641-A647 HydrophobicContact CB-CB 4.13Å; F641-A647 HydrophobicContact CG-CB 4.47Å; F641-L649 HydrophobicContact CE1-CD2 4.11Å; F641-L649 HydrophobicContact CZ-CD2 4.22Å
642	R	96.4	Very high	94.6	Very high	217 Å²	217	100.2 Å²	100.2	82%	0.819	49%	0.49	S	S	*	.			trans	-101.5	-21.2	-173.3	-64.9	-175.5	177.4	-177.6	-0.1	113.3	E646	R642-E646 PolarHBondContact N-OE2 2.88Å
643	T	97.6	Very high	94.1	Very high	74 Å²	74	97.9 Å²	97.9	45%	0.454	48%	0.482	S	S	.	.	S	Bend	trans	-130	159.8	-179.2	70.5	0	0	0	0	110.8	Q645 E646 A647	T643-Q645 VanDerWaalsContact C-N 3.27Å; T643-Q645 PolarHBondContact O-N 2.95Å; T643-E646 PolarHBondContact O-N 3.4Å; T643-E646 WeakPolarHBondContact OG1-CG 3.39Å; T643-E646 PolarHBondContact OG1-N 2.91Å; T643-A647 PolarHBondContact O-N 2.78Å
644	E	97.2	Very high	93.6	Very high	180 Å²	180	103.3 Å²	103.3	84%	0.841	50%	0.501	S	S	*	.	H	α-helix	trans	-61.1	-38.1	176.7	-63.5	178.3	145.5	0	0	111.7	E646 A647 A648	E644-E646 VanDerWaalsContact C-N 3.34Å; E644-E646 PolarHBondContact O-N 2.96Å; E644-A647 CarbonylContact O-C 3.5Å; E644-A647 PolarHBondContact O-N 3.08Å; E644-A647 VanDerWaalsContact O-N 3.13Å; E644-A648 PolarHBondContact O-N 2.74Å
645	Q	95.3	Very high	93.2	Very high	175 Å²	175	103.7 Å²	103.7	82%	0.818	50%	0.497	S	S	*	.	H	α-helix	trans	-65.4	-36.7	178.8	-169.7	176.5	16.7	0	0	112.3	T643 A647	T643-Q645 VanDerWaalsContact C-N 3.27Å; T643-Q645 PolarHBondContact O-N 2.95Å; Q645-A647 VanDerWaalsContact C-N 3.3Å
646	E	94.9	Very high	93	Very high	82 Å²	82	98 Å²	98	38%	0.383	48%	0.479	S	S	.	.	H	α-helix	trans	-68.7	-31.8	174.1	-71.1	177.3	178.7	0	0	112.2	F641 R642 T643 E644	F641-E646 HydrophobicContact CB-CB 4.33Å; F641-E646 HydrophobicContact CD1-CB 4Å; F641-E646 WeakPolarHBondContact CD1-O 3.24Å; F641-E646 VanDerWaalsContact CE1-O 3.32Å; F641-E646 WeakPolarHBondContact CE1-O 3.17Å; R642-E646 PolarHBondContact N-OE2 2.88Å; T643-E646 PolarHBondContact O-N 3.4Å; T643-E646 WeakPolarHBondContact OG1-CG 3.39Å; T643-E646 PolarHBondContact OG1-N 2.91Å; E644-E646 VanDerWaalsContact C-N 3.34Å; E644-E646 PolarHBondContact O-N 2.96Å
647	A	95.1	Very high	92.9	Very high	33 Å²	33	99.4 Å²	99.4	27%	0.273	48%	0.477	S	S	.	.	H	α-helix	trans	-82.8	-14	-179.4	0	0	0	0	0	113.7	F611 F641 T643 E644 Q645 L649	F611-A647 HydrophobicContact CD1-CB 3.62Å; F611-A647 HydrophobicContact CE1-CB 4.03Å; F641-A647 HydrophobicContact CB-CB 4.13Å; F641-A647 HydrophobicContact CG-CB 4.47Å; T643-A647 PolarHBondContact O-N 2.78Å; E644-A647 CarbonylContact O-C 3.5Å; E644-A647 PolarHBondContact O-N 3.08Å; E644-A647 VanDerWaalsContact O-N 3.13Å; Q645-A647 VanDerWaalsContact C-N 3.3Å; A647-L649 PolarHBondContact O-N 2.98Å; A647-L649 VanDerWaalsContact O-N 3.08Å
648	A	94.8	Very high	92.9	Very high	68 Å²	68	102.4 Å²	102.4	56%	0.562	48%	0.484	S	S	*	.			trans	-77.5	87	175.6	0	0	0	0	0	110.8	E644	E644-A648 PolarHBondContact O-N 2.74Å
649	L	92.7	Very high	93	Very high	56 Å²	56	98 Å²	98	29%	0.293	46%	0.464	S	S	.	.			trans	-84.9	111.5	-179.9	-53	-179.1	0	0	0	110.3	F641 A647 I655 L659	F641-L649 HydrophobicContact CE1-CD2 4.11Å; F641-L649 HydrophobicContact CZ-CD2 4.22Å; A647-L649 PolarHBondContact O-N 2.98Å; A647-L649 VanDerWaalsContact O-N 3.08Å; L649-I655 HydrophobicContact CD1-CG2 4.3Å; L649-L659 HydrophobicContact CD1-CD1 3.98Å; L649-L659 HydrophobicContact CD1-CD2 3.7Å
650	R	91.3	Very high	93.1	Very high	86 Å²	86	93.7 Å²	93.7	33%	0.325	45%	0.445	S	S	.	.			trans	-79.7	154.7	-178.2	-56.3	-168.3	69.3	155	1	112.5	D652 T653 E689	R650-D652 VanDerWaalsContact C-N 3.32Å; R650-D652 PolarHBondContact O-N 2.81Å; R650-T653 HydrophobicContact CB-CG2 4.01Å; R650-T653 WeakPolarHBondContact O-CB 3.33Å; R650-T653 PolarHBondContact O-N 2.78Å; R650-T653 VanDerWaalsContact O-N 3.1Å; R650-T653 PolarHBondContact O-OG1 3.13Å; R650-E689 IonicContact CZ-OE1 2.71Å; R650-E689 IonicContact NH1-OE1 3.69Å; R650-E689 PolarHBondContact NH1-OE1 3.17Å; R650-E689 IonicContact NH2-OE1 2.76Å; R650-E689 PolarHBondContact NH2-OE1 2.73Å
651	Y	83.8	Confident	93.2	Very high	112 Å²	112	90.6 Å²	90.6	44%	0.439	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-39	-173.5	174.8	-104.5	0	0	0	114.7	T653 A683 R701	Y651-T653 VanDerWaalsContact C-N 3.28Å; Y651-T653 PolarHBondContact O-N 3.37Å; Y651-A683 WeakPolarHBondContact CE2-O 3.32Å; Y651-A683 PolarHBondContact OH-O 2.76Å; Y651-R701 PolarHBondContact N-OXT 2.66Å; Y651-R701 VanDerWaalsContact N-OXT 3.1Å
652	D	81.1	Confident	93.2	Very high	132 Å²	132	89.9 Å²	89.9	71%	0.706	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	4.5	-177.2	67.1	-22.2	0	0	0	114.2	R650	R650-D652 VanDerWaalsContact C-N 3.32Å; R650-D652 PolarHBondContact O-N 2.81Å
653	T	86.1	Confident	93.3	Very high	65 Å²	65	79.8 Å²	79.8	40%	0.399	39%	0.391	S	S	.	.	S	Bend	trans	-96.4	155.7	-179	69.2	0	0	0	0	112.1	R650 Y651 I655	R650-T653 HydrophobicContact CB-CG2 4.01Å; R650-T653 WeakPolarHBondContact O-CB 3.33Å; R650-T653 PolarHBondContact O-N 2.78Å; R650-T653 VanDerWaalsContact O-N 3.1Å; R650-T653 PolarHBondContact O-OG1 3.13Å; Y651-T653 VanDerWaalsContact C-N 3.28Å; Y651-T653 PolarHBondContact O-N 3.37Å; T653-I655 PolarHBondContact O-N 3.41Å
654	K	87.6	Confident	93.1	Very high	178 Å²	178	85.4 Å²	85.4	77%	0.774	40%	0.404	S	S	*	.			trans	-68.6	100.5	172.2	-174.8	-178.5	177.1	-175.1	0	109.5
655	I	89.6	Confident	93.1	Very high	85 Å²	85	82.6 Å²	82.6	44%	0.436	39%	0.389	S	S	.	.			trans	-74.9	126.7	176.6	-62.5	168.6	0	0	0	109.7	L649 T653 L659	L649-I655 HydrophobicContact CD1-CG2 4.3Å; T653-I655 PolarHBondContact O-N 3.41Å; I655-L659 HydrophobicContact CG2-CD1 4.04Å
656	P	92.1	Very high	93.2	Very high	26 Å²	26	78.1 Å²	78.1	17%	0.169	37%	0.373	C	S	.	.			trans	-57.9	142.7	174.1	-24.9	34.1	0	0	0	112.5	A613 Y658 L659	A613-P656 HydrophobicContact CB-CB 3.57Å; A613-P656 HydrophobicContact CB-CG 3.64Å; P656-Y658 PolarHBondContact O-N 3.23Å; P656-Y658 VanDerWaalsContact O-N 3.17Å; P656-L659 HydrophobicContact CB-CD2 4.11Å; P656-L659 HydrophobicContact CG-CD2 4.25Å
657	R	94.1	Very high	93.3	Very high	134 Å²	134	77.1 Å²	77.1	51%	0.506	37%	0.371	S	S	.	.	S	Bend	trans	-61.7	-26.3	-175.9	-78.9	178.3	-85.2	-135.3	-11.2	114.8	D615 M616	D615-R657 IonicContact OD1-CZ 3.4Å; D615-R657 IonicContact OD1-NE 2.69Å; D615-R657 PolarHBondContact OD1-NE 3.21Å; D615-R657 IonicContact OD1-NH2 2.95Å; D615-R657 PolarHBondContact OD1-NH2 3.11Å; M616-R657 PolarHBondContact O-NH2 3.27Å
658	Y	96.8	Very high	93.5	Very high	115 Å²	115	85.6 Å²	85.6	45%	0.451	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	106.7	-177.8	-60.7	-93.4	0	0	0	110.4	A613 K614 P656 K676	A613-Y658 CarbonylContact C-O 3.58Å; A613-Y658 VanDerWaalsContact CA-O 3.24Å; A613-Y658 WeakPolarHBondContact CA-O 3.45Å; K614-Y658 PolarHBondContact N-O 3.39Å; K614-Y658 WeakPolarHBondContact O-CB 3.24Å; K614-Y658 PolarHBondContact O-N 3.24Å; K614-Y658 VanDerWaalsContact O-N 3.13Å; P656-Y658 PolarHBondContact O-N 3.23Å; P656-Y658 VanDerWaalsContact O-N 3.17Å; Y658-K676 HydrophobicContact CD1-CD 4Å
659	L	97.4	Very high	93.6	Very high	16 Å²	16	90.7 Å²	90.7	8%	0.084	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	123.6	173.4	-57.4	178	0	0	0	108.5	F611 A613 L649 I655 P656 K676 L677	F611-L659 HydrophobicContact CE2-CB 3.91Å; F611-L659 HydrophobicContact CZ-CB 4.03Å; F611-L659 HydrophobicContact CZ-CD1 4.38Å; F611-L659 HydrophobicContact CZ-CD2 3.98Å; F611-L659 HydrophobicContact CZ-CG 4.35Å; A613-L659 HydrophobicContact CB-CD2 4.26Å; L649-L659 HydrophobicContact CD1-CD1 3.98Å; L649-L659 HydrophobicContact CD1-CD2 3.7Å; I655-L659 HydrophobicContact CG2-CD1 4.04Å; P656-L659 HydrophobicContact CB-CD2 4.11Å; P656-L659 HydrophobicContact CG-CD2 4.25Å; L659-K676 CarbonylContact O-C 3.56Å; L659-K676 VanDerWaalsContact O-CA 3.27Å; L659-K676 WeakPolarHBondContact O-CA 3.3Å; L659-L677 HydrophobicContact CB-CB 4.36Å; L659-L677 PolarHBondContact O-N 3.29Å
660	H	97.7	Very high	93.9	Very high	26 Å²	26	90.7 Å²	90.7	12%	0.12	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	133	-174.7	-77.1	-105.6	0	0	0	111.2	F611 Q612 S674 Y675	F611-H660 WeakPolarHBondContact CD2-O 3.45Å; Q612-H660 HydrophobicContact CG-CB 3.8Å; Q612-H660 PolarHBondContact N-O 2.92Å; Q612-H660 PolarHBondContact O-N 3.44Å; H660-S674 PolarHBondContact ND1-OG 3.28Å; H660-Y675 WeakPolarHBondContact CA-O 3.07Å
661	I	98.3	Very high	94.1	Very high	27 Å²	27	92.1 Å²	92.1	14%	0.138	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	118.5	162.7	-63.3	75.1	0	0	0	105.9	L602 V604 N609 F611 S674 Y675 L677	L602-I661 HydrophobicContact CB-CG2 4.13Å; L602-I661 HydrophobicContact CD1-CB 3.9Å; L602-I661 HydrophobicContact CD1-CD1 3.68Å; L602-I661 HydrophobicContact CD1-CG1 3.78Å; L602-I661 HydrophobicContact CD1-CG2 4.43Å; V604-I661 HydrophobicContact CG2-CB 4.38Å; V604-I661 HydrophobicContact CG2-CG2 4Å; N609-I661 HydrophobicContact CB-CG2 3.64Å; N609-I661 WeakPolarHBondContact OD1-CG2 3.3Å; F611-I661 HydrophobicContact CD2-CD1 4.13Å; F611-I661 HydrophobicContact CD2-CG1 4.23Å; F611-I661 HydrophobicContact CE2-CD1 4.18Å; I661-S674 CarbonylContact O-C 3.57Å; I661-S674 WeakPolarHBondContact O-CA 3.49Å; I661-S674 VanDerWaalsContact O-CB 3.24Å; I661-S674 WeakPolarHBondContact O-CB 3.25Å; I661-Y675 PolarHBondContact N-O 3.44Å; I661-Y675 PolarHBondContact O-N 3.41Å; I661-L677 HydrophobicContact CD1-CB 4.11Å
662	A	97.6	Very high	94.7	Very high	0 Å²	0	90 Å²	90	0%	0	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	143.8	-168	0	0	0	0	0	112.8	N609 V610 Q612 Q672 R673	N609-A662 CarbonylContact C-O 3.58Å; N609-A662 VanDerWaalsContact CA-O 3.25Å; N609-A662 WeakPolarHBondContact CA-O 3.27Å; V610-A662 HydrophobicContact CG2-CB 3.97Å; V610-A662 PolarHBondContact N-O 3.28Å; V610-A662 PolarHBondContact O-N 3.29Å; Q612-A662 HydrophobicContact CG-CB 4.38Å; A662-Q672 HydrophobicContact CB-CB 4.23Å; A662-R673 WeakPolarHBondContact CA-O 3.28Å
663	S	97.3	Very high	95.5	Very high	5 Å²	5	87.9 Å²	87.9	4%	0.035	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	157.9	171.5	-166.5	0	0	0	0	111	V604 K665 Q672 R673	V604-S663 VanDerWaalsContact O-CB 3.25Å; V604-S663 WeakPolarHBondContact O-CB 3.29Å; V604-S663 PolarHBondContact O-OG 2.65Å; S663-K665 PolarHBondContact O-N 2.86Å; S663-K665 PolarHBondContact OG-N 2.77Å; S663-Q672 WeakPolarHBondContact O-CB 3.22Å; S663-Q672 WeakPolarHBondContact O-CG 3.44Å; S663-R673 PolarHBondContact N-O 3.49Å
664	R	94.8	Very high	96.1	Very high	193 Å²	193	86.8 Å²	86.8	73%	0.728	40%	0.395	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.6	-21.3	164.9	-65.5	-175.4	179.2	-172.8	1.8	112.7
665	K	96.8	Very high	96.6	Very high	121 Å²	121	81.3 Å²	81.3	53%	0.526	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	137.7	175.7	-67.1	176.9	-178.1	163.7	0	110.4	A605 S663 R673	A605-K665 HydrophobicContact CB-CD 4.02Å; A605-K665 PolarHBondContact O-NZ 3.35Å; S663-K665 PolarHBondContact O-N 2.86Å; S663-K665 PolarHBondContact OG-N 2.77Å; K665-R673 PolarHBondContact O-N 2.84Å
666	T	97.5	Very high	97	Very high	80 Å²	80	81.1 Å²	81.1	49%	0.491	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	156.9	177.4	54.8	0	0	0	0	111.5	G670 H671	T666-G670 WeakPolarHBondContact CG2-O 3.42Å; T666-H671 CarbonylContact C-O 3.52Å; T666-H671 VanDerWaalsContact CA-O 3.22Å; T666-H671 WeakPolarHBondContact CA-O 3.39Å
667	N	97.4	Very high	97.2	Very high	62 Å²	62	83 Å²	83	33%	0.332	37%	0.374	S	S	.	.			trans	-78.2	177.8	165.9	69.1	17	0	0	0	110	W669 G670 H671 R673	N667-W669 PolarHBondContact O-N 3.3Å; N667-W669 WeakPolarHBondContact OD1-CA 3.46Å; N667-W669 WeakPolarHBondContact OD1-CB 3.44Å; N667-W669 PolarHBondContact OD1-N 3.38Å; N667-G670 PolarHBondContact O-N 2.81Å; N667-G670 PolarHBondContact OD1-N 2.84Å; N667-H671 PolarHBondContact N-O 3.38Å; N667-H671 PolarHBondContact OD1-N 2.98Å; N667-H671 VanDerWaalsContact OD1-N 3.11Å; N667-H671 PolarHBondContact OD1-O 2.92Å; N667-R673 HydrophobicContact CB-CG 4.32Å
668	R	98	Very high	97.3	Very high	211 Å²	211	81.8 Å²	81.8	80%	0.796	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-10.3	-179.7	71.3	-177.5	-179.2	-156.5	0.1	115.5
669	W	98.2	Very high	97.1	Very high	175 Å²	175	81.2 Å²	81.2	66%	0.663	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.3	7.3	-179.6	-48	124.8	0	0	0	112.8	N667 H671	N667-W669 PolarHBondContact O-N 3.3Å; N667-W669 WeakPolarHBondContact OD1-CA 3.46Å; N667-W669 WeakPolarHBondContact OD1-CB 3.44Å; N667-W669 PolarHBondContact OD1-N 3.38Å; W669-H671 PolarHBondContact O-N 3.11Å
670	G	97.6	Very high	96.9	Very high	55 Å²	55	88 Å²	88	57%	0.567	41%	0.412	S	S	*	.	S	Bend	trans	83.6	2	178.2	0	0	0	0	0	115.4	T666 N667	T666-G670 WeakPolarHBondContact CG2-O 3.42Å; N667-G670 PolarHBondContact O-N 2.81Å; N667-G670 PolarHBondContact OD1-N 2.84Å
671	H	96.6	Very high	96.7	Very high	117 Å²	117	90.1 Å²	90.1	54%	0.542	43%	0.43	S	S	.	.	P	Polyproline II helix	trans	-88.5	140.8	175.6	-58.9	-74.1	0	0	0	111.4	T666 N667 W669 R673	T666-H671 CarbonylContact C-O 3.52Å; T666-H671 VanDerWaalsContact CA-O 3.22Å; T666-H671 WeakPolarHBondContact CA-O 3.39Å; N667-H671 PolarHBondContact N-O 3.38Å; N667-H671 PolarHBondContact OD1-N 2.98Å; N667-H671 VanDerWaalsContact OD1-N 3.11Å; N667-H671 PolarHBondContact OD1-O 2.92Å; W669-H671 PolarHBondContact O-N 3.11Å; H671-R673 PolarHBondContact O-N 2.99Å
672	Q	97.1	Very high	96.3	Very high	68 Å²	68	98.6 Å²	98.6	32%	0.318	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-54	131.8	175.2	-71.5	178.8	-17.4	0	0	111.8	A662 S663 S674	A662-Q672 HydrophobicContact CB-CB 4.23Å; S663-Q672 WeakPolarHBondContact O-CB 3.22Å; S663-Q672 WeakPolarHBondContact O-CG 3.44Å; Q672-S674 PolarHBondContact O-N 3.13Å
673	R	97.9	Very high	95.6	Very high	87 Å²	87	99.4 Å²	99.4	33%	0.328	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	127.2	171.7	-63.5	-178.2	64.8	-161.2	-7	108.1	E429 A662 S663 K665 N667 H671	E429-R673 IonicContact OE1-NH1 3.67Å; E429-R673 IonicContact OE1-NH2 3.59Å; E429-R673 IonicContact OE2-CZ 2.72Å; E429-R673 IonicContact OE2-NH1 2.7Å; E429-R673 PolarHBondContact OE2-NH1 2.91Å; E429-R673 IonicContact OE2-NH2 3.78Å; E429-R673 PolarHBondContact OE2-NH2 3.19Å; A662-R673 WeakPolarHBondContact CA-O 3.28Å; S663-R673 PolarHBondContact N-O 3.49Å; K665-R673 PolarHBondContact O-N 2.84Å; N667-R673 HydrophobicContact CB-CG 4.32Å; H671-R673 PolarHBondContact O-N 2.99Å
674	S	97.8	Very high	95	Very high	42 Å²	42	100.5 Å²	100.5	29%	0.294	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	155.1	-175.8	56.7	0	0	0	0	112.1	H660 I661 Q672	H660-S674 PolarHBondContact ND1-OG 3.28Å; I661-S674 CarbonylContact O-C 3.57Å; I661-S674 WeakPolarHBondContact O-CA 3.49Å; I661-S674 VanDerWaalsContact O-CB 3.24Å; I661-S674 WeakPolarHBondContact O-CB 3.25Å; Q672-S674 PolarHBondContact O-N 3.13Å
675	Y	98.3	Very high	94.8	Very high	63 Å²	63	97.5 Å²	97.5	25%	0.247	48%	0.483	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	134.1	162.7	-91.2	-101.1	0	0	0	108.9	I431 G555 V604 H660 I661	I431-Y675 HydrophobicContact CB-CE1 4.38Å; I431-Y675 HydrophobicContact CB-CE2 3.95Å; I431-Y675 HydrophobicContact CD1-CE1 3.9Å; I431-Y675 HydrophobicContact CG2-CE1 4.42Å; I431-Y675 HydrophobicContact CG2-CE2 3.69Å; I431-Y675 WeakPolarHBondContact CG2-OH 3.2Å; G555-Y675 WeakPolarHBondContact O-CE1 3.37Å; G555-Y675 PolarHBondContact O-OH 3.29Å; V604-Y675 HydrophobicContact CG1-CD2 4.03Å; V604-Y675 HydrophobicContact CG2-CD2 3.95Å; V604-Y675 HydrophobicContact CG2-CG 4.4Å; H660-Y675 WeakPolarHBondContact CA-O 3.07Å; I661-Y675 PolarHBondContact N-O 3.44Å; I661-Y675 PolarHBondContact O-N 3.41Å
676	K	97.8	Very high	94.6	Very high	80 Å²	80	93.8 Å²	93.8	35%	0.348	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	128	174	-176.8	-166.6	175.9	-166.6	0	109	Y658 L659	Y658-K676 HydrophobicContact CD1-CD 4Å; L659-K676 CarbonylContact O-C 3.56Å; L659-K676 VanDerWaalsContact O-CA 3.27Å; L659-K676 WeakPolarHBondContact O-CA 3.3Å
677	L	96.9	Very high	94.4	Very high	67 Å²	67	91 Å²	91	35%	0.351	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	125.1	165	-178.6	63.9	0	0	0	108.8	L659 I661 V679	L659-L677 HydrophobicContact CB-CB 4.36Å; L659-L677 PolarHBondContact O-N 3.29Å; I661-L677 HydrophobicContact CD1-CB 4.11Å; L677-V679 HydrophobicContact CG-CG2 4.37Å
678	Q	95.9	Very high	94.3	Very high	107 Å²	107	91.5 Å²	91.5	50%	0.5	46%	0.456	S	S	.	.			trans	-128.5	119.1	175.6	-179	165.4	-14.1	0	0	109.2	F680	Q678-F680 HydrophobicContact CG-CD2 4.3Å; Q678-F680 HydrophobicContact CG-CE2 3.7Å; Q678-F680 HydrophobicContact CG-CZ 3.91Å
679	V	92.9	Very high	94.1	Very high	104 Å²	104	85.9 Å²	85.9	63%	0.63	44%	0.438	S	S	*	.			trans	-100.5	129.1	-178.1	-177.8	0	0	0	0	108.9	L677	L677-V679 HydrophobicContact CG-CG2 4.37Å
680	F	93.5	Very high	94	Very high	159 Å²	159	82.3 Å²	82.3	70%	0.697	44%	0.441	S	S	*	.			trans	-113.3	101.4	170.6	-63.9	-87.7	0	0	0	107.7	Q678	Q678-F680 HydrophobicContact CG-CD2 4.3Å; Q678-F680 HydrophobicContact CG-CE2 3.7Å; Q678-F680 HydrophobicContact CG-CZ 3.91Å
681	S	92.1	Very high	93.8	Very high	70 Å²	70	84 Å²	84	49%	0.49	43%	0.434	S	S	.	.			trans	-139.2	144.3	-178.4	-176.7	0	0	0	0	109.9	A683	S681-A683 WeakPolarHBondContact OG-CB 3.4Å; S681-A683 PolarHBondContact OG-N 2.67Å; S681-A683 VanDerWaalsContact OG-N 3.17Å
682	F	90.6	Very high	93.5	Very high	205 Å²	205	83 Å²	83	90%	0.899	44%	0.436	S	S	*	.			trans	-125	28.1	170.1	-52.3	-81.9	0	0	0	109.6	G684	F682-G684 PolarHBondContact O-N 2.9Å
683	A	82.8	Confident	93.3	Very high	17 Å²	17	81.9 Å²	81.9	14%	0.14	43%	0.43	C	S	.	.			trans	-55.2	139.6	178.2	0	0	0	0	0	109.8	F595 Y651 S681	F595-A683 HydrophobicContact CD1-CB 4.02Å; F595-A683 HydrophobicContact CE1-CB 3.89Å; Y651-A683 WeakPolarHBondContact CE2-O 3.32Å; Y651-A683 PolarHBondContact OH-O 2.76Å; S681-A683 WeakPolarHBondContact OG-CB 3.4Å; S681-A683 PolarHBondContact OG-N 2.67Å; S681-A683 VanDerWaalsContact OG-N 3.17Å
684	G	84.6	Confident	93.1	Very high	28 Å²	28	77.8 Å²	77.8	29%	0.289	42%	0.415	S	S	.	.			trans	-75.9	-171.7	172.7	0	0	0	0	0	111.7	F595 F682 H686	F595-G684 WeakPolarHBondContact CE1-O 3.09Å; F682-G684 PolarHBondContact O-N 2.9Å; G684-H686 PolarHBondContact O-N 2.86Å
685	D	91.4	Very high	92.9	Very high	130 Å²	130	85.7 Å²	85.7	70%	0.695	44%	0.439	S	S	*	.	P	Polyproline II helix	trans	-60.2	135.7	174.4	-58.9	-34.4	0	0	0	111	F595	F595-D685 WeakPolarHBondContact CZ-O 3.38Å
686	H	92.1	Very high	92.6	Very high	42 Å²	42	85.4 Å²	85.4	19%	0.194	45%	0.446	C	S	.	.	P	Polyproline II helix	trans	-69.8	166.7	173.3	66.4	80	0	0	0	111.4	F595 G684 M697 A700	F595-H686 HydrophobicContact CE1-CB 4.43Å; F595-H686 HydrophobicContact CZ-CB 4.29Å; G684-H686 PolarHBondContact O-N 2.86Å; H686-M697 HydrophobicContact CB-CE 4.48Å; H686-A700 HydrophobicContact CB-CB 4.36Å; H686-A700 WeakPolarHBondContact CB-O 3.3Å
687	L	93	Very high	92.4	Very high	23 Å²	23	81.6 Å²	81.6	12%	0.12	43%	0.429	C	S	.	.	P	Polyproline II helix	trans	-56.9	138.5	173.2	-78.3	178.4	0	0	0	110.3	V443 K455 E689 E694 M697	V443-L687 HydrophobicContact CG1-CD2 3.8Å; V443-L687 HydrophobicContact CG1-CG 4.3Å; V443-L687 HydrophobicContact CG2-CD1 4.4Å; V443-L687 HydrophobicContact CG2-CG 4.29Å; K455-L687 HydrophobicContact CD-CD1 3.7Å; K455-L687 HydrophobicContact CG-CD1 4.42Å; L687-E689 PolarHBondContact O-N 2.9Å; L687-E694 HydrophobicContact CB-CB 4.09Å; L687-E694 HydrophobicContact CB-CG 4.05Å; L687-E694 VanDerWaalsContact O-CG 3.23Å; L687-E694 WeakPolarHBondContact O-CG 3.37Å; L687-M697 HydrophobicContact CB-SD 3.78Å; L687-M697 HydrophobicContact CD1-SD 3.41Å; L687-M697 WeakPolarHBondContact CD1-SD 3.31Å; L687-M697 HydrophobicContact CG-SD 3.56Å; L687-M697 VanDerWaalsContact CG-SD 3.56Å
688	P	94.6	Very high	92.3	Very high	71 Å²	71	81.4 Å²	81.4	46%	0.461	43%	0.433	S	S	.	.	P	Polyproline II helix	trans	-58	136	178.2	-23.6	32.5	0	0	0	111.6	S690 Q691	P688-S690 PolarHBondContact O-N 3.02Å; P688-Q691 HydrophobicContact CB-CG 4.24Å; P688-Q691 HydrophobicContact CG-CG 4.42Å; P688-Q691 WeakPolarHBondContact O-CB 3.4Å; P688-Q691 PolarHBondContact O-N 3.43Å
689	E	94.8	Very high	92.3	Very high	93 Å²	93	80 Å²	80	44%	0.435	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-15.1	179.8	-67.2	-170.9	-120.3	0	0	113.9	R650 L687 Q691 R701	R650-E689 IonicContact CZ-OE1 2.71Å; R650-E689 IonicContact NH1-OE1 3.69Å; R650-E689 PolarHBondContact NH1-OE1 3.17Å; R650-E689 IonicContact NH2-OE1 2.76Å; R650-E689 PolarHBondContact NH2-OE1 2.73Å; L687-E689 PolarHBondContact O-N 2.9Å; E689-Q691 PolarHBondContact O-N 2.75Å; E689-R701 IonicContact OE2-CZ 2.72Å; E689-R701 IonicContact OE2-NE 3.22Å; E689-R701 IonicContact OE2-NH1 2.83Å; E689-R701 PolarHBondContact OE2-NH1 2.76Å; E689-R701 IonicContact OE2-NH2 3.28Å; E689-R701 PolarHBondContact OE2-NH2 3.38Å
690	S	95.1	Very high	92.3	Very high	101 Å²	101	75.6 Å²	75.6	71%	0.706	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-17.2	172.3	61.1	0	0	0	0	113.4	P688	P688-S690 PolarHBondContact O-N 3.02Å
691	Q	93.4	Very high	92.3	Very high	91 Å²	91	72.1 Å²	72.1	43%	0.425	38%	0.381	S	S	.	.	S	Bend	trans	-83.2	138.6	177.9	-57.2	-55	-65.5	0	0	110.5	P688 E689 E693 E694	P688-Q691 HydrophobicContact CB-CG 4.24Å; P688-Q691 HydrophobicContact CG-CG 4.42Å; P688-Q691 WeakPolarHBondContact O-CB 3.4Å; P688-Q691 PolarHBondContact O-N 3.43Å; E689-Q691 PolarHBondContact O-N 2.75Å; Q691-E693 VanDerWaalsContact C-N 3.31Å; Q691-E693 PolarHBondContact O-N 2.89Å; Q691-E694 HydrophobicContact CB-CB 4.5Å; Q691-E694 VanDerWaalsContact O-CB 3.31Å; Q691-E694 WeakPolarHBondContact O-CB 3.3Å; Q691-E694 PolarHBondContact O-N 3.39Å
692	T	91.6	Very high	92.3	Very high	95 Å²	95	72.3 Å²	72.3	58%	0.583	38%	0.375	S	S	*	.	G	3₁₀ helix	trans	-67.1	-34.1	-175.7	52.2	0	0	0	0	113.3	E694 R695	T692-E694 VanDerWaalsContact C-N 3.26Å; T692-E694 PolarHBondContact O-N 3.41Å; T692-R695 PolarHBondContact O-N 2.91Å
693	E	91.7	Very high	92.4	Very high	44 Å²	44	65.3 Å²	65.3	21%	0.206	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-72.8	-21.3	-176.9	-58.2	93.4	131.9	0	0	111.9	K455 Q691 R695 S696	K455-E693 HydrophobicContact CD-CB 4.3Å; Q691-E693 VanDerWaalsContact C-N 3.31Å; Q691-E693 PolarHBondContact O-N 2.89Å; E693-R695 PolarHBondContact O-N 3.36Å; E693-R695 VanDerWaalsContact O-N 3.13Å; E693-S696 WeakPolarHBondContact O-CB 3.43Å; E693-S696 PolarHBondContact O-N 3.43Å; E693-S696 PolarHBondContact O-OG 2.8Å
694	E	94.4	Very high	92.9	Very high	2 Å²	2	67.9 Å²	67.9	1%	0.009	36%	0.359	C	S	.	.	G	3₁₀ helix	trans	-57	-29.2	176.7	-172	-75.7	157.5	0	0	111.7	L687 Q691 T692 S696 M697 S698 R701	L687-E694 HydrophobicContact CB-CB 4.09Å; L687-E694 HydrophobicContact CB-CG 4.05Å; L687-E694 VanDerWaalsContact O-CG 3.23Å; L687-E694 WeakPolarHBondContact O-CG 3.37Å; Q691-E694 HydrophobicContact CB-CB 4.5Å; Q691-E694 VanDerWaalsContact O-CB 3.31Å; Q691-E694 WeakPolarHBondContact O-CB 3.3Å; Q691-E694 PolarHBondContact O-N 3.39Å; T692-E694 VanDerWaalsContact C-N 3.26Å; T692-E694 PolarHBondContact O-N 3.41Å; E694-S696 PolarHBondContact O-N 3.23Å; E694-M697 CarbonylContact O-C 3.57Å; E694-M697 WeakPolarHBondContact O-CA 3.34Å; E694-M697 WeakPolarHBondContact O-CG 3.24Å; E694-M697 PolarHBondContact O-N 2.83Å; E694-S698 PolarHBondContact O-N 2.94Å; E694-R701 VanDerWaalsContact CD-NH2 3.31Å; E694-R701 WeakPolarHBondContact OE1-CG 3.49Å; E694-R701 IonicContact OE1-CZ 3.6Å; E694-R701 VanDerWaalsContact OE1-CZ 3.31Å; E694-R701 IonicContact OE1-NE 3.43Å; E694-R701 PolarHBondContact OE1-NE 2.9Å; E694-R701 IonicContact OE1-NH2 3.4Å; E694-R701 PolarHBondContact OE1-NH2 2.86Å; E694-R701 IonicContact OE2-CZ 2.58Å; E694-R701 IonicContact OE2-NE 2.67Å; E694-R701 IonicContact OE2-NH2 3.64Å; E694-R701 PolarHBondContact OE2-NH2 3.03Å
695	R	93.9	Very high	93.4	Very high	208 Å²	208	70.3 Å²	70.3	79%	0.785	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-57.8	-22.2	175.8	-64.7	-178.8	-179.4	-177.4	1	114	T692 E693 M697	T692-R695 PolarHBondContact O-N 2.91Å; E693-R695 PolarHBondContact O-N 3.36Å; E693-R695 VanDerWaalsContact O-N 3.13Å; R695-M697 VanDerWaalsContact C-N 3.26Å
696	S	92.4	Very high	93.5	Very high	57 Å²	57	66.6 Å²	66.6	40%	0.399	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-78.3	-11.5	174.5	67.3	0	0	0	0	113.6	E693 E694 W699	E693-S696 WeakPolarHBondContact O-CB 3.43Å; E693-S696 PolarHBondContact O-N 3.43Å; E693-S696 PolarHBondContact O-OG 2.8Å; E694-S696 PolarHBondContact O-N 3.23Å; S696-W699 PolarHBondContact O-NE1 3.43Å
697	M	93.4	Very high	93.6	Very high	0 Å²	0	68.2 Å²	68.2	0%	0	35%	0.352	C	S	.	.			trans	-137.7	26.9	-173.2	71.9	175.4	-63.1	0	0	113.6	M441 V443 F595 H686 L687 E694 R695 W699 A700	M441-M697 HydrophobicContact CE-CB 4.07Å; M441-M697 HydrophobicContact CE-CE 4.32Å; M441-M697 HydrophobicContact CE-CG 4.16Å; M441-M697 HydrophobicContact CE-SD 3.41Å; M441-M697 WeakPolarHBondContact CE-SD 3.35Å; M441-M697 HydrophobicContact SD-CB 3.33Å; M441-M697 WeakPolarHBondContact SD-CB 3.48Å; M441-M697 HydrophobicContact SD-CE 3.76Å; M441-M697 HydrophobicContact SD-CG 3.96Å; M441-M697 HydrophobicContact SD-SD 3.53Å; V443-M697 HydrophobicContact CG2-CE 4.46Å; V443-M697 HydrophobicContact CG2-SD 4.32Å; F595-M697 HydrophobicContact CD2-CE 3.64Å; F595-M697 HydrophobicContact CE2-CE 3.73Å; F595-M697 HydrophobicContact CG-CE 4.18Å; F595-M697 HydrophobicContact CZ-CE 4.36Å; H686-M697 HydrophobicContact CB-CE 4.48Å; L687-M697 HydrophobicContact CB-SD 3.78Å; L687-M697 HydrophobicContact CD1-SD 3.41Å; L687-M697 WeakPolarHBondContact CD1-SD 3.31Å; L687-M697 HydrophobicContact CG-SD 3.56Å; L687-M697 VanDerWaalsContact CG-SD 3.56Å; E694-M697 CarbonylContact O-C 3.57Å; E694-M697 WeakPolarHBondContact O-CA 3.34Å; E694-M697 WeakPolarHBondContact O-CG 3.24Å; E694-M697 PolarHBondContact O-N 2.83Å; R695-M697 VanDerWaalsContact C-N 3.26Å; M697-W699 HydrophobicContact CB-CZ2 4.49Å; M697-W699 PolarHBondContact O-N 2.92Å; M697-A700 HydrophobicContact CE-CB 3.53Å; M697-A700 VanDerWaalsContact O-CB 3.26Å; M697-A700 WeakPolarHBondContact O-CB 3.36Å; M697-A700 PolarHBondContact O-N 2.91Å
698	S	95.3	Very high	93.7	Very high	62 Å²	62	71.4 Å²	71.4	43%	0.434	37%	0.369	S	S	.	.	G	3₁₀ helix	trans	-57.8	-19.5	179.8	58.1	0	0	0	0	113.8	E694 A700 R701	E694-S698 PolarHBondContact O-N 2.94Å; S698-A700 PolarHBondContact O-N 3.02Å; S698-R701 VanDerWaalsContact O-CD 3.3Å; S698-R701 WeakPolarHBondContact O-CD 3.35Å; S698-R701 VanDerWaalsContact O-CG 3.23Å; S698-R701 WeakPolarHBondContact O-CG 3.44Å
699	W	94.9	Very high	93.6	Very high	77 Å²	77	71.5 Å²	71.5	29%	0.292	36%	0.362	S	S	.	.	G	3₁₀ helix	trans	-70.1	-12.7	172.6	56.4	-100.5	0	0	0	114.2	E439 M441 F595 N597 S696 M697	E439-W699 HydrophobicContact CB-CH2 4.31Å; E439-W699 HydrophobicContact CB-CZ2 3.81Å; E439-W699 HydrophobicContact CG-CH2 4.14Å; E439-W699 HydrophobicContact CG-CZ2 3.43Å; E439-W699 VanDerWaalsContact CG-CZ2 3.43Å; M441-W699 HydrophobicContact CB-CH2 3.94Å; M441-W699 HydrophobicContact CB-CZ2 3.94Å; M441-W699 HydrophobicContact SD-CZ2 4.4Å; F595-W699 HydrophobicContact CB-CH2 3.54Å; F595-W699 HydrophobicContact CB-CZ3 3.61Å; N597-W699 HydrophobicContact CB-CD2 3.87Å; N597-W699 HydrophobicContact CB-CE3 3.57Å; N597-W699 HydrophobicContact CB-CG 4.49Å; N597-W699 HydrophobicContact CB-CH2 4.26Å; N597-W699 HydrophobicContact CB-CZ3 3.76Å; S696-W699 PolarHBondContact O-NE1 3.43Å; M697-W699 HydrophobicContact CB-CZ2 4.49Å; M697-W699 PolarHBondContact O-N 2.92Å
700	A	93.8	Very high	93.5	Very high	13 Å²	13	69.7 Å²	69.7	11%	0.107	36%	0.356	C	S	.	.	G	3₁₀ helix	trans	-90.8	0.6	179.8	0	0	0	0	0	113.8	F595 H686 M697 S698	F595-A700 HydrophobicContact CB-CB 4.26Å; F595-A700 HydrophobicContact CD1-CB 3.76Å; F595-A700 HydrophobicContact CE1-CB 4.25Å; F595-A700 HydrophobicContact CG-CB 3.98Å; H686-A700 HydrophobicContact CB-CB 4.36Å; H686-A700 WeakPolarHBondContact CB-O 3.3Å; M697-A700 HydrophobicContact CE-CB 3.53Å; M697-A700 VanDerWaalsContact O-CB 3.26Å; M697-A700 WeakPolarHBondContact O-CB 3.36Å; M697-A700 PolarHBondContact O-N 2.91Å; S698-A700 PolarHBondContact O-N 3.02Å
701	R	92	Very high	93.3	Very high	86 Å²	86	66.8 Å²	66.8	33%	0.325	32%	0.324	S	S	.	.			trans	-70.8	0	-175.4	-68.1	174.2	-170.3	-159.2	-3.3	115.4	Y651 E689 E694 S698	Y651-R701 PolarHBondContact N-OXT 2.66Å; Y651-R701 VanDerWaalsContact N-OXT 3.1Å; E689-R701 IonicContact OE2-CZ 2.72Å; E689-R701 IonicContact OE2-NE 3.22Å; E689-R701 IonicContact OE2-NH1 2.83Å; E689-R701 PolarHBondContact OE2-NH1 2.76Å; E689-R701 IonicContact OE2-NH2 3.28Å; E689-R701 PolarHBondContact OE2-NH2 3.38Å; E694-R701 VanDerWaalsContact CD-NH2 3.31Å; E694-R701 WeakPolarHBondContact OE1-CG 3.49Å; E694-R701 IonicContact OE1-CZ 3.6Å; E694-R701 VanDerWaalsContact OE1-CZ 3.31Å; E694-R701 IonicContact OE1-NE 3.43Å; E694-R701 PolarHBondContact OE1-NE 2.9Å; E694-R701 IonicContact OE1-NH2 3.4Å; E694-R701 PolarHBondContact OE1-NH2 2.86Å; E694-R701 IonicContact OE2-CZ 2.58Å; E694-R701 IonicContact OE2-NE 2.67Å; E694-R701 IonicContact OE2-NH2 3.64Å; E694-R701 PolarHBondContact OE2-NH2 3.03Å; S698-R701 VanDerWaalsContact O-CD 3.3Å; S698-R701 WeakPolarHBondContact O-CD 3.35Å; S698-R701 VanDerWaalsContact O-CG 3.23Å; S698-R701 WeakPolarHBondContact O-CG 3.44Å

Retrieved 701 of 701 residues in 227.8 ms (Link to these results)

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