A0A087X8A4_POEFO Loading...

Delta-1-pyrroline-5-carboxylate synthase

Bifunctional enzyme that converts glutamate to glutamate 5-semialdehyde, an intermediate in the biosynthesis of proline, ornithine and arginine.

AlphaFold DB , UniProt , Accession A0A087X8A4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 785 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	45.1	Very low	35	Very low	222 Å²	222	170.6 Å²	170.6	100%	1.094	87%	0.867	S	S	*	*				0	-16.3	0	-105.3	171.7	123.5	0	0	115.5
2	L	33.3	Very low	35.2	Very low	158 Å²	158	167.2 Å²	167.2	83%	0.827	85%	0.85	S	S	*	*			trans	-86.8	-12	171.8	-131.7	81.3	0	0	0	114.3
3	L	32.9	Very low	35.4	Very low	166 Å²	166	159.6 Å²	159.6	87%	0.869	82%	0.822	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.5	-2.9	-176	-94.2	132.8	0	0	0	115
4	Q	35.8	Very low	35.5	Very low	176 Å²	176	156.4 Å²	156.4	82%	0.822	82%	0.816	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.6	-5.8	178.4	-110.9	173.6	-13.3	0	0	113.9
5	K	35	Very low	35.6	Very low	194 Å²	194	156.8 Å²	156.8	84%	0.843	81%	0.812	S	S	*	*	S	Bend	trans	-100.7	6.3	-179.5	-81.3	-170.4	174.4	-175.9	0	115.3
6	L	33.6	Very low	35.6	Very low	156 Å²	156	157.4 Å²	157.4	82%	0.817	80%	0.801	S	S	*	*	S	Bend	trans	-106.1	7.9	178.5	-82.9	158.7	0	0	0	114.3	L8	L6-L8 PolarHBondContact O-N 3.37Å
7	K	32.1	Very low	35.6	Very low	194 Å²	194	157.5 Å²	157.5	84%	0.843	80%	0.795	S	S	*	*	S	Bend	trans	-96	47.5	173.5	-89.3	-170.2	176.2	-178.2	0	112.5
8	L	35	Very low	35.4	Very low	168 Å²	168	157.2 Å²	157.2	88%	0.88	79%	0.79	S	S	*	*	S	Bend	trans	-161.2	72.1	168.5	-115.6	123.7	0	0	0	110.1	L6	L6-L8 PolarHBondContact O-N 3.37Å
9	C	29.8	Very low	35.3	Very low	135 Å²	135	156.8 Å²	156.8	91%	0.912	78%	0.783	S	S	*	*			trans	-173.6	120.3	147.3	-103.7	0	0	0	0	108.8
10	S	33.3	Very low	35	Very low	110 Å²	110	154.4 Å²	154.4	77%	0.769	77%	0.772	S	S	*	*			trans	-83.7	158.7	-173	47.5	0	0	0	0	112.4
11	K	39	Very low	34.8	Very low	198 Å²	198	150.7 Å²	150.7	86%	0.861	76%	0.758	S	S	*	*			trans	86.4	81.2	167.8	-56.7	-176.5	177.4	179.8	0	117.7
12	I	37.6	Very low	34.1	Very low	129 Å²	129	147.9 Å²	147.9	66%	0.662	74%	0.739	S	S	*	*			trans	-136.8	132.2	149.3	-58.5	-179	0	0	0	108.4	R16	I12-R16 HydrophobicContact CG2-CB 3.48Å; I12-R16 VanDerWaalsContact CG2-CB 3.48Å; I12-R16 HydrophobicContact CG2-CG 4.22Å
13	S	37.9	Very low	34	Very low	69 Å²	69	146.3 Å²	146.3	48%	0.483	73%	0.728	S	S	.	*			trans	-70.3	157.3	-174.2	62.3	0	0	0	0	113.7	Q15 R16	S13-Q15 PolarHBondContact O-N 2.85Å; S13-Q15 VanDerWaalsContact O-N 3.08Å; S13-R16 PolarHBondContact O-N 2.93Å; S13-R16 VanDerWaalsContact O-N 3.09Å
14	P	36.3	Very low	33.7	Very low	115 Å²	115	144.2 Å²	144.2	75%	0.747	72%	0.717	S	S	*	*	H	α-helix	trans	-59.4	-24.7	-174.4	-22.6	32.4	0	0	0	114.8	R16 F17	P14-R16 VanDerWaalsContact C-N 3.32Å; P14-R16 PolarHBondContact O-N 3.43Å; P14-F17 PolarHBondContact O-N 3.06Å
15	Q	37.5	Very low	33.4	Very low	162 Å²	162	141.5 Å²	141.5	76%	0.757	71%	0.713	S	S	*	*	H	α-helix	trans	-72.1	-20.8	179.2	-76	176.1	-19.1	0	0	113.7	S13	S13-Q15 PolarHBondContact O-N 2.85Å; S13-Q15 VanDerWaalsContact O-N 3.08Å
16	R	36.1	Very low	33.2	Very low	167 Å²	167	139.4 Å²	139.4	63%	0.63	71%	0.706	S	S	*	*	H	α-helix	trans	-85.2	-17.8	174.9	-96.5	-179.7	174.5	-176.9	-0.7	113.6	I12 S13 P14 L20	I12-R16 HydrophobicContact CG2-CB 3.48Å; I12-R16 VanDerWaalsContact CG2-CB 3.48Å; I12-R16 HydrophobicContact CG2-CG 4.22Å; S13-R16 PolarHBondContact O-N 2.93Å; S13-R16 VanDerWaalsContact O-N 3.09Å; P14-R16 VanDerWaalsContact C-N 3.32Å; P14-R16 PolarHBondContact O-N 3.43Å; R16-L20 WeakPolarHBondContact O-CD1 3.47Å; R16-L20 PolarHBondContact O-N 3.14Å
17	F	34	Very low	32.9	Very low	159 Å²	159	134.1 Å²	134.1	70%	0.697	69%	0.689	S	S	*	*	H	α-helix	trans	-76.6	-31.6	178.2	-135.7	-94.1	0	0	0	112.4	P14 T21	P14-F17 PolarHBondContact O-N 3.06Å; F17-T21 PolarHBondContact O-N 3.45Å; F17-T21 VanDerWaalsContact O-N 3.17Å; F17-T21 PolarHBondContact O-OG1 3.04Å
18	Q	33.6	Very low	32.7	Very low	151 Å²	151	134.2 Å²	134.2	71%	0.706	69%	0.69	S	S	*	*	H	α-helix	trans	-72.8	-27.9	172.9	-100	175.9	-15.9	0	0	113.4	T21 K22	Q18-T21 WeakPolarHBondContact CA-OG1 3.46Å; Q18-K22 PolarHBondContact O-N 2.7Å
19	F	33.4	Very low	32.5	Very low	150 Å²	150	132.9 Å²	132.9	66%	0.658	69%	0.689	S	S	*	*	H	α-helix	trans	-75.3	-36.2	174.5	-120.4	-89.7	0	0	0	112.2	H23	F19-H23 PolarHBondContact O-N 3.43Å
20	L	29.4	Very low	32.6	Very low	109 Å²	109	130.2 Å²	130.2	57%	0.571	68%	0.676	S	S	*	*	H	α-helix	trans	-75.6	-29.9	176.2	-95.9	99.7	0	0	0	113.7	R16 H23 L24	R16-L20 WeakPolarHBondContact O-CD1 3.47Å; R16-L20 PolarHBondContact O-N 3.14Å; L20-H23 PolarHBondContact O-N 3.12Å; L20-L24 HydrophobicContact CD2-CD1 4.41Å; L20-L24 WeakPolarHBondContact O-CB 3.46Å; L20-L24 WeakPolarHBondContact O-CD1 3.49Å; L20-L24 PolarHBondContact O-N 3.26Å
21	T	29.4	Very low	32.3	Very low	76 Å²	76	132.7 Å²	132.7	47%	0.466	68%	0.68	S	S	.	*	H	α-helix	trans	-75.5	-26.7	176.9	31.8	0	0	0	0	113.5	F17 Q18 T25	F17-T21 PolarHBondContact O-N 3.45Å; F17-T21 VanDerWaalsContact O-N 3.17Å; F17-T21 PolarHBondContact O-OG1 3.04Å; Q18-T21 WeakPolarHBondContact CA-OG1 3.46Å; T21-T25 PolarHBondContact O-N 3.24Å; T21-T25 PolarHBondContact O-OG1 2.96Å
22	K	31.8	Very low	31.8	Very low	163 Å²	163	131.6 Å²	131.6	71%	0.709	68%	0.683	S	S	*	*	H	α-helix	trans	-71.3	-35.1	168.5	-101.4	-177.5	174.4	-179.2	0	113	Q18 T25	Q18-K22 PolarHBondContact O-N 2.7Å; K22-T25 PolarHBondContact O-OG1 3.4Å
23	H	30.9	Very low	31.3	Very low	125 Å²	125	132.2 Å²	132.2	58%	0.579	69%	0.687	S	S	*	*	H	α-helix	trans	-80.7	-23.1	176.8	-92.9	-55.5	0	0	0	114.5	F19 L20 G27	F19-H23 PolarHBondContact O-N 3.43Å; L20-H23 PolarHBondContact O-N 3.12Å; H23-G27 PolarHBondContact O-N 3.08Å
24	L	27	Very low	31.3	Very low	123 Å²	123	141 Å²	141	64%	0.644	71%	0.71	S	S	*	*	H	α-helix	trans	-87.3	-8.8	177.1	-82.3	154.9	0	0	0	114.3	L20	L20-L24 HydrophobicContact CD2-CD1 4.41Å; L20-L24 WeakPolarHBondContact O-CB 3.46Å; L20-L24 WeakPolarHBondContact O-CD1 3.49Å; L20-L24 PolarHBondContact O-N 3.26Å
25	T	28.3	Very low	31.2	Very low	119 Å²	119	141 Å²	141	73%	0.73	71%	0.708	S	S	*	*	H	α-helix	trans	-98.6	-15.9	168.9	42	0	0	0	0	113.4	T21 K22	T21-T25 PolarHBondContact O-N 3.24Å; T21-T25 PolarHBondContact O-OG1 2.96Å; K22-T25 PolarHBondContact O-OG1 3.4Å
26	Q	30.5	Very low	31.5	Very low	149 Å²	149	139.8 Å²	139.8	70%	0.696	70%	0.702	S	S	*	*	S	Bend	trans	-94.7	-0.5	166.5	-76.4	-177.5	-21.1	0	0	113.8
27	G	27.8	Very low	32.4	Very low	46 Å²	46	134.9 Å²	134.9	47%	0.474	70%	0.703	S	S	.	*	S	Bend	trans	-102.6	13.7	-174.3	0	0	0	0	0	116.3	H23	H23-G27 PolarHBondContact O-N 3.08Å
28	K	27.7	Very low	34.3	Very low	196 Å²	196	132.3 Å²	132.3	85%	0.852	70%	0.704	S	S	*	*	S	Bend	trans	-116.2	16	178.3	-87.7	-170.5	176	-176.2	0	115.4
29	T	32.2	Very low	36.7	Very low	140 Å²	140	125.6 Å²	125.6	86%	0.859	67%	0.674	S	S	*	*	S	Bend	trans	-123.5	28.2	165.9	34.9	0	0	0	0	111.5
30	A	30.4	Very low	39.3	Very low	79 Å²	79	120 Å²	120	65%	0.653	65%	0.649	S	S	*	*			trans	-128.6	71.1	177.3	0	0	0	0	0	109.6
31	L	27.6	Very low	41.9	Very low	162 Å²	162	115.7 Å²	115.7	85%	0.848	63%	0.63	S	S	*	*			trans	-152.9	59.1	162.6	-105.4	156.9	0	0	0	108.4
32	L	28.6	Very low	44.5	Very low	175 Å²	175	115.8 Å²	115.8	92%	0.916	63%	0.625	S	S	*	*	S	Bend	trans	-127.1	111.9	150.2	-87.7	162.3	0	0	0	105.8	R34	L32-R34 PolarHBondContact O-N 2.78Å
33	N	26.6	Very low	47.1	Very low	141 Å²	141	108.9 Å²	108.9	75%	0.754	59%	0.594	S	S	*	*			trans	-51	131.2	180	-73.2	-35.7	0	0	0	111.5	V35	N33-V35 PolarHBondContact O-N 2.88Å; N33-V35 VanDerWaalsContact O-N 3.14Å
34	R	38	Very low	49.6	Very low	253 Å²	253	105 Å²	105	96%	0.955	59%	0.588	S	S	*	*	S	Bend	trans	-62.9	104.6	165.8	-87.2	-179.1	165.9	-177.1	-4.1	110.2	L32	L32-R34 PolarHBondContact O-N 2.78Å
35	V	34.3	Very low	52.5	Low	117 Å²	117	103.3 Å²	103.3	71%	0.709	58%	0.576	S	S	*	*			trans	-159.9	69.3	154.7	-168.6	0	0	0	0	110.6	N33	N33-V35 PolarHBondContact O-N 2.88Å; N33-V35 VanDerWaalsContact O-N 3.14Å
36	H	43.2	Very low	55.4	Low	136 Å²	136	97.7 Å²	97.7	63%	0.63	54%	0.541	S	S	*	.			trans	-144.5	144	173.4	-71.5	89.4	0	0	0	111.2
37	G	55.6	Low	58.4	Low	63 Å²	63	96.6 Å²	96.6	65%	0.649	53%	0.53	S	S	*	.	P	Polyproline II helix	trans	-60.3	137	-178.7	0	0	0	0	0	111.6
38	S	73.3	Confident	61.4	Low	105 Å²	105	101.7 Å²	101.7	73%	0.734	54%	0.54	S	S	*	.	P	Polyproline II helix	trans	-78.2	140.3	177.1	58.2	0	0	0	0	110.6
39	S	85.4	Confident	64.5	Low	10 Å²	10	92.3 Å²	92.3	7%	0.07	50%	0.499	C	S	.	.	P	Polyproline II helix	trans	-54	153.3	170.3	71.7	0	0	0	0	111.5	A41 G301 E334	S39-A41 PolarHBondContact O-N 3.18Å; S39-G301 WeakPolarHBondContact CA-O 3.43Å; S39-G301 PolarHBondContact N-O 3.08Å; S39-E334 PolarHBondContact OG-OE2 2.82Å
40	F	88.4	Confident	67.5	Low	32 Å²	32	93 Å²	93	14%	0.14	49%	0.49	C	S	.	.	P	Polyproline II helix	trans	-71.1	129.2	176.8	-67.2	-56.2	0	0	0	110.3	K45 L46 K48 A49 D239 S303 F331	F40-K45 HydrophobicContact CB-CB 4.08Å; F40-K45 HydrophobicContact CD1-CB 3.54Å; F40-K45 HydrophobicContact CD1-CD 4.24Å; F40-K45 HydrophobicContact CE1-CB 4.19Å; F40-K45 HydrophobicContact CG-CB 3.91Å; F40-L46 HydrophobicContact CB-CD2 4.47Å; F40-L46 HydrophobicContact CD2-CD2 3.76Å; F40-L46 HydrophobicContact CG-CD2 4.48Å; F40-K48 HydrophobicContact CE1-CB 4.43Å; F40-K48 HydrophobicContact CZ-CB 4.35Å; F40-A49 HydrophobicContact CE2-CB 3.92Å; F40-A49 HydrophobicContact CZ-CB 4.46Å; F40-D239 HydrophobicContact CE2-CB 3.93Å; F40-D239 HydrophobicContact CZ-CB 4.24Å; F40-S303 WeakPolarHBondContact CB-OG 3.05Å; F40-S303 WeakPolarHBondContact CD2-OG 3.42Å; F40-S303 PolarHBondContact N-OG 2.91Å; F40-F331 HydrophobicContact CB-CZ 4.26Å; F40-F331 VanDerWaalsContact O-CZ 3.24Å; F40-F331 WeakPolarHBondContact O-CZ 3.48Å
41	A	83.3	Confident	70.7	Confident	20 Å²	20	91.2 Å²	91.2	17%	0.165	47%	0.466	C	S	.	.	S	Bend	trans	-74.2	-27.4	177.2	0	0	0	0	0	114.1	S39 S333 V335	S39-A41 PolarHBondContact O-N 3.18Å; A41-S333 PolarHBondContact O-OG 2.98Å; A41-V335 HydrophobicContact CB-CB 4.22Å; A41-V335 HydrophobicContact CB-CG2 3.67Å
42	H	83.9	Confident	74	Confident	77 Å²	77	83.5 Å²	83.5	36%	0.356	43%	0.426	S	S	.	.	S	Bend	trans	-138.7	146.9	-172.2	-54.3	-63.5	0	0	0	111.2	G44 K45	H42-G44 VanDerWaalsContact C-N 3.34Å; H42-G44 PolarHBondContact O-N 3.09Å; H42-K45 WeakPolarHBondContact O-CB 3.48Å; H42-K45 PolarHBondContact O-N 2.84Å
43	R	85.9	Confident	77.3	Confident	18 Å²	18	75.2 Å²	75.2	7%	0.068	38%	0.382	C	S	.	.	G	3₁₀ helix	trans	-58	-39.4	-176.5	-151.2	174.2	-172.4	142.4	10.3	113.9	K45 L46 D264 G325 K326 K327 V328 G329 F331	R43-K45 PolarHBondContact O-N 3.47Å; R43-L46 HydrophobicContact CG-CD1 3.81Å; R43-L46 WeakPolarHBondContact O-CB 3.48Å; R43-L46 WeakPolarHBondContact O-CG 3.22Å; R43-L46 PolarHBondContact O-N 3.45Å; R43-D264 PolarHBondContact NH1-O 2.71Å; R43-D264 VanDerWaalsContact NH1-O 3.17Å; R43-G325 WeakPolarHBondContact CD-O 3.42Å; R43-G325 WeakPolarHBondContact CG-O 3.36Å; R43-K326 PolarHBondContact NE-O 3.45Å; R43-K326 PolarHBondContact NH2-O 3.17Å; R43-K327 VanDerWaalsContact CZ-CA 3.5Å; R43-V328 PolarHBondContact NH2-O 2.64Å; R43-G329 PolarHBondContact NH1-O 3.36Å; R43-G329 PolarHBondContact NH2-O 2.99Å; R43-F331 HydrophobicContact CB-CD1 4.3Å; R43-F331 HydrophobicContact CG-CB 4.48Å; R43-F331 HydrophobicContact CG-CG 4.44Å
44	G	82.7	Confident	80.7	Confident	43 Å²	43	68.5 Å²	68.5	44%	0.443	35%	0.346	S	S	.	.	G	3₁₀ helix	trans	-61.4	-15.9	175.7	0	0	0	0	0	114.8	H42 L46	H42-G44 VanDerWaalsContact C-N 3.34Å; H42-G44 PolarHBondContact O-N 3.09Å; G44-L46 VanDerWaalsContact C-N 3.35Å
45	K	87.9	Confident	83.4	Confident	89 Å²	89	56.8 Å²	56.8	39%	0.387	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-80.4	-14.4	173.7	-64.7	-176.2	176.8	176.5	0	113	F40 H42 R43 R47 K48	F40-K45 HydrophobicContact CB-CB 4.08Å; F40-K45 HydrophobicContact CD1-CB 3.54Å; F40-K45 HydrophobicContact CD1-CD 4.24Å; F40-K45 HydrophobicContact CE1-CB 4.19Å; F40-K45 HydrophobicContact CG-CB 3.91Å; H42-K45 WeakPolarHBondContact O-CB 3.48Å; H42-K45 PolarHBondContact O-N 2.84Å; R43-K45 PolarHBondContact O-N 3.47Å; K45-R47 PolarHBondContact O-N 3.15Å; K45-R47 VanDerWaalsContact O-N 3.14Å; K45-K48 WeakPolarHBondContact O-CB 3.42Å; K45-K48 PolarHBondContact O-N 2.86Å
46	L	90.9	Very high	86.2	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-57.7	-27.8	177.5	-64.4	-177.9	0	0	0	112.4	F40 R43 G44 K48 A49 L240 V305 I322 V323 F331	F40-L46 HydrophobicContact CB-CD2 4.47Å; F40-L46 HydrophobicContact CD2-CD2 3.76Å; F40-L46 HydrophobicContact CG-CD2 4.48Å; R43-L46 HydrophobicContact CG-CD1 3.81Å; R43-L46 WeakPolarHBondContact O-CB 3.48Å; R43-L46 WeakPolarHBondContact O-CG 3.22Å; R43-L46 PolarHBondContact O-N 3.45Å; G44-L46 VanDerWaalsContact C-N 3.35Å; L46-K48 PolarHBondContact O-N 3.08Å; L46-A49 WeakPolarHBondContact O-CB 3.45Å; L46-A49 PolarHBondContact O-N 3.46Å; L46-L240 HydrophobicContact CD2-CD1 3.78Å; L46-L240 HydrophobicContact CD2-CD2 4.23Å; L46-L240 HydrophobicContact CD2-CG 4.5Å; L46-V305 HydrophobicContact CD1-CG2 4.01Å; L46-I322 HydrophobicContact CD1-CG2 4.19Å; L46-I322 WeakPolarHBondContact CD1-O 3.45Å; L46-V323 CarbonylContact C-O 3.55Å; L46-F331 HydrophobicContact CD1-CD2 4.25Å; L46-F331 HydrophobicContact CD1-CE2 4.38Å; L46-F331 HydrophobicContact CD2-CD2 4.46Å; L46-F331 HydrophobicContact CD2-CE2 3.84Å; L46-F331 HydrophobicContact CD2-CZ 4.44Å; L46-F331 HydrophobicContact CG-CE2 4.39Å
47	R	91.8	Very high	88.4	Confident	126 Å²	126	45 Å²	45	48%	0.475	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-53.9	-27.3	173.4	-70.7	-175.6	-176.1	-159.3	2.1	113.3	K45 R89 V323 E324 E525	K45-R47 PolarHBondContact O-N 3.15Å; K45-R47 VanDerWaalsContact O-N 3.14Å; R47-R89 PolarHBondContact O-NH1 2.88Å; R47-R89 PolarHBondContact O-NH2 2.78Å; R47-V323 WeakPolarHBondContact CA-O 3.24Å; R47-V323 VanDerWaalsContact CG-O 3.28Å; R47-V323 WeakPolarHBondContact CG-O 3.31Å; R47-V323 PolarHBondContact N-O 2.97Å; R47-E324 VanDerWaalsContact CZ-O 3.32Å; R47-E324 PolarHBondContact NE-O 3.36Å; R47-E324 PolarHBondContact NH2-O 2.79Å; R47-E525 IonicContact NH2-OE1 2.75Å
48	K	91.2	Very high	89.7	Confident	153 Å²	153	43.6 Å²	43.6	67%	0.665	22%	0.222	S	C	*	.	G	3₁₀ helix	trans	-88.5	-4.1	-178.4	-56.7	-176.2	179.2	-174.7	0	113.8	F40 K45 L46 K50	F40-K48 HydrophobicContact CE1-CB 4.43Å; F40-K48 HydrophobicContact CZ-CB 4.35Å; K45-K48 WeakPolarHBondContact O-CB 3.42Å; K45-K48 PolarHBondContact O-N 2.86Å; L46-K48 PolarHBondContact O-N 3.08Å; K48-K50 PolarHBondContact O-N 3.23Å
49	A	94.4	Very high	90.2	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.195	C	C	.	.			trans	-62.8	117.4	179.8	0	0	0	0	0	110.8	F40 L46 I52 R89 D239 L240	F40-A49 HydrophobicContact CE2-CB 3.92Å; F40-A49 HydrophobicContact CZ-CB 4.46Å; L46-A49 WeakPolarHBondContact O-CB 3.45Å; L46-A49 PolarHBondContact O-N 3.46Å; A49-I52 HydrophobicContact CB-CD1 4.14Å; A49-I52 HydrophobicContact CB-CG1 4.05Å; A49-R89 PolarHBondContact O-NH1 2.74Å; A49-D239 HydrophobicContact CB-CB 3.92Å; A49-L240 HydrophobicContact CB-CB 3.9Å; A49-L240 HydrophobicContact CB-CD2 4.33Å
50	K	94.8	Very high	90.2	Very high	154 Å²	154	39.1 Å²	39.1	67%	0.67	19%	0.192	S	C	*	.			trans	-90.5	-47.3	179.2	-68.2	-173.8	175.2	-172.6	0	111.3	K48 R89 E90 D239	K48-K50 PolarHBondContact O-N 3.23Å; K50-R89 CarbonylContact O-C 3.58Å; K50-R89 WeakPolarHBondContact O-CA 3.26Å; K50-R89 WeakPolarHBondContact O-CB 3.37Å; K50-E90 PolarHBondContact O-N 3.07Å; K50-D239 WeakPolarHBondContact CA-OD2 3.49Å; K50-D239 WeakPolarHBondContact CB-OD2 3.38Å; K50-D239 PolarHBondContact N-OD2 3.31Å
51	R	96.7	Very high	90.2	Very high	42 Å²	42	37.6 Å²	37.6	16%	0.158	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	119.2	179.8	-175	174.8	-66.1	175.5	-0.1	110.3	E90 M236 A238 D239 L240	R51-E90 WeakPolarHBondContact CA-O 3.19Å; R51-E90 HydrophobicContact CB-CB 4.28Å; R51-E90 HydrophobicContact CG-CB 4.26Å; R51-E90 IonicContact CZ-OE2 3.98Å; R51-E90 IonicContact NE-OE2 3.23Å; R51-E90 PolarHBondContact NE-OE2 3.38Å; R51-E90 IonicContact NH2-OE1 3.38Å; R51-E90 IonicContact NH2-OE2 2.83Å; R51-E90 PolarHBondContact NH2-OE2 3.11Å; R51-M236 WeakPolarHBondContact CD-O 3.42Å; R51-M236 PolarHBondContact NH1-O 3.07Å; R51-A238 HydrophobicContact CG-CB 4.11Å; R51-D239 PolarHBondContact N-OD2 3.07Å; R51-D239 PolarHBondContact O-N 3.16Å; R51-L240 PolarHBondContact O-N 3.34Å
52	I	97.8	Very high	90.3	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	126.1	-170.8	-52.5	178	0	0	0	110	A49 V54 E90 M91 M92 L240 I242 V323	A49-I52 HydrophobicContact CB-CD1 4.14Å; A49-I52 HydrophobicContact CB-CG1 4.05Å; I52-V54 HydrophobicContact CG2-CG2 4.21Å; I52-E90 PolarHBondContact N-O 3.31Å; I52-M91 HydrophobicContact CB-CE 3.89Å; I52-M91 HydrophobicContact CB-SD 3.81Å; I52-M91 HydrophobicContact CD1-CE 4.48Å; I52-M91 HydrophobicContact CD1-SD 4.05Å; I52-M91 HydrophobicContact CG1-SD 4.26Å; I52-M91 HydrophobicContact CG2-CE 3.95Å; I52-M92 PolarHBondContact O-N 2.99Å; I52-L240 WeakPolarHBondContact CA-O 3.34Å; I52-L240 HydrophobicContact CG1-CB 4.4Å; I52-L240 HydrophobicContact CG2-CB 4.41Å; I52-L240 HydrophobicContact CG2-CD2 4.36Å; I52-L240 HydrophobicContact CG2-CG 4.37Å; I52-I242 HydrophobicContact CG2-CD1 4.05Å; I52-I242 HydrophobicContact CG2-CG1 4.34Å; I52-V323 HydrophobicContact CD1-CG1 4.5Å; I52-V323 HydrophobicContact CD1-CG2 3.74Å
53	V	98.1	Very high	90.2	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	124.4	171.3	-179.4	0	0	0	0	108.8	M92 V94 A233 A238 L240 L241 I242	V53-M92 CarbonylContact C-O 3.54Å; V53-M92 WeakPolarHBondContact CA-O 3.49Å; V53-M92 HydrophobicContact CG2-CB 4.28Å; V53-M92 HydrophobicContact CG2-SD 4.27Å; V53-V94 HydrophobicContact CG1-CG2 3.84Å; V53-A233 HydrophobicContact CB-CB 4.23Å; V53-A233 HydrophobicContact CG2-CB 3.92Å; V53-A238 HydrophobicContact CG2-CB 3.78Å; V53-L240 PolarHBondContact N-O 2.89Å; V53-L241 HydrophobicContact CB-CD1 3.93Å; V53-L241 HydrophobicContact CG1-CD1 3.75Å; V53-L241 CarbonylContact O-C 3.58Å; V53-L241 WeakPolarHBondContact O-CA 3.43Å; V53-I242 PolarHBondContact O-N 2.72Å
54	V	97.3	Very high	89.5	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	114.7	175.3	-176.5	0	0	0	0	108.8	I52 L56 V81 M91 M92 I93 V94 I242 L244 I319	I52-V54 HydrophobicContact CG2-CG2 4.21Å; V54-L56 HydrophobicContact CG1-CD2 3.9Å; V54-V81 HydrophobicContact CG2-CG2 4.26Å; V54-M91 HydrophobicContact CG2-CE 3.87Å; V54-M92 PolarHBondContact N-O 2.85Å; V54-I93 CarbonylContact O-C 3.54Å; V54-I93 WeakPolarHBondContact O-CA 3.47Å; V54-V94 PolarHBondContact O-N 3.25Å; V54-I242 WeakPolarHBondContact CA-O 3.24Å; V54-L244 HydrophobicContact CG1-CD1 4.21Å; V54-I319 HydrophobicContact CG1-CD1 3.78Å; V54-I319 HydrophobicContact CG1-CG1 4.46Å; V54-I319 HydrophobicContact CG2-CD1 4.28Å; V54-I319 HydrophobicContact CG2-CG2 4.33Å
55	K	95.3	Very high	88.7	Confident	7 Å²	7	47.4 Å²	47.4	3%	0.03	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	130.7	174.9	178.7	-93.8	172.3	168.7	0	110.3	V94 D226 A229 L241 I242 L244	K55-V94 CarbonylContact C-O 2.84Å; K55-V94 VanDerWaalsContact CA-O 3.32Å; K55-V94 WeakPolarHBondContact CA-O 3.5Å; K55-V94 HydrophobicContact CB-CB 4.36Å; K55-V94 HydrophobicContact CG-CB 4.43Å; K55-D226 WeakPolarHBondContact CE-OD1 3.48Å; K55-D226 IonicContact NZ-OD1 3.94Å; K55-D226 PolarHBondContact NZ-OD1 3.1Å; K55-D226 IonicContact NZ-OD2 2.88Å; K55-A229 HydrophobicContact CB-CB 3.68Å; K55-A229 HydrophobicContact CG-CB 3.76Å; K55-L241 HydrophobicContact CB-CD1 4.41Å; K55-I242 PolarHBondContact N-O 2.7Å; K55-L244 WeakPolarHBondContact O-CB 3.31Å; K55-L244 PolarHBondContact O-N 3.19Å
56	L	93.1	Very high	87.4	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	111	177	-53.3	-178.9	0	0	0	109.5	V54 V60 V61 L74 I77 I93 V94 S96 Y152 L244	V54-L56 HydrophobicContact CG1-CD2 3.9Å; L56-V60 HydrophobicContact CD2-CG1 4.36Å; L56-V61 HydrophobicContact CB-CG2 3.83Å; L56-L74 HydrophobicContact CD1-CD2 4.37Å; L56-I77 HydrophobicContact CD1-CG2 4.1Å; L56-I77 HydrophobicContact CD2-CD1 3.95Å; L56-I77 HydrophobicContact CD2-CG2 3.95Å; L56-I93 HydrophobicContact CD1-CG2 3.91Å; L56-I93 HydrophobicContact CG-CG2 4.25Å; L56-V94 PolarHBondContact N-O 3.34Å; L56-S96 PolarHBondContact O-N 3.12Å; L56-Y152 VanDerWaalsContact CD1-OH 3.25Å; L56-Y152 WeakPolarHBondContact CD1-OH 3.36Å; L56-L244 HydrophobicContact CD2-CB 4.27Å; L56-L244 HydrophobicContact CD2-CD1 3.79Å; L56-L244 HydrophobicContact CD2-CG 4.43Å
57	G	88	Confident	85.9	Confident	5 Å²	5	50.5 Å²	50.5	5%	0.052	24%	0.24	C	C	.	.			trans	-64.4	156.7	173.3	0	0	0	0	0	112.6	A59 V60 V61 L244	G57-A59 VanDerWaalsContact C-N 3.27Å; G57-A59 PolarHBondContact O-N 3.31Å; G57-V60 WeakPolarHBondContact O-CA 3.47Å; G57-V60 WeakPolarHBondContact O-CB 3.3Å; G57-V60 PolarHBondContact O-N 3.44Å; G57-V61 PolarHBondContact O-N 3.11Å; G57-V61 VanDerWaalsContact O-N 3.14Å; G57-L244 PolarHBondContact N-O 3.48Å
58	S	83.7	Confident	84.9	Confident	34 Å²	34	44.5 Å²	44.5	24%	0.238	22%	0.218	C	C	.	.	H	α-helix	trans	-55.8	-43	-179.6	-40.3	0	0	0	0	111.7	V60 V61 T62 S96	S58-V60 PolarHBondContact O-N 3.12Å; S58-V61 PolarHBondContact O-N 3.36Å; S58-V61 VanDerWaalsContact O-N 3.09Å; S58-T62 PolarHBondContact O-N 3.37Å; S58-T62 PolarHBondContact O-OG1 3.2Å; S58-S96 PolarHBondContact OG-OG 3.26Å
59	A	83.2	Confident	84.6	Confident	22 Å²	22	38 Å²	38	18%	0.182	19%	0.19	C	C	.	.	H	α-helix	trans	-64.8	-23.1	176.2	0	0	0	0	0	114.3	G57 R73 D246 V282	G57-A59 VanDerWaalsContact C-N 3.27Å; G57-A59 PolarHBondContact O-N 3.31Å; A59-R73 PolarHBondContact O-NH1 2.96Å; A59-D246 HydrophobicContact CB-CB 3.9Å; A59-V282 HydrophobicContact CB-CG2 4.49Å
60	V	87	Confident	84.2	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-75.5	-41.8	172.5	-179.1	0	0	0	0	109.5	L56 G57 S58 R73 I77 L244 T310	L56-V60 HydrophobicContact CD2-CG1 4.36Å; G57-V60 WeakPolarHBondContact O-CA 3.47Å; G57-V60 WeakPolarHBondContact O-CB 3.3Å; G57-V60 PolarHBondContact O-N 3.44Å; S58-V60 PolarHBondContact O-N 3.12Å; V60-R73 WeakPolarHBondContact O-CD 3.35Å; V60-R73 PolarHBondContact O-NH1 3.47Å; V60-I77 HydrophobicContact CG1-CD1 3.62Å; V60-L244 HydrophobicContact CG2-CB 4.22Å; V60-T310 HydrophobicContact CG2-CG2 4.2Å
61	V	87.9	Confident	83.9	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-75.9	-32.2	-177.1	179.4	0	0	0	0	112.3	L56 G57 S58 L69 A70 L74 L148	L56-V61 HydrophobicContact CB-CG2 3.83Å; G57-V61 PolarHBondContact O-N 3.11Å; G57-V61 VanDerWaalsContact O-N 3.14Å; S58-V61 PolarHBondContact O-N 3.36Å; S58-V61 VanDerWaalsContact O-N 3.09Å; V61-L69 HydrophobicContact CG1-CD2 3.49Å; V61-L69 VanDerWaalsContact CG1-CD2 3.49Å; V61-L69 WeakPolarHBondContact O-CA 3.45Å; V61-A70 PolarHBondContact O-N 2.7Å; V61-L74 HydrophobicContact CG1-CD1 4.27Å; V61-L74 HydrophobicContact CG1-CD2 4.39Å; V61-L74 HydrophobicContact CG2-CD2 4.26Å; V61-L148 HydrophobicContact CG1-CD1 4.02Å
62	T	84.2	Confident	83.4	Confident	7 Å²	7	36.7 Å²	36.7	4%	0.043	21%	0.21	C	C	.	.	B	Isolated β-bridge	trans	-98.6	160.2	-177.8	62.2	0	0	0	0	113.4	S58 G68 R73 A100	S58-T62 PolarHBondContact O-N 3.37Å; S58-T62 PolarHBondContact O-OG1 3.2Å; T62-G68 CarbonylContact C-O 3.56Å; T62-G68 VanDerWaalsContact CA-O 3.23Å; T62-G68 WeakPolarHBondContact CA-O 3.42Å; T62-G68 WeakPolarHBondContact CB-O 3.33Å; T62-R73 PolarHBondContact O-NH1 3Å; T62-R73 VanDerWaalsContact O-NH1 3.13Å; T62-A100 HydrophobicContact CG2-CB 3.68Å
63	R	81.9	Confident	83	Confident	134 Å²	134	38.6 Å²	38.6	51%	0.506	22%	0.217	S	C	.	.			trans	-72.9	164.5	169.3	-65.1	178.3	72.5	-161.5	1.2	111.4	D65 E66 G68 L69 A70	R63-D65 WeakPolarHBondContact CB-OD1 3.33Å; R63-D65 IonicContact CZ-OD2 3.51Å; R63-D65 IonicContact NH1-OD2 3.11Å; R63-D65 PolarHBondContact O-N 3.3Å; R63-E66 WeakPolarHBondContact O-CA 3.1Å; R63-E66 PolarHBondContact O-N 2.84Å; R63-G68 PolarHBondContact N-O 3.4Å; R63-L69 WeakPolarHBondContact CG-O 3.49Å; R63-A70 HydrophobicContact CG-CB 4.4Å
64	D	71.6	Confident	82.7	Confident	141 Å²	141	38.6 Å²	38.6	75%	0.754	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-23.9	-178.3	-53.1	-28	0	0	0	113.1	E66 R73	D64-E66 PolarHBondContact O-N 2.91Å; D64-R73 IonicContact OD1-NH2 3.93Å
65	D	66.7	Low	82.4	Confident	81 Å²	81	40.4 Å²	40.4	43%	0.433	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	1.6	172.2	63.6	4	0	0	0	112.9	R63 C67	R63-D65 WeakPolarHBondContact CB-OD1 3.33Å; R63-D65 IonicContact CZ-OD2 3.51Å; R63-D65 IonicContact NH1-OD2 3.11Å; R63-D65 PolarHBondContact O-N 3.3Å; D65-C67 PolarHBondContact O-N 2.78Å; D65-C67 PolarHBondContact O-SG 2.86Å; D65-C67 PolarHBondContact OD1-N 2.76Å
66	E	59.1	Low	82.2	Confident	96 Å²	96	41.1 Å²	41.1	45%	0.449	24%	0.238	S	C	.	.	S	Bend	trans	57.5	12.8	-178.4	-54.6	174.4	-173.4	0	0	113.2	R63 D64 V282	R63-E66 WeakPolarHBondContact O-CA 3.1Å; R63-E66 PolarHBondContact O-N 2.84Å; D64-E66 PolarHBondContact O-N 2.91Å; E66-V282 HydrophobicContact CG-CG1 3.82Å; E66-V282 WeakPolarHBondContact OE1-CG1 3.25Å; E66-V282 WeakPolarHBondContact OE2-CG1 3.45Å
67	C	61.2	Low	82.2	Confident	58 Å²	58	41.3 Å²	41.3	39%	0.392	24%	0.239	S	C	.	.	S	Bend	trans	-111.5	79.8	-176.6	-70.1	0	0	0	0	109.2	D65	D65-C67 PolarHBondContact O-N 2.78Å; D65-C67 PolarHBondContact O-SG 2.86Å; D65-C67 PolarHBondContact OD1-N 2.76Å
68	G	70	Confident	82.5	Confident	1 Å²	1	41.1 Å²	41.1	1%	0.01	24%	0.237	C	C	.	.	S	Bend	trans	100.8	-171.8	173.2	0	0	0	0	0	115.4	T62 R63	T62-G68 CarbonylContact C-O 3.56Å; T62-G68 VanDerWaalsContact CA-O 3.23Å; T62-G68 WeakPolarHBondContact CA-O 3.42Å; T62-G68 WeakPolarHBondContact CB-O 3.33Å; R63-G68 PolarHBondContact N-O 3.4Å
69	L	83.9	Confident	83	Confident	16 Å²	16	43.4 Å²	43.4	8%	0.084	24%	0.244	C	C	.	.	B	Isolated β-bridge	trans	-91.9	140.5	-166.9	-64.1	171.3	0	0	0	112.1	V61 R63 L71 L74 F101 L148 L151	V61-L69 HydrophobicContact CG1-CD2 3.49Å; V61-L69 VanDerWaalsContact CG1-CD2 3.49Å; V61-L69 WeakPolarHBondContact O-CA 3.45Å; R63-L69 WeakPolarHBondContact CG-O 3.49Å; L69-L71 VanDerWaalsContact C-N 3.25Å; L69-L71 HydrophobicContact CB-CD2 4.34Å; L69-L71 HydrophobicContact CB-CG 4.5Å; L69-L71 PolarHBondContact O-N 3.39Å; L69-L74 HydrophobicContact CB-CD1 4.26Å; L69-L74 HydrophobicContact CD2-CD1 4.41Å; L69-F101 HydrophobicContact CD1-CD1 4.17Å; L69-F101 HydrophobicContact CD1-CD2 3.52Å; L69-F101 HydrophobicContact CD1-CE1 4.22Å; L69-F101 HydrophobicContact CD1-CE2 3.56Å; L69-F101 HydrophobicContact CD1-CG 3.84Å; L69-F101 HydrophobicContact CD1-CZ 3.92Å; L69-F101 HydrophobicContact CD2-CB 4.14Å; L69-F101 HydrophobicContact CD2-CD2 4.27Å; L69-F101 HydrophobicContact CD2-CG 4.27Å; L69-F101 HydrophobicContact CG-CB 4.33Å; L69-F101 HydrophobicContact CG-CD2 3.53Å; L69-F101 HydrophobicContact CG-CE2 3.97Å; L69-F101 HydrophobicContact CG-CG 3.98Å; L69-L148 HydrophobicContact CD1-CD1 4.11Å; L69-L148 HydrophobicContact CD2-CD1 3.93Å; L69-L151 HydrophobicContact CD1-CD1 3.13Å
70	A	87.7	Confident	83.6	Confident	12 Å²	12	42.5 Å²	42.5	10%	0.099	24%	0.236	C	C	.	.			trans	-81.1	71.1	172.7	0	0	0	0	0	110.2	V61 R63 G72 R73 L74	V61-A70 PolarHBondContact O-N 2.7Å; R63-A70 HydrophobicContact CG-CB 4.4Å; A70-G72 PolarHBondContact O-N 3.13Å; A70-R73 HydrophobicContact CB-CB 4.05Å; A70-R73 WeakPolarHBondContact O-CB 3.4Å; A70-R73 PolarHBondContact O-N 3.13Å; A70-R73 VanDerWaalsContact O-N 3.09Å; A70-L74 PolarHBondContact O-N 3.36Å
71	L	87.4	Confident	84.1	Confident	94 Å²	94	42.5 Å²	42.5	49%	0.492	24%	0.236	S	C	.	.	H	α-helix	trans	-54.5	-45.4	-171.4	-70.6	174.3	0	0	0	114	L69 R73 L74 A75 L151 M155	L69-L71 VanDerWaalsContact C-N 3.25Å; L69-L71 HydrophobicContact CB-CD2 4.34Å; L69-L71 HydrophobicContact CB-CG 4.5Å; L69-L71 PolarHBondContact O-N 3.39Å; L71-R73 VanDerWaalsContact C-N 3.29Å; L71-R73 PolarHBondContact O-N 3.47Å; L71-L74 PolarHBondContact O-N 3.37Å; L71-A75 WeakPolarHBondContact O-CB 3.36Å; L71-A75 PolarHBondContact O-N 3.48Å; L71-L151 HydrophobicContact CD2-CD1 4.28Å; L71-L151 HydrophobicContact CD2-CD2 4.2Å; L71-M155 HydrophobicContact CD2-CE 4.27Å
72	G	87.4	Confident	84.5	Confident	63 Å²	63	42.5 Å²	42.5	65%	0.649	24%	0.236	S	C	*	.	H	α-helix	trans	-62.2	-36.7	179.6	0	0	0	0	0	113.2	A70 S76	A70-G72 PolarHBondContact O-N 3.13Å; G72-S76 PolarHBondContact O-N 3.15Å; G72-S76 VanDerWaalsContact O-N 3.17Å
73	R	89.1	Confident	85	Confident	39 Å²	39	45.9 Å²	45.9	15%	0.147	25%	0.252	C	S	.	.	H	α-helix	trans	-72.3	-42.9	177.1	-175.2	-164.8	-70.6	164.2	-5.3	111.4	A59 V60 T62 D64 A70 L71 S76 I77 G309 T310	A59-R73 PolarHBondContact O-NH1 2.96Å; V60-R73 WeakPolarHBondContact O-CD 3.35Å; V60-R73 PolarHBondContact O-NH1 3.47Å; T62-R73 PolarHBondContact O-NH1 3Å; T62-R73 VanDerWaalsContact O-NH1 3.13Å; D64-R73 IonicContact OD1-NH2 3.93Å; A70-R73 HydrophobicContact CB-CB 4.05Å; A70-R73 WeakPolarHBondContact O-CB 3.4Å; A70-R73 PolarHBondContact O-N 3.13Å; A70-R73 VanDerWaalsContact O-N 3.09Å; L71-R73 VanDerWaalsContact C-N 3.29Å; L71-R73 PolarHBondContact O-N 3.47Å; R73-S76 PolarHBondContact O-N 3.17Å; R73-I77 HydrophobicContact CG-CD1 4.32Å; R73-I77 WeakPolarHBondContact O-CG1 3.35Å; R73-I77 PolarHBondContact O-N 3.38Å; R73-G309 WeakPolarHBondContact CD-O 3.47Å; R73-G309 VanDerWaalsContact CG-O 3.28Å; R73-G309 WeakPolarHBondContact CG-O 3.19Å; R73-T310 PolarHBondContact NH2-O 2.62Å
74	L	90.6	Very high	85.7	Confident	1 Å²	1	39.7 Å²	39.7	1%	0.005	23%	0.229	C	C	.	.	H	α-helix	trans	-61.4	-43.3	173.8	-73.3	173.8	0	0	0	111.6	L56 V61 L69 A70 L71 S76 I77 V78 M155	L56-L74 HydrophobicContact CD1-CD2 4.37Å; V61-L74 HydrophobicContact CG1-CD1 4.27Å; V61-L74 HydrophobicContact CG1-CD2 4.39Å; V61-L74 HydrophobicContact CG2-CD2 4.26Å; L69-L74 HydrophobicContact CB-CD1 4.26Å; L69-L74 HydrophobicContact CD2-CD1 4.41Å; A70-L74 PolarHBondContact O-N 3.36Å; L71-L74 PolarHBondContact O-N 3.37Å; L74-S76 VanDerWaalsContact C-N 3.34Å; L74-S76 PolarHBondContact O-N 3.26Å; L74-I77 PolarHBondContact O-N 2.78Å; L74-V78 WeakPolarHBondContact O-CB 3.4Å; L74-V78 VanDerWaalsContact O-CG2 3.3Å; L74-V78 WeakPolarHBondContact O-CG2 3.25Å; L74-V78 PolarHBondContact O-N 3.2Å; L74-M155 HydrophobicContact CB-CE 4.2Å; L74-M155 HydrophobicContact CB-SD 4.31Å
75	A	91	Very high	86.8	Confident	38 Å²	38	33 Å²	33	31%	0.314	19%	0.193	S	C	.	.	H	α-helix	trans	-59.4	-44.5	177.5	0	0	0	0	0	111.8	L71 I77 V78 E79 M155	L71-A75 WeakPolarHBondContact O-CB 3.36Å; L71-A75 PolarHBondContact O-N 3.48Å; A75-I77 PolarHBondContact O-N 3.23Å; A75-V78 PolarHBondContact O-N 2.69Å; A75-E79 WeakPolarHBondContact O-CB 3.33Å; A75-E79 PolarHBondContact O-N 3.05Å; A75-M155 HydrophobicContact CB-SD 4.22Å
76	S	91.1	Very high	88.1	Confident	22 Å²	22	33.6 Å²	33.6	15%	0.154	20%	0.196	C	C	.	.	H	α-helix	trans	-63.8	-39	176	178.4	0	0	0	0	112.8	G72 R73 L74 Q80 T315	G72-S76 PolarHBondContact O-N 3.15Å; G72-S76 VanDerWaalsContact O-N 3.17Å; R73-S76 PolarHBondContact O-N 3.17Å; L74-S76 VanDerWaalsContact C-N 3.34Å; L74-S76 PolarHBondContact O-N 3.26Å; S76-Q80 VanDerWaalsContact O-CG 3.31Å; S76-Q80 WeakPolarHBondContact O-CG 3.43Å; S76-Q80 PolarHBondContact O-N 2.86Å; S76-Q80 VanDerWaalsContact O-N 3.15Å; S76-Q80 PolarHBondContact O-NE2 3.2Å; S76-Q80 VanDerWaalsContact O-NE2 3.1Å; S76-Q80 PolarHBondContact OG-NE2 2.81Å; S76-T315 PolarHBondContact OG-O 3.39Å
77	I	93.1	Very high	89.8	Confident	4 Å²	4	34.9 Å²	34.9	2%	0.021	20%	0.202	C	C	.	.	H	α-helix	trans	-66.4	-44.7	175.6	-74.1	167.6	0	0	0	110.9	L56 V60 R73 L74 A75 Q80 V81 L244 I319	L56-I77 HydrophobicContact CD1-CG2 4.1Å; L56-I77 HydrophobicContact CD2-CD1 3.95Å; L56-I77 HydrophobicContact CD2-CG2 3.95Å; V60-I77 HydrophobicContact CG1-CD1 3.62Å; R73-I77 HydrophobicContact CG-CD1 4.32Å; R73-I77 WeakPolarHBondContact O-CG1 3.35Å; R73-I77 PolarHBondContact O-N 3.38Å; L74-I77 PolarHBondContact O-N 2.78Å; A75-I77 PolarHBondContact O-N 3.23Å; I77-Q80 PolarHBondContact O-N 3.18Å; I77-V81 WeakPolarHBondContact O-CG2 3.49Å; I77-V81 PolarHBondContact O-N 2.92Å; I77-L244 HydrophobicContact CD1-CD1 4.08Å; I77-L244 HydrophobicContact CG1-CD1 4.35Å; I77-I319 HydrophobicContact CG2-CD1 3.92Å
78	V	95	Very high	91.4	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-62	-43.9	177.9	168.2	0	0	0	0	110.8	L74 A75 Q80 V81 A82 Y152 M155 F156 Y159	L74-V78 WeakPolarHBondContact O-CB 3.4Å; L74-V78 VanDerWaalsContact O-CG2 3.3Å; L74-V78 WeakPolarHBondContact O-CG2 3.25Å; L74-V78 PolarHBondContact O-N 3.2Å; A75-V78 PolarHBondContact O-N 2.69Å; V78-Q80 PolarHBondContact O-N 3.42Å; V78-V81 PolarHBondContact O-N 2.9Å; V78-A82 VanDerWaalsContact O-CB 3.28Å; V78-A82 WeakPolarHBondContact O-CB 3.16Å; V78-A82 PolarHBondContact O-N 3.5Å; V78-Y152 HydrophobicContact CG2-CD1 4.01Å; V78-Y152 HydrophobicContact CG2-CE1 4.2Å; V78-M155 HydrophobicContact CB-CB 4.33Å; V78-M155 HydrophobicContact CG1-CB 3.83Å; V78-M155 HydrophobicContact CG2-CB 4.27Å; V78-M155 HydrophobicContact CG2-SD 4.31Å; V78-F156 HydrophobicContact CB-CE2 4.3Å; V78-F156 HydrophobicContact CB-CZ 4.33Å; V78-F156 HydrophobicContact CG1-CB 4.46Å; V78-F156 HydrophobicContact CG1-CD1 3.77Å; V78-F156 HydrophobicContact CG1-CD2 3.73Å; V78-F156 HydrophobicContact CG1-CE1 3.86Å; V78-F156 HydrophobicContact CG1-CE2 3.85Å; V78-F156 HydrophobicContact CG1-CG 3.71Å; V78-F156 HydrophobicContact CG1-CZ 3.91Å; V78-F156 HydrophobicContact CG2-CD2 4.16Å; V78-F156 HydrophobicContact CG2-CE2 3.75Å; V78-F156 HydrophobicContact CG2-CZ 4.16Å; V78-Y159 HydrophobicContact CG1-CD2 4.3Å; V78-Y159 HydrophobicContact CG1-CE2 4.32Å
79	E	94.8	Very high	92.6	Very high	82 Å²	82	37.3 Å²	37.3	38%	0.383	22%	0.223	S	C	.	.	H	α-helix	trans	-54.5	-51.5	174.6	-178.6	177.1	-164.9	0	0	111.3	A75 V81 A82 M83 Y159	A75-E79 WeakPolarHBondContact O-CB 3.33Å; A75-E79 PolarHBondContact O-N 3.05Å; E79-V81 PolarHBondContact O-N 3.07Å; E79-A82 PolarHBondContact O-N 3.42Å; E79-M83 HydrophobicContact CG-SD 4.19Å; E79-M83 WeakPolarHBondContact O-CB 3.19Å; E79-M83 VanDerWaalsContact O-CG 3.25Å; E79-M83 WeakPolarHBondContact O-CG 3.41Å; E79-M83 PolarHBondContact O-N 2.98Å; E79-Y159 HydrophobicContact CB-CE1 4.29Å; E79-Y159 HydrophobicContact CB-CE2 4.23Å; E79-Y159 WeakPolarHBondContact CB-OH 3.37Å; E79-Y159 HydrophobicContact CG-CE1 3.9Å; E79-Y159 WeakPolarHBondContact CG-OH 3.46Å
80	Q	94.9	Very high	93.2	Very high	4 Å²	4	39.1 Å²	39.1	2%	0.019	23%	0.231	C	C	.	.	H	α-helix	trans	-63	-42.1	179.9	-70	169.5	60.7	0	0	112.7	S76 I77 V78 M83 L84 G316 Q317 V318 I319 T320	S76-Q80 VanDerWaalsContact O-CG 3.31Å; S76-Q80 WeakPolarHBondContact O-CG 3.43Å; S76-Q80 PolarHBondContact O-N 2.86Å; S76-Q80 VanDerWaalsContact O-N 3.15Å; S76-Q80 PolarHBondContact O-NE2 3.2Å; S76-Q80 VanDerWaalsContact O-NE2 3.1Å; S76-Q80 PolarHBondContact OG-NE2 2.81Å; I77-Q80 PolarHBondContact O-N 3.18Å; V78-Q80 PolarHBondContact O-N 3.42Å; Q80-M83 PolarHBondContact O-N 3.32Å; Q80-L84 WeakPolarHBondContact O-CG 3.48Å; Q80-L84 PolarHBondContact O-N 3.38Å; Q80-L84 VanDerWaalsContact O-N 3.09Å; Q80-G316 PolarHBondContact NE2-O 2.83Å; Q80-Q317 PolarHBondContact OE1-O 3.38Å; Q80-V318 VanDerWaalsContact OE1-N 3.09Å; Q80-I319 HydrophobicContact CB-CB 4.17Å; Q80-I319 HydrophobicContact CB-CD1 4.42Å; Q80-T320 HydrophobicContact CB-CG2 4.2Å; Q80-T320 HydrophobicContact CG-CG2 4.24Å
81	V	96.8	Very high	93.7	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-65.2	-44.5	177.1	172.6	0	0	0	0	110.8	V54 I77 V78 E79 L84 Q85 M91 I93 F156 V195 I319	V54-V81 HydrophobicContact CG2-CG2 4.26Å; I77-V81 WeakPolarHBondContact O-CG2 3.49Å; I77-V81 PolarHBondContact O-N 2.92Å; V78-V81 PolarHBondContact O-N 2.9Å; E79-V81 PolarHBondContact O-N 3.07Å; V81-L84 PolarHBondContact O-N 3.43Å; V81-Q85 WeakPolarHBondContact O-CB 3.48Å; V81-Q85 PolarHBondContact O-N 3.04Å; V81-M91 HydrophobicContact CG1-CB 3.67Å; V81-M91 HydrophobicContact CG1-CE 4.15Å; V81-M91 HydrophobicContact CG1-CG 3.97Å; V81-M91 HydrophobicContact CG2-CE 4.24Å; V81-I93 HydrophobicContact CG1-CD1 4.17Å; V81-I93 HydrophobicContact CG1-CG1 4.45Å; V81-I93 HydrophobicContact CG2-CD1 4.25Å; V81-F156 HydrophobicContact CB-CE1 4.24Å; V81-F156 HydrophobicContact CB-CZ 4.14Å; V81-F156 HydrophobicContact CG1-CE1 3.92Å; V81-F156 HydrophobicContact CG1-CZ 3.84Å; V81-V195 HydrophobicContact CG1-CG1 4.29Å; V81-I319 HydrophobicContact CG2-CD1 3.79Å
82	A	96.5	Very high	94.2	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-64.4	-40.4	177.8	0	0	0	0	0	111.9	V78 E79 L84 Q85 N86 F156 Y159	V78-A82 VanDerWaalsContact O-CB 3.28Å; V78-A82 WeakPolarHBondContact O-CB 3.16Å; V78-A82 PolarHBondContact O-N 3.5Å; E79-A82 PolarHBondContact O-N 3.42Å; A82-L84 PolarHBondContact O-N 3.26Å; A82-Q85 PolarHBondContact O-N 3.28Å; A82-N86 VanDerWaalsContact O-CB 3.32Å; A82-N86 WeakPolarHBondContact O-CB 3.08Å; A82-N86 PolarHBondContact O-N 2.95Å; A82-N86 PolarHBondContact O-ND2 3.47Å; A82-F156 HydrophobicContact CB-CD1 4.13Å; A82-F156 HydrophobicContact CB-CE1 4.13Å; A82-Y159 HydrophobicContact CB-CD2 4.12Å; A82-Y159 HydrophobicContact CB-CG 3.83Å
83	M	95.4	Very high	94.7	Very high	77 Å²	77	31.1 Å²	31.1	38%	0.379	17%	0.172	S	C	.	.	H	α-helix	trans	-58	-47.5	173.4	-75.4	175.6	67.9	0	0	111.8	E79 Q80 N86 Q87	E79-M83 HydrophobicContact CG-SD 4.19Å; E79-M83 WeakPolarHBondContact O-CB 3.19Å; E79-M83 VanDerWaalsContact O-CG 3.25Å; E79-M83 WeakPolarHBondContact O-CG 3.41Å; E79-M83 PolarHBondContact O-N 2.98Å; Q80-M83 PolarHBondContact O-N 3.32Å; M83-N86 PolarHBondContact O-N 3.24Å; M83-Q87 VanDerWaalsContact O-CG 3.3Å; M83-Q87 WeakPolarHBondContact O-CG 3.35Å; M83-Q87 PolarHBondContact O-N 3Å
84	L	95.8	Very high	95	Very high	4 Å²	4	29.2 Å²	29.2	2%	0.021	17%	0.165	C	C	.	.	H	α-helix	trans	-66.5	-39.3	178.2	-70.8	173.6	0	0	0	112.1	Q80 V81 A82 Q87 R89 M91 I319 T320 V323	Q80-L84 WeakPolarHBondContact O-CG 3.48Å; Q80-L84 PolarHBondContact O-N 3.38Å; Q80-L84 VanDerWaalsContact O-N 3.09Å; V81-L84 PolarHBondContact O-N 3.43Å; A82-L84 PolarHBondContact O-N 3.26Å; L84-Q87 WeakPolarHBondContact O-CB 3.38Å; L84-Q87 PolarHBondContact O-N 3.4Å; L84-R89 VanDerWaalsContact O-CB 3.3Å; L84-R89 WeakPolarHBondContact O-CB 3.49Å; L84-R89 WeakPolarHBondContact O-CG 3.46Å; L84-R89 PolarHBondContact O-N 3.28Å; L84-R89 VanDerWaalsContact O-N 3.17Å; L84-M91 HydrophobicContact CB-CE 4.28Å; L84-M91 HydrophobicContact CB-CG 4.29Å; L84-M91 HydrophobicContact CB-SD 3.77Å; L84-M91 HydrophobicContact CD1-CE 3.97Å; L84-M91 HydrophobicContact CD1-SD 4.32Å; L84-I319 HydrophobicContact CD1-CG2 3.63Å; L84-T320 HydrophobicContact CD1-CG2 4.38Å; L84-T320 HydrophobicContact CD2-CG2 4.32Å; L84-T320 HydrophobicContact CG-CG2 4.19Å; L84-V323 HydrophobicContact CD1-CG2 4Å; L84-V323 HydrophobicContact CD2-CG1 4.18Å
85	Q	96.1	Very high	95.1	Very high	2 Å²	2	29.2 Å²	29.2	1%	0.009	17%	0.165	C	C	.	.	H	α-helix	trans	-59.6	-47.3	173.4	-172.3	73.6	24.7	0	0	110.8	V81 A82 Q87 G88 R89 M91 T161 N193 V195	V81-Q85 WeakPolarHBondContact O-CB 3.48Å; V81-Q85 PolarHBondContact O-N 3.04Å; A82-Q85 PolarHBondContact O-N 3.28Å; Q85-Q87 PolarHBondContact O-N 3.05Å; Q85-G88 WeakPolarHBondContact O-CA 3.29Å; Q85-G88 PolarHBondContact O-N 3Å; Q85-R89 WeakPolarHBondContact CA-O 3.38Å; Q85-R89 VanDerWaalsContact CD-O 3.26Å; Q85-R89 PolarHBondContact OE1-O 3.39Å; Q85-R89 VanDerWaalsContact OE1-O 3.05Å; Q85-M91 HydrophobicContact CB-CG 4.03Å; Q85-M91 VanDerWaalsContact OE1-CG 3.29Å; Q85-T161 HydrophobicContact CG-CG2 4.18Å; Q85-N193 PolarHBondContact NE2-OD1 3.08Å; Q85-V195 HydrophobicContact CB-CG2 4.3Å; Q85-V195 HydrophobicContact CG-CG2 3.85Å
86	N	93.9	Very high	94.9	Very high	93 Å²	93	28.2 Å²	28.2	50%	0.497	16%	0.156	S	C	.	.	H	α-helix	trans	-67.3	-20.2	178.5	-71.6	-23.3	0	0	0	113.2	A82 M83 G88 Y159	A82-N86 VanDerWaalsContact O-CB 3.32Å; A82-N86 WeakPolarHBondContact O-CB 3.08Å; A82-N86 PolarHBondContact O-N 2.95Å; A82-N86 PolarHBondContact O-ND2 3.47Å; M83-N86 PolarHBondContact O-N 3.24Å; N86-G88 PolarHBondContact O-N 2.87Å; N86-Y159 PolarHBondContact ND2-O 2.95Å
87	Q	94.3	Very high	94.5	Very high	122 Å²	122	27.5 Å²	27.5	57%	0.57	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.4	2.5	168.7	-70.9	172.9	7.2	0	0	113.3	M83 L84 Q85	M83-Q87 VanDerWaalsContact O-CG 3.3Å; M83-Q87 WeakPolarHBondContact O-CG 3.35Å; M83-Q87 PolarHBondContact O-N 3Å; L84-Q87 WeakPolarHBondContact O-CB 3.38Å; L84-Q87 PolarHBondContact O-N 3.4Å; Q85-Q87 PolarHBondContact O-N 3.05Å
88	G	93.8	Very high	94.2	Very high	65 Å²	65	27.4 Å²	27.4	67%	0.67	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	87.7	21.5	178.3	0	0	0	0	0	114.5	Q85 N86	Q85-G88 WeakPolarHBondContact O-CA 3.29Å; Q85-G88 PolarHBondContact O-N 3Å; N86-G88 PolarHBondContact O-N 2.87Å
89	R	95.9	Very high	93.7	Very high	46 Å²	46	29 Å²	29	17%	0.174	16%	0.161	C	C	.	.			trans	-90.1	152.3	171.4	-55.2	-173.8	-168.7	-104.5	0.3	110.4	R47 A49 K50 L84 Q85 M91	R47-R89 PolarHBondContact O-NH1 2.88Å; R47-R89 PolarHBondContact O-NH2 2.78Å; A49-R89 PolarHBondContact O-NH1 2.74Å; K50-R89 CarbonylContact O-C 3.58Å; K50-R89 WeakPolarHBondContact O-CA 3.26Å; K50-R89 WeakPolarHBondContact O-CB 3.37Å; L84-R89 VanDerWaalsContact O-CB 3.3Å; L84-R89 WeakPolarHBondContact O-CB 3.49Å; L84-R89 WeakPolarHBondContact O-CG 3.46Å; L84-R89 PolarHBondContact O-N 3.28Å; L84-R89 VanDerWaalsContact O-N 3.17Å; Q85-R89 WeakPolarHBondContact CA-O 3.38Å; Q85-R89 VanDerWaalsContact CD-O 3.26Å; Q85-R89 PolarHBondContact OE1-O 3.39Å; Q85-R89 VanDerWaalsContact OE1-O 3.05Å; R89-M91 HydrophobicContact CB-SD 4.06Å
90	E	97.3	Very high	92.9	Very high	54 Å²	54	26.5 Å²	26.5	25%	0.252	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	99.4	177.9	-68.9	175.2	165.8	0	0	109.2	K50 R51 I52 L190	K50-E90 PolarHBondContact O-N 3.07Å; R51-E90 WeakPolarHBondContact CA-O 3.19Å; R51-E90 HydrophobicContact CB-CB 4.28Å; R51-E90 HydrophobicContact CG-CB 4.26Å; R51-E90 IonicContact CZ-OE2 3.98Å; R51-E90 IonicContact NE-OE2 3.23Å; R51-E90 PolarHBondContact NE-OE2 3.38Å; R51-E90 IonicContact NH2-OE1 3.38Å; R51-E90 IonicContact NH2-OE2 2.83Å; R51-E90 PolarHBondContact NH2-OE2 3.11Å; I52-E90 PolarHBondContact N-O 3.31Å; E90-L190 HydrophobicContact CB-CD1 4.41Å; E90-L190 HydrophobicContact CB-CD2 4.09Å
91	M	97.8	Very high	92.4	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	139.7	-175.6	-54.3	-59.6	-62	0	0	112.2	I52 V54 V81 L84 Q85 R89 V195 P196	I52-M91 HydrophobicContact CB-CE 3.89Å; I52-M91 HydrophobicContact CB-SD 3.81Å; I52-M91 HydrophobicContact CD1-CE 4.48Å; I52-M91 HydrophobicContact CD1-SD 4.05Å; I52-M91 HydrophobicContact CG1-SD 4.26Å; I52-M91 HydrophobicContact CG2-CE 3.95Å; V54-M91 HydrophobicContact CG2-CE 3.87Å; V81-M91 HydrophobicContact CG1-CB 3.67Å; V81-M91 HydrophobicContact CG1-CE 4.15Å; V81-M91 HydrophobicContact CG1-CG 3.97Å; V81-M91 HydrophobicContact CG2-CE 4.24Å; L84-M91 HydrophobicContact CB-CE 4.28Å; L84-M91 HydrophobicContact CB-CG 4.29Å; L84-M91 HydrophobicContact CB-SD 3.77Å; L84-M91 HydrophobicContact CD1-CE 3.97Å; L84-M91 HydrophobicContact CD1-SD 4.32Å; Q85-M91 HydrophobicContact CB-CG 4.03Å; Q85-M91 VanDerWaalsContact OE1-CG 3.29Å; R89-M91 HydrophobicContact CB-SD 4.06Å; M91-V195 HydrophobicContact CB-CG1 4.48Å; M91-V195 HydrophobicContact CB-CG2 4.33Å; M91-P196 VanDerWaalsContact O-CD 3.26Å; M91-P196 WeakPolarHBondContact O-CD 3.32Å
92	M	98.3	Very high	91.9	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	139.4	172.6	-55.1	176.5	68.4	0	0	109.9	I52 V53 V54 L186 L190 P196 I198 L232 M236	I52-M92 PolarHBondContact O-N 2.99Å; V53-M92 CarbonylContact C-O 3.54Å; V53-M92 WeakPolarHBondContact CA-O 3.49Å; V53-M92 HydrophobicContact CG2-CB 4.28Å; V53-M92 HydrophobicContact CG2-SD 4.27Å; V54-M92 PolarHBondContact N-O 2.85Å; M92-L186 HydrophobicContact CE-CB 4.42Å; M92-L186 HydrophobicContact CE-CD1 4.01Å; M92-L186 HydrophobicContact CE-CD2 3.94Å; M92-L186 HydrophobicContact CE-CG 4.36Å; M92-L190 HydrophobicContact CG-CD1 4.41Å; M92-L190 HydrophobicContact CG-CD2 4.06Å; M92-L190 HydrophobicContact SD-CD1 4.12Å; M92-P196 HydrophobicContact CG-CG 4.33Å; M92-I198 HydrophobicContact CB-CD1 4.18Å; M92-I198 HydrophobicContact CE-CD1 3.82Å; M92-L232 HydrophobicContact CE-CD1 4.26Å; M92-L232 HydrophobicContact CE-CD2 3.94Å; M92-L232 HydrophobicContact CE-CG 4.17Å; M92-M236 HydrophobicContact CE-CE 4.47Å; M92-M236 HydrophobicContact CE-CG 4.03Å; M92-M236 HydrophobicContact SD-CB 4.25Å; M92-M236 HydrophobicContact SD-CE 4.37Å; M92-M236 HydrophobicContact SD-CG 4.16Å
93	I	97.6	Very high	91.2	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	128.7	177.4	-66.3	178.5	0	0	0	110.1	V54 L56 V81 F156 V195 P196 I197 I198	V54-I93 CarbonylContact O-C 3.54Å; V54-I93 WeakPolarHBondContact O-CA 3.47Å; L56-I93 HydrophobicContact CD1-CG2 3.91Å; L56-I93 HydrophobicContact CG-CG2 4.25Å; V81-I93 HydrophobicContact CG1-CD1 4.17Å; V81-I93 HydrophobicContact CG1-CG1 4.45Å; V81-I93 HydrophobicContact CG2-CD1 4.25Å; I93-F156 HydrophobicContact CD1-CE2 3.87Å; I93-F156 HydrophobicContact CD1-CZ 3.64Å; I93-V195 HydrophobicContact CD1-CG1 4.49Å; I93-V195 HydrophobicContact CG1-CG1 4.42Å; I93-P196 PolarHBondContact N-O 2.96Å; I93-I197 HydrophobicContact CB-CD1 3.83Å; I93-I197 HydrophobicContact CD1-CD1 3.86Å; I93-I197 HydrophobicContact CG1-CD1 4.22Å; I93-I197 HydrophobicContact CG2-CD1 4.42Å; I93-I198 WeakPolarHBondContact O-CD1 3.12Å; I93-I198 PolarHBondContact O-N 2.89Å
94	V	95.6	Very high	90.6	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	103.9	166.2	-177.1	0	0	0	0	108	V53 V54 K55 L56 I198 L228 A229 L232	V53-V94 HydrophobicContact CG1-CG2 3.84Å; V54-V94 PolarHBondContact O-N 3.25Å; K55-V94 CarbonylContact C-O 2.84Å; K55-V94 VanDerWaalsContact CA-O 3.32Å; K55-V94 WeakPolarHBondContact CA-O 3.5Å; K55-V94 HydrophobicContact CB-CB 4.36Å; K55-V94 HydrophobicContact CG-CB 4.43Å; L56-V94 PolarHBondContact N-O 3.34Å; V94-I198 WeakPolarHBondContact CA-O 3.47Å; V94-I198 HydrophobicContact CG2-CB 4.4Å; V94-L228 HydrophobicContact CG1-CD2 3.93Å; V94-L228 HydrophobicContact CG1-CG 4.16Å; V94-A229 HydrophobicContact CB-CB 4.06Å; V94-A229 HydrophobicContact CG1-CB 4.08Å; V94-A229 HydrophobicContact CG2-CB 4.07Å; V94-L232 HydrophobicContact CG2-CD2 3.57Å
95	T	92.1	Very high	89.9	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.198	C	C	.	.			trans	-95.5	167.4	-174.5	-169.2	0	0	0	0	112	L148 Y152 I197 I198 N199 N225	T95-L148 HydrophobicContact CG2-CD2 3.98Å; T95-Y152 HydrophobicContact CG2-CE2 4.06Å; T95-Y152 PolarHBondContact OG1-OH 2.93Å; T95-I197 HydrophobicContact CG2-CG2 4Å; T95-I198 PolarHBondContact N-O 3.26Å; T95-N199 HydrophobicContact CG2-CB 3.96Å; T95-N199 PolarHBondContact O-OD1 2.77Å; T95-N225 PolarHBondContact O-ND2 3.32Å
96	S	87.3	Confident	89.4	Confident	18 Å²	18	39.5 Å²	39.5	13%	0.126	21%	0.209	C	C	.	.			trans	-133.2	-167.3	166.3	-165.6	0	0	0	0	109.5	L56 S58 L148 N225	L56-S96 PolarHBondContact O-N 3.12Å; S58-S96 PolarHBondContact OG-OG 3.26Å; S96-L148 WeakPolarHBondContact O-CD2 3.42Å; S96-N225 WeakPolarHBondContact CA-ND2 3.33Å; S96-N225 VanDerWaalsContact CB-ND2 3.3Å; S96-N225 WeakPolarHBondContact CB-ND2 3.24Å; S96-N225 PolarHBondContact OG-ND2 2.65Å
97	G	82.4	Confident	88.8	Confident	6 Å²	6	40.7 Å²	40.7	6%	0.062	21%	0.206	C	C	.	.			trans	91	-2.5	168.7	0	0	0	0	0	116.2	V99 A100 F101	G97-V99 PolarHBondContact O-N 3.12Å; G97-A100 PolarHBondContact O-N 2.84Å; G97-F101 PolarHBondContact O-N 2.94Å
98	A	87	Confident	88.1	Confident	2 Å²	2	40 Å²	40	2%	0.017	20%	0.203	C	C	.	.	H	α-helix	trans	-56	-45.3	178.1	0	0	0	0	0	112.7	A100 F101 G102 G144 Q145	A98-A100 PolarHBondContact O-N 2.77Å; A98-F101 PolarHBondContact O-N 3.46Å; A98-G102 PolarHBondContact O-N 3.2Å; A98-G144 WeakPolarHBondContact O-CA 3.46Å; A98-Q145 HydrophobicContact CB-CB 4.17Å
99	V	83.5	Confident	87.6	Confident	35 Å²	35	41.9 Å²	41.9	21%	0.212	19%	0.194	C	C	.	.	H	α-helix	trans	-61.4	-44.6	177	177.5	0	0	0	0	111.8	G97 G102 K103 A137 C140 A141	G97-V99 PolarHBondContact O-N 3.12Å; V99-G102 PolarHBondContact O-N 3.18Å; V99-K103 HydrophobicContact CG1-CD 4.45Å; V99-K103 WeakPolarHBondContact O-CG 3.45Å; V99-K103 PolarHBondContact O-N 2.82Å; V99-A137 HydrophobicContact CG1-CB 4.29Å; V99-C140 HydrophobicContact CG1-CB 4.09Å; V99-A141 HydrophobicContact CG2-CB 3.84Å
100	A	79.9	Confident	86.8	Confident	29 Å²	29	42 Å²	42	24%	0.24	20%	0.197	C	C	.	.	H	α-helix	trans	-65.6	-45.7	-178.8	0	0	0	0	0	111.5	T62 G97 A98 K103 Q104	T62-A100 HydrophobicContact CG2-CB 3.68Å; G97-A100 PolarHBondContact O-N 2.84Å; A98-A100 PolarHBondContact O-N 2.77Å; A100-K103 WeakPolarHBondContact O-CB 3.45Å; A100-K103 PolarHBondContact O-N 3.41Å; A100-Q104 PolarHBondContact O-N 3.13Å
101	F	83.8	Confident	85.9	Confident	33 Å²	33	44.1 Å²	44.1	15%	0.145	21%	0.21	C	C	.	.	H	α-helix	trans	-65.1	-41.2	176.9	-176.4	-123.4	0	0	0	112.3	L69 G97 A98 K103 Q104 R105 G144 L151	L69-F101 HydrophobicContact CD1-CD1 4.17Å; L69-F101 HydrophobicContact CD1-CD2 3.52Å; L69-F101 HydrophobicContact CD1-CE1 4.22Å; L69-F101 HydrophobicContact CD1-CE2 3.56Å; L69-F101 HydrophobicContact CD1-CG 3.84Å; L69-F101 HydrophobicContact CD1-CZ 3.92Å; L69-F101 HydrophobicContact CD2-CB 4.14Å; L69-F101 HydrophobicContact CD2-CD2 4.27Å; L69-F101 HydrophobicContact CD2-CG 4.27Å; L69-F101 HydrophobicContact CG-CB 4.33Å; L69-F101 HydrophobicContact CG-CD2 3.53Å; L69-F101 HydrophobicContact CG-CE2 3.97Å; L69-F101 HydrophobicContact CG-CG 3.98Å; G97-F101 PolarHBondContact O-N 2.94Å; A98-F101 PolarHBondContact O-N 3.46Å; F101-K103 PolarHBondContact O-N 3.07Å; F101-Q104 WeakPolarHBondContact O-CB 3.42Å; F101-Q104 PolarHBondContact O-N 2.82Å; F101-R105 WeakPolarHBondContact O-CB 3.22Å; F101-R105 PolarHBondContact O-N 2.97Å; F101-G144 WeakPolarHBondContact CD1-O 3.44Å; F101-L151 HydrophobicContact CZ-CD1 4.24Å
102	G	86.3	Confident	84.9	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-65.4	-35.7	175.7	0	0	0	0	0	113.6	A98 V99 Q104 R105 L106 C140	A98-G102 PolarHBondContact O-N 3.2Å; V99-G102 PolarHBondContact O-N 3.18Å; G102-Q104 VanDerWaalsContact C-N 3.34Å; G102-Q104 PolarHBondContact O-N 3.27Å; G102-R105 PolarHBondContact O-N 3.12Å; G102-L106 VanDerWaalsContact O-CB 3.29Å; G102-L106 WeakPolarHBondContact O-CB 3.4Å; G102-L106 VanDerWaalsContact O-CG 3.29Å; G102-L106 WeakPolarHBondContact O-CG 3.4Å; G102-L106 PolarHBondContact O-N 3.39Å; G102-C140 WeakPolarHBondContact CA-O 3.41Å
103	K	81.9	Confident	83.8	Confident	84 Å²	84	54 Å²	54	37%	0.365	27%	0.269	S	S	.	.	H	α-helix	trans	-58.5	-46	171.8	-80.4	177	-179.6	178.7	0	111.2	V99 A100 F101 R107 C140	V99-K103 HydrophobicContact CG1-CD 4.45Å; V99-K103 WeakPolarHBondContact O-CG 3.45Å; V99-K103 PolarHBondContact O-N 2.82Å; A100-K103 WeakPolarHBondContact O-CB 3.45Å; A100-K103 PolarHBondContact O-N 3.41Å; F101-K103 PolarHBondContact O-N 3.07Å; K103-R107 VanDerWaalsContact O-CB 3.23Å; K103-R107 WeakPolarHBondContact O-CB 3.32Å; K103-R107 WeakPolarHBondContact O-CG 3.26Å; K103-R107 PolarHBondContact O-N 3.11Å; K103-C140 HydrophobicContact CG-CB 4.02Å; K103-C140 WeakPolarHBondContact CG-SG 3.41Å
104	Q	81.4	Confident	82.6	Confident	81 Å²	81	57.8 Å²	57.8	38%	0.379	29%	0.287	S	S	.	.	H	α-helix	trans	-62.8	-49.3	177.1	-174.1	-166.2	14.3	0	0	111.2	A100 F101 G102 R107 H108	A100-Q104 PolarHBondContact O-N 3.13Å; F101-Q104 WeakPolarHBondContact O-CB 3.42Å; F101-Q104 PolarHBondContact O-N 2.82Å; G102-Q104 VanDerWaalsContact C-N 3.34Å; G102-Q104 PolarHBondContact O-N 3.27Å; Q104-R107 PolarHBondContact O-N 3.28Å; Q104-H108 WeakPolarHBondContact O-CB 3.35Å; Q104-H108 PolarHBondContact O-N 3.24Å
105	R	82.9	Confident	81.3	Confident	117 Å²	117	60.5 Å²	60.5	44%	0.442	31%	0.306	S	S	.	.	H	α-helix	trans	-62.5	-47.2	-176.9	-166.9	173.6	118.9	119.7	0.5	112.1	F101 G102 H108 E109	F101-R105 WeakPolarHBondContact O-CB 3.22Å; F101-R105 PolarHBondContact O-N 2.97Å; G102-R105 PolarHBondContact O-N 3.12Å; R105-H108 WeakPolarHBondContact O-CB 3.36Å; R105-H108 PolarHBondContact O-N 3.46Å; R105-E109 WeakPolarHBondContact O-CG 3.47Å; R105-E109 PolarHBondContact O-N 3.47Å
106	L	85.1	Confident	79.7	Confident	45 Å²	45	66 Å²	66	24%	0.236	34%	0.34	C	S	.	.	H	α-helix	trans	-69	-36.4	178.3	-67.7	176	0	0	0	112.3	G102 H108 E109 I110 L135 A143	G102-L106 VanDerWaalsContact O-CB 3.29Å; G102-L106 WeakPolarHBondContact O-CB 3.4Å; G102-L106 VanDerWaalsContact O-CG 3.29Å; G102-L106 WeakPolarHBondContact O-CG 3.4Å; G102-L106 PolarHBondContact O-N 3.39Å; L106-H108 VanDerWaalsContact C-N 3.31Å; L106-H108 PolarHBondContact O-N 3.04Å; L106-E109 PolarHBondContact O-N 2.85Å; L106-I110 WeakPolarHBondContact O-CB 3.45Å; L106-I110 VanDerWaalsContact O-CG1 3.25Å; L106-I110 WeakPolarHBondContact O-CG1 3.17Å; L106-I110 PolarHBondContact O-N 2.86Å; L106-L135 HydrophobicContact CB-CD1 3.87Å; L106-L135 HydrophobicContact CB-CD2 4.12Å; L106-L135 HydrophobicContact CD1-CD2 4.33Å; L106-A143 HydrophobicContact CD1-CB 3.89Å; L106-A143 HydrophobicContact CD2-CB 3.89Å; L106-A143 HydrophobicContact CG-CB 3.82Å
107	R	81.6	Confident	78.1	Confident	118 Å²	118	74.1 Å²	74.1	45%	0.445	37%	0.367	S	S	.	.	H	α-helix	trans	-60.3	-43.1	171.6	-80.5	174.8	177.3	171.4	-2.6	111.5	K103 Q104 I110 L111 V132 L135	K103-R107 VanDerWaalsContact O-CB 3.23Å; K103-R107 WeakPolarHBondContact O-CB 3.32Å; K103-R107 WeakPolarHBondContact O-CG 3.26Å; K103-R107 PolarHBondContact O-N 3.11Å; Q104-R107 PolarHBondContact O-N 3.28Å; R107-I110 PolarHBondContact O-N 2.91Å; R107-L111 VanDerWaalsContact O-CG 3.3Å; R107-L111 WeakPolarHBondContact O-CG 3.38Å; R107-L111 PolarHBondContact O-N 3.4Å; R107-V132 HydrophobicContact CG-CG1 4.23Å; R107-L135 HydrophobicContact CG-CD1 3.81Å
108	H	79.6	Confident	77	Confident	107 Å²	107	79.2 Å²	79.2	50%	0.495	39%	0.39	S	S	.	.	H	α-helix	trans	-61.7	-45.7	177	-173.4	-97	0	0	0	111.6	Q104 R105 L106 I110 L111 L112	Q104-H108 WeakPolarHBondContact O-CB 3.35Å; Q104-H108 PolarHBondContact O-N 3.24Å; R105-H108 WeakPolarHBondContact O-CB 3.36Å; R105-H108 PolarHBondContact O-N 3.46Å; L106-H108 VanDerWaalsContact C-N 3.31Å; L106-H108 PolarHBondContact O-N 3.04Å; H108-I110 PolarHBondContact O-N 3.1Å; H108-L111 PolarHBondContact O-N 3.39Å; H108-L112 WeakPolarHBondContact CE1-CD1 3.32Å; H108-L112 WeakPolarHBondContact O-CG 3.32Å; H108-L112 PolarHBondContact O-N 3.26Å
109	E	82.1	Confident	75.7	Confident	104 Å²	104	81.7 Å²	81.7	49%	0.486	41%	0.41	S	S	.	.	H	α-helix	trans	-63.1	-38.7	175.3	-70.1	-58.2	154.7	0	0	113.1	R105 L106 L111 L112 S113	R105-E109 WeakPolarHBondContact O-CG 3.47Å; R105-E109 PolarHBondContact O-N 3.47Å; L106-E109 PolarHBondContact O-N 2.85Å; E109-L111 VanDerWaalsContact C-N 3.33Å; E109-L111 PolarHBondContact O-N 3.32Å; E109-L112 PolarHBondContact O-N 3.1Å; E109-S113 WeakPolarHBondContact O-CB 3.45Å; E109-S113 PolarHBondContact O-N 3.44Å; E109-S113 PolarHBondContact O-OG 3.28Å
110	I	80	Confident	74.2	Confident	48 Å²	48	86 Å²	86	25%	0.246	43%	0.431	C	S	.	.	H	α-helix	trans	-62.9	-41.8	174.2	-70.9	167	0	0	0	110.6	L106 R107 H108 S113 Q114 L135	L106-I110 WeakPolarHBondContact O-CB 3.45Å; L106-I110 VanDerWaalsContact O-CG1 3.25Å; L106-I110 WeakPolarHBondContact O-CG1 3.17Å; L106-I110 PolarHBondContact O-N 2.86Å; R107-I110 PolarHBondContact O-N 2.91Å; H108-I110 PolarHBondContact O-N 3.1Å; I110-S113 WeakPolarHBondContact CA-OG 3.23Å; I110-S113 PolarHBondContact O-N 3.39Å; I110-S113 PolarHBondContact O-OG 3.22Å; I110-S113 VanDerWaalsContact O-OG 3.11Å; I110-Q114 WeakPolarHBondContact O-CG 3.37Å; I110-Q114 PolarHBondContact O-N 2.75Å; I110-L135 HydrophobicContact CD1-CD2 3.76Å; I110-L135 HydrophobicContact CD1-CG 4.49Å
111	L	77.8	Confident	72.8	Confident	99 Å²	99	90.5 Å²	90.5	52%	0.518	45%	0.447	S	S	.	.	H	α-helix	trans	-65.9	-39.4	177	-71.8	168.4	0	0	0	112.1	R107 H108 E109	R107-L111 VanDerWaalsContact O-CG 3.3Å; R107-L111 WeakPolarHBondContact O-CG 3.38Å; R107-L111 PolarHBondContact O-N 3.4Å; H108-L111 PolarHBondContact O-N 3.39Å; E109-L111 VanDerWaalsContact C-N 3.33Å; E109-L111 PolarHBondContact O-N 3.32Å
112	L	77.9	Confident	71.3	Confident	115 Å²	115	93.2 Å²	93.2	60%	0.602	47%	0.47	S	S	*	.	H	α-helix	trans	-71.8	-29	177.7	-71.2	-179.7	0	0	0	113.5	H108 E109 Q114	H108-L112 WeakPolarHBondContact CE1-CD1 3.32Å; H108-L112 WeakPolarHBondContact O-CG 3.32Å; H108-L112 PolarHBondContact O-N 3.26Å; E109-L112 PolarHBondContact O-N 3.1Å; L112-Q114 VanDerWaalsContact C-N 3.34Å
113	S	74.6	Confident	69.3	Low	92 Å²	92	96.2 Å²	96.2	64%	0.643	50%	0.501	S	S	*	.	H	α-helix	trans	-84.8	-4.6	178.6	54.4	0	0	0	0	113.8	E109 I110	E109-S113 WeakPolarHBondContact O-CB 3.45Å; E109-S113 PolarHBondContact O-N 3.44Å; E109-S113 PolarHBondContact O-OG 3.28Å; I110-S113 WeakPolarHBondContact CA-OG 3.23Å; I110-S113 PolarHBondContact O-N 3.39Å; I110-S113 PolarHBondContact O-OG 3.22Å; I110-S113 VanDerWaalsContact O-OG 3.11Å
114	Q	72.4	Confident	67.4	Low	81 Å²	81	99.9 Å²	99.9	38%	0.379	53%	0.525	S	S	.	.	S	Bend	trans	-72.1	130.5	172.1	-78.4	175.2	2.7	0	0	111	I110 L112	I110-Q114 WeakPolarHBondContact O-CG 3.37Å; I110-Q114 PolarHBondContact O-N 2.75Å; L112-Q114 VanDerWaalsContact C-N 3.34Å
115	S	67.3	Low	65.3	Low	56 Å²	56	100.2 Å²	100.2	39%	0.392	54%	0.536	S	S	.	.			trans	-65.4	149.1	172.6	65.7	0	0	0	0	111	R117 Q118 A119	S115-R117 PolarHBondContact O-N 2.96Å; S115-Q118 PolarHBondContact O-N 3.46Å; S115-Q118 PolarHBondContact OG-N 3.4Å; S115-Q118 PolarHBondContact OG-OE1 3.38Å; S115-Q118 VanDerWaalsContact OG-OE1 3.05Å; S115-A119 PolarHBondContact O-N 2.95Å; S115-A119 VanDerWaalsContact O-N 3.08Å
116	V	60	Low	63.4	Low	117 Å²	117	103.7 Å²	103.7	71%	0.709	56%	0.557	S	S	*	*	H	α-helix	trans	-49.9	-32.7	175.2	177.9	0	0	0	0	111.8	L120	V116-L120 HydrophobicContact CG1-CD1 3.71Å; V116-L120 HydrophobicContact CG1-CG 4.38Å; V116-L120 WeakPolarHBondContact O-CB 3.4Å; V116-L120 WeakPolarHBondContact O-CD1 3.3Å; V116-L120 WeakPolarHBondContact O-CG 3.34Å; V116-L120 PolarHBondContact O-N 3.32Å
117	R	52.2	Low	61.2	Low	187 Å²	187	110.3 Å²	110.3	71%	0.706	59%	0.587	S	S	*	*	H	α-helix	trans	-70.5	-35.8	176.9	-161.6	176.1	-173.7	-178.5	4.4	113.6	S115 H121	S115-R117 PolarHBondContact O-N 2.96Å; R117-H121 WeakPolarHBondContact O-CB 3.32Å; R117-H121 PolarHBondContact O-CD2 3.32Å; R117-H121 PolarHBondContact O-N 3.49Å; R117-H121 VanDerWaalsContact O-N 3.1Å
118	Q	60.2	Low	59.2	Low	113 Å²	113	115 Å²	115	53%	0.528	61%	0.61	S	S	.	*	H	α-helix	trans	-74.8	-37.5	175.1	-78.9	164.4	-38.3	0	0	112.1	S115 S122	S115-Q118 PolarHBondContact O-N 3.46Å; S115-Q118 PolarHBondContact OG-N 3.4Å; S115-Q118 PolarHBondContact OG-OE1 3.38Å; S115-Q118 VanDerWaalsContact OG-OE1 3.05Å; Q118-S122 PolarHBondContact O-N 2.75Å; Q118-S122 PolarHBondContact O-OG 2.85Å
119	A	59.8	Low	57.1	Low	54 Å²	54	118.2 Å²	118.2	45%	0.446	63%	0.625	S	S	.	*	H	α-helix	trans	-64.6	-40.9	173.9	0	0	0	0	0	111.9	S115 S122	S115-A119 PolarHBondContact O-N 2.95Å; S115-A119 VanDerWaalsContact O-N 3.08Å; A119-S122 WeakPolarHBondContact O-CB 3.33Å
120	L	51.1	Low	55.2	Low	126 Å²	126	120.9 Å²	120.9	66%	0.66	64%	0.64	S	S	*	*	H	α-helix	trans	-74.7	-32.9	178.7	-71.8	168.4	0	0	0	113.8	V116 S122 G123	V116-L120 HydrophobicContact CG1-CD1 3.71Å; V116-L120 HydrophobicContact CG1-CG 4.38Å; V116-L120 WeakPolarHBondContact O-CB 3.4Å; V116-L120 WeakPolarHBondContact O-CD1 3.3Å; V116-L120 WeakPolarHBondContact O-CG 3.34Å; V116-L120 PolarHBondContact O-N 3.32Å; L120-S122 PolarHBondContact O-N 2.88Å; L120-G123 PolarHBondContact O-N 2.99Å
121	H	51.2	Low	53.4	Low	124 Å²	124	128.5 Å²	128.5	57%	0.574	67%	0.671	S	S	*	*	H	α-helix	trans	-71.9	-13.1	175.4	-77	-39.1	0	0	0	114	R117 G123	R117-H121 WeakPolarHBondContact O-CB 3.32Å; R117-H121 PolarHBondContact O-CD2 3.32Å; R117-H121 PolarHBondContact O-N 3.49Å; R117-H121 VanDerWaalsContact O-N 3.1Å; H121-G123 PolarHBondContact O-N 3.43Å
122	S	51.4	Low	52.3	Low	90 Å²	90	126.3 Å²	126.3	63%	0.629	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.9	-11.5	171.9	-55.1	0	0	0	0	113	Q118 A119 L120	Q118-S122 PolarHBondContact O-N 2.75Å; Q118-S122 PolarHBondContact O-OG 2.85Å; A119-S122 WeakPolarHBondContact O-CB 3.33Å; L120-S122 PolarHBondContact O-N 2.88Å
123	G	45.7	Very low	51.2	Low	62 Å²	62	124.5 Å²	124.5	64%	0.639	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.1	-13.2	-176.6	0	0	0	0	0	116.6	L120 H121	L120-G123 PolarHBondContact O-N 2.99Å; H121-G123 PolarHBondContact O-N 3.43Å
124	N	40.6	Very low	50.6	Low	162 Å²	162	125.2 Å²	125.2	87%	0.866	67%	0.669	S	S	*	*	S	Bend	trans	-115.9	13.9	-167	-96.4	10.7	0	0	0	116.5
125	S	38.9	Very low	50.7	Low	88 Å²	88	123.4 Å²	123.4	62%	0.615	66%	0.662	S	S	*	*			trans	-121.8	115.3	173.2	34.2	0	0	0	0	110.7	H127	S125-H127 VanDerWaalsContact C-N 3.26Å; S125-H127 PolarHBondContact O-N 3.26Å
126	Q	42.3	Very low	51.4	Low	189 Å²	189	126.5 Å²	126.5	88%	0.883	67%	0.67	S	S	*	*	S	Bend	trans	-65.4	76.8	173.1	-71.7	-175.3	-12.3	0	0	111
127	H	37.8	Very low	52.3	Low	185 Å²	185	123.5 Å²	123.5	86%	0.856	66%	0.657	S	S	*	*			trans	-160.6	101.9	158.2	-84	-63.5	0	0	0	108	S125 E129	S125-H127 VanDerWaalsContact C-N 3.26Å; S125-H127 PolarHBondContact O-N 3.26Å; H127-E129 PolarHBondContact O-N 3.49Å; H127-E129 VanDerWaalsContact O-N 3.14Å
128	K	39.9	Very low	53.9	Low	217 Å²	217	118.5 Å²	118.5	94%	0.943	64%	0.638	S	S	*	*			trans	-79.6	87	179.2	-86.9	-178.4	172.9	177.2	0	110.7
129	E	36.8	Very low	55.1	Low	174 Å²	174	115.4 Å²	115.4	81%	0.813	63%	0.632	S	S	*	*			trans	-141.9	112.8	141.4	-82.5	-165.6	164.1	0	0	107.6	H127 F131	H127-E129 PolarHBondContact O-N 3.49Å; H127-E129 VanDerWaalsContact O-N 3.14Å; E129-F131 PolarHBondContact O-N 2.66Å; E129-F131 VanDerWaalsContact O-N 3.12Å
130	M	41.4	Very low	56.4	Low	160 Å²	160	112.8 Å²	112.8	79%	0.788	61%	0.61	S	S	*	*			trans	-67.8	107.4	-178	-158.7	165.4	85.4	0	0	108.2	V132	M130-V132 HydrophobicContact CE-CG2 3.78Å; M130-V132 HydrophobicContact CG-CG2 4.34Å; M130-V132 PolarHBondContact O-N 2.97Å
131	F	42.7	Very low	58	Low	207 Å²	207	107 Å²	107	91%	0.908	58%	0.581	S	S	*	*			trans	-70.9	75.6	178.3	-122	-92.7	0	0	0	109.9	E129	E129-F131 PolarHBondContact O-N 2.66Å; E129-F131 VanDerWaalsContact O-N 3.12Å
132	V	53.2	Low	59.9	Low	54 Å²	54	103.6 Å²	103.6	33%	0.327	57%	0.574	S	S	.	*			trans	-75.9	124.9	165.4	-178.2	0	0	0	0	106.4	R107 M130 A134	R107-V132 HydrophobicContact CG-CG1 4.23Å; M130-V132 HydrophobicContact CE-CG2 3.78Å; M130-V132 HydrophobicContact CG-CG2 4.34Å; M130-V132 PolarHBondContact O-N 2.97Å; V132-A134 PolarHBondContact O-N 3.29Å
133	P	56.1	Low	61.7	Low	76 Å²	76	100.2 Å²	100.2	49%	0.494	55%	0.551	S	S	.	*			trans	-51.4	133.7	177.3	-23.8	31.5	0	0	0	110.4	L135	P133-L135 PolarHBondContact O-N 3.29Å
134	A	61.9	Low	63.7	Low	107 Å²	107	97.2 Å²	97.2	88%	0.884	52%	0.521	S	S	*	.			trans	-61.1	101.2	172.8	0	0	0	0	0	108.5	V132 E136	V132-A134 PolarHBondContact O-N 3.29Å; A134-E136 PolarHBondContact O-N 3.19Å
135	L	74.9	Confident	66.2	Low	44 Å²	44	90.2 Å²	90.2	23%	0.23	48%	0.483	C	S	.	.			trans	-68.3	126	179	-73.8	171.3	0	0	0	109.8	L106 R107 I110 P133 A137 C140	L106-L135 HydrophobicContact CB-CD1 3.87Å; L106-L135 HydrophobicContact CB-CD2 4.12Å; L106-L135 HydrophobicContact CD1-CD2 4.33Å; R107-L135 HydrophobicContact CG-CD1 3.81Å; I110-L135 HydrophobicContact CD1-CD2 3.76Å; I110-L135 HydrophobicContact CD1-CG 4.49Å; P133-L135 PolarHBondContact O-N 3.29Å; L135-A137 PolarHBondContact O-N 3.42Å; L135-C140 VanDerWaalsContact CB-SG 3.57Å
136	E	81.8	Confident	68.7	Low	120 Å²	120	89.1 Å²	89.1	56%	0.561	48%	0.475	S	S	*	.			trans	-65	131.3	176.3	-170.5	-177.6	170.5	0	0	110.8	A134 R138 A139 C140	A134-E136 PolarHBondContact O-N 3.19Å; E136-R138 VanDerWaalsContact C-N 3.26Å; E136-R138 PolarHBondContact O-N 2.93Å; E136-A139 HydrophobicContact CB-CB 4.47Å; E136-A139 PolarHBondContact O-N 3.12Å; E136-C140 PolarHBondContact O-N 2.97Å; E136-C140 PolarHBondContact O-SG 2.91Å
137	A	78.9	Confident	70.9	Confident	54 Å²	54	80.7 Å²	80.7	45%	0.446	44%	0.439	S	S	.	.	H	α-helix	trans	-59	-34.3	-174.6	0	0	0	0	0	113.4	V99 L135 C140 A141	V99-A137 HydrophobicContact CG1-CB 4.29Å; L135-A137 PolarHBondContact O-N 3.42Å; A137-C140 WeakPolarHBondContact O-CB 3.47Å; A137-C140 PolarHBondContact O-N 2.79Å; A137-A141 WeakPolarHBondContact O-CB 3.19Å; A137-A141 PolarHBondContact O-N 3.04Å
138	R	85.4	Confident	73.5	Confident	83 Å²	83	72 Å²	72	31%	0.313	40%	0.398	S	S	.	.	H	α-helix	trans	-66.7	-44.1	178.2	-62.9	-172.2	175.5	141.1	-4.5	112.5	E136 C140 A141 A142 D202 V205 P207	E136-R138 VanDerWaalsContact C-N 3.26Å; E136-R138 PolarHBondContact O-N 2.93Å; R138-C140 VanDerWaalsContact C-N 3.31Å; R138-C140 PolarHBondContact O-N 3.38Å; R138-A141 WeakPolarHBondContact O-CB 3.45Å; R138-A141 PolarHBondContact O-N 3.42Å; R138-A142 PolarHBondContact O-N 2.91Å; R138-D202 WeakPolarHBondContact CG-O 3.1Å; R138-V205 PolarHBondContact NE-O 3.15Å; R138-V205 VanDerWaalsContact NE-O 3.11Å; R138-V205 PolarHBondContact NH2-O 3.21Å; R138-P207 VanDerWaalsContact NH2-N 3.12Å
139	A	85.4	Confident	76.1	Confident	47 Å²	47	62.6 Å²	62.6	39%	0.388	36%	0.358	S	S	.	.	H	α-helix	trans	-63.4	-41.2	175.4	0	0	0	0	0	110.8	E136 A142 A143	E136-A139 HydrophobicContact CB-CB 4.47Å; E136-A139 PolarHBondContact O-N 3.12Å; A139-A142 PolarHBondContact O-N 3.06Å; A139-A143 WeakPolarHBondContact O-CB 3.31Å; A139-A143 PolarHBondContact O-N 2.9Å
140	C	85.9	Confident	78.8	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-61.6	-44.6	172.2	-65.8	0	0	0	0	112.2	V99 G102 K103 L135 E136 A137 R138 A142 A143 G144	V99-C140 HydrophobicContact CG1-CB 4.09Å; G102-C140 WeakPolarHBondContact CA-O 3.41Å; K103-C140 HydrophobicContact CG-CB 4.02Å; K103-C140 WeakPolarHBondContact CG-SG 3.41Å; L135-C140 VanDerWaalsContact CB-SG 3.57Å; E136-C140 PolarHBondContact O-N 2.97Å; E136-C140 PolarHBondContact O-SG 2.91Å; A137-C140 WeakPolarHBondContact O-CB 3.47Å; A137-C140 PolarHBondContact O-N 2.79Å; R138-C140 VanDerWaalsContact C-N 3.31Å; R138-C140 PolarHBondContact O-N 3.38Å; C140-A142 PolarHBondContact O-N 3.32Å; C140-A143 PolarHBondContact O-N 2.86Å; C140-G144 PolarHBondContact O-N 3.49Å
141	A	86.6	Confident	81.3	Confident	4 Å²	4	51.6 Å²	51.6	3%	0.033	32%	0.316	C	S	.	.	H	α-helix	trans	-57.6	-48.6	176.5	0	0	0	0	0	111.7	V99 A137 R138 A143 G144 Q145 D202	V99-A141 HydrophobicContact CG2-CB 3.84Å; A137-A141 WeakPolarHBondContact O-CB 3.19Å; A137-A141 PolarHBondContact O-N 3.04Å; R138-A141 WeakPolarHBondContact O-CB 3.45Å; R138-A141 PolarHBondContact O-N 3.42Å; A141-A143 PolarHBondContact O-N 3.4Å; A141-G144 PolarHBondContact O-N 3.08Å; A141-Q145 WeakPolarHBondContact O-CB 3.29Å; A141-Q145 PolarHBondContact O-N 2.93Å; A141-D202 HydrophobicContact CB-CB 3.58Å
142	A	89.6	Confident	83.8	Confident	53 Å²	53	41.9 Å²	41.9	44%	0.438	27%	0.273	S	S	.	.	H	α-helix	trans	-60.6	-47.6	178.9	0	0	0	0	0	112.2	R138 A139 C140 A203	R138-A142 PolarHBondContact O-N 2.91Å; A139-A142 PolarHBondContact O-N 3.06Å; C140-A142 PolarHBondContact O-N 3.32Å; A142-A203 HydrophobicContact CB-CB 4.05Å
143	A	88.8	Confident	85.9	Confident	18 Å²	18	44.4 Å²	44.4	15%	0.149	28%	0.281	C	S	.	.	H	α-helix	trans	-67	-37.7	179.9	0	0	0	0	0	112.8	L106 A139 C140 A141 S146	L106-A143 HydrophobicContact CD1-CB 3.89Å; L106-A143 HydrophobicContact CD2-CB 3.89Å; L106-A143 HydrophobicContact CG-CB 3.82Å; A139-A143 WeakPolarHBondContact O-CB 3.31Å; A139-A143 PolarHBondContact O-N 2.9Å; C140-A143 PolarHBondContact O-N 2.86Å; A141-A143 PolarHBondContact O-N 3.4Å; A143-S146 PolarHBondContact O-OG 3.22Å; A143-S146 VanDerWaalsContact O-OG 3.09Å
144	G	89.6	Confident	87.7	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-80	-34	-179.3	0	0	0	0	0	113.7	A98 F101 C140 A141 S146 G147 L148	A98-G144 WeakPolarHBondContact O-CA 3.46Å; F101-G144 WeakPolarHBondContact CD1-O 3.44Å; C140-G144 PolarHBondContact O-N 3.49Å; A141-G144 PolarHBondContact O-N 3.08Å; G144-S146 VanDerWaalsContact C-N 3.34Å; G144-S146 PolarHBondContact O-N 3.26Å; G144-G147 PolarHBondContact O-N 3.18Å; G144-L148 WeakPolarHBondContact O-CB 3.3Å; G144-L148 PolarHBondContact O-N 3.41Å
145	Q	92.1	Very high	89.4	Confident	15 Å²	15	39.6 Å²	39.6	7%	0.07	24%	0.243	C	C	.	.	H	α-helix	trans	-62.1	-41.1	-177.7	-177	59.3	27.6	0	0	112.2	A98 A141 L148 M149 L167 N199	A98-Q145 HydrophobicContact CB-CB 4.17Å; A141-Q145 WeakPolarHBondContact O-CB 3.29Å; A141-Q145 PolarHBondContact O-N 2.93Å; Q145-L148 PolarHBondContact O-N 3.26Å; Q145-M149 PolarHBondContact O-N 3.09Å; Q145-L167 HydrophobicContact CG-CD1 4.36Å; Q145-L167 HydrophobicContact CG-CD2 3.92Å; Q145-N199 PolarHBondContact OE1-ND2 3.2Å
146	S	91.1	Very high	90.4	Very high	64 Å²	64	37.5 Å²	37.5	45%	0.448	23%	0.232	S	C	.	.	H	α-helix	trans	-61.5	-47.6	177	55.4	0	0	0	0	112	A143 G144 M149 A150	A143-S146 PolarHBondContact O-OG 3.22Å; A143-S146 VanDerWaalsContact O-OG 3.09Å; G144-S146 VanDerWaalsContact C-N 3.34Å; G144-S146 PolarHBondContact O-N 3.26Å; S146-M149 PolarHBondContact O-N 3.44Å; S146-A150 PolarHBondContact O-N 3.24Å
147	G	89.8	Confident	91	Very high	12 Å²	12	35.7 Å²	35.7	12%	0.124	23%	0.23	C	C	.	.	H	α-helix	trans	-74.3	-30.2	-179.8	0	0	0	0	0	113.6	G144 M149 A150 L151	G144-G147 PolarHBondContact O-N 3.18Å; G147-M149 VanDerWaalsContact C-N 3.34Å; G147-A150 PolarHBondContact O-N 3.18Å; G147-L151 WeakPolarHBondContact O-CG 3.48Å; G147-L151 PolarHBondContact O-N 3.01Å; G147-L151 VanDerWaalsContact O-N 3.12Å
148	L	91.1	Very high	91.8	Very high	2 Å²	2	40.4 Å²	40.4	1%	0.01	24%	0.242	C	C	.	.	H	α-helix	trans	-64.1	-41.2	172.5	-174.5	64.8	0	0	0	111.1	V61 L69 T95 S96 G144 Q145 L151 Y152	V61-L148 HydrophobicContact CG1-CD1 4.02Å; L69-L148 HydrophobicContact CD1-CD1 4.11Å; L69-L148 HydrophobicContact CD2-CD1 3.93Å; T95-L148 HydrophobicContact CG2-CD2 3.98Å; S96-L148 WeakPolarHBondContact O-CD2 3.42Å; G144-L148 WeakPolarHBondContact O-CB 3.3Å; G144-L148 PolarHBondContact O-N 3.41Å; Q145-L148 PolarHBondContact O-N 3.26Å; L148-L151 PolarHBondContact O-N 3Å; L148-Y152 HydrophobicContact CD1-CD2 4.47Å; L148-Y152 HydrophobicContact CD1-CE2 3.95Å; L148-Y152 HydrophobicContact CD2-CE2 4.17Å; L148-Y152 HydrophobicContact CG-CD2 4.1Å; L148-Y152 HydrophobicContact CG-CE2 3.73Å; L148-Y152 VanDerWaalsContact O-CD2 3.26Å; L148-Y152 WeakPolarHBondContact O-CD2 3.47Å; L148-Y152 PolarHBondContact O-N 3.02Å; L148-Y152 VanDerWaalsContact O-N 3.08Å
149	M	94.8	Very high	92.3	Very high	20 Å²	20	40.1 Å²	40.1	10%	0.099	24%	0.242	C	C	.	.	H	α-helix	trans	-65.9	-44.4	176.1	-173.5	62	-155.5	0	0	112.3	Q145 S146 G147 L151 Y152 E153 T163 Q165 I197	Q145-M149 PolarHBondContact O-N 3.09Å; S146-M149 PolarHBondContact O-N 3.44Å; G147-M149 VanDerWaalsContact C-N 3.34Å; M149-L151 PolarHBondContact O-N 3.19Å; M149-Y152 PolarHBondContact O-N 3.32Å; M149-Y152 VanDerWaalsContact O-N 3.12Å; M149-E153 PolarHBondContact O-N 3.11Å; M149-T163 WeakPolarHBondContact CE-OG1 3.21Å; M149-Q165 HydrophobicContact CE-CB 4.27Å; M149-Q165 HydrophobicContact CG-CB 4.12Å; M149-Q165 HydrophobicContact SD-CB 3.78Å; M149-Q165 HydrophobicContact SD-CG 4.39Å; M149-I197 HydrophobicContact CE-CG1 4.35Å; M149-I197 HydrophobicContact SD-CB 4.1Å; M149-I197 HydrophobicContact SD-CG1 4.22Å; M149-I197 HydrophobicContact SD-CG2 4.41Å
150	A	94.3	Very high	92.7	Very high	53 Å²	53	43.1 Å²	43.1	44%	0.438	26%	0.26	S	S	.	.	H	α-helix	trans	-57.5	-35.9	176.5	0	0	0	0	0	112	S146 G147 A154	S146-A150 PolarHBondContact O-N 3.24Å; G147-A150 PolarHBondContact O-N 3.18Å; A150-A154 VanDerWaalsContact O-CB 3.29Å; A150-A154 WeakPolarHBondContact O-CB 3.32Å; A150-A154 PolarHBondContact O-N 3.43Å
151	L	92.9	Very high	93.1	Very high	51 Å²	51	43.3 Å²	43.3	27%	0.267	26%	0.261	S	S	.	.	H	α-helix	trans	-70.1	-43.6	175.4	-74	169	0	0	0	112.7	L69 L71 F101 G147 L148 M149 A154 M155	L69-L151 HydrophobicContact CD1-CD1 3.13Å; L71-L151 HydrophobicContact CD2-CD1 4.28Å; L71-L151 HydrophobicContact CD2-CD2 4.2Å; F101-L151 HydrophobicContact CZ-CD1 4.24Å; G147-L151 WeakPolarHBondContact O-CG 3.48Å; G147-L151 PolarHBondContact O-N 3.01Å; G147-L151 VanDerWaalsContact O-N 3.12Å; L148-L151 PolarHBondContact O-N 3Å; M149-L151 PolarHBondContact O-N 3.19Å; L151-A154 PolarHBondContact O-N 2.68Å; L151-M155 HydrophobicContact CB-CE 3.83Å; L151-M155 WeakPolarHBondContact O-CB 3.23Å; L151-M155 WeakPolarHBondContact O-CE 3.17Å; L151-M155 VanDerWaalsContact O-CG 3.31Å; L151-M155 WeakPolarHBondContact O-CG 3.33Å; L151-M155 PolarHBondContact O-N 3.3Å
152	Y	95.7	Very high	93.6	Very high	2 Å²	2	46.9 Å²	46.9	1%	0.008	29%	0.285	C	S	.	.	H	α-helix	trans	-58.9	-48.7	174	-81	-60.9	0	0	0	111.2	L56 V78 T95 L148 M149 A154 M155 F156 I197	L56-Y152 VanDerWaalsContact CD1-OH 3.25Å; L56-Y152 WeakPolarHBondContact CD1-OH 3.36Å; V78-Y152 HydrophobicContact CG2-CD1 4.01Å; V78-Y152 HydrophobicContact CG2-CE1 4.2Å; T95-Y152 HydrophobicContact CG2-CE2 4.06Å; T95-Y152 PolarHBondContact OG1-OH 2.93Å; L148-Y152 HydrophobicContact CD1-CD2 4.47Å; L148-Y152 HydrophobicContact CD1-CE2 3.95Å; L148-Y152 HydrophobicContact CD2-CE2 4.17Å; L148-Y152 HydrophobicContact CG-CD2 4.1Å; L148-Y152 HydrophobicContact CG-CE2 3.73Å; L148-Y152 VanDerWaalsContact O-CD2 3.26Å; L148-Y152 WeakPolarHBondContact O-CD2 3.47Å; L148-Y152 PolarHBondContact O-N 3.02Å; L148-Y152 VanDerWaalsContact O-N 3.08Å; M149-Y152 PolarHBondContact O-N 3.32Å; M149-Y152 VanDerWaalsContact O-N 3.12Å; Y152-A154 PolarHBondContact O-N 3.45Å; Y152-M155 PolarHBondContact O-N 2.92Å; Y152-F156 HydrophobicContact CD1-CD2 4.41Å; Y152-F156 HydrophobicContact CD1-CE2 4.04Å; Y152-F156 WeakPolarHBondContact O-CB 3.38Å; Y152-F156 WeakPolarHBondContact O-CD2 3.34Å; Y152-F156 PolarHBondContact O-N 3.35Å; Y152-I197 HydrophobicContact CD1-CD1 4.47Å; Y152-I197 HydrophobicContact CD2-CG2 3.82Å; Y152-I197 HydrophobicContact CE2-CG2 3.99Å; Y152-I197 HydrophobicContact CG-CD1 4.41Å; Y152-I197 HydrophobicContact CG-CG1 4.47Å; Y152-I197 HydrophobicContact CG-CG2 4.41Å
153	E	96.3	Very high	93.9	Very high	107 Å²	107	45.5 Å²	45.5	50%	0.5	27%	0.271	S	S	.	.	H	α-helix	trans	-58.5	-46.7	179.4	-175	174.5	-170.5	0	0	111.8	M149 M155 T157	M149-E153 PolarHBondContact O-N 3.11Å; E153-M155 VanDerWaalsContact C-N 3.34Å; E153-M155 PolarHBondContact O-N 3.42Å; E153-T157 VanDerWaalsContact O-CB 3.3Å; E153-T157 WeakPolarHBondContact O-CB 3.41Å; E153-T157 PolarHBondContact O-N 3.46Å; E153-T157 PolarHBondContact O-OG1 2.95Å
154	A	95.8	Very high	94.4	Very high	54 Å²	54	45.8 Å²	45.8	45%	0.446	27%	0.274	S	S	.	.	H	α-helix	trans	-61.1	-40.4	177.4	0	0	0	0	0	112.7	A150 L151 Y152	A150-A154 VanDerWaalsContact O-CB 3.29Å; A150-A154 WeakPolarHBondContact O-CB 3.32Å; A150-A154 PolarHBondContact O-N 3.43Å; L151-A154 PolarHBondContact O-N 2.68Å; Y152-A154 PolarHBondContact O-N 3.45Å
155	M	95.8	Very high	94.7	Very high	28 Å²	28	49.6 Å²	49.6	14%	0.138	29%	0.291	C	S	.	.	H	α-helix	trans	-72.9	-45.7	179.2	-70.4	-174.9	-115.3	0	0	112.2	L71 L74 A75 V78 L151 Y152 E153 T157 Q158 Y159	L71-M155 HydrophobicContact CD2-CE 4.27Å; L74-M155 HydrophobicContact CB-CE 4.2Å; L74-M155 HydrophobicContact CB-SD 4.31Å; A75-M155 HydrophobicContact CB-SD 4.22Å; V78-M155 HydrophobicContact CB-CB 4.33Å; V78-M155 HydrophobicContact CG1-CB 3.83Å; V78-M155 HydrophobicContact CG2-CB 4.27Å; V78-M155 HydrophobicContact CG2-SD 4.31Å; L151-M155 HydrophobicContact CB-CE 3.83Å; L151-M155 WeakPolarHBondContact O-CB 3.23Å; L151-M155 WeakPolarHBondContact O-CE 3.17Å; L151-M155 VanDerWaalsContact O-CG 3.31Å; L151-M155 WeakPolarHBondContact O-CG 3.33Å; L151-M155 PolarHBondContact O-N 3.3Å; Y152-M155 PolarHBondContact O-N 2.92Å; E153-M155 VanDerWaalsContact C-N 3.34Å; E153-M155 PolarHBondContact O-N 3.42Å; M155-T157 VanDerWaalsContact C-N 3.32Å; M155-T157 PolarHBondContact O-N 3.29Å; M155-Q158 WeakPolarHBondContact O-CB 3.5Å; M155-Q158 PolarHBondContact O-N 3.32Å; M155-Y159 WeakPolarHBondContact O-CD2 3.29Å
156	F	97	Very high	94.9	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-68.4	-30.7	-178.9	-87.9	-75.2	0	0	0	113.1	V78 V81 A82 I93 Y152 Q158 Y159 S160 T161 T163 V195 I197	V78-F156 HydrophobicContact CB-CE2 4.3Å; V78-F156 HydrophobicContact CB-CZ 4.33Å; V78-F156 HydrophobicContact CG1-CB 4.46Å; V78-F156 HydrophobicContact CG1-CD1 3.77Å; V78-F156 HydrophobicContact CG1-CD2 3.73Å; V78-F156 HydrophobicContact CG1-CE1 3.86Å; V78-F156 HydrophobicContact CG1-CE2 3.85Å; V78-F156 HydrophobicContact CG1-CG 3.71Å; V78-F156 HydrophobicContact CG1-CZ 3.91Å; V78-F156 HydrophobicContact CG2-CD2 4.16Å; V78-F156 HydrophobicContact CG2-CE2 3.75Å; V78-F156 HydrophobicContact CG2-CZ 4.16Å; V81-F156 HydrophobicContact CB-CE1 4.24Å; V81-F156 HydrophobicContact CB-CZ 4.14Å; V81-F156 HydrophobicContact CG1-CE1 3.92Å; V81-F156 HydrophobicContact CG1-CZ 3.84Å; A82-F156 HydrophobicContact CB-CD1 4.13Å; A82-F156 HydrophobicContact CB-CE1 4.13Å; I93-F156 HydrophobicContact CD1-CE2 3.87Å; I93-F156 HydrophobicContact CD1-CZ 3.64Å; Y152-F156 HydrophobicContact CD1-CD2 4.41Å; Y152-F156 HydrophobicContact CD1-CE2 4.04Å; Y152-F156 WeakPolarHBondContact O-CB 3.38Å; Y152-F156 WeakPolarHBondContact O-CD2 3.34Å; Y152-F156 PolarHBondContact O-N 3.35Å; F156-Q158 PolarHBondContact O-N 3.29Å; F156-Y159 PolarHBondContact O-N 3.02Å; F156-S160 PolarHBondContact O-N 3.36Å; F156-T161 CarbonylContact C-O 3.58Å; F156-T161 WeakPolarHBondContact CB-O 3.29Å; F156-T161 HydrophobicContact CD1-CG2 3.8Å; F156-T161 HydrophobicContact CE1-CG2 4.33Å; F156-T161 PolarHBondContact O-N 3.2Å; F156-T163 HydrophobicContact CB-CG2 3.6Å; F156-T163 HydrophobicContact CD1-CG2 4.19Å; F156-T163 HydrophobicContact CD2-CG2 3.29Å; F156-T163 HydrophobicContact CE2-CG2 3.92Å; F156-T163 HydrophobicContact CG-CG2 3.43Å; F156-T163 VanDerWaalsContact CG-CG2 3.43Å; F156-V195 HydrophobicContact CE1-CG1 4.47Å; F156-V195 HydrophobicContact CE1-CG2 4.4Å; F156-V195 HydrophobicContact CZ-CG1 4.17Å; F156-I197 HydrophobicContact CE2-CD1 4.04Å
157	T	95.1	Very high	95	Very high	83 Å²	83	49.4 Å²	49.4	51%	0.509	29%	0.286	S	S	.	.	H	α-helix	trans	-62.7	-29.1	176.5	-63.7	0	0	0	0	112.1	E153 M155 Y159 S160	E153-T157 VanDerWaalsContact O-CB 3.3Å; E153-T157 WeakPolarHBondContact O-CB 3.41Å; E153-T157 PolarHBondContact O-N 3.46Å; E153-T157 PolarHBondContact O-OG1 2.95Å; M155-T157 VanDerWaalsContact C-N 3.32Å; M155-T157 PolarHBondContact O-N 3.29Å; T157-Y159 PolarHBondContact O-N 3.48Å; T157-S160 PolarHBondContact O-N 3.49Å; T157-S160 VanDerWaalsContact O-N 3.16Å
158	Q	95.3	Very high	95	Very high	152 Å²	152	48.9 Å²	48.9	71%	0.71	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-22.7	174.1	-57.3	-55.8	-49.3	0	0	112.9	M155 F156	M155-Q158 WeakPolarHBondContact O-CB 3.5Å; M155-Q158 PolarHBondContact O-N 3.32Å; F156-Q158 PolarHBondContact O-N 3.29Å
159	Y	95.4	Very high	94.8	Very high	77 Å²	77	50.1 Å²	50.1	30%	0.302	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.6	15.7	179.8	-59.4	-78.6	0	0	0	112.9	V78 E79 A82 N86 M155 F156 T157 T161	V78-Y159 HydrophobicContact CG1-CD2 4.3Å; V78-Y159 HydrophobicContact CG1-CE2 4.32Å; E79-Y159 HydrophobicContact CB-CE1 4.29Å; E79-Y159 HydrophobicContact CB-CE2 4.23Å; E79-Y159 WeakPolarHBondContact CB-OH 3.37Å; E79-Y159 HydrophobicContact CG-CE1 3.9Å; E79-Y159 WeakPolarHBondContact CG-OH 3.46Å; A82-Y159 HydrophobicContact CB-CD2 4.12Å; A82-Y159 HydrophobicContact CB-CG 3.83Å; N86-Y159 PolarHBondContact ND2-O 2.95Å; M155-Y159 WeakPolarHBondContact O-CD2 3.29Å; F156-Y159 PolarHBondContact O-N 3.02Å; T157-Y159 PolarHBondContact O-N 3.48Å; Y159-T161 PolarHBondContact O-N 3.34Å; Y159-T161 VanDerWaalsContact O-N 3.17Å; Y159-T161 PolarHBondContact O-OG1 2.9Å
160	S	94.3	Very high	93.7	Very high	111 Å²	111	51.4 Å²	51.4	78%	0.776	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.5	30.6	-177.5	-55.7	0	0	0	0	113.5	F156 T157	F156-S160 PolarHBondContact O-N 3.36Å; T157-S160 PolarHBondContact O-N 3.49Å; T157-S160 VanDerWaalsContact O-N 3.16Å
161	T	94.8	Very high	93	Very high	3 Å²	3	54.1 Å²	54.1	2%	0.018	30%	0.302	C	S	.	.			trans	-109.1	127.1	178.2	-59	0	0	0	0	109.4	Q85 F156 Y159 V195	Q85-T161 HydrophobicContact CG-CG2 4.18Å; F156-T161 CarbonylContact C-O 3.58Å; F156-T161 WeakPolarHBondContact CB-O 3.29Å; F156-T161 HydrophobicContact CD1-CG2 3.8Å; F156-T161 HydrophobicContact CE1-CG2 4.33Å; F156-T161 PolarHBondContact O-N 3.2Å; Y159-T161 PolarHBondContact O-N 3.34Å; Y159-T161 VanDerWaalsContact O-N 3.17Å; Y159-T161 PolarHBondContact O-OG1 2.9Å; T161-V195 HydrophobicContact CG2-CB 4.38Å; T161-V195 HydrophobicContact CG2-CG2 3.53Å
162	C	96.2	Very high	92.6	Very high	80 Å²	80	53.4 Å²	53.4	54%	0.541	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	146.6	175.4	-68.7	0	0	0	0	110.5	I194 V195	C162-I194 HydrophobicContact CB-CB 4.5Å; C162-I194 HydrophobicContact CB-CG1 3.94Å; C162-I194 HydrophobicContact CB-CG2 4.35Å; C162-I194 WeakPolarHBondContact O-CA 3.45Å; C162-V195 PolarHBondContact O-N 3.13Å
163	T	97.1	Very high	91.9	Very high	24 Å²	24	53.3 Å²	53.3	15%	0.147	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	151.4	174.4	55.2	0	0	0	0	111.7	M149 F156 V195 I197	M149-T163 WeakPolarHBondContact CE-OG1 3.21Å; F156-T163 HydrophobicContact CB-CG2 3.6Å; F156-T163 HydrophobicContact CD1-CG2 4.19Å; F156-T163 HydrophobicContact CD2-CG2 3.29Å; F156-T163 HydrophobicContact CE2-CG2 3.92Å; F156-T163 HydrophobicContact CG-CG2 3.43Å; F156-T163 VanDerWaalsContact CG-CG2 3.43Å; T163-V195 VanDerWaalsContact CA-O 3.28Å; T163-V195 WeakPolarHBondContact CA-O 3.22Å; T163-V195 HydrophobicContact CG2-CB 4.29Å; T163-I197 HydrophobicContact CG2-CD1 4.23Å; T163-I197 HydrophobicContact CG2-CG1 4.23Å
164	A	97.4	Very high	91.2	Very high	24 Å²	24	52.5 Å²	52.5	20%	0.198	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	143	172.8	0	0	0	0	0	111	L189 I194 V195 I197	A164-L189 HydrophobicContact CB-CD1 3.89Å; A164-L189 HydrophobicContact CB-CD2 3.67Å; A164-L189 HydrophobicContact CB-CG 4.41Å; A164-I194 HydrophobicContact CB-CG2 3.74Å; A164-V195 PolarHBondContact N-O 3.09Å; A164-I197 PolarHBondContact O-N 2.99Å
165	Q	96.9	Very high	90.7	Very high	79 Å²	79	53.1 Å²	53.1	37%	0.369	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	135.3	176.5	-178.5	171.8	87.6	0	0	111	M149 L167	M149-Q165 HydrophobicContact CE-CB 4.27Å; M149-Q165 HydrophobicContact CG-CB 4.12Å; M149-Q165 HydrophobicContact SD-CB 3.78Å; M149-Q165 HydrophobicContact SD-CG 4.39Å; Q165-L167 HydrophobicContact CG-CD2 4.2Å; Q165-L167 HydrophobicContact CG-CG 4.09Å
166	V	95.8	Very high	90.2	Very high	17 Å²	17	56.5 Å²	56.5	10%	0.103	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	121.6	167.5	-174.5	0	0	0	0	109.1	V168 L182 L186 L189 I197 I198 N199	V166-V168 HydrophobicContact CG1-CG1 4.12Å; V166-L182 HydrophobicContact CG1-CD1 3.63Å; V166-L186 HydrophobicContact CB-CD2 4.44Å; V166-L186 HydrophobicContact CG2-CD2 3.92Å; V166-L189 HydrophobicContact CG2-CD1 4.02Å; V166-I197 PolarHBondContact N-O 2.64Å; V166-I198 HydrophobicContact CB-CG1 4.32Å; V166-I198 WeakPolarHBondContact O-CA 3.27Å; V166-N199 PolarHBondContact O-N 3.31Å
167	L	92.9	Very high	89.9	Confident	58 Å²	58	63 Å²	63	30%	0.304	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	130.4	177.7	-63.8	-178.6	0	0	0	109.7	Q145 Q165 N199 N201	Q145-L167 HydrophobicContact CG-CD1 4.36Å; Q145-L167 HydrophobicContact CG-CD2 3.92Å; Q165-L167 HydrophobicContact CG-CD2 4.2Å; Q165-L167 HydrophobicContact CG-CG 4.09Å; L167-N199 WeakPolarHBondContact CA-O 3.46Å; L167-N199 HydrophobicContact CD2-CB 4.2Å; L167-N201 HydrophobicContact CB-CB 4Å
168	V	90.4	Very high	89.7	Confident	2 Å²	2	63.6 Å²	63.6	1%	0.012	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	153.1	-175	-62.1	0	0	0	0	111.9	V166 F173 L182 I198 N199 T200 N201 L228	V166-V168 HydrophobicContact CG1-CG1 4.12Å; V168-F173 HydrophobicContact CB-CE2 3.99Å; V168-F173 HydrophobicContact CB-CZ 4.45Å; V168-F173 HydrophobicContact CG1-CE2 4.49Å; V168-F173 HydrophobicContact CG2-CE2 3.95Å; V168-F173 HydrophobicContact CG2-CZ 4.29Å; V168-L182 HydrophobicContact CG1-CD1 3.84Å; V168-L182 HydrophobicContact CG1-CD2 3.91Å; V168-I198 HydrophobicContact CG1-CG2 4.4Å; V168-I198 HydrophobicContact CG2-CG2 4Å; V168-N199 PolarHBondContact N-O 2.78Å; V168-T200 CarbonylContact O-C 3.37Å; V168-T200 VanDerWaalsContact O-CA 3.31Å; V168-T200 WeakPolarHBondContact O-CA 3.32Å; V168-N201 PolarHBondContact O-N 2.74Å; V168-L228 HydrophobicContact CG2-CD1 3.63Å; V168-L228 HydrophobicContact CG2-CD2 3.86Å; V168-L228 HydrophobicContact CG2-CG 4.42Å
169	T	86.2	Confident	89.3	Confident	28 Å²	28	59.4 Å²	59.4	17%	0.172	31%	0.312	C	S	.	.			trans	-118.2	164.9	171.1	68.2	0	0	0	0	109.3	L171 D172 N201 V204	T169-L171 PolarHBondContact O-N 2.87Å; T169-D172 WeakPolarHBondContact CA-OD2 3.4Å; T169-D172 WeakPolarHBondContact CB-OD2 3.33Å; T169-D172 PolarHBondContact N-OD2 3.33Å; T169-D172 PolarHBondContact O-N 2.75Å; T169-D172 PolarHBondContact OG1-OD2 3.25Å; T169-N201 HydrophobicContact CG2-CB 4.03Å; T169-V204 HydrophobicContact CG2-CG2 4.01Å
170	N	73.3	Confident	89.1	Confident	47 Å²	47	61.6 Å²	61.6	25%	0.251	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-58.6	-33.8	177.4	-172.6	34	0	0	0	112.1	D172 F173 H174 I222	N170-D172 VanDerWaalsContact C-N 3.25Å; N170-D172 PolarHBondContact O-N 2.95Å; N170-F173 PolarHBondContact O-N 3.24Å; N170-H174 PolarHBondContact O-CD2 2.99Å; N170-H174 PolarHBondContact OD1-NE2 3.44Å; N170-I222 HydrophobicContact CB-CB 4.06Å; N170-I222 HydrophobicContact CB-CD1 4.49Å; N170-I222 VanDerWaalsContact OD1-CB 3.3Å; N170-I222 WeakPolarHBondContact OD1-CB 3.1Å; N170-I222 WeakPolarHBondContact OD1-CD1 3.42Å; N170-I222 WeakPolarHBondContact OD1-CG1 3.48Å
171	L	78.7	Confident	89	Confident	110 Å²	110	60.6 Å²	60.6	58%	0.576	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-64.2	-28.7	-178.7	-64.9	173.4	0	0	0	113	T169 F173 H174 D175	T169-L171 PolarHBondContact O-N 2.87Å; L171-F173 PolarHBondContact O-N 3.48Å; L171-H174 PolarHBondContact O-N 3.36Å; L171-H174 VanDerWaalsContact O-N 3.16Å; L171-D175 PolarHBondContact O-N 2.83Å
172	D	84.1	Confident	88.9	Confident	35 Å²	35	61.2 Å²	61.2	19%	0.187	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-68.3	-19.5	-176.9	-58.1	-45.7	0	0	0	112.9	T169 N170 R179	T169-D172 WeakPolarHBondContact CA-OD2 3.4Å; T169-D172 WeakPolarHBondContact CB-OD2 3.33Å; T169-D172 PolarHBondContact N-OD2 3.33Å; T169-D172 PolarHBondContact O-N 2.75Å; T169-D172 PolarHBondContact OG1-OD2 3.25Å; N170-D172 VanDerWaalsContact C-N 3.25Å; N170-D172 PolarHBondContact O-N 2.95Å; D172-R179 WeakPolarHBondContact O-CA 3.49Å; D172-R179 PolarHBondContact O-N 3Å
173	F	81.1	Confident	88.8	Confident	1 Å²	1	58.5 Å²	58.5	0%	0.004	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-97.6	-13.1	176.3	-62	-90.4	0	0	0	113.8	V168 N170 L171 L182 I222 L228 R231	V168-F173 HydrophobicContact CB-CE2 3.99Å; V168-F173 HydrophobicContact CB-CZ 4.45Å; V168-F173 HydrophobicContact CG1-CE2 4.49Å; V168-F173 HydrophobicContact CG2-CE2 3.95Å; V168-F173 HydrophobicContact CG2-CZ 4.29Å; N170-F173 PolarHBondContact O-N 3.24Å; L171-F173 PolarHBondContact O-N 3.48Å; F173-L182 HydrophobicContact CD1-CD2 4.38Å; F173-L182 HydrophobicContact CE1-CD2 3.78Å; F173-L182 HydrophobicContact CE2-CD2 4.4Å; F173-L182 HydrophobicContact CZ-CD2 3.78Å; F173-I222 HydrophobicContact CB-CD1 4.36Å; F173-I222 HydrophobicContact CD2-CD1 3.38Å; F173-I222 HydrophobicContact CE2-CD1 3.82Å; F173-I222 HydrophobicContact CG-CD1 3.99Å; F173-L228 HydrophobicContact CE2-CD1 3.51Å; F173-L228 HydrophobicContact CZ-CD1 3.44Å; F173-L228 VanDerWaalsContact CZ-CD1 3.44Å; F173-R231 VanDerWaalsContact C-NH2 3.28Å; F173-R231 HydrophobicContact CD1-CG 4.16Å; F173-R231 PolarHBondContact O-NH2 3.09Å
174	H	81	Confident	88.7	Confident	90 Å²	90	60.4 Å²	60.4	42%	0.417	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-29.8	179.1	-78.6	-69.2	0	0	0	112.7	N170 L171	N170-H174 PolarHBondContact O-CD2 2.99Å; N170-H174 PolarHBondContact OD1-NE2 3.44Å; L171-H174 PolarHBondContact O-N 3.36Å; L171-H174 VanDerWaalsContact O-N 3.16Å
175	D	85.9	Confident	88.7	Confident	67 Å²	67	62.8 Å²	62.8	36%	0.358	32%	0.321	S	S	.	.	S	Bend	trans	-86.2	123.9	174.3	-176.3	-73.5	0	0	0	110.2	L171 E177 K178 R179	L171-D175 PolarHBondContact O-N 2.83Å; D175-E177 VanDerWaalsContact C-N 3.33Å; D175-E177 PolarHBondContact O-N 2.86Å; D175-E177 WeakPolarHBondContact OD1-CB 3.41Å; D175-E177 PolarHBondContact OD1-N 3.37Å; D175-K178 HydrophobicContact CB-CB 4.06Å; D175-K178 HydrophobicContact CB-CD 3.98Å; D175-K178 HydrophobicContact CB-CG 4.04Å; D175-K178 PolarHBondContact OD1-N 2.97Å; D175-R179 VanDerWaalsContact O-CB 3.25Å; D175-R179 WeakPolarHBondContact O-CB 3.48Å; D175-R179 PolarHBondContact O-N 2.77Å
176	D	84.9	Confident	88.6	Confident	99 Å²	99	59 Å²	59	53%	0.529	30%	0.303	S	S	.	.	H	α-helix	trans	-63.9	-36.5	-174.1	-74.4	-27.1	0	0	0	112.7	R179 Q180	D176-R179 IonicContact OD1-CZ 3.34Å; D176-R179 IonicContact OD1-NH1 3.12Å; D176-R179 IonicContact OD1-NH2 3.68Å; D176-R179 PolarHBondContact OD1-NH2 3.46Å; D176-Q180 WeakPolarHBondContact O-CG 3.32Å; D176-Q180 PolarHBondContact O-N 2.88Å
177	E	91.4	Very high	88.7	Confident	137 Å²	137	62 Å²	62	64%	0.64	32%	0.316	S	S	*	.	H	α-helix	trans	-72.2	-48.4	-179.3	-173.2	-175.6	167	0	0	110.3	D175 R179 Q180 N181	D175-E177 VanDerWaalsContact C-N 3.33Å; D175-E177 PolarHBondContact O-N 2.86Å; D175-E177 WeakPolarHBondContact OD1-CB 3.41Å; D175-E177 PolarHBondContact OD1-N 3.37Å; E177-R179 VanDerWaalsContact C-N 3.28Å; E177-R179 PolarHBondContact O-N 2.71Å; E177-Q180 PolarHBondContact O-N 3.47Å; E177-N181 VanDerWaalsContact O-CG 3.31Å; E177-N181 PolarHBondContact O-N 2.92Å; E177-N181 PolarHBondContact O-ND2 3.47Å
178	K	89.6	Confident	88.9	Confident	94 Å²	94	64.7 Å²	64.7	41%	0.409	33%	0.327	S	S	.	.	H	α-helix	trans	-59.7	-40.4	175.9	-65.7	-176.2	-176.4	-178	0	111.9	D175 N181 L182	D175-K178 HydrophobicContact CB-CB 4.06Å; D175-K178 HydrophobicContact CB-CD 3.98Å; D175-K178 HydrophobicContact CB-CG 4.04Å; D175-K178 PolarHBondContact OD1-N 2.97Å; K178-N181 PolarHBondContact O-N 2.92Å; K178-L182 WeakPolarHBondContact O-CB 3.34Å; K178-L182 PolarHBondContact O-N 3.34Å
179	R	88.7	Confident	89.2	Confident	65 Å²	65	65.5 Å²	65.5	25%	0.245	33%	0.331	C	S	.	.	H	α-helix	trans	-63.6	-42.6	177	-172.3	178.3	66.5	-161.6	-11.2	111.8	D172 D175 D176 E177 L182 N183 E235	D172-R179 WeakPolarHBondContact O-CA 3.49Å; D172-R179 PolarHBondContact O-N 3Å; D175-R179 VanDerWaalsContact O-CB 3.25Å; D175-R179 WeakPolarHBondContact O-CB 3.48Å; D175-R179 PolarHBondContact O-N 2.77Å; D176-R179 IonicContact OD1-CZ 3.34Å; D176-R179 IonicContact OD1-NH1 3.12Å; D176-R179 IonicContact OD1-NH2 3.68Å; D176-R179 PolarHBondContact OD1-NH2 3.46Å; E177-R179 VanDerWaalsContact C-N 3.28Å; E177-R179 PolarHBondContact O-N 2.71Å; R179-L182 PolarHBondContact O-N 2.97Å; R179-N183 WeakPolarHBondContact O-CB 3.34Å; R179-N183 VanDerWaalsContact O-CG 3.27Å; R179-N183 PolarHBondContact O-N 3.13Å; R179-N183 PolarHBondContact O-ND2 2.79Å; R179-E235 WeakPolarHBondContact CD-OE1 3.31Å; R179-E235 HydrophobicContact CG-CG 4.31Å; R179-E235 IonicContact NE-OE1 3.77Å; R179-E235 PolarHBondContact NE-OE1 2.86Å
180	Q	90.1	Very high	89.7	Confident	123 Å²	123	64.6 Å²	64.6	58%	0.575	33%	0.325	S	S	*	.	H	α-helix	trans	-63.7	-41	174.9	-77.1	177.6	8.7	0	0	112.4	D176 E177 N183 S184	D176-Q180 WeakPolarHBondContact O-CG 3.32Å; D176-Q180 PolarHBondContact O-N 2.88Å; E177-Q180 PolarHBondContact O-N 3.47Å; Q180-N183 PolarHBondContact O-N 2.85Å; Q180-S184 WeakPolarHBondContact O-CB 3.38Å; Q180-S184 PolarHBondContact O-N 3.4Å; Q180-S184 PolarHBondContact O-OG 3.48Å
181	N	93.3	Very high	90.7	Very high	89 Å²	89	68.5 Å²	68.5	48%	0.476	34%	0.342	S	S	.	.	H	α-helix	trans	-64.7	-42.6	176.6	-69.4	-26.9	0	0	0	111.5	E177 K178 S184 T185	E177-N181 VanDerWaalsContact O-CG 3.31Å; E177-N181 PolarHBondContact O-N 2.92Å; E177-N181 PolarHBondContact O-ND2 3.47Å; K178-N181 PolarHBondContact O-N 2.92Å; N181-S184 PolarHBondContact O-N 3.39Å; N181-T185 WeakPolarHBondContact O-CB 3.15Å; N181-T185 PolarHBondContact O-N 2.96Å; N181-T185 PolarHBondContact O-OG1 3.34Å
182	L	92.6	Very high	91.5	Very high	17 Å²	17	68.6 Å²	68.6	9%	0.089	34%	0.341	C	S	.	.	H	α-helix	trans	-60.5	-50.6	175.1	176	62	0	0	0	111	V166 V168 F173 K178 R179 S184 T185 L186	V166-L182 HydrophobicContact CG1-CD1 3.63Å; V168-L182 HydrophobicContact CG1-CD1 3.84Å; V168-L182 HydrophobicContact CG1-CD2 3.91Å; F173-L182 HydrophobicContact CD1-CD2 4.38Å; F173-L182 HydrophobicContact CE1-CD2 3.78Å; F173-L182 HydrophobicContact CE2-CD2 4.4Å; F173-L182 HydrophobicContact CZ-CD2 3.78Å; K178-L182 WeakPolarHBondContact O-CB 3.34Å; K178-L182 PolarHBondContact O-N 3.34Å; R179-L182 PolarHBondContact O-N 2.97Å; L182-S184 PolarHBondContact O-N 3.49Å; L182-T185 PolarHBondContact O-N 3.17Å; L182-L186 HydrophobicContact CD1-CD1 3.85Å; L182-L186 HydrophobicContact CD1-CG 4.15Å; L182-L186 HydrophobicContact CG-CD1 3.93Å; L182-L186 VanDerWaalsContact O-CG 3.32Å; L182-L186 WeakPolarHBondContact O-CG 3.45Å; L182-L186 PolarHBondContact O-N 2.92Å
183	N	93.1	Very high	92	Very high	22 Å²	22	70.7 Å²	70.7	12%	0.118	35%	0.352	C	S	.	.	H	α-helix	trans	-60.6	-44.9	179.4	-73.7	-14.2	0	0	0	112.1	R179 Q180 T185 L186 Q187 E235	R179-N183 WeakPolarHBondContact O-CB 3.34Å; R179-N183 VanDerWaalsContact O-CG 3.27Å; R179-N183 PolarHBondContact O-N 3.13Å; R179-N183 PolarHBondContact O-ND2 2.79Å; Q180-N183 PolarHBondContact O-N 2.85Å; N183-T185 VanDerWaalsContact C-N 3.34Å; N183-T185 PolarHBondContact O-N 3.46Å; N183-L186 PolarHBondContact O-N 2.92Å; N183-Q187 WeakPolarHBondContact O-CB 3.3Å; N183-Q187 VanDerWaalsContact O-CG 3.27Å; N183-Q187 WeakPolarHBondContact O-CG 3.4Å; N183-Q187 PolarHBondContact O-N 2.96Å; N183-E235 WeakPolarHBondContact ND2-CG 3.24Å; N183-E235 PolarHBondContact ND2-OE1 3Å; N183-E235 VanDerWaalsContact OD1-CG 3.29Å; N183-E235 WeakPolarHBondContact OD1-CG 3.46Å
184	S	95.1	Very high	92.7	Very high	64 Å²	64	72.1 Å²	72.1	45%	0.448	36%	0.359	S	S	.	.	H	α-helix	trans	-61	-45.3	177.8	-55.4	0	0	0	0	111	Q180 N181 L182 L186 Q187 E188	Q180-S184 WeakPolarHBondContact O-CB 3.38Å; Q180-S184 PolarHBondContact O-N 3.4Å; Q180-S184 PolarHBondContact O-OG 3.48Å; N181-S184 PolarHBondContact O-N 3.39Å; L182-S184 PolarHBondContact O-N 3.49Å; S184-L186 PolarHBondContact O-N 2.86Å; S184-Q187 PolarHBondContact O-N 2.72Å; S184-E188 WeakPolarHBondContact O-CG 3.47Å; S184-E188 PolarHBondContact O-N 2.97Å
185	T	96.7	Very high	93.5	Very high	75 Å²	75	67.9 Å²	67.9	46%	0.46	34%	0.34	S	S	.	.	H	α-helix	trans	-58.9	-49	176.6	-55.4	0	0	0	0	111.6	N181 L182 N183 Q187 E188 L189	N181-T185 WeakPolarHBondContact O-CB 3.15Å; N181-T185 PolarHBondContact O-N 2.96Å; N181-T185 PolarHBondContact O-OG1 3.34Å; L182-T185 PolarHBondContact O-N 3.17Å; N183-T185 VanDerWaalsContact C-N 3.34Å; N183-T185 PolarHBondContact O-N 3.46Å; T185-Q187 VanDerWaalsContact C-N 3.34Å; T185-Q187 PolarHBondContact O-N 3Å; T185-E188 PolarHBondContact O-N 3.42Å; T185-L189 HydrophobicContact CG2-CD1 4.41Å; T185-L189 WeakPolarHBondContact O-CG 3.47Å; T185-L189 PolarHBondContact O-N 3.45Å; T185-L189 VanDerWaalsContact O-N 3.07Å
186	L	96.6	Very high	94.1	Very high	0 Å²	0	64.7 Å²	64.7	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-65.3	-37.8	-179.5	-69.1	169.8	0	0	0	112.1	M92 V166 L182 N183 S184 L189 L190 P196 I198 L232 M236	M92-L186 HydrophobicContact CE-CB 4.42Å; M92-L186 HydrophobicContact CE-CD1 4.01Å; M92-L186 HydrophobicContact CE-CD2 3.94Å; M92-L186 HydrophobicContact CE-CG 4.36Å; V166-L186 HydrophobicContact CB-CD2 4.44Å; V166-L186 HydrophobicContact CG2-CD2 3.92Å; L182-L186 HydrophobicContact CD1-CD1 3.85Å; L182-L186 HydrophobicContact CD1-CG 4.15Å; L182-L186 HydrophobicContact CG-CD1 3.93Å; L182-L186 VanDerWaalsContact O-CG 3.32Å; L182-L186 WeakPolarHBondContact O-CG 3.45Å; L182-L186 PolarHBondContact O-N 2.92Å; N183-L186 PolarHBondContact O-N 2.92Å; S184-L186 PolarHBondContact O-N 2.86Å; L186-L189 PolarHBondContact O-N 2.94Å; L186-L190 WeakPolarHBondContact O-CG 3.32Å; L186-L190 PolarHBondContact O-N 2.85Å; L186-L190 VanDerWaalsContact O-N 3.09Å; L186-P196 HydrophobicContact CD2-CB 3.83Å; L186-P196 HydrophobicContact CD2-CG 4.2Å; L186-I198 HydrophobicContact CD2-CD1 4.49Å; L186-I198 HydrophobicContact CD2-CG1 4.27Å; L186-L232 HydrophobicContact CD1-CD1 3.64Å; L186-M236 HydrophobicContact CB-CE 3.6Å; L186-M236 HydrophobicContact CB-SD 3.8Å; L186-M236 HydrophobicContact CD1-CG 4.21Å; L186-M236 HydrophobicContact CD1-SD 3.84Å
187	Q	96	Very high	94.7	Very high	78 Å²	78	60 Å²	60	36%	0.364	30%	0.297	S	S	.	.	H	α-helix	trans	-63.2	-47.5	175.3	-75.8	176.1	12.2	0	0	111.4	N183 S184 T185 L189 L190 H191 M236	N183-Q187 WeakPolarHBondContact O-CB 3.3Å; N183-Q187 VanDerWaalsContact O-CG 3.27Å; N183-Q187 WeakPolarHBondContact O-CG 3.4Å; N183-Q187 PolarHBondContact O-N 2.96Å; S184-Q187 PolarHBondContact O-N 2.72Å; T185-Q187 VanDerWaalsContact C-N 3.34Å; T185-Q187 PolarHBondContact O-N 3Å; Q187-L189 VanDerWaalsContact C-N 3.32Å; Q187-L189 PolarHBondContact O-N 3.29Å; Q187-L190 PolarHBondContact O-N 3.26Å; Q187-H191 PolarHBondContact O-N 3.36Å; Q187-H191 PolarHBondContact O-ND1 2.97Å; Q187-M236 HydrophobicContact CG-CE 3.93Å
188	E	97.4	Very high	94.9	Very high	115 Å²	115	53.4 Å²	53.4	54%	0.537	27%	0.267	S	S	.	.	H	α-helix	trans	-59.6	-41.7	177.2	-72.5	-57.6	145.3	0	0	112.3	S184 T185 L190 H191 M192	S184-E188 WeakPolarHBondContact O-CG 3.47Å; S184-E188 PolarHBondContact O-N 2.97Å; T185-E188 PolarHBondContact O-N 3.42Å; E188-L190 VanDerWaalsContact C-N 3.34Å; E188-L190 PolarHBondContact O-N 3.09Å; E188-H191 PolarHBondContact O-N 2.76Å; E188-M192 HydrophobicContact CB-CE 4.46Å; E188-M192 WeakPolarHBondContact O-CE 3.47Å; E188-M192 WeakPolarHBondContact O-CG 3.34Å; E188-M192 PolarHBondContact O-N 2.83Å
189	L	97.5	Very high	95	Very high	20 Å²	20	49 Å²	49	11%	0.105	25%	0.248	C	C	.	.	H	α-helix	trans	-58.4	-46	174.4	-68.6	174.2	0	0	0	111.9	A164 V166 T185 L186 Q187 M192 N193 I194 P196	A164-L189 HydrophobicContact CB-CD1 3.89Å; A164-L189 HydrophobicContact CB-CD2 3.67Å; A164-L189 HydrophobicContact CB-CG 4.41Å; V166-L189 HydrophobicContact CG2-CD1 4.02Å; T185-L189 HydrophobicContact CG2-CD1 4.41Å; T185-L189 WeakPolarHBondContact O-CG 3.47Å; T185-L189 PolarHBondContact O-N 3.45Å; T185-L189 VanDerWaalsContact O-N 3.07Å; L186-L189 PolarHBondContact O-N 2.94Å; Q187-L189 VanDerWaalsContact C-N 3.32Å; Q187-L189 PolarHBondContact O-N 3.29Å; L189-M192 HydrophobicContact CD2-CE 4.06Å; L189-M192 CarbonylContact O-C 3.59Å; L189-M192 PolarHBondContact O-N 3.22Å; L189-N193 PolarHBondContact O-N 2.92Å; L189-I194 HydrophobicContact CB-CB 4.39Å; L189-I194 HydrophobicContact CD2-CB 4.42Å; L189-I194 HydrophobicContact CD2-CD1 4.08Å; L189-I194 HydrophobicContact CD2-CG2 4.24Å; L189-I194 WeakPolarHBondContact O-CB 3.34Å; L189-I194 PolarHBondContact O-N 2.91Å; L189-P196 HydrophobicContact CB-CG 4.09Å; L189-P196 HydrophobicContact CD1-CB 4.22Å; L189-P196 HydrophobicContact CD1-CG 4.25Å
190	L	95.6	Very high	95.1	Very high	8 Å²	8	46.8 Å²	46.8	4%	0.042	24%	0.241	C	C	.	.	H	α-helix	trans	-64.8	-40.2	177.7	-68.1	175.1	0	0	0	112.3	E90 M92 L186 Q187 E188 M192 N193 P196 M236	E90-L190 HydrophobicContact CB-CD1 4.41Å; E90-L190 HydrophobicContact CB-CD2 4.09Å; M92-L190 HydrophobicContact CG-CD1 4.41Å; M92-L190 HydrophobicContact CG-CD2 4.06Å; M92-L190 HydrophobicContact SD-CD1 4.12Å; L186-L190 WeakPolarHBondContact O-CG 3.32Å; L186-L190 PolarHBondContact O-N 2.85Å; L186-L190 VanDerWaalsContact O-N 3.09Å; Q187-L190 PolarHBondContact O-N 3.26Å; E188-L190 VanDerWaalsContact C-N 3.34Å; E188-L190 PolarHBondContact O-N 3.09Å; L190-M192 PolarHBondContact O-N 3.14Å; L190-N193 WeakPolarHBondContact O-CA 3.3Å; L190-N193 PolarHBondContact O-N 2.83Å; L190-P196 HydrophobicContact CD2-CG 4.15Å; L190-P196 HydrophobicContact CG-CG 4.45Å; L190-M236 HydrophobicContact CD1-CE 3.95Å
191	H	95	Very high	95	Very high	130 Å²	130	42.9 Å²	42.9	60%	0.602	22%	0.224	S	C	*	.	H	α-helix	trans	-62.5	-31.7	175	-70.2	111.2	0	0	0	112.6	Q187 E188 N193	Q187-H191 PolarHBondContact O-N 3.36Å; Q187-H191 PolarHBondContact O-ND1 2.97Å; E188-H191 PolarHBondContact O-N 2.76Å; H191-N193 PolarHBondContact O-N 3.36Å
192	M	95.6	Very high	94.6	Very high	112 Å²	112	41.2 Å²	41.2	55%	0.552	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.1	6.6	173.2	-68.2	-174.2	-73.6	0	0	113.5	E188 L189 L190 I194	E188-M192 HydrophobicContact CB-CE 4.46Å; E188-M192 WeakPolarHBondContact O-CE 3.47Å; E188-M192 WeakPolarHBondContact O-CG 3.34Å; E188-M192 PolarHBondContact O-N 2.83Å; L189-M192 HydrophobicContact CD2-CE 4.06Å; L189-M192 CarbonylContact O-C 3.59Å; L189-M192 PolarHBondContact O-N 3.22Å; L190-M192 PolarHBondContact O-N 3.14Å; M192-I194 HydrophobicContact CB-CD1 3.88Å; M192-I194 HydrophobicContact CB-CG1 3.91Å; M192-I194 HydrophobicContact CE-CD1 4.11Å; M192-I194 PolarHBondContact O-N 3.08Å; M192-I194 HydrophobicContact SD-CD1 4.41Å
193	N	94.3	Very high	94.3	Very high	79 Å²	79	42 Å²	42	42%	0.422	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.7	33	-176.1	-162.7	44.4	0	0	0	113.1	Q85 L189 L190 H191	Q85-N193 PolarHBondContact NE2-OD1 3.08Å; L189-N193 PolarHBondContact O-N 2.92Å; L190-N193 WeakPolarHBondContact O-CA 3.3Å; L190-N193 PolarHBondContact O-N 2.83Å; H191-N193 PolarHBondContact O-N 3.36Å
194	I	97.1	Very high	93.9	Very high	31 Å²	31	45.4 Å²	45.4	16%	0.159	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	131.6	177.5	-58.8	178.2	0	0	0	108.7	C162 A164 L189 M192 P196	C162-I194 HydrophobicContact CB-CB 4.5Å; C162-I194 HydrophobicContact CB-CG1 3.94Å; C162-I194 HydrophobicContact CB-CG2 4.35Å; C162-I194 WeakPolarHBondContact O-CA 3.45Å; A164-I194 HydrophobicContact CB-CG2 3.74Å; L189-I194 HydrophobicContact CB-CB 4.39Å; L189-I194 HydrophobicContact CD2-CB 4.42Å; L189-I194 HydrophobicContact CD2-CD1 4.08Å; L189-I194 HydrophobicContact CD2-CG2 4.24Å; L189-I194 WeakPolarHBondContact O-CB 3.34Å; L189-I194 PolarHBondContact O-N 2.91Å; M192-I194 HydrophobicContact CB-CD1 3.88Å; M192-I194 HydrophobicContact CB-CG1 3.91Å; M192-I194 HydrophobicContact CE-CD1 4.11Å; M192-I194 PolarHBondContact O-N 3.08Å; M192-I194 HydrophobicContact SD-CD1 4.41Å; I194-P196 WeakPolarHBondContact O-CD 3.46Å
195	V	98.1	Very high	92.8	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	112.2	174.9	177.8	0	0	0	0	109.5	V81 Q85 M91 I93 F156 T161 C162 T163 A164 I197	V81-V195 HydrophobicContact CG1-CG1 4.29Å; Q85-V195 HydrophobicContact CB-CG2 4.3Å; Q85-V195 HydrophobicContact CG-CG2 3.85Å; M91-V195 HydrophobicContact CB-CG1 4.48Å; M91-V195 HydrophobicContact CB-CG2 4.33Å; I93-V195 HydrophobicContact CD1-CG1 4.49Å; I93-V195 HydrophobicContact CG1-CG1 4.42Å; F156-V195 HydrophobicContact CE1-CG1 4.47Å; F156-V195 HydrophobicContact CE1-CG2 4.4Å; F156-V195 HydrophobicContact CZ-CG1 4.17Å; T161-V195 HydrophobicContact CG2-CB 4.38Å; T161-V195 HydrophobicContact CG2-CG2 3.53Å; C162-V195 PolarHBondContact O-N 3.13Å; T163-V195 VanDerWaalsContact CA-O 3.28Å; T163-V195 WeakPolarHBondContact CA-O 3.22Å; T163-V195 HydrophobicContact CG2-CB 4.29Å; A164-V195 PolarHBondContact N-O 3.09Å; V195-I197 HydrophobicContact CG1-CD1 4.17Å
196	P	98	Very high	91.1	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	132.2	177.3	-14	32	0	0	0	110.2	M91 M92 I93 L186 L189 L190 I194 I198	M91-P196 VanDerWaalsContact O-CD 3.26Å; M91-P196 WeakPolarHBondContact O-CD 3.32Å; M92-P196 HydrophobicContact CG-CG 4.33Å; I93-P196 PolarHBondContact N-O 2.96Å; L186-P196 HydrophobicContact CD2-CB 3.83Å; L186-P196 HydrophobicContact CD2-CG 4.2Å; L189-P196 HydrophobicContact CB-CG 4.09Å; L189-P196 HydrophobicContact CD1-CB 4.22Å; L189-P196 HydrophobicContact CD1-CG 4.25Å; L190-P196 HydrophobicContact CD2-CG 4.15Å; L190-P196 HydrophobicContact CG-CG 4.45Å; I194-P196 WeakPolarHBondContact O-CD 3.46Å; P196-I198 HydrophobicContact CB-CD1 3.85Å; P196-I198 HydrophobicContact CB-CG1 4.5Å; P196-I198 WeakPolarHBondContact O-CD1 3.3Å
197	I	97.5	Very high	89.1	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	104	171.9	-48.9	-58.5	0	0	0	107.8	I93 T95 M149 Y152 F156 T163 A164 V166 V195	I93-I197 HydrophobicContact CB-CD1 3.83Å; I93-I197 HydrophobicContact CD1-CD1 3.86Å; I93-I197 HydrophobicContact CG1-CD1 4.22Å; I93-I197 HydrophobicContact CG2-CD1 4.42Å; T95-I197 HydrophobicContact CG2-CG2 4Å; M149-I197 HydrophobicContact CE-CG1 4.35Å; M149-I197 HydrophobicContact SD-CB 4.1Å; M149-I197 HydrophobicContact SD-CG1 4.22Å; M149-I197 HydrophobicContact SD-CG2 4.41Å; Y152-I197 HydrophobicContact CD1-CD1 4.47Å; Y152-I197 HydrophobicContact CD2-CG2 3.82Å; Y152-I197 HydrophobicContact CE2-CG2 3.99Å; Y152-I197 HydrophobicContact CG-CD1 4.41Å; Y152-I197 HydrophobicContact CG-CG1 4.47Å; Y152-I197 HydrophobicContact CG-CG2 4.41Å; F156-I197 HydrophobicContact CE2-CD1 4.04Å; T163-I197 HydrophobicContact CG2-CD1 4.23Å; T163-I197 HydrophobicContact CG2-CG1 4.23Å; A164-I197 PolarHBondContact O-N 2.99Å; V166-I197 PolarHBondContact N-O 2.64Å; V195-I197 HydrophobicContact CG1-CD1 4.17Å
198	I	95.8	Very high	86.9	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	135.4	-176.3	-52.6	91.7	0	0	0	110	M92 I93 V94 T95 V166 V168 L186 P196 L228 L232	M92-I198 HydrophobicContact CB-CD1 4.18Å; M92-I198 HydrophobicContact CE-CD1 3.82Å; I93-I198 WeakPolarHBondContact O-CD1 3.12Å; I93-I198 PolarHBondContact O-N 2.89Å; V94-I198 WeakPolarHBondContact CA-O 3.47Å; V94-I198 HydrophobicContact CG2-CB 4.4Å; T95-I198 PolarHBondContact N-O 3.26Å; V166-I198 HydrophobicContact CB-CG1 4.32Å; V166-I198 WeakPolarHBondContact O-CA 3.27Å; V168-I198 HydrophobicContact CG1-CG2 4.4Å; V168-I198 HydrophobicContact CG2-CG2 4Å; L186-I198 HydrophobicContact CD2-CD1 4.49Å; L186-I198 HydrophobicContact CD2-CG1 4.27Å; P196-I198 HydrophobicContact CB-CD1 3.85Å; P196-I198 HydrophobicContact CB-CG1 4.5Å; P196-I198 WeakPolarHBondContact O-CD1 3.3Å; I198-L228 HydrophobicContact CG2-CD2 4.39Å; I198-L232 HydrophobicContact CB-CD2 4.24Å; I198-L232 HydrophobicContact CD1-CD2 3.78Å; I198-L232 HydrophobicContact CG1-CD2 3.93Å; I198-L232 HydrophobicContact CG2-CD2 4.32Å
199	N	92	Very high	84.4	Confident	2 Å²	2	54 Å²	54	1%	0.011	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	160.7	169	-164.7	17.9	0	0	0	111.3	T95 Q145 V166 L167 V168 N225	T95-N199 HydrophobicContact CG2-CB 3.96Å; T95-N199 PolarHBondContact O-OD1 2.77Å; Q145-N199 PolarHBondContact OE1-ND2 3.2Å; V166-N199 PolarHBondContact O-N 3.31Å; L167-N199 WeakPolarHBondContact CA-O 3.46Å; L167-N199 HydrophobicContact CD2-CB 4.2Å; V168-N199 PolarHBondContact N-O 2.78Å; N199-N225 PolarHBondContact OD1-ND2 2.86Å
200	T	89.1	Confident	81.5	Confident	17 Å²	17	58.8 Å²	58.8	10%	0.104	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	138.7	168.6	51.6	0	0	0	0	110.5	V168 D202 N225 L228	V168-T200 CarbonylContact O-C 3.37Å; V168-T200 VanDerWaalsContact O-CA 3.31Å; V168-T200 WeakPolarHBondContact O-CA 3.32Å; T200-D202 VanDerWaalsContact CB-OD1 3.32Å; T200-D202 WeakPolarHBondContact CB-OD1 3.19Å; T200-D202 PolarHBondContact O-N 3Å; T200-D202 PolarHBondContact OG1-OD1 3.04Å; T200-D202 PolarHBondContact OG1-OD2 3.24Å; T200-N225 VanDerWaalsContact CG2-OD1 3.28Å; T200-N225 WeakPolarHBondContact CG2-OD1 3.22Å; T200-N225 PolarHBondContact OG1-OD1 3.47Å; T200-L228 HydrophobicContact CG2-CD2 3.74Å
201	N	89.3	Confident	78.9	Confident	42 Å²	42	66 Å²	66	23%	0.225	37%	0.374	C	S	.	.			trans	-82.2	65.9	175.1	-163.8	-8.2	0	0	0	111.3	L167 V168 T169 A203 V204 V205	L167-N201 HydrophobicContact CB-CB 4Å; V168-N201 PolarHBondContact O-N 2.74Å; T169-N201 HydrophobicContact CG2-CB 4.03Å; N201-A203 PolarHBondContact O-N 3.39Å; N201-V204 HydrophobicContact CB-CG2 3.99Å; N201-V204 WeakPolarHBondContact ND2-CG2 3.21Å; N201-V204 PolarHBondContact O-N 3.38Å; N201-V205 WeakPolarHBondContact O-CG2 3.38Å; N201-V205 PolarHBondContact O-N 2.96Å
202	D	84.5	Confident	76.2	Confident	53 Å²	53	63 Å²	63	28%	0.283	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-15.4	-175.1	-61.8	-25.4	0	0	0	113.3	R138 A141 T200 V204	R138-D202 WeakPolarHBondContact CG-O 3.1Å; A141-D202 HydrophobicContact CB-CB 3.58Å; T200-D202 VanDerWaalsContact CB-OD1 3.32Å; T200-D202 WeakPolarHBondContact CB-OD1 3.19Å; T200-D202 PolarHBondContact O-N 3Å; T200-D202 PolarHBondContact OG1-OD1 3.04Å; T200-D202 PolarHBondContact OG1-OD2 3.24Å; D202-V204 VanDerWaalsContact C-N 3.26Å; D202-V204 PolarHBondContact O-N 3.41Å
203	A	85.4	Confident	73.4	Confident	33 Å²	33	63.2 Å²	63.2	27%	0.273	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-26.2	175.4	0	0	0	0	0	113.3	A142 N201	A142-A203 HydrophobicContact CB-CB 4.05Å; N201-A203 PolarHBondContact O-N 3.39Å
204	V	86	Confident	70.8	Confident	94 Å²	94	67.3 Å²	67.3	57%	0.57	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.3	2.5	-175.1	-57	0	0	0	0	113.7	T169 N201 D202	T169-V204 HydrophobicContact CG2-CG2 4.01Å; N201-V204 HydrophobicContact CB-CG2 3.99Å; N201-V204 WeakPolarHBondContact ND2-CG2 3.21Å; N201-V204 PolarHBondContact O-N 3.38Å; D202-V204 VanDerWaalsContact C-N 3.26Å; D202-V204 PolarHBondContact O-N 3.41Å
205	V	71.8	Confident	67.9	Low	53 Å²	53	75.5 Å²	75.5	32%	0.321	43%	0.431	S	S	.	.	P	Polyproline II helix	trans	-69.2	129.7	178.4	170.7	0	0	0	0	110.1	R138 N201	R138-V205 PolarHBondContact NE-O 3.15Å; R138-V205 VanDerWaalsContact NE-O 3.11Å; R138-V205 PolarHBondContact NH2-O 3.21Å; N201-V205 WeakPolarHBondContact O-CG2 3.38Å; N201-V205 PolarHBondContact O-N 2.96Å
206	P	61.7	Low	64.9	Low	92 Å²	92	78 Å²	78	60%	0.597	46%	0.456	S	S	*	.	P	Polyproline II helix	trans	-61	155	176.9	22.4	-30.8	0	0	0	111.6
207	P	54.3	Low	62	Low	89 Å²	89	85 Å²	85	58%	0.578	50%	0.498	S	S	*	.	P	Polyproline II helix	trans	-57.8	145.3	179.8	-13.4	27.1	0	0	0	109.5	R138 E209	R138-P207 VanDerWaalsContact NH2-N 3.12Å; P207-E209 PolarHBondContact O-N 3.02Å
208	P	49.7	Very low	59.2	Low	129 Å²	129	91.5 Å²	91.5	84%	0.838	53%	0.533	S	S	*	.			trans	-59.4	111.2	176.5	22.7	-30.7	0	0	0	109.4
209	E	45	Very low	56.7	Low	151 Å²	151	96.1 Å²	96.1	71%	0.706	56%	0.561	S	S	*	*			trans	-70.1	129.7	170.8	-71.2	-171.4	171.1	0	0	108.9	P207 N211	P207-E209 PolarHBondContact O-N 3.02Å; E209-N211 PolarHBondContact O-N 3.33Å
210	P	36.5	Very low	54.5	Low	120 Å²	120	96.9 Å²	96.9	78%	0.779	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.5	117.8	172.2	27.4	-28.8	0	0	0	108.6
211	N	40.1	Very low	52.5	Low	158 Å²	158	98.6 Å²	98.6	85%	0.845	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	69.5	67.1	170.8	-61.5	-19.2	0	0	0	117.9	E209	E209-N211 PolarHBondContact O-N 3.33Å
212	S	38.3	Very low	50.7	Low	68 Å²	68	97.6 Å²	97.6	48%	0.476	57%	0.572	S	S	.	*			trans	-125.4	58.5	154.6	54.4	0	0	0	0	111.1	L214	S212-L214 PolarHBondContact O-N 3.47Å
213	D	37.3	Very low	49.4	Very low	116 Å²	116	101.2 Å²	101.2	62%	0.62	59%	0.585	S	S	*	*			trans	-69.8	84.3	161	-72	-16.6	0	0	0	107.5	Q215 K223	D213-Q215 PolarHBondContact O-N 2.86Å; D213-Q215 VanDerWaalsContact O-N 3.08Å; D213-K223 IonicContact OD1-NZ 2.78Å; D213-K223 PolarHBondContact OD1-NZ 3.34Å
214	L	39.9	Very low	48.7	Very low	166 Å²	166	100.6 Å²	100.6	87%	0.869	58%	0.577	S	S	*	*			trans	-58	114.4	172.9	-85.1	160.7	0	0	0	108.9	S212 G216	S212-L214 PolarHBondContact O-N 3.47Å; L214-G216 PolarHBondContact O-N 2.84Å
215	Q	35.5	Very low	48.4	Very low	203 Å²	203	97 Å²	97	95%	0.949	56%	0.555	S	S	*	*			trans	-59.7	110.4	178.3	-70.6	173.5	-16.8	0	0	110.8	D213	D213-Q215 PolarHBondContact O-N 2.86Å; D213-Q215 VanDerWaalsContact O-N 3.08Å
216	G	35.5	Very low	49.1	Very low	51 Å²	51	95.1 Å²	95.1	53%	0.526	54%	0.543	S	S	.	.			trans	-170.2	126	170.2	0	0	0	0	0	110.2	L214 N218	L214-G216 PolarHBondContact O-N 2.84Å; G216-N218 PolarHBondContact O-N 3.19Å
217	V	37	Very low	50.3	Low	148 Å²	148	91.4 Å²	91.4	90%	0.897	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-4.8	-161.5	175.3	0	0	0	0	115.6
218	N	38.3	Very low	51.9	Low	137 Å²	137	87.2 Å²	87.2	73%	0.733	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-134.1	20.7	-171.8	-77.9	-16.8	0	0	0	116.5	G216	G216-N218 PolarHBondContact O-N 3.19Å
219	V	43.8	Very low	53.9	Low	96 Å²	96	81.1 Å²	81.1	58%	0.582	45%	0.453	S	S	*	.			trans	-118.6	114.5	-174.9	-175.4	0	0	0	0	111.5	S221	V219-S221 PolarHBondContact O-N 2.96Å
220	I	44.6	Very low	56.1	Low	18 Å²	18	74 Å²	74	9%	0.092	42%	0.419	C	S	.	.			trans	-72.7	122.1	165.4	-77.9	-170.9	0	0	0	108.8	W296	I220-W296 HydrophobicContact CD1-CB 3.28Å; I220-W296 HydrophobicContact CD1-CD2 3.63Å; I220-W296 HydrophobicContact CD1-CE3 4.24Å; I220-W296 HydrophobicContact CD1-CG 3.18Å; I220-W296 HydrophobicContact CG1-CB 4.25Å; I220-W296 HydrophobicContact CG1-CD2 4.16Å; I220-W296 HydrophobicContact CG1-CG 3.75Å
221	S	47.6	Very low	58.7	Low	53 Å²	53	69.3 Å²	69.3	37%	0.371	39%	0.386	S	S	.	.			trans	-75.6	120	168.3	-177.5	0	0	0	0	108.9	V219 K223	V219-S221 PolarHBondContact O-N 2.96Å; S221-K223 VanDerWaalsContact C-N 3.31Å; S221-K223 PolarHBondContact O-N 3.42Å; S221-K223 WeakPolarHBondContact OG-CE 3.25Å
222	I	52.6	Low	61.2	Low	21 Å²	21	61.8 Å²	61.8	11%	0.108	35%	0.346	C	S	.	.			trans	-72.4	90.1	175.5	-58.9	167.1	0	0	0	107.9	N170 F173 L228	N170-I222 HydrophobicContact CB-CB 4.06Å; N170-I222 HydrophobicContact CB-CD1 4.49Å; N170-I222 VanDerWaalsContact OD1-CB 3.3Å; N170-I222 WeakPolarHBondContact OD1-CB 3.1Å; N170-I222 WeakPolarHBondContact OD1-CD1 3.42Å; N170-I222 WeakPolarHBondContact OD1-CG1 3.48Å; F173-I222 HydrophobicContact CB-CD1 4.36Å; F173-I222 HydrophobicContact CD2-CD1 3.38Å; F173-I222 HydrophobicContact CE2-CD1 3.82Å; F173-I222 HydrophobicContact CG-CD1 3.99Å; I222-L228 HydrophobicContact CG2-CB 4.14Å
223	K	56.3	Low	63.9	Low	130 Å²	130	58.6 Å²	58.6	57%	0.565	32%	0.323	S	S	*	.			trans	-101.9	-16.9	172.3	-64.7	-176.6	-176.5	174.4	0	112.1	D213 S221	D213-K223 IonicContact OD1-NZ 2.78Å; D213-K223 PolarHBondContact OD1-NZ 3.34Å; S221-K223 VanDerWaalsContact C-N 3.31Å; S221-K223 PolarHBondContact O-N 3.42Å; S221-K223 WeakPolarHBondContact OG-CE 3.25Å
224	D	70.4	Confident	66.5	Low	19 Å²	19	54.5 Å²	54.5	10%	0.102	30%	0.303	C	S	.	.	S	Bend	trans	-147.7	166.5	-177.9	61	11.8	0	0	0	113.2	D226 S227 L228	D224-D226 PolarHBondContact O-N 3.36Å; D224-S227 PolarHBondContact O-N 2.81Å; D224-S227 WeakPolarHBondContact OD1-CB 3.28Å; D224-S227 PolarHBondContact OD1-N 3.25Å; D224-S227 PolarHBondContact OD1-OG 3.33Å; D224-L228 PolarHBondContact O-N 3.25Å
225	N	80.8	Confident	68.9	Low	18 Å²	18	49.2 Å²	49.2	10%	0.096	27%	0.273	C	S	.	.	H	α-helix	trans	-69.2	-17.4	-179.1	-71.1	3.1	0	0	0	113.2	T95 S96 N199 T200 A229	T95-N225 PolarHBondContact O-ND2 3.32Å; S96-N225 WeakPolarHBondContact CA-ND2 3.33Å; S96-N225 VanDerWaalsContact CB-ND2 3.3Å; S96-N225 WeakPolarHBondContact CB-ND2 3.24Å; S96-N225 PolarHBondContact OG-ND2 2.65Å; N199-N225 PolarHBondContact OD1-ND2 2.86Å; T200-N225 VanDerWaalsContact CG2-OD1 3.28Å; T200-N225 WeakPolarHBondContact CG2-OD1 3.22Å; T200-N225 PolarHBondContact OG1-OD1 3.47Å; N225-A229 WeakPolarHBondContact O-CB 3.28Å; N225-A229 PolarHBondContact O-N 2.68Å
226	D	86.2	Confident	71.6	Confident	14 Å²	14	39.6 Å²	39.6	8%	0.075	23%	0.228	C	C	.	.	H	α-helix	trans	-67.2	-48.7	172.7	-69.3	-53.4	0	0	0	110.4	K55 D224 L228 A229 A230 A293	K55-D226 WeakPolarHBondContact CE-OD1 3.48Å; K55-D226 IonicContact NZ-OD1 3.94Å; K55-D226 PolarHBondContact NZ-OD1 3.1Å; K55-D226 IonicContact NZ-OD2 2.88Å; D224-D226 PolarHBondContact O-N 3.36Å; D226-L228 VanDerWaalsContact C-N 3.34Å; D226-L228 PolarHBondContact O-N 3Å; D226-A229 PolarHBondContact O-N 3.02Å; D226-A230 PolarHBondContact O-N 2.6Å; D226-A293 HydrophobicContact CB-CB 4.2Å
227	S	86.3	Confident	74.4	Confident	14 Å²	14	43.2 Å²	43.2	10%	0.098	23%	0.23	C	C	.	.	H	α-helix	trans	-62.6	-39.2	174.9	-59.3	0	0	0	0	112.5	D224 R231	D224-S227 PolarHBondContact O-N 2.81Å; D224-S227 WeakPolarHBondContact OD1-CB 3.28Å; D224-S227 PolarHBondContact OD1-N 3.25Å; D224-S227 PolarHBondContact OD1-OG 3.33Å; S227-R231 WeakPolarHBondContact O-CB 3.38Å; S227-R231 PolarHBondContact O-N 3.34Å; S227-R231 VanDerWaalsContact O-N 3.07Å
228	L	88	Confident	77.1	Confident	1 Å²	1	36.3 Å²	36.3	1%	0.005	19%	0.188	C	C	.	.	H	α-helix	trans	-60.8	-49.4	174.6	173.1	60.6	0	0	0	111.3	V94 V168 F173 I198 T200 I222 D224 D226 A230 R231 L232	V94-L228 HydrophobicContact CG1-CD2 3.93Å; V94-L228 HydrophobicContact CG1-CG 4.16Å; V168-L228 HydrophobicContact CG2-CD1 3.63Å; V168-L228 HydrophobicContact CG2-CD2 3.86Å; V168-L228 HydrophobicContact CG2-CG 4.42Å; F173-L228 HydrophobicContact CE2-CD1 3.51Å; F173-L228 HydrophobicContact CZ-CD1 3.44Å; F173-L228 VanDerWaalsContact CZ-CD1 3.44Å; I198-L228 HydrophobicContact CG2-CD2 4.39Å; T200-L228 HydrophobicContact CG2-CD2 3.74Å; I222-L228 HydrophobicContact CG2-CB 4.14Å; D224-L228 PolarHBondContact O-N 3.25Å; D226-L228 VanDerWaalsContact C-N 3.34Å; D226-L228 PolarHBondContact O-N 3Å; L228-A230 PolarHBondContact O-N 3.44Å; L228-R231 PolarHBondContact O-N 3.27Å; L228-L232 VanDerWaalsContact O-CB 3.3Å; L228-L232 WeakPolarHBondContact O-CB 3.34Å; L228-L232 PolarHBondContact O-N 2.8Å
229	A	92.1	Very high	79.9	Confident	2 Å²	2	32.4 Å²	32.4	2%	0.017	17%	0.167	C	C	.	.	H	α-helix	trans	-63.7	-41.5	-177.6	0	0	0	0	0	112.3	K55 V94 N225 D226 A233 L241	K55-A229 HydrophobicContact CB-CB 3.68Å; K55-A229 HydrophobicContact CG-CB 3.76Å; V94-A229 HydrophobicContact CB-CB 4.06Å; V94-A229 HydrophobicContact CG1-CB 4.08Å; V94-A229 HydrophobicContact CG2-CB 4.07Å; N225-A229 WeakPolarHBondContact O-CB 3.28Å; N225-A229 PolarHBondContact O-N 2.68Å; D226-A229 PolarHBondContact O-N 3.02Å; A229-A233 VanDerWaalsContact O-CB 3.23Å; A229-A233 WeakPolarHBondContact O-CB 3.31Å; A229-A233 PolarHBondContact O-N 2.94Å; A229-L241 HydrophobicContact CB-CD1 3.98Å
230	A	91.9	Very high	82.4	Confident	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-60.1	-48	174.7	0	0	0	0	0	112	D226 L228 A233 V234 L241 A293 W296 A297	D226-A230 PolarHBondContact O-N 2.6Å; L228-A230 PolarHBondContact O-N 3.44Å; A230-A233 PolarHBondContact O-N 3.04Å; A230-V234 WeakPolarHBondContact O-CG2 3.32Å; A230-V234 PolarHBondContact O-N 3.15Å; A230-L241 HydrophobicContact CB-CD2 4.37Å; A230-A293 HydrophobicContact CB-CB 3.98Å; A230-A293 VanDerWaalsContact CB-O 3.31Å; A230-A293 WeakPolarHBondContact CB-O 3.5Å; A230-W296 HydrophobicContact CB-CE3 4.24Å; A230-A297 HydrophobicContact CB-CB 3.96Å
231	R	90.3	Very high	84.9	Confident	23 Å²	23	27.2 Å²	27.2	9%	0.087	14%	0.137	C	C	.	.	H	α-helix	trans	-64.2	-46.7	179.9	-161.4	173.7	-173.4	173.3	-8.6	112	F173 S227 L228 A233 V234 E235 W296	F173-R231 VanDerWaalsContact C-NH2 3.28Å; F173-R231 HydrophobicContact CD1-CG 4.16Å; F173-R231 PolarHBondContact O-NH2 3.09Å; S227-R231 WeakPolarHBondContact O-CB 3.38Å; S227-R231 PolarHBondContact O-N 3.34Å; S227-R231 VanDerWaalsContact O-N 3.07Å; L228-R231 PolarHBondContact O-N 3.27Å; R231-A233 VanDerWaalsContact C-N 3.32Å; R231-A233 PolarHBondContact O-N 2.9Å; R231-V234 PolarHBondContact O-N 3.01Å; R231-E235 VanDerWaalsContact O-CB 3.31Å; R231-E235 WeakPolarHBondContact O-CB 3.18Å; R231-E235 PolarHBondContact O-N 2.85Å; R231-W296 HydrophobicContact CB-CH2 4.43Å; R231-W296 HydrophobicContact CB-CZ3 4.33Å; R231-W296 HydrophobicContact CG-CH2 4.09Å; R231-W296 HydrophobicContact CG-CZ3 4.48Å
232	L	92.1	Very high	87.3	Confident	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-59.4	-43.3	177.2	-175.2	69.3	0	0	0	111.7	M92 V94 L186 I198 L228 V234 E235 M236	M92-L232 HydrophobicContact CE-CD1 4.26Å; M92-L232 HydrophobicContact CE-CD2 3.94Å; M92-L232 HydrophobicContact CE-CG 4.17Å; V94-L232 HydrophobicContact CG2-CD2 3.57Å; L186-L232 HydrophobicContact CD1-CD1 3.64Å; I198-L232 HydrophobicContact CB-CD2 4.24Å; I198-L232 HydrophobicContact CD1-CD2 3.78Å; I198-L232 HydrophobicContact CG1-CD2 3.93Å; I198-L232 HydrophobicContact CG2-CD2 4.32Å; L228-L232 VanDerWaalsContact O-CB 3.3Å; L228-L232 WeakPolarHBondContact O-CB 3.34Å; L228-L232 PolarHBondContact O-N 2.8Å; L232-V234 PolarHBondContact O-N 2.89Å; L232-E235 PolarHBondContact O-N 2.82Å; L232-M236 HydrophobicContact CD1-CG 4.01Å; L232-M236 HydrophobicContact CG-CG 4.35Å; L232-M236 VanDerWaalsContact O-CB 3.26Å; L232-M236 WeakPolarHBondContact O-CB 3.28Å; L232-M236 WeakPolarHBondContact O-CG 3.38Å; L232-M236 PolarHBondContact O-N 3.25Å
233	A	94.4	Very high	89.3	Confident	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-63.2	-43.3	-178.9	0	0	0	0	0	112	V53 A229 A230 R231 K237 A238 L241 T302	V53-A233 HydrophobicContact CB-CB 4.23Å; V53-A233 HydrophobicContact CG2-CB 3.92Å; A229-A233 VanDerWaalsContact O-CB 3.23Å; A229-A233 WeakPolarHBondContact O-CB 3.31Å; A229-A233 PolarHBondContact O-N 2.94Å; A230-A233 PolarHBondContact O-N 3.04Å; R231-A233 VanDerWaalsContact C-N 3.32Å; R231-A233 PolarHBondContact O-N 2.9Å; A233-K237 PolarHBondContact O-N 3.2Å; A233-K237 VanDerWaalsContact O-N 3.12Å; A233-A238 HydrophobicContact CB-CB 4.07Å; A233-A238 WeakPolarHBondContact O-CB 3.46Å; A233-A238 PolarHBondContact O-N 3.4Å; A233-L241 HydrophobicContact CB-CB 4.18Å; A233-L241 HydrophobicContact CB-CD2 4.41Å; A233-T302 HydrophobicContact CB-CG2 4.01Å
234	V	92.4	Very high	91	Very high	31 Å²	31	18.1 Å²	18.1	19%	0.188	9%	0.092	C	C	.	.	H	α-helix	trans	-67.1	-45.5	176	174	0	0	0	0	111.4	A230 R231 L232 M236 K237 W296 A297	A230-V234 WeakPolarHBondContact O-CG2 3.32Å; A230-V234 PolarHBondContact O-N 3.15Å; R231-V234 PolarHBondContact O-N 3.01Å; L232-V234 PolarHBondContact O-N 2.89Å; V234-M236 VanDerWaalsContact C-N 3.33Å; V234-M236 PolarHBondContact O-N 3.36Å; V234-K237 PolarHBondContact O-N 3.47Å; V234-W296 HydrophobicContact CB-CH2 4.07Å; V234-W296 HydrophobicContact CB-CZ3 3.7Å; V234-W296 HydrophobicContact CG1-CH2 4.19Å; V234-W296 HydrophobicContact CG1-CZ3 4.23Å; V234-W296 HydrophobicContact CG2-CE3 4.01Å; V234-W296 HydrophobicContact CG2-CH2 4.22Å; V234-W296 HydrophobicContact CG2-CZ3 3.44Å; V234-W296 VanDerWaalsContact CG2-CZ3 3.44Å; V234-A297 HydrophobicContact CG2-CB 4.28Å
235	E	90.8	Very high	91.9	Very high	54 Å²	54	17.5 Å²	17.5	25%	0.252	9%	0.089	S	C	.	.	H	α-helix	trans	-63.6	-40.9	-177.7	-159.9	68.8	-156.7	0	0	111.9	R179 N183 R231 L232 K237	R179-E235 WeakPolarHBondContact CD-OE1 3.31Å; R179-E235 HydrophobicContact CG-CG 4.31Å; R179-E235 IonicContact NE-OE1 3.77Å; R179-E235 PolarHBondContact NE-OE1 2.86Å; N183-E235 WeakPolarHBondContact ND2-CG 3.24Å; N183-E235 PolarHBondContact ND2-OE1 3Å; N183-E235 VanDerWaalsContact OD1-CG 3.29Å; N183-E235 WeakPolarHBondContact OD1-CG 3.46Å; R231-E235 VanDerWaalsContact O-CB 3.31Å; R231-E235 WeakPolarHBondContact O-CB 3.18Å; R231-E235 PolarHBondContact O-N 2.85Å; L232-E235 PolarHBondContact O-N 2.82Å; E235-K237 PolarHBondContact O-N 3.31Å
236	M	93	Very high	92	Very high	1 Å²	1	19.5 Å²	19.5	1%	0.005	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	4.2	175.3	-65.8	-61.7	-61.2	0	0	113.1	R51 M92 L186 Q187 L190 L232 V234 A238	R51-M236 WeakPolarHBondContact CD-O 3.42Å; R51-M236 PolarHBondContact NH1-O 3.07Å; M92-M236 HydrophobicContact CE-CE 4.47Å; M92-M236 HydrophobicContact CE-CG 4.03Å; M92-M236 HydrophobicContact SD-CB 4.25Å; M92-M236 HydrophobicContact SD-CE 4.37Å; M92-M236 HydrophobicContact SD-CG 4.16Å; L186-M236 HydrophobicContact CB-CE 3.6Å; L186-M236 HydrophobicContact CB-SD 3.8Å; L186-M236 HydrophobicContact CD1-CG 4.21Å; L186-M236 HydrophobicContact CD1-SD 3.84Å; Q187-M236 HydrophobicContact CG-CE 3.93Å; L190-M236 HydrophobicContact CD1-CE 3.95Å; L232-M236 HydrophobicContact CD1-CG 4.01Å; L232-M236 HydrophobicContact CG-CG 4.35Å; L232-M236 VanDerWaalsContact O-CB 3.26Å; L232-M236 WeakPolarHBondContact O-CB 3.28Å; L232-M236 WeakPolarHBondContact O-CG 3.38Å; L232-M236 PolarHBondContact O-N 3.25Å; V234-M236 VanDerWaalsContact C-N 3.33Å; V234-M236 PolarHBondContact O-N 3.36Å; M236-A238 PolarHBondContact O-N 3.47Å
237	K	93.1	Very high	92	Very high	128 Å²	128	20.6 Å²	20.6	56%	0.557	11%	0.107	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.5	43.4	-178.9	-54.1	-177.2	-178.6	-173.1	0	112.4	A233 V234 E235	A233-K237 PolarHBondContact O-N 3.2Å; A233-K237 VanDerWaalsContact O-N 3.12Å; V234-K237 PolarHBondContact O-N 3.47Å; E235-K237 PolarHBondContact O-N 3.31Å
238	A	94.9	Very high	91.8	Very high	3 Å²	3	23.7 Å²	23.7	3%	0.025	12%	0.12	C	C	.	.			trans	-66.9	140.5	176.1	0	0	0	0	0	110.4	R51 V53 A233 M236 T302	R51-A238 HydrophobicContact CG-CB 4.11Å; V53-A238 HydrophobicContact CG2-CB 3.78Å; A233-A238 HydrophobicContact CB-CB 4.07Å; A233-A238 WeakPolarHBondContact O-CB 3.46Å; A233-A238 PolarHBondContact O-N 3.4Å; M236-A238 PolarHBondContact O-N 3.47Å; A238-T302 HydrophobicContact CB-CG2 4.46Å; A238-T302 WeakPolarHBondContact O-CB 3.36Å; A238-T302 WeakPolarHBondContact O-CG2 3.38Å; A238-T302 PolarHBondContact O-OG1 2.93Å
239	D	95.8	Very high	91.8	Very high	55 Å²	55	23.8 Å²	23.8	29%	0.294	12%	0.121	S	C	.	.	S	Bend	trans	-74.4	-32.6	177.1	-59.9	-57.8	0	0	0	111.2	F40 A49 K50 R51 S303	F40-D239 HydrophobicContact CE2-CB 3.93Å; F40-D239 HydrophobicContact CZ-CB 4.24Å; A49-D239 HydrophobicContact CB-CB 3.92Å; K50-D239 WeakPolarHBondContact CA-OD2 3.49Å; K50-D239 WeakPolarHBondContact CB-OD2 3.38Å; K50-D239 PolarHBondContact N-OD2 3.31Å; R51-D239 PolarHBondContact N-OD2 3.07Å; R51-D239 PolarHBondContact O-N 3.16Å; D239-S303 VanDerWaalsContact O-CB 3.23Å; D239-S303 WeakPolarHBondContact O-CB 3.08Å; D239-S303 PolarHBondContact O-N 3.4Å; D239-S303 PolarHBondContact O-OG 2.9Å
240	L	96.9	Very high	91.5	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	131.7	-174.2	178.7	59.9	0	0	0	112.2	L46 A49 R51 I52 V53 I242 S303 V305 I322 V323	L46-L240 HydrophobicContact CD2-CD1 3.78Å; L46-L240 HydrophobicContact CD2-CD2 4.23Å; L46-L240 HydrophobicContact CD2-CG 4.5Å; A49-L240 HydrophobicContact CB-CB 3.9Å; A49-L240 HydrophobicContact CB-CD2 4.33Å; R51-L240 PolarHBondContact O-N 3.34Å; I52-L240 WeakPolarHBondContact CA-O 3.34Å; I52-L240 HydrophobicContact CG1-CB 4.4Å; I52-L240 HydrophobicContact CG2-CB 4.41Å; I52-L240 HydrophobicContact CG2-CD2 4.36Å; I52-L240 HydrophobicContact CG2-CG 4.37Å; V53-L240 PolarHBondContact N-O 2.89Å; L240-I242 HydrophobicContact CD1-CG1 4.35Å; L240-I242 HydrophobicContact CD2-CD1 3.91Å; L240-I242 HydrophobicContact CD2-CG1 3.87Å; L240-I242 HydrophobicContact CG-CD1 4.42Å; L240-I242 HydrophobicContact CG-CG1 3.86Å; L240-S303 CarbonylContact C-O 3.5Å; L240-S303 WeakPolarHBondContact CA-O 3.32Å; L240-S303 WeakPolarHBondContact CD1-O 3.05Å; L240-V305 HydrophobicContact CD1-CG2 4.13Å; L240-I322 HydrophobicContact CD2-CG2 4.42Å; L240-V323 HydrophobicContact CD2-CG2 4.17Å
241	L	97.4	Very high	90.9	Very high	5 Å²	5	25.8 Å²	25.8	3%	0.026	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	119.4	165.5	170.9	62	0	0	0	109.4	V53 K55 A229 A230 A233 A297 T302 S303 V304 V305	V53-L241 HydrophobicContact CB-CD1 3.93Å; V53-L241 HydrophobicContact CG1-CD1 3.75Å; V53-L241 CarbonylContact O-C 3.58Å; V53-L241 WeakPolarHBondContact O-CA 3.43Å; K55-L241 HydrophobicContact CB-CD1 4.41Å; A229-L241 HydrophobicContact CB-CD1 3.98Å; A230-L241 HydrophobicContact CB-CD2 4.37Å; A233-L241 HydrophobicContact CB-CB 4.18Å; A233-L241 HydrophobicContact CB-CD2 4.41Å; L241-A297 HydrophobicContact CD2-CB 4.12Å; L241-T302 HydrophobicContact CB-CG2 3.92Å; L241-S303 PolarHBondContact N-O 2.93Å; L241-V304 HydrophobicContact CB-CG1 4.41Å; L241-V304 HydrophobicContact CB-CG2 4.32Å; L241-V304 HydrophobicContact CD2-CG1 4.23Å; L241-V304 HydrophobicContact CD2-CG2 4.41Å; L241-V304 HydrophobicContact CG-CG1 4.26Å; L241-V304 WeakPolarHBondContact O-CA 3.41Å; L241-V305 PolarHBondContact O-N 3.4Å
242	I	96.9	Very high	90.2	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	109.6	173.5	-56.8	175.5	0	0	0	108.2	I52 V53 V54 K55 L240 L244 I319 I322 V323	I52-I242 HydrophobicContact CG2-CD1 4.05Å; I52-I242 HydrophobicContact CG2-CG1 4.34Å; V53-I242 PolarHBondContact O-N 2.72Å; V54-I242 WeakPolarHBondContact CA-O 3.24Å; K55-I242 PolarHBondContact N-O 2.7Å; L240-I242 HydrophobicContact CD1-CG1 4.35Å; L240-I242 HydrophobicContact CD2-CD1 3.91Å; L240-I242 HydrophobicContact CD2-CG1 3.87Å; L240-I242 HydrophobicContact CG-CD1 4.42Å; L240-I242 HydrophobicContact CG-CG1 3.86Å; I242-L244 HydrophobicContact CG2-CD2 3.79Å; I242-L244 HydrophobicContact CG2-CG 4.09Å; I242-I319 HydrophobicContact CD1-CG2 3.85Å; I242-I322 HydrophobicContact CD1-CB 4.33Å; I242-I322 HydrophobicContact CD1-CG2 3.93Å; I242-I322 HydrophobicContact CG1-CG2 4.1Å; I242-I322 HydrophobicContact CG2-CD1 3.78Å; I242-V323 HydrophobicContact CD1-CG2 4.19Å
243	A	94.8	Very high	89.2	Confident	13 Å²	13	30.1 Å²	30.1	11%	0.107	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	97.7	178.2	0	0	0	0	0	110.6	V305 I306 A307	A243-V305 PolarHBondContact N-O 3.09Å; A243-I306 HydrophobicContact CB-CG1 4.29Å; A243-A307 PolarHBondContact O-N 3.5Å; A243-A307 VanDerWaalsContact O-N 3.12Å
244	L	92.4	Very high	88.1	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	128.2	176.5	-59.9	-177	0	0	0	111	V54 K55 L56 G57 V60 I77 I242 A307 V318 I319	V54-L244 HydrophobicContact CG1-CD1 4.21Å; K55-L244 WeakPolarHBondContact O-CB 3.31Å; K55-L244 PolarHBondContact O-N 3.19Å; L56-L244 HydrophobicContact CD2-CB 4.27Å; L56-L244 HydrophobicContact CD2-CD1 3.79Å; L56-L244 HydrophobicContact CD2-CG 4.43Å; G57-L244 PolarHBondContact N-O 3.48Å; V60-L244 HydrophobicContact CG2-CB 4.22Å; I77-L244 HydrophobicContact CD1-CD1 4.08Å; I77-L244 HydrophobicContact CG1-CD1 4.35Å; I242-L244 HydrophobicContact CG2-CD2 3.79Å; I242-L244 HydrophobicContact CG2-CG 4.09Å; L244-A307 WeakPolarHBondContact CA-O 3.35Å; L244-A307 HydrophobicContact CD2-CB 4.12Å; L244-V318 HydrophobicContact CD1-CG1 4.2Å; L244-V318 HydrophobicContact CD2-CG1 4.25Å; L244-V318 HydrophobicContact CD2-CG2 3.88Å; L244-I319 HydrophobicContact CD1-CD1 4.19Å; L244-I319 HydrophobicContact CD1-CG1 4.06Å
245	S	89.1	Confident	87	Confident	5 Å²	5	36.1 Å²	36.1	4%	0.035	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	-176.6	177.3	-157.5	0	0	0	0	111.9	V247 K290 A307 N308 G309	S245-V247 VanDerWaalsContact C-N 3.26Å; S245-K290 WeakPolarHBondContact OG-CE 3.49Å; S245-A307 PolarHBondContact N-O 3.46Å; S245-N308 CarbonylContact O-C 3.56Å; S245-N308 WeakPolarHBondContact O-CA 3.3Å; S245-G309 PolarHBondContact O-N 2.93Å
246	D	84.4	Confident	85.8	Confident	61 Å²	61	37.5 Å²	37.5	33%	0.326	23%	0.225	S	C	.	.	S	Bend	trans	-72.9	-8.8	165	56.9	-17.8	0	0	0	114.8	A59 N308 T310	A59-D246 HydrophobicContact CB-CB 3.9Å; D246-N308 PolarHBondContact O-ND2 3.45Å; D246-T310 HydrophobicContact CB-CG2 4.2Å
247	V	84.7	Confident	84.8	Confident	36 Å²	36	40.9 Å²	40.9	22%	0.218	25%	0.246	C	C	.	.	S	Bend	trans	-96.4	149.5	178.4	-64	0	0	0	0	112	S245 M287 I306 A307 N308	S245-V247 VanDerWaalsContact C-N 3.26Å; V247-M287 HydrophobicContact CB-SD 4.09Å; V247-M287 HydrophobicContact CG1-CG 4.48Å; V247-M287 HydrophobicContact CG1-SD 3.81Å; V247-M287 HydrophobicContact CG2-CE 4.23Å; V247-M287 HydrophobicContact CG2-SD 3.58Å; V247-M287 VanDerWaalsContact CG2-SD 3.58Å; V247-I306 HydrophobicContact CG2-CG2 4.27Å; V247-A307 CarbonylContact O-C 3.51Å; V247-A307 VanDerWaalsContact O-C 3.32Å; V247-N308 WeakPolarHBondContact O-CA 3.39Å; V247-N308 WeakPolarHBondContact O-CB 3.32Å; V247-N308 PolarHBondContact O-N 2.82Å; V247-N308 VanDerWaalsContact O-N 3.09Å
248	E	83	Confident	83.7	Confident	79 Å²	79	43 Å²	43	37%	0.369	26%	0.263	S	S	.	.			trans	-70.6	-32.4	175	-63.3	-168.4	156.7	0	0	113.7	F251 L262 N308 G329	E248-F251 HydrophobicContact CB-CE2 4.14Å; E248-F251 HydrophobicContact CB-CZ 4.09Å; E248-L262 HydrophobicContact CB-CD1 3.95Å; E248-L262 HydrophobicContact CB-CD2 4.44Å; E248-N308 HydrophobicContact CG-CB 4.37Å; E248-G329 VanDerWaalsContact O-CA 3.27Å; E248-G329 WeakPolarHBondContact O-CA 3.44Å
249	G	87	Confident	82.5	Confident	3 Å²	3	49 Å²	49	3%	0.031	30%	0.295	C	S	.	.			trans	153.7	-148.8	-178.8	0	0	0	0	0	109.7
250	L	85.9	Confident	81.4	Confident	5 Å²	5	47.6 Å²	47.6	3%	0.026	29%	0.291	C	S	.	.			trans	-90.7	138.9	174.4	-72.9	160.3	0	0	0	110.4	L262 L263 F266 I274 M287 V291 T330 F332	L250-L262 WeakPolarHBondContact O-CD1 3.47Å; L250-L263 HydrophobicContact CB-CB 4.38Å; L250-L263 HydrophobicContact CB-CD1 4.18Å; L250-L263 WeakPolarHBondContact O-CB 3.49Å; L250-L263 PolarHBondContact O-N 3.37Å; L250-F266 HydrophobicContact CD1-CB 3.89Å; L250-F266 HydrophobicContact CD1-CD1 4.17Å; L250-F266 HydrophobicContact CD1-CD2 4.39Å; L250-F266 HydrophobicContact CD1-CG 3.87Å; L250-I274 HydrophobicContact CD2-CD1 4.21Å; L250-I274 HydrophobicContact CD2-CG2 4.28Å; L250-M287 HydrophobicContact CD2-CE 4.14Å; L250-V291 HydrophobicContact CD1-CG2 4.28Å; L250-V291 HydrophobicContact CD2-CG2 3.65Å; L250-V291 HydrophobicContact CG-CG2 4.35Å; L250-T330 HydrophobicContact CB-CG2 4.1Å; L250-T330 HydrophobicContact CD1-CG2 3.82Å; L250-T330 HydrophobicContact CG-CG2 4.38Å; L250-T330 PolarHBondContact N-OG1 3.24Å; L250-F332 HydrophobicContact CD1-CE1 4.17Å; L250-F332 HydrophobicContact CD1-CE2 3.92Å; L250-F332 HydrophobicContact CD1-CZ 3.43Å; L250-F332 VanDerWaalsContact CD1-CZ 3.43Å
251	F	80.4	Confident	80.3	Confident	40 Å²	40	52.5 Å²	52.5	18%	0.175	31%	0.312	C	S	.	.	B	Isolated β-bridge	trans	-111.1	153.1	175.5	-72.3	-101.8	0	0	0	110.4	E248 S253 P255 A260 K261 L262	E248-F251 HydrophobicContact CB-CE2 4.14Å; E248-F251 HydrophobicContact CB-CZ 4.09Å; F251-S253 WeakPolarHBondContact CB-O 3.47Å; F251-S253 PolarHBondContact O-N 3.36Å; F251-P255 HydrophobicContact CD2-CB 4.21Å; F251-P255 HydrophobicContact CE2-CB 4.29Å; F251-P255 HydrophobicContact CG-CB 4.38Å; F251-A260 HydrophobicContact CD1-CB 4.11Å; F251-K261 VanDerWaalsContact CA-O 3.29Å; F251-K261 WeakPolarHBondContact CA-O 3.49Å; F251-K261 VanDerWaalsContact CD1-C 3.49Å; F251-L262 HydrophobicContact CD1-CB 4.44Å; F251-L262 HydrophobicContact CD2-CD1 4.2Å; F251-L262 HydrophobicContact CE1-CB 4.1Å; F251-L262 HydrophobicContact CE1-CD1 4.43Å; F251-L262 HydrophobicContact CE2-CD1 3.81Å; F251-L262 HydrophobicContact CZ-CB 4.35Å; F251-L262 HydrophobicContact CZ-CD1 3.94Å
252	N	75.2	Confident	79.6	Confident	80 Å²	80	54.8 Å²	54.8	43%	0.428	32%	0.324	S	S	.	.	S	Bend	trans	-69.4	-19.2	173.8	68.4	-12.8	0	0	0	113.4	K261 L263	N252-K261 PolarHBondContact N-O 3.08Å; N252-K261 PolarHBondContact OD1-N 3.48Å; N252-K261 PolarHBondContact OD1-O 2.94Å; N252-L263 HydrophobicContact CB-CD2 4.01Å
253	S	71.5	Confident	78.9	Confident	34 Å²	34	57.1 Å²	57.1	24%	0.238	34%	0.336	C	S	.	.	S	Bend	trans	-150.4	167.2	178.2	58.7	0	0	0	0	109.6	F251 A260	F251-S253 WeakPolarHBondContact CB-O 3.47Å; F251-S253 PolarHBondContact O-N 3.36Å; S253-A260 VanDerWaalsContact OG-CA 3.3Å; S253-A260 WeakPolarHBondContact OG-CA 3.37Å
254	P	70.9	Confident	78.5	Confident	65 Å²	65	58.2 Å²	58.2	42%	0.422	34%	0.341	S	S	.	.			trans	-54.7	128.7	-177	-27.6	36.2	0	0	0	112.3	G256 T257	P254-G256 PolarHBondContact O-N 3.04Å; P254-T257 PolarHBondContact O-N 3.45Å; P254-T257 PolarHBondContact O-OG1 3.35Å
255	P	68.3	Low	78.2	Confident	92 Å²	92	60.8 Å²	60.8	60%	0.597	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	132.9	-177.6	22.9	-31.9	0	0	0	111.1	F251	F251-P255 HydrophobicContact CD2-CB 4.21Å; F251-P255 HydrophobicContact CE2-CB 4.29Å; F251-P255 HydrophobicContact CG-CB 4.38Å
256	G	66.6	Low	78.2	Confident	82 Å²	82	60.8 Å²	60.8	85%	0.845	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	106.9	-3.7	-178.4	0	0	0	0	0	115.2	P254	P254-G256 PolarHBondContact O-N 3.04Å
257	T	72.2	Confident	78.2	Confident	73 Å²	73	61.4 Å²	61.4	45%	0.448	35%	0.351	S	S	.	.	S	Bend	trans	-81.3	152.1	161.9	55.9	0	0	0	0	110.4	P254 D259 A260	P254-T257 PolarHBondContact O-N 3.45Å; P254-T257 PolarHBondContact O-OG1 3.35Å; T257-D259 PolarHBondContact O-N 2.94Å; T257-D259 VanDerWaalsContact O-N 3.13Å; T257-A260 WeakPolarHBondContact O-CB 3.45Å; T257-A260 PolarHBondContact O-N 3.44Å; T257-A260 VanDerWaalsContact O-N 3.13Å; T257-A260 WeakPolarHBondContact OG1-CB 3.32Å
258	D	68.6	Low	78.2	Confident	171 Å²	171	61.4 Å²	61.4	91%	0.914	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-26.9	-178.3	-70.3	-24.1	0	0	0	113
259	D	69.6	Low	77.9	Confident	130 Å²	130	60.1 Å²	60.1	70%	0.695	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.4	3.9	-178.3	-61.9	-43	0	0	0	114.5	T257 K261	T257-D259 PolarHBondContact O-N 2.94Å; T257-D259 VanDerWaalsContact O-N 3.13Å; D259-K261 PolarHBondContact O-N 3.3Å
260	A	73.3	Confident	77.3	Confident	25 Å²	25	62.8 Å²	62.8	21%	0.207	37%	0.374	C	S	.	.			trans	-67.7	114	179.4	0	0	0	0	0	111.5	F251 S253 T257	F251-A260 HydrophobicContact CD1-CB 4.11Å; S253-A260 VanDerWaalsContact OG-CA 3.3Å; S253-A260 WeakPolarHBondContact OG-CA 3.37Å; T257-A260 WeakPolarHBondContact O-CB 3.45Å; T257-A260 PolarHBondContact O-N 3.44Å; T257-A260 VanDerWaalsContact O-N 3.13Å; T257-A260 WeakPolarHBondContact OG1-CB 3.32Å
261	K	74.1	Confident	76.4	Confident	103 Å²	103	67.2 Å²	67.2	45%	0.448	39%	0.394	S	S	.	.			trans	-112	135.6	176.5	-62.2	180	-175.4	173.8	0	110.5	F251 N252 D259 E347	F251-K261 VanDerWaalsContact CA-O 3.29Å; F251-K261 WeakPolarHBondContact CA-O 3.49Å; F251-K261 VanDerWaalsContact CD1-C 3.49Å; N252-K261 PolarHBondContact N-O 3.08Å; N252-K261 PolarHBondContact OD1-N 3.48Å; N252-K261 PolarHBondContact OD1-O 2.94Å; D259-K261 PolarHBondContact O-N 3.3Å; K261-E347 IonicContact NZ-OE2 3.58Å; K261-E347 PolarHBondContact NZ-OE2 3.16Å
262	L	82.1	Confident	75.5	Confident	53 Å²	53	74.9 Å²	74.9	28%	0.277	43%	0.431	S	S	.	.	B	Isolated β-bridge	trans	-67.8	134.2	172.7	-174.9	72.2	0	0	0	109.4	E248 L250 F251	E248-L262 HydrophobicContact CB-CD1 3.95Å; E248-L262 HydrophobicContact CB-CD2 4.44Å; L250-L262 WeakPolarHBondContact O-CD1 3.47Å; F251-L262 HydrophobicContact CD1-CB 4.44Å; F251-L262 HydrophobicContact CD2-CD1 4.2Å; F251-L262 HydrophobicContact CE1-CB 4.1Å; F251-L262 HydrophobicContact CE1-CD1 4.43Å; F251-L262 HydrophobicContact CE2-CD1 3.81Å; F251-L262 HydrophobicContact CZ-CB 4.35Å; F251-L262 HydrophobicContact CZ-CD1 3.94Å
263	L	83.1	Confident	74.7	Confident	49 Å²	49	75.1 Å²	75.1	26%	0.257	44%	0.439	S	S	.	.			trans	-85.7	118.3	174.8	-62.6	176.6	0	0	0	109.3	L250 N252 T330	L250-L263 HydrophobicContact CB-CB 4.38Å; L250-L263 HydrophobicContact CB-CD1 4.18Å; L250-L263 WeakPolarHBondContact O-CB 3.49Å; L250-L263 PolarHBondContact O-N 3.37Å; N252-L263 HydrophobicContact CB-CD2 4.01Å; L263-T330 HydrophobicContact CB-CG2 4.38Å; L263-T330 WeakPolarHBondContact O-CA 3.38Å; L263-T330 WeakPolarHBondContact O-CB 3.34Å; L263-T330 VanDerWaalsContact O-CG2 3.24Å; L263-T330 WeakPolarHBondContact O-CG2 3.47Å; L263-T330 PolarHBondContact O-OG1 3.38Å
264	D	85.4	Confident	74.3	Confident	37 Å²	37	74.4 Å²	74.4	20%	0.198	43%	0.432	C	S	.	.	S	Bend	trans	-71.8	-35	175.6	-68.9	-41.2	0	0	0	112.6	R43 K327 F331	R43-D264 PolarHBondContact NH1-O 2.71Å; R43-D264 VanDerWaalsContact NH1-O 3.17Å; D264-K327 WeakPolarHBondContact OD2-CD 3.47Å; D264-K327 IonicContact OD2-NZ 3.42Å; D264-F331 WeakPolarHBondContact O-CB 3.36Å; D264-F331 PolarHBondContact O-N 2.83Å
265	I	87	Confident	73.8	Confident	54 Å²	54	76.4 Å²	76.4	28%	0.277	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	134	-179.6	-55.7	179.4	0	0	0	108.9	F331 P337	I265-F331 CarbonylContact C-O 3.55Å; I265-F331 VanDerWaalsContact CA-O 3.24Å; I265-F331 WeakPolarHBondContact CA-O 3.32Å; I265-F331 HydrophobicContact CG1-CD1 4.34Å; I265-F331 HydrophobicContact CG2-CD1 4.46Å; I265-P337 HydrophobicContact CB-CG 4.37Å; I265-P337 HydrophobicContact CD1-CG 4.4Å; I265-P337 HydrophobicContact CG2-CG 4.05Å
266	F	88.1	Confident	73.6	Confident	5 Å²	5	75.5 Å²	75.5	2%	0.022	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	126.7	171	176.5	-111.6	0	0	0	110.9	L250 Q271 I274 L295 T330 F331 F332 S333	L250-F266 HydrophobicContact CD1-CB 3.89Å; L250-F266 HydrophobicContact CD1-CD1 4.17Å; L250-F266 HydrophobicContact CD1-CD2 4.39Å; L250-F266 HydrophobicContact CD1-CG 3.87Å; F266-Q271 HydrophobicContact CZ-CB 4.32Å; F266-I274 HydrophobicContact CD2-CD1 3.59Å; F266-I274 HydrophobicContact CE1-CD1 4.44Å; F266-I274 HydrophobicContact CE2-CD1 3.08Å; F266-I274 HydrophobicContact CE2-CG1 4.17Å; F266-I274 HydrophobicContact CG-CD1 4.47Å; F266-I274 HydrophobicContact CZ-CD1 3.56Å; F266-L295 HydrophobicContact CE1-CD2 3.95Å; F266-L295 HydrophobicContact CE1-CG 4.49Å; F266-T330 HydrophobicContact CB-CG2 3.69Å; F266-F331 PolarHBondContact N-O 2.87Å; F266-F332 AromaticContact CD1-CD1 3.54Å; F266-F332 HydrophobicContact CD1-CD1 3.54Å; F266-F332 AromaticContact CD1-CE1 3.42Å; F266-F332 HydrophobicContact CD1-CE1 3.42Å; F266-F332 VanDerWaalsContact CD1-CE1 3.42Å; F266-F332 HydrophobicContact CD1-CG 4.34Å; F266-F332 HydrophobicContact CD1-CZ 4.16Å; F266-F332 HydrophobicContact CE1-CD1 4.22Å; F266-F332 AromaticContact CE1-CE1 3.95Å; F266-F332 HydrophobicContact CE1-CE1 3.95Å; F266-F332 HydrophobicContact CG-CE1 4.39Å; F266-S333 PolarHBondContact O-N 2.82Å
267	Y	86.1	Confident	73.1	Confident	73 Å²	73	74 Å²	74	29%	0.286	41%	0.413	S	S	.	.			trans	-102.7	125.7	173.1	174	-115.6	0	0	0	109.7	G269 D270 E334 K336	Y267-G269 VanDerWaalsContact CE1-CA 3.45Å; Y267-G269 PolarHBondContact O-N 3.39Å; Y267-D270 PolarHBondContact O-N 3.43Å; Y267-E334 VanDerWaalsContact CE2-O 3.29Å; Y267-E334 WeakPolarHBondContact CE2-O 3.35Å; Y267-K336 HydrophobicContact CD1-CB 3.91Å; Y267-K336 HydrophobicContact CD1-CD 3.96Å; Y267-K336 HydrophobicContact CD1-CG 3.99Å; Y267-K336 HydrophobicContact CD2-CB 4.09Å; Y267-K336 HydrophobicContact CE1-CB 4.03Å; Y267-K336 HydrophobicContact CE1-CD 4.11Å; Y267-K336 HydrophobicContact CE1-CG 4.4Å; Y267-K336 HydrophobicContact CE2-CB 4.25Å; Y267-K336 HydrophobicContact CG-CB 3.93Å; Y267-K336 HydrophobicContact CG-CG 4.25Å
268	P	83.9	Confident	72.1	Confident	36 Å²	36	77.4 Å²	77.4	23%	0.234	43%	0.434	C	S	.	.	G	3₁₀ helix	trans	-55.1	-26.5	-177.1	-28.1	33.5	0	0	0	115.3	D270 Q271 L295 L298 S333	P268-D270 PolarHBondContact O-N 3.03Å; P268-Q271 WeakPolarHBondContact O-CB 3.49Å; P268-Q271 PolarHBondContact O-N 3.48Å; P268-L295 HydrophobicContact CB-CD2 3.71Å; P268-L295 HydrophobicContact CG-CD2 3.59Å; P268-L298 HydrophobicContact CG-CD2 3.7Å; P268-S333 WeakPolarHBondContact CD-O 3.41Å
269	G	77.5	Confident	71.3	Confident	53 Å²	53	77 Å²	77	55%	0.546	42%	0.424	S	S	.	.	G	3₁₀ helix	trans	-67.1	-18	177	0	0	0	0	0	114.2	Y267 Q271	Y267-G269 VanDerWaalsContact CE1-CA 3.45Å; Y267-G269 PolarHBondContact O-N 3.39Å; G269-Q271 VanDerWaalsContact C-N 3.32Å
270	D	73.1	Confident	70.3	Confident	58 Å²	58	72.5 Å²	72.5	31%	0.31	40%	0.403	S	S	.	.	G	3₁₀ helix	trans	-93.8	16.1	178.1	-56.5	-35.6	0	0	0	111.7	Y267 P268 Q272 S273 K336	Y267-D270 PolarHBondContact O-N 3.43Å; P268-D270 PolarHBondContact O-N 3.03Å; D270-Q272 PolarHBondContact O-N 3.46Å; D270-S273 PolarHBondContact O-N 3.01Å; D270-S273 VanDerWaalsContact O-N 3.08Å; D270-S273 PolarHBondContact O-OG 3.12Å; D270-K336 IonicContact OD1-NZ 2.69Å; D270-K336 PolarHBondContact OD1-NZ 2.92Å; D270-K336 IonicContact OD2-NZ 2.9Å
271	Q	68.6	Low	68.7	Low	98 Å²	98	83.2 Å²	83.2	46%	0.458	44%	0.438	S	S	.	.	G	3₁₀ helix	trans	-58.2	-26.3	-176.2	-172.6	176.3	6.4	0	0	114.5	F266 P268 G269 S273	F266-Q271 HydrophobicContact CZ-CB 4.32Å; P268-Q271 WeakPolarHBondContact O-CB 3.49Å; P268-Q271 PolarHBondContact O-N 3.48Å; G269-Q271 VanDerWaalsContact C-N 3.32Å; Q271-S273 VanDerWaalsContact C-N 3.27Å; Q271-S273 PolarHBondContact O-N 3.33Å
272	Q	59.7	Low	67.1	Low	201 Å²	201	81 Å²	81	94%	0.939	43%	0.433	S	S	*	.	G	3₁₀ helix	trans	-73.6	-13.8	179.7	-67.2	-175	-8.5	0	0	113.9	D270	D270-Q272 PolarHBondContact O-N 3.46Å
273	S	59	Low	65.4	Low	85 Å²	85	79.6 Å²	79.6	59%	0.594	43%	0.431	S	S	*	.	G	3₁₀ helix	trans	-92.7	-4.3	-179.3	63.7	0	0	0	0	114	D270 Q271	D270-S273 PolarHBondContact O-N 3.01Å; D270-S273 VanDerWaalsContact O-N 3.08Å; D270-S273 PolarHBondContact O-OG 3.12Å; Q271-S273 VanDerWaalsContact C-N 3.27Å; Q271-S273 PolarHBondContact O-N 3.33Å
274	I	64.3	Low	63.5	Low	20 Å²	20	84 Å²	84	10%	0.103	45%	0.454	C	S	.	.	P	Polyproline II helix	trans	-93	129.7	-177.6	-62.9	169.8	0	0	0	111.2	L250 F266 Y276	L250-I274 HydrophobicContact CD2-CD1 4.21Å; L250-I274 HydrophobicContact CD2-CG2 4.28Å; F266-I274 HydrophobicContact CD2-CD1 3.59Å; F266-I274 HydrophobicContact CE1-CD1 4.44Å; F266-I274 HydrophobicContact CE2-CD1 3.08Å; F266-I274 HydrophobicContact CE2-CG1 4.17Å; F266-I274 HydrophobicContact CG-CD1 4.47Å; F266-I274 HydrophobicContact CZ-CD1 3.56Å; I274-Y276 HydrophobicContact CG2-CD1 4.17Å; I274-Y276 HydrophobicContact CG2-CE1 3.84Å
275	T	58.8	Low	62	Low	107 Å²	107	82.6 Å²	82.6	66%	0.656	45%	0.448	S	S	*	.	P	Polyproline II helix	trans	-102.9	123.9	168.9	-55	0	0	0	0	110
276	Y	64.8	Low	61.2	Low	72 Å²	72	80.5 Å²	80.5	28%	0.282	44%	0.439	S	S	.	.	P	Polyproline II helix	trans	-86.5	131.4	179.5	-58.2	-74	0	0	0	111.6	I274 M287 E288 V291	I274-Y276 HydrophobicContact CG2-CD1 4.17Å; I274-Y276 HydrophobicContact CG2-CE1 3.84Å; Y276-M287 HydrophobicContact CD1-CB 4.18Å; Y276-E288 HydrophobicContact CD1-CB 4.26Å; Y276-E288 HydrophobicContact CD2-CB 4.41Å; Y276-E288 HydrophobicContact CD2-CG 4.48Å; Y276-E288 HydrophobicContact CE2-CG 4.48Å; Y276-E288 HydrophobicContact CG-CB 4.19Å; Y276-V291 HydrophobicContact CE1-CB 4.13Å; Y276-V291 HydrophobicContact CE1-CG1 4.41Å; Y276-V291 HydrophobicContact CE1-CG2 3.92Å
277	G	55.8	Low	60.7	Low	51 Å²	51	81.8 Å²	81.8	53%	0.526	45%	0.446	S	S	.	.	P	Polyproline II helix	trans	-74.9	173.8	171.2	0	0	0	0	0	113.7
278	T	50.5	Low	60.3	Low	145 Å²	145	84.5 Å²	84.5	89%	0.89	46%	0.461	S	S	*	.	P	Polyproline II helix	trans	-65.2	153.7	179	36	0	0	0	0	113.8
279	K	52.4	Low	60.1	Low	163 Å²	163	84 Å²	84	71%	0.709	46%	0.461	S	S	*	.	P	Polyproline II helix	trans	-60.1	144	-179.6	-63.7	-179.4	-179.8	-178.8	0	112.4
280	S	49.5	Very low	60.5	Low	34 Å²	34	82.3 Å²	82.3	24%	0.238	44%	0.438	C	S	.	.	P	Polyproline II helix	trans	-63.1	153.4	171.5	64.7	0	0	0	0	111.7	V282 G283	S280-V282 VanDerWaalsContact C-N 3.34Å; S280-V282 PolarHBondContact O-N 3.35Å; S280-G283 WeakPolarHBondContact OG-CA 3.49Å; S280-G283 PolarHBondContact OG-N 2.99Å; S280-G283 VanDerWaalsContact OG-N 3.13Å
281	R	40.1	Very low	61.1	Low	250 Å²	250	79.6 Å²	79.6	94%	0.943	42%	0.423	S	S	*	.	S	Bend	trans	-66.4	-26.1	-178.2	-71.8	-179	-179.9	175.8	0.3	115
282	V	40	Very low	62	Low	57 Å²	57	81.9 Å²	81.9	35%	0.345	43%	0.432	S	S	.	.	S	Bend	trans	-116.5	-21.4	-174.8	-72	0	0	0	0	115.8	A59 E66 S280	A59-V282 HydrophobicContact CB-CG2 4.49Å; E66-V282 HydrophobicContact CG-CG1 3.82Å; E66-V282 WeakPolarHBondContact OE1-CG1 3.25Å; E66-V282 WeakPolarHBondContact OE2-CG1 3.45Å; S280-V282 VanDerWaalsContact C-N 3.34Å; S280-V282 PolarHBondContact O-N 3.35Å
283	G	45.8	Very low	63.4	Low	24 Å²	24	72.6 Å²	72.6	25%	0.247	39%	0.389	C	S	.	.			trans	-83.6	138.3	179	0	0	0	0	0	112.1	S280 G285	S280-G283 WeakPolarHBondContact OG-CA 3.49Å; S280-G283 PolarHBondContact OG-N 2.99Å; S280-G283 VanDerWaalsContact OG-N 3.13Å; G283-G285 PolarHBondContact O-N 3.31Å
284	I	43.9	Very low	64.9	Low	141 Å²	141	68.7 Å²	68.7	72%	0.723	36%	0.363	S	S	*	.	S	Bend	trans	-68.9	-28	174.1	-55.2	174.3	0	0	0	110.5
285	G	54	Low	66.2	Low	7 Å²	7	68.5 Å²	68.5	7%	0.072	36%	0.362	C	S	.	.	S	Bend	trans	-111	127.7	-177.6	0	0	0	0	0	114.6	G283 K290	G283-G285 PolarHBondContact O-N 3.31Å; G285-K290 PolarHBondContact O-NZ 3.42Å; G285-K290 VanDerWaalsContact O-NZ 3.12Å
286	G	69.3	Low	67.7	Low	10 Å²	10	66.3 Å²	66.3	10%	0.103	34%	0.341	C	S	.	.			trans	-76	-174.4	172.6	0	0	0	0	0	113.5	E288 A289 K290	G286-E288 PolarHBondContact O-N 3.39Å; G286-A289 PolarHBondContact O-N 3.16Å; G286-K290 PolarHBondContact O-N 3.17Å
287	M	78.3	Confident	69	Low	32 Å²	32	62.9 Å²	62.9	16%	0.158	33%	0.328	C	S	.	.	H	α-helix	trans	-59.4	-34.8	176.3	-82.3	-57.1	-70.5	0	0	113.1	V247 L250 Y276 A289 K290 V291	V247-M287 HydrophobicContact CB-SD 4.09Å; V247-M287 HydrophobicContact CG1-CG 4.48Å; V247-M287 HydrophobicContact CG1-SD 3.81Å; V247-M287 HydrophobicContact CG2-CE 4.23Å; V247-M287 HydrophobicContact CG2-SD 3.58Å; V247-M287 VanDerWaalsContact CG2-SD 3.58Å; L250-M287 HydrophobicContact CD2-CE 4.14Å; Y276-M287 HydrophobicContact CD1-CB 4.18Å; M287-A289 VanDerWaalsContact C-N 3.34Å; M287-A289 PolarHBondContact O-N 3.23Å; M287-K290 PolarHBondContact O-N 3.34Å; M287-K290 HydrophobicContact SD-CD 4.13Å; M287-V291 WeakPolarHBondContact O-CG2 3.37Å; M287-V291 PolarHBondContact O-N 3.06Å
288	E	78.1	Confident	70.7	Confident	131 Å²	131	60.6 Å²	60.6	61%	0.612	30%	0.304	S	S	*	.	H	α-helix	trans	-58.1	-43.1	175.1	-173.7	-177.2	-174.2	0	0	112.5	Y276 G286 K290 V291 K292	Y276-E288 HydrophobicContact CD1-CB 4.26Å; Y276-E288 HydrophobicContact CD2-CB 4.41Å; Y276-E288 HydrophobicContact CD2-CG 4.48Å; Y276-E288 HydrophobicContact CE2-CG 4.48Å; Y276-E288 HydrophobicContact CG-CB 4.19Å; G286-E288 PolarHBondContact O-N 3.39Å; E288-K290 PolarHBondContact O-N 3.18Å; E288-V291 PolarHBondContact O-N 2.89Å; E288-K292 WeakPolarHBondContact O-CB 3.4Å; E288-K292 PolarHBondContact O-N 2.8Å
289	A	78.4	Confident	72.6	Confident	26 Å²	26	60.6 Å²	60.6	22%	0.215	29%	0.294	C	S	.	.	H	α-helix	trans	-64.9	-41	178.7	0	0	0	0	0	111.6	G286 M287 K292 A293	G286-A289 PolarHBondContact O-N 3.16Å; M287-A289 VanDerWaalsContact C-N 3.34Å; M287-A289 PolarHBondContact O-N 3.23Å; A289-K292 PolarHBondContact O-N 3.44Å; A289-A293 WeakPolarHBondContact O-CB 3.46Å; A289-A293 PolarHBondContact O-N 3.35Å
290	K	85.9	Confident	74.3	Confident	16 Å²	16	54.4 Å²	54.4	7%	0.07	28%	0.276	C	S	.	.	H	α-helix	trans	-63.7	-45.6	177.1	-64	-176.7	178.4	73.9	0	112	S245 G285 G286 M287 E288 A293 A294 I306	S245-K290 WeakPolarHBondContact OG-CE 3.49Å; G285-K290 PolarHBondContact O-NZ 3.42Å; G285-K290 VanDerWaalsContact O-NZ 3.12Å; G286-K290 PolarHBondContact O-N 3.17Å; M287-K290 PolarHBondContact O-N 3.34Å; M287-K290 HydrophobicContact SD-CD 4.13Å; E288-K290 PolarHBondContact O-N 3.18Å; K290-A293 PolarHBondContact O-N 3.3Å; K290-A294 WeakPolarHBondContact O-CB 3.4Å; K290-A294 PolarHBondContact O-N 3.21Å; K290-I306 HydrophobicContact CB-CD1 4.18Å
291	V	86.9	Confident	76.2	Confident	1 Å²	1	53.7 Å²	53.7	1%	0.006	27%	0.274	C	S	.	.	H	α-helix	trans	-64.8	-41.9	177.1	173.6	0	0	0	0	111.1	L250 Y276 M287 E288 A293 A294 L295 F332	L250-V291 HydrophobicContact CD1-CG2 4.28Å; L250-V291 HydrophobicContact CD2-CG2 3.65Å; L250-V291 HydrophobicContact CG-CG2 4.35Å; Y276-V291 HydrophobicContact CE1-CB 4.13Å; Y276-V291 HydrophobicContact CE1-CG1 4.41Å; Y276-V291 HydrophobicContact CE1-CG2 3.92Å; M287-V291 WeakPolarHBondContact O-CG2 3.37Å; M287-V291 PolarHBondContact O-N 3.06Å; E288-V291 PolarHBondContact O-N 2.89Å; V291-A293 PolarHBondContact O-N 3.36Å; V291-A294 PolarHBondContact O-N 3.23Å; V291-L295 HydrophobicContact CG1-CD1 3.91Å; V291-L295 HydrophobicContact CG1-CG 4.25Å; V291-L295 WeakPolarHBondContact O-CB 3.25Å; V291-L295 WeakPolarHBondContact O-CG 3.43Å; V291-L295 PolarHBondContact O-N 2.88Å; V291-F332 HydrophobicContact CG1-CE1 4.3Å; V291-F332 HydrophobicContact CG2-CZ 4.39Å
292	K	86.3	Confident	78.7	Confident	146 Å²	146	41.8 Å²	41.8	64%	0.635	23%	0.229	S	C	*	.	H	α-helix	trans	-62.1	-44	176.9	-172	177	-178.6	177.8	0	112.1	E288 A289 W296	E288-K292 WeakPolarHBondContact O-CB 3.4Å; E288-K292 PolarHBondContact O-N 2.8Å; A289-K292 PolarHBondContact O-N 3.44Å; K292-W296 WeakPolarHBondContact O-CB 3.45Å; K292-W296 PolarHBondContact O-N 2.93Å; K292-W296 VanDerWaalsContact O-N 3.09Å
293	A	88.9	Confident	81.4	Confident	6 Å²	6	39.1 Å²	39.1	5%	0.05	21%	0.213	C	C	.	.	H	α-helix	trans	-63.4	-44.4	175.6	0	0	0	0	0	111.6	D226 A230 A289 K290 V291 W296 A297	D226-A293 HydrophobicContact CB-CB 4.2Å; A230-A293 HydrophobicContact CB-CB 3.98Å; A230-A293 VanDerWaalsContact CB-O 3.31Å; A230-A293 WeakPolarHBondContact CB-O 3.5Å; A289-A293 WeakPolarHBondContact O-CB 3.46Å; A289-A293 PolarHBondContact O-N 3.35Å; K290-A293 PolarHBondContact O-N 3.3Å; V291-A293 PolarHBondContact O-N 3.36Å; A293-W296 PolarHBondContact O-N 3.28Å; A293-A297 PolarHBondContact O-N 3.43Å
294	A	91.4	Very high	83.7	Confident	4 Å²	4	38 Å²	38	3%	0.033	20%	0.201	C	C	.	.	H	α-helix	trans	-62.3	-45.2	177.2	0	0	0	0	0	112.6	K290 V291 W296 A297 L298 V304 I306 F332	K290-A294 WeakPolarHBondContact O-CB 3.4Å; K290-A294 PolarHBondContact O-N 3.21Å; V291-A294 PolarHBondContact O-N 3.23Å; A294-W296 VanDerWaalsContact C-N 3.33Å; A294-W296 PolarHBondContact O-N 3.03Å; A294-A297 PolarHBondContact O-N 2.95Å; A294-L298 WeakPolarHBondContact O-CB 3.49Å; A294-L298 PolarHBondContact O-N 3.3Å; A294-V304 HydrophobicContact CB-CB 4.21Å; A294-V304 HydrophobicContact CB-CG1 3.65Å; A294-V304 WeakPolarHBondContact O-CG2 3.45Å; A294-I306 HydrophobicContact CB-CD1 4.14Å; A294-F332 HydrophobicContact CB-CD1 3.9Å; A294-F332 HydrophobicContact CB-CD2 4.35Å; A294-F332 HydrophobicContact CB-CE1 3.65Å; A294-F332 HydrophobicContact CB-CE2 4.14Å; A294-F332 HydrophobicContact CB-CG 4.26Å; A294-F332 HydrophobicContact CB-CZ 3.78Å
295	L	90.4	Very high	86.2	Confident	16 Å²	16	31.3 Å²	31.3	8%	0.084	17%	0.167	C	C	.	.	H	α-helix	trans	-61.7	-40.1	177	-78.2	175.9	0	0	0	112.4	F266 P268 V291 L298 Q299 F332	F266-L295 HydrophobicContact CE1-CD2 3.95Å; F266-L295 HydrophobicContact CE1-CG 4.49Å; P268-L295 HydrophobicContact CB-CD2 3.71Å; P268-L295 HydrophobicContact CG-CD2 3.59Å; V291-L295 HydrophobicContact CG1-CD1 3.91Å; V291-L295 HydrophobicContact CG1-CG 4.25Å; V291-L295 WeakPolarHBondContact O-CB 3.25Å; V291-L295 WeakPolarHBondContact O-CG 3.43Å; V291-L295 PolarHBondContact O-N 2.88Å; L295-L298 PolarHBondContact O-N 2.62Å; L295-Q299 VanDerWaalsContact O-CG 3.31Å; L295-Q299 WeakPolarHBondContact O-CG 3.5Å; L295-Q299 PolarHBondContact O-N 3.41Å; L295-F332 HydrophobicContact CD2-CD1 4.34Å; L295-F332 HydrophobicContact CG-CE1 4.49Å
296	W	90.5	Very high	88.1	Confident	61 Å²	61	31 Å²	31	23%	0.231	16%	0.164	C	C	.	.	H	α-helix	trans	-69.1	-41.6	177.9	-174.3	94.8	0	0	0	112.1	I220 A230 R231 V234 K292 A293 A294 L298 Q299 G300	I220-W296 HydrophobicContact CD1-CB 3.28Å; I220-W296 HydrophobicContact CD1-CD2 3.63Å; I220-W296 HydrophobicContact CD1-CE3 4.24Å; I220-W296 HydrophobicContact CD1-CG 3.18Å; I220-W296 HydrophobicContact CG1-CB 4.25Å; I220-W296 HydrophobicContact CG1-CD2 4.16Å; I220-W296 HydrophobicContact CG1-CG 3.75Å; A230-W296 HydrophobicContact CB-CE3 4.24Å; R231-W296 HydrophobicContact CB-CH2 4.43Å; R231-W296 HydrophobicContact CB-CZ3 4.33Å; R231-W296 HydrophobicContact CG-CH2 4.09Å; R231-W296 HydrophobicContact CG-CZ3 4.48Å; V234-W296 HydrophobicContact CB-CH2 4.07Å; V234-W296 HydrophobicContact CB-CZ3 3.7Å; V234-W296 HydrophobicContact CG1-CH2 4.19Å; V234-W296 HydrophobicContact CG1-CZ3 4.23Å; V234-W296 HydrophobicContact CG2-CE3 4.01Å; V234-W296 HydrophobicContact CG2-CH2 4.22Å; V234-W296 HydrophobicContact CG2-CZ3 3.44Å; V234-W296 VanDerWaalsContact CG2-CZ3 3.44Å; K292-W296 WeakPolarHBondContact O-CB 3.45Å; K292-W296 PolarHBondContact O-N 2.93Å; K292-W296 VanDerWaalsContact O-N 3.09Å; A293-W296 PolarHBondContact O-N 3.28Å; A294-W296 VanDerWaalsContact C-N 3.33Å; A294-W296 PolarHBondContact O-N 3.03Å; W296-L298 VanDerWaalsContact C-N 3.3Å; W296-L298 PolarHBondContact O-N 3.08Å; W296-Q299 PolarHBondContact O-N 3.45Å; W296-G300 PolarHBondContact O-N 2.89Å
297	A	92.3	Very high	89.2	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-62.2	-39.9	174	0	0	0	0	0	111.7	A230 V234 L241 A293 A294 G300 G301 T302 V304	A230-A297 HydrophobicContact CB-CB 3.96Å; V234-A297 HydrophobicContact CG2-CB 4.28Å; L241-A297 HydrophobicContact CD2-CB 4.12Å; A293-A297 PolarHBondContact O-N 3.43Å; A294-A297 PolarHBondContact O-N 2.95Å; A297-G300 CarbonylContact O-C 3.48Å; A297-G300 WeakPolarHBondContact O-CA 3.46Å; A297-G300 PolarHBondContact O-N 3.02Å; A297-G300 VanDerWaalsContact O-N 3.12Å; A297-G301 PolarHBondContact O-N 2.97Å; A297-T302 CarbonylContact C-O 3.55Å; A297-T302 PolarHBondContact O-N 3.28Å; A297-V304 HydrophobicContact CB-CG2 3.73Å
298	L	91.8	Very high	89.8	Confident	2 Å²	2	29.6 Å²	29.6	1%	0.01	15%	0.154	C	C	.	.	H	α-helix	trans	-59.4	-48.1	174.2	-172.4	71	0	0	0	112	P268 A294 L295 W296 G300 G301 T302 F332 E334	P268-L298 HydrophobicContact CG-CD2 3.7Å; A294-L298 WeakPolarHBondContact O-CB 3.49Å; A294-L298 PolarHBondContact O-N 3.3Å; L295-L298 PolarHBondContact O-N 2.62Å; W296-L298 VanDerWaalsContact C-N 3.3Å; W296-L298 PolarHBondContact O-N 3.08Å; L298-G300 PolarHBondContact O-N 2.88Å; L298-G301 PolarHBondContact O-N 3.01Å; L298-T302 VanDerWaalsContact CA-O 3.25Å; L298-T302 WeakPolarHBondContact CA-O 3.23Å; L298-T302 PolarHBondContact N-O 3.03Å; L298-F332 HydrophobicContact CD2-CB 4.26Å; L298-E334 HydrophobicContact CD1-CG 4.06Å; L298-E334 HydrophobicContact CD2-CG 3.86Å; L298-E334 HydrophobicContact CG-CG 3.76Å
299	Q	89.8	Confident	90.2	Very high	146 Å²	146	23.3 Å²	23.3	68%	0.682	13%	0.125	S	C	*	.	H	α-helix	trans	-61.6	-28.5	175.2	-72.6	173	-0.9	0	0	112.9	L295 W296 G301	L295-Q299 VanDerWaalsContact O-CG 3.31Å; L295-Q299 WeakPolarHBondContact O-CG 3.5Å; L295-Q299 PolarHBondContact O-N 3.41Å; W296-Q299 PolarHBondContact O-N 3.45Å; Q299-G301 PolarHBondContact O-N 2.86Å
300	G	88.8	Confident	90.5	Very high	32 Å²	32	23.5 Å²	23.5	33%	0.33	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-0.3	173	0	0	0	0	0	114.7	W296 A297 L298	W296-G300 PolarHBondContact O-N 2.89Å; A297-G300 CarbonylContact O-C 3.48Å; A297-G300 WeakPolarHBondContact O-CA 3.46Å; A297-G300 PolarHBondContact O-N 3.02Å; A297-G300 VanDerWaalsContact O-N 3.12Å; L298-G300 PolarHBondContact O-N 2.88Å
301	G	89.8	Confident	89.9	Confident	19 Å²	19	24.8 Å²	24.8	20%	0.196	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	92.4	4.9	179	0	0	0	0	0	115	S39 A297 L298 Q299	S39-G301 WeakPolarHBondContact CA-O 3.43Å; S39-G301 PolarHBondContact N-O 3.08Å; A297-G301 PolarHBondContact O-N 2.97Å; L298-G301 PolarHBondContact O-N 3.01Å; Q299-G301 PolarHBondContact O-N 2.86Å
302	T	92.9	Very high	88.6	Confident	1 Å²	1	30 Å²	30	1%	0.006	17%	0.165	C	C	.	.			trans	-96.8	129.2	178.8	-64.8	0	0	0	0	111.1	A233 A238 L241 A297 L298	A233-T302 HydrophobicContact CB-CG2 4.01Å; A238-T302 HydrophobicContact CB-CG2 4.46Å; A238-T302 WeakPolarHBondContact O-CB 3.36Å; A238-T302 WeakPolarHBondContact O-CG2 3.38Å; A238-T302 PolarHBondContact O-OG1 2.93Å; L241-T302 HydrophobicContact CB-CG2 3.92Å; A297-T302 CarbonylContact C-O 3.55Å; A297-T302 PolarHBondContact O-N 3.28Å; L298-T302 VanDerWaalsContact CA-O 3.25Å; L298-T302 WeakPolarHBondContact CA-O 3.23Å; L298-T302 PolarHBondContact N-O 3.03Å
303	S	95.3	Very high	87.1	Confident	1 Å²	1	32.6 Å²	32.6	1%	0.007	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	142.4	175.3	-41.2	0	0	0	0	110.3	F40 D239 L240 L241	F40-S303 WeakPolarHBondContact CB-OG 3.05Å; F40-S303 WeakPolarHBondContact CD2-OG 3.42Å; F40-S303 PolarHBondContact N-OG 2.91Å; D239-S303 VanDerWaalsContact O-CB 3.23Å; D239-S303 WeakPolarHBondContact O-CB 3.08Å; D239-S303 PolarHBondContact O-N 3.4Å; D239-S303 PolarHBondContact O-OG 2.9Å; L240-S303 CarbonylContact C-O 3.5Å; L240-S303 WeakPolarHBondContact CA-O 3.32Å; L240-S303 WeakPolarHBondContact CD1-O 3.05Å; L241-S303 PolarHBondContact N-O 2.93Å
304	V	95.8	Very high	85.4	Confident	1 Å²	1	34.5 Å²	34.5	1%	0.006	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	138.4	-175.8	-169.1	0	0	0	0	112	L241 A294 A297 F332	L241-V304 HydrophobicContact CB-CG1 4.41Å; L241-V304 HydrophobicContact CB-CG2 4.32Å; L241-V304 HydrophobicContact CD2-CG1 4.23Å; L241-V304 HydrophobicContact CD2-CG2 4.41Å; L241-V304 HydrophobicContact CG-CG1 4.26Å; L241-V304 WeakPolarHBondContact O-CA 3.41Å; A294-V304 HydrophobicContact CB-CB 4.21Å; A294-V304 HydrophobicContact CB-CG1 3.65Å; A294-V304 WeakPolarHBondContact O-CG2 3.45Å; A297-V304 HydrophobicContact CB-CG2 3.73Å; V304-F332 HydrophobicContact CB-CB 4.2Å; V304-F332 HydrophobicContact CB-CD2 4.45Å; V304-F332 HydrophobicContact CB-CG 4.41Å; V304-F332 PolarHBondContact O-N 2.78Å
305	V	95.8	Very high	83.4	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	128.7	169.2	179.2	0	0	0	0	109.6	L46 L240 L241 A243 A307 I322 T330 F331	L46-V305 HydrophobicContact CD1-CG2 4.01Å; L240-V305 HydrophobicContact CD1-CG2 4.13Å; L241-V305 PolarHBondContact O-N 3.4Å; A243-V305 PolarHBondContact N-O 3.09Å; V305-A307 HydrophobicContact CG1-CB 4.4Å; V305-I322 HydrophobicContact CB-CG2 3.96Å; V305-I322 HydrophobicContact CG1-CD1 3.8Å; V305-I322 HydrophobicContact CG1-CG1 4.07Å; V305-I322 HydrophobicContact CG1-CG2 3.97Å; V305-I322 HydrophobicContact CG2-CG2 3.78Å; V305-T330 WeakPolarHBondContact CA-O 3.47Å; V305-F331 HydrophobicContact CG2-CB 4.28Å; V305-F331 HydrophobicContact CG2-CD2 3.76Å; V305-F331 HydrophobicContact CG2-CG 4.5Å
306	I	93.8	Very high	82	Confident	1 Å²	1	37 Å²	37	1%	0.005	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	124	170	-59.7	178.5	0	0	0	108	A243 V247 K290 A294 G329 T330 F332	A243-I306 HydrophobicContact CB-CG1 4.29Å; V247-I306 HydrophobicContact CG2-CG2 4.27Å; K290-I306 HydrophobicContact CB-CD1 4.18Å; A294-I306 HydrophobicContact CB-CD1 4.14Å; I306-G329 CarbonylContact O-C 3.55Å; I306-G329 VanDerWaalsContact O-CA 3.32Å; I306-G329 WeakPolarHBondContact O-CA 3.5Å; I306-T330 PolarHBondContact N-O 3.42Å; I306-T330 PolarHBondContact O-N 2.89Å; I306-F332 HydrophobicContact CB-CE2 4.34Å; I306-F332 HydrophobicContact CD1-CE2 3.55Å; I306-F332 HydrophobicContact CD1-CZ 3.56Å; I306-F332 HydrophobicContact CG1-CE2 3.71Å; I306-F332 HydrophobicContact CG1-CZ 4.25Å
307	A	92.4	Very high	81.6	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	164.4	-176.1	0	0	0	0	0	113.2	A243 L244 S245 V247 V305 V318 I322 V328	A243-A307 PolarHBondContact O-N 3.5Å; A243-A307 VanDerWaalsContact O-N 3.12Å; L244-A307 WeakPolarHBondContact CA-O 3.35Å; L244-A307 HydrophobicContact CD2-CB 4.12Å; S245-A307 PolarHBondContact N-O 3.46Å; V247-A307 CarbonylContact O-C 3.51Å; V247-A307 VanDerWaalsContact O-C 3.32Å; V305-A307 HydrophobicContact CG1-CB 4.4Å; A307-V318 HydrophobicContact CB-CG2 4.23Å; A307-I322 HydrophobicContact CB-CD1 3.69Å; A307-V328 HydrophobicContact CB-CG1 4.43Å
308	N	90.5	Very high	81.5	Confident	11 Å²	11	38.9 Å²	38.9	6%	0.059	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	121.7	176.9	-156.2	-63.6	0	0	0	111.2	S245 D246 V247 E248 T310 N311	S245-N308 CarbonylContact O-C 3.56Å; S245-N308 WeakPolarHBondContact O-CA 3.3Å; D246-N308 PolarHBondContact O-ND2 3.45Å; V247-N308 WeakPolarHBondContact O-CA 3.39Å; V247-N308 WeakPolarHBondContact O-CB 3.32Å; V247-N308 PolarHBondContact O-N 2.82Å; V247-N308 VanDerWaalsContact O-N 3.09Å; E248-N308 HydrophobicContact CG-CB 4.37Å; N308-T310 VanDerWaalsContact OD1-CA 3.32Å; N308-T310 WeakPolarHBondContact OD1-CA 3.38Å; N308-T310 WeakPolarHBondContact OD1-CB 3.11Å; N308-T310 PolarHBondContact OD1-N 2.74Å; N308-T310 PolarHBondContact OD1-OG1 3.15Å; N308-N311 PolarHBondContact OD1-N 2.75Å
309	G	87.4	Confident	81.6	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	22%	0.224	C	C	.	.	S	Bend	trans	-97.9	-1	171.7	0	0	0	0	0	114.2	R73 S245 T315	R73-G309 WeakPolarHBondContact CD-O 3.47Å; R73-G309 VanDerWaalsContact CG-O 3.28Å; R73-G309 WeakPolarHBondContact CG-O 3.19Å; S245-G309 PolarHBondContact O-N 2.93Å; G309-T315 VanDerWaalsContact C-CG2 3.48Å; G309-T315 VanDerWaalsContact O-CG2 3.32Å; G309-T315 WeakPolarHBondContact O-CG2 3.33Å
310	T	84.6	Confident	81.7	Confident	29 Å²	29	32.3 Å²	32.3	18%	0.178	19%	0.194	C	C	.	.	S	Bend	trans	-104.8	-29.2	-171.3	66.3	0	0	0	0	115.5	V60 R73 D246 N308 P312	V60-T310 HydrophobicContact CG2-CG2 4.2Å; R73-T310 PolarHBondContact NH2-O 2.62Å; D246-T310 HydrophobicContact CB-CG2 4.2Å; N308-T310 VanDerWaalsContact OD1-CA 3.32Å; N308-T310 WeakPolarHBondContact OD1-CA 3.38Å; N308-T310 WeakPolarHBondContact OD1-CB 3.11Å; N308-T310 PolarHBondContact OD1-N 2.74Å; N308-T310 PolarHBondContact OD1-OG1 3.15Å; T310-P312 WeakPolarHBondContact O-CD 3.45Å
311	N	73.2	Confident	81.8	Confident	44 Å²	44	32 Å²	32	24%	0.235	19%	0.185	C	C	.	.			trans	-79.3	113.1	-170.2	-177.4	-13.4	0	0	0	112.9	N308 K313 V314 T315	N308-N311 PolarHBondContact OD1-N 2.75Å; N311-K313 PolarHBondContact O-N 3.24Å; N311-K313 PolarHBondContact OD1-N 3.08Å; N311-K313 VanDerWaalsContact OD1-N 3.08Å; N311-V314 HydrophobicContact CB-CB 4.23Å; N311-V314 HydrophobicContact CB-CG2 4.26Å; N311-V314 CarbonylContact O-C 3.52Å; N311-V314 PolarHBondContact O-N 3.38Å; N311-T315 WeakPolarHBondContact O-CB 3.43Å; N311-T315 WeakPolarHBondContact O-CG2 3.36Å; N311-T315 PolarHBondContact O-N 2.81Å; N311-T315 PolarHBondContact O-OG1 3.48Å
312	P	58.2	Low	82	Confident	109 Å²	109	31.1 Å²	31.1	71%	0.708	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.2	-31.6	-178.4	-26.5	35.1	0	0	0	115.3	T310 V314 T315	T310-P312 WeakPolarHBondContact O-CD 3.45Å; P312-V314 VanDerWaalsContact C-N 3.33Å; P312-T315 WeakPolarHBondContact CA-OG1 3.43Å; P312-T315 PolarHBondContact O-OG1 2.9Å
313	K	54.9	Low	82	Confident	201 Å²	201	31.2 Å²	31.2	87%	0.874	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-19.1	179.7	-67.5	-175.1	177.6	-179.1	0	113.3	N311	N311-K313 PolarHBondContact O-N 3.24Å; N311-K313 PolarHBondContact OD1-N 3.08Å; N311-K313 VanDerWaalsContact OD1-N 3.08Å
314	V	53.7	Low	81.7	Confident	47 Å²	47	35 Å²	35	29%	0.285	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.5	-21.3	179.8	-178.4	0	0	0	0	111.2	N311 P312 V328	N311-V314 HydrophobicContact CB-CB 4.23Å; N311-V314 HydrophobicContact CB-CG2 4.26Å; N311-V314 CarbonylContact O-C 3.52Å; N311-V314 PolarHBondContact O-N 3.38Å; P312-V314 VanDerWaalsContact C-N 3.33Å; V314-V328 HydrophobicContact CG1-CG1 3.95Å
315	T	49.3	Very low	81.3	Confident	22 Å²	22	35.2 Å²	35.2	14%	0.135	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-6.1	-167.7	51.5	0	0	0	0	116.5	S76 G309 N311 P312 Q317	S76-T315 PolarHBondContact OG-O 3.39Å; G309-T315 VanDerWaalsContact C-CG2 3.48Å; G309-T315 VanDerWaalsContact O-CG2 3.32Å; G309-T315 WeakPolarHBondContact O-CG2 3.33Å; N311-T315 WeakPolarHBondContact O-CB 3.43Å; N311-T315 WeakPolarHBondContact O-CG2 3.36Å; N311-T315 PolarHBondContact O-N 2.81Å; N311-T315 PolarHBondContact O-OG1 3.48Å; P312-T315 WeakPolarHBondContact CA-OG1 3.43Å; P312-T315 PolarHBondContact O-OG1 2.9Å; T315-Q317 PolarHBondContact O-N 3.09Å
316	G	62.1	Low	80.8	Confident	51 Å²	51	37 Å²	37	53%	0.526	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-37.7	-179.3	0	0	0	0	0	112.6	Q80	Q80-G316 PolarHBondContact NE2-O 2.83Å
317	Q	81.1	Confident	80.4	Confident	99 Å²	99	39.1 Å²	39.1	46%	0.463	21%	0.213	S	C	.	.	S	Bend	trans	-149.1	31.5	-173.2	-73.8	-164.6	3.4	0	0	113.7	Q80 T315 I319 T320 D321	Q80-Q317 PolarHBondContact OE1-O 3.38Å; T315-Q317 PolarHBondContact O-N 3.09Å; Q317-I319 PolarHBondContact O-N 2.83Å; Q317-T320 VanDerWaalsContact CB-OG1 3.28Å; Q317-T320 WeakPolarHBondContact CB-OG1 3.34Å; Q317-T320 PolarHBondContact O-N 2.95Å; Q317-T320 PolarHBondContact O-OG1 2.81Å; Q317-D321 WeakPolarHBondContact O-CB 3.23Å; Q317-D321 PolarHBondContact O-N 2.77Å
318	V	90.3	Very high	80.2	Confident	1 Å²	1	40.1 Å²	40.1	1%	0.006	22%	0.219	C	C	.	.	H	α-helix	trans	-51.7	-45.3	-173.4	63.8	0	0	0	0	114.8	Q80 L244 A307 I322 V328	Q80-V318 VanDerWaalsContact OE1-N 3.09Å; L244-V318 HydrophobicContact CD1-CG1 4.2Å; L244-V318 HydrophobicContact CD2-CG1 4.25Å; L244-V318 HydrophobicContact CD2-CG2 3.88Å; A307-V318 HydrophobicContact CB-CG2 4.23Å; V318-I322 HydrophobicContact CG2-CD1 3.98Å; V318-I322 WeakPolarHBondContact O-CB 3.4Å; V318-I322 VanDerWaalsContact O-CD1 3.3Å; V318-I322 WeakPolarHBondContact O-CD1 3.32Å; V318-I322 WeakPolarHBondContact O-CG1 3.43Å; V318-I322 PolarHBondContact O-N 3.42Å; V318-I322 VanDerWaalsContact O-N 3.1Å; V318-V328 HydrophobicContact CG2-CG1 3.78Å
319	I	93.6	Very high	80.2	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-71.2	-48.1	-177.8	-60.2	175.5	0	0	0	109.8	V54 I77 Q80 V81 L84 I242 L244 Q317 D321 I322 V323	V54-I319 HydrophobicContact CG1-CD1 3.78Å; V54-I319 HydrophobicContact CG1-CG1 4.46Å; V54-I319 HydrophobicContact CG2-CD1 4.28Å; V54-I319 HydrophobicContact CG2-CG2 4.33Å; I77-I319 HydrophobicContact CG2-CD1 3.92Å; Q80-I319 HydrophobicContact CB-CB 4.17Å; Q80-I319 HydrophobicContact CB-CD1 4.42Å; V81-I319 HydrophobicContact CG2-CD1 3.79Å; L84-I319 HydrophobicContact CD1-CG2 3.63Å; I242-I319 HydrophobicContact CD1-CG2 3.85Å; L244-I319 HydrophobicContact CD1-CD1 4.19Å; L244-I319 HydrophobicContact CD1-CG1 4.06Å; Q317-I319 PolarHBondContact O-N 2.83Å; I319-D321 VanDerWaalsContact C-N 3.34Å; I319-D321 PolarHBondContact O-N 3.38Å; I319-I322 PolarHBondContact O-N 3.31Å; I319-V323 WeakPolarHBondContact O-CG2 3.46Å; I319-V323 PolarHBondContact O-N 2.82Å
320	T	92.2	Very high	80.4	Confident	9 Å²	9	39.8 Å²	39.8	6%	0.055	22%	0.219	C	C	.	.	H	α-helix	trans	-64.1	-40.5	179.1	41.9	0	0	0	0	111.3	Q80 L84 Q317 I322 V323 E324	Q80-T320 HydrophobicContact CB-CG2 4.2Å; Q80-T320 HydrophobicContact CG-CG2 4.24Å; L84-T320 HydrophobicContact CD1-CG2 4.38Å; L84-T320 HydrophobicContact CD2-CG2 4.32Å; L84-T320 HydrophobicContact CG-CG2 4.19Å; Q317-T320 VanDerWaalsContact CB-OG1 3.28Å; Q317-T320 WeakPolarHBondContact CB-OG1 3.34Å; Q317-T320 PolarHBondContact O-N 2.95Å; Q317-T320 PolarHBondContact O-OG1 2.81Å; T320-I322 PolarHBondContact O-N 3.12Å; T320-V323 PolarHBondContact O-N 2.93Å; T320-E324 WeakPolarHBondContact O-CB 3.3Å; T320-E324 VanDerWaalsContact O-CG 3.31Å; T320-E324 WeakPolarHBondContact O-CG 3.21Å; T320-E324 PolarHBondContact O-N 2.8Å
321	D	90.7	Very high	80.8	Confident	27 Å²	27	38.4 Å²	38.4	14%	0.144	21%	0.21	C	C	.	.	H	α-helix	trans	-61.4	-43.6	176.4	-74.7	-18.9	0	0	0	111.8	Q317 I319 E324 G325 K326 V328	Q317-D321 WeakPolarHBondContact O-CB 3.23Å; Q317-D321 PolarHBondContact O-N 2.77Å; I319-D321 VanDerWaalsContact C-N 3.34Å; I319-D321 PolarHBondContact O-N 3.38Å; D321-E324 CarbonylContact O-C 3.5Å; D321-E324 PolarHBondContact O-N 2.89Å; D321-G325 PolarHBondContact O-N 2.88Å; D321-K326 HydrophobicContact CB-CB 4.23Å; D321-K326 HydrophobicContact CB-CD 3.86Å; D321-K326 HydrophobicContact CB-CG 4.5Å; D321-K326 WeakPolarHBondContact O-CB 3.44Å; D321-K326 PolarHBondContact O-N 2.98Å; D321-K326 WeakPolarHBondContact OD1-CD 3.5Å; D321-K326 IonicContact OD1-NZ 3.64Å; D321-K326 PolarHBondContact OD1-NZ 3.13Å; D321-V328 HydrophobicContact CB-CG2 3.83Å
322	I	93.4	Very high	81.7	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-62.6	-46.3	175.2	-71.2	165.8	0	0	0	110.9	L46 L240 I242 V305 A307 V318 I319 T320 E324 G325 V328	L46-I322 HydrophobicContact CD1-CG2 4.19Å; L46-I322 WeakPolarHBondContact CD1-O 3.45Å; L240-I322 HydrophobicContact CD2-CG2 4.42Å; I242-I322 HydrophobicContact CD1-CB 4.33Å; I242-I322 HydrophobicContact CD1-CG2 3.93Å; I242-I322 HydrophobicContact CG1-CG2 4.1Å; I242-I322 HydrophobicContact CG2-CD1 3.78Å; V305-I322 HydrophobicContact CB-CG2 3.96Å; V305-I322 HydrophobicContact CG1-CD1 3.8Å; V305-I322 HydrophobicContact CG1-CG1 4.07Å; V305-I322 HydrophobicContact CG1-CG2 3.97Å; V305-I322 HydrophobicContact CG2-CG2 3.78Å; A307-I322 HydrophobicContact CB-CD1 3.69Å; V318-I322 HydrophobicContact CG2-CD1 3.98Å; V318-I322 WeakPolarHBondContact O-CB 3.4Å; V318-I322 VanDerWaalsContact O-CD1 3.3Å; V318-I322 WeakPolarHBondContact O-CD1 3.32Å; V318-I322 WeakPolarHBondContact O-CG1 3.43Å; V318-I322 PolarHBondContact O-N 3.42Å; V318-I322 VanDerWaalsContact O-N 3.1Å; I319-I322 PolarHBondContact O-N 3.31Å; T320-I322 PolarHBondContact O-N 3.12Å; I322-E324 VanDerWaalsContact C-N 3.28Å; I322-E324 PolarHBondContact O-N 2.88Å; I322-G325 WeakPolarHBondContact O-CA 3.39Å; I322-G325 PolarHBondContact O-N 3.32Å; I322-V328 HydrophobicContact CD1-CG1 4.39Å; I322-V328 HydrophobicContact CG1-CB 3.94Å; I322-V328 HydrophobicContact CG1-CG1 4.17Å
323	V	93.3	Very high	83.1	Confident	3 Å²	3	31.2 Å²	31.2	2%	0.018	17%	0.166	C	C	.	.	H	α-helix	trans	-64.9	-34.6	178	173.7	0	0	0	0	111.1	L46 R47 I52 L84 L240 I242 I319 T320 G325	L46-V323 CarbonylContact C-O 3.55Å; R47-V323 WeakPolarHBondContact CA-O 3.24Å; R47-V323 VanDerWaalsContact CG-O 3.28Å; R47-V323 WeakPolarHBondContact CG-O 3.31Å; R47-V323 PolarHBondContact N-O 2.97Å; I52-V323 HydrophobicContact CD1-CG1 4.5Å; I52-V323 HydrophobicContact CD1-CG2 3.74Å; L84-V323 HydrophobicContact CD1-CG2 4Å; L84-V323 HydrophobicContact CD2-CG1 4.18Å; L240-V323 HydrophobicContact CD2-CG2 4.17Å; I242-V323 HydrophobicContact CD1-CG2 4.19Å; I319-V323 WeakPolarHBondContact O-CG2 3.46Å; I319-V323 PolarHBondContact O-N 2.82Å; T320-V323 PolarHBondContact O-N 2.93Å; V323-G325 PolarHBondContact O-N 3.29Å
324	E	88.9	Confident	84.5	Confident	80 Å²	80	26.3 Å²	26.3	37%	0.374	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-6.3	172.5	-75	-177.9	172.8	0	0	113.5	R47 T320 D321 I322 K326	R47-E324 VanDerWaalsContact CZ-O 3.32Å; R47-E324 PolarHBondContact NE-O 3.36Å; R47-E324 PolarHBondContact NH2-O 2.79Å; T320-E324 WeakPolarHBondContact O-CB 3.3Å; T320-E324 VanDerWaalsContact O-CG 3.31Å; T320-E324 WeakPolarHBondContact O-CG 3.21Å; T320-E324 PolarHBondContact O-N 2.8Å; D321-E324 CarbonylContact O-C 3.5Å; D321-E324 PolarHBondContact O-N 2.89Å; I322-E324 VanDerWaalsContact C-N 3.28Å; I322-E324 PolarHBondContact O-N 2.88Å; E324-K326 HydrophobicContact CB-CG 4.45Å; E324-K326 WeakPolarHBondContact OE2-CE 3.38Å; E324-K326 IonicContact OE2-NZ 2.74Å; E324-K326 PolarHBondContact OE2-NZ 3.14Å
325	G	87.4	Confident	85.8	Confident	5 Å²	5	27.4 Å²	27.4	5%	0.052	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	85	8.5	177.2	0	0	0	0	0	114.5	R43 D321 I322 V323	R43-G325 WeakPolarHBondContact CD-O 3.42Å; R43-G325 WeakPolarHBondContact CG-O 3.36Å; D321-G325 PolarHBondContact O-N 2.88Å; I322-G325 WeakPolarHBondContact O-CA 3.39Å; I322-G325 PolarHBondContact O-N 3.32Å; V323-G325 PolarHBondContact O-N 3.29Å
326	K	85.6	Confident	87.1	Confident	37 Å²	37	31.8 Å²	31.8	16%	0.161	17%	0.17	C	C	.	.			trans	-66.4	153.2	177.8	-61.7	178	-173.6	151.6	0	111.2	R43 D321 E324 V328	R43-K326 PolarHBondContact NE-O 3.45Å; R43-K326 PolarHBondContact NH2-O 3.17Å; D321-K326 HydrophobicContact CB-CB 4.23Å; D321-K326 HydrophobicContact CB-CD 3.86Å; D321-K326 HydrophobicContact CB-CG 4.5Å; D321-K326 WeakPolarHBondContact O-CB 3.44Å; D321-K326 PolarHBondContact O-N 2.98Å; D321-K326 WeakPolarHBondContact OD1-CD 3.5Å; D321-K326 IonicContact OD1-NZ 3.64Å; D321-K326 PolarHBondContact OD1-NZ 3.13Å; E324-K326 HydrophobicContact CB-CG 4.45Å; E324-K326 WeakPolarHBondContact OE2-CE 3.38Å; E324-K326 IonicContact OE2-NZ 2.74Å; E324-K326 PolarHBondContact OE2-NZ 3.14Å; K326-V328 HydrophobicContact CB-CG2 4.31Å; K326-V328 PolarHBondContact O-N 3.17Å
327	K	85.4	Confident	87.3	Confident	46 Å²	46	32 Å²	32	20%	0.2	16%	0.161	C	C	.	.	S	Bend	trans	-71.1	60.9	-179.8	-67.9	-179.1	176.4	-172.9	0	114.4	R43 D264 E343 E524 D528	R43-K327 VanDerWaalsContact CZ-CA 3.5Å; D264-K327 WeakPolarHBondContact OD2-CD 3.47Å; D264-K327 IonicContact OD2-NZ 3.42Å; K327-E343 IonicContact NZ-OE1 3.35Å; K327-E524 WeakPolarHBondContact CE-OE2 3.49Å; K327-E524 IonicContact NZ-OE1 3.6Å; K327-E524 IonicContact NZ-OE2 2.64Å; K327-E524 PolarHBondContact NZ-OE2 3.43Å; K327-D528 HydrophobicContact CD-CB 4.16Å; K327-D528 WeakPolarHBondContact CD-OD2 3.47Å; K327-D528 WeakPolarHBondContact CE-OD2 3.22Å
328	V	88.5	Confident	86.5	Confident	21 Å²	21	30.9 Å²	30.9	13%	0.127	17%	0.169	C	C	.	.			trans	-109.1	103.7	179	-178.3	0	0	0	0	111.8	R43 A307 V314 V318 D321 I322 K326	R43-V328 PolarHBondContact NH2-O 2.64Å; A307-V328 HydrophobicContact CB-CG1 4.43Å; V314-V328 HydrophobicContact CG1-CG1 3.95Å; V318-V328 HydrophobicContact CG2-CG1 3.78Å; D321-V328 HydrophobicContact CB-CG2 3.83Å; I322-V328 HydrophobicContact CD1-CG1 4.39Å; I322-V328 HydrophobicContact CG1-CB 3.94Å; I322-V328 HydrophobicContact CG1-CG1 4.17Å; K326-V328 HydrophobicContact CB-CG2 4.31Å; K326-V328 PolarHBondContact O-N 3.17Å
329	G	89.9	Confident	85.4	Confident	5 Å²	5	33.3 Å²	33.3	5%	0.052	20%	0.195	C	C	.	.	S	Bend	trans	71.4	-172.5	-173.5	0	0	0	0	0	113.4	R43 E248 I306	R43-G329 PolarHBondContact NH1-O 3.36Å; R43-G329 PolarHBondContact NH2-O 2.99Å; E248-G329 VanDerWaalsContact O-CA 3.27Å; E248-G329 WeakPolarHBondContact O-CA 3.44Å; I306-G329 CarbonylContact O-C 3.55Å; I306-G329 VanDerWaalsContact O-CA 3.32Å; I306-G329 WeakPolarHBondContact O-CA 3.5Å
330	T	92.1	Very high	84.5	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	122.8	-172	-52.5	0	0	0	0	112.3	L250 L263 F266 V305 I306 F332	L250-T330 HydrophobicContact CB-CG2 4.1Å; L250-T330 HydrophobicContact CD1-CG2 3.82Å; L250-T330 HydrophobicContact CG-CG2 4.38Å; L250-T330 PolarHBondContact N-OG1 3.24Å; L263-T330 HydrophobicContact CB-CG2 4.38Å; L263-T330 WeakPolarHBondContact O-CA 3.38Å; L263-T330 WeakPolarHBondContact O-CB 3.34Å; L263-T330 VanDerWaalsContact O-CG2 3.24Å; L263-T330 WeakPolarHBondContact O-CG2 3.47Å; L263-T330 PolarHBondContact O-OG1 3.38Å; F266-T330 HydrophobicContact CB-CG2 3.69Å; V305-T330 WeakPolarHBondContact CA-O 3.47Å; I306-T330 PolarHBondContact N-O 3.42Å; I306-T330 PolarHBondContact O-N 2.89Å; T330-F332 HydrophobicContact CG2-CE2 4.26Å
331	F	93.3	Very high	83.8	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	127.9	174.4	174.6	-122	0	0	0	111.8	F40 R43 L46 D264 I265 F266 V305	F40-F331 HydrophobicContact CB-CZ 4.26Å; F40-F331 VanDerWaalsContact O-CZ 3.24Å; F40-F331 WeakPolarHBondContact O-CZ 3.48Å; R43-F331 HydrophobicContact CB-CD1 4.3Å; R43-F331 HydrophobicContact CG-CB 4.48Å; R43-F331 HydrophobicContact CG-CG 4.44Å; L46-F331 HydrophobicContact CD1-CD2 4.25Å; L46-F331 HydrophobicContact CD1-CE2 4.38Å; L46-F331 HydrophobicContact CD2-CD2 4.46Å; L46-F331 HydrophobicContact CD2-CE2 3.84Å; L46-F331 HydrophobicContact CD2-CZ 4.44Å; L46-F331 HydrophobicContact CG-CE2 4.39Å; D264-F331 WeakPolarHBondContact O-CB 3.36Å; D264-F331 PolarHBondContact O-N 2.83Å; I265-F331 CarbonylContact C-O 3.55Å; I265-F331 VanDerWaalsContact CA-O 3.24Å; I265-F331 WeakPolarHBondContact CA-O 3.32Å; I265-F331 HydrophobicContact CG1-CD1 4.34Å; I265-F331 HydrophobicContact CG2-CD1 4.46Å; F266-F331 PolarHBondContact N-O 2.87Å; V305-F331 HydrophobicContact CG2-CB 4.28Å; V305-F331 HydrophobicContact CG2-CD2 3.76Å; V305-F331 HydrophobicContact CG2-CG 4.5Å
332	F	92	Very high	83.4	Confident	0 Å²	0	36 Å²	36	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	123.1	179.1	-73.3	-116.3	0	0	0	109.5	L250 F266 V291 A294 L295 L298 V304 I306 T330	L250-F332 HydrophobicContact CD1-CE1 4.17Å; L250-F332 HydrophobicContact CD1-CE2 3.92Å; L250-F332 HydrophobicContact CD1-CZ 3.43Å; L250-F332 VanDerWaalsContact CD1-CZ 3.43Å; F266-F332 AromaticContact CD1-CD1 3.54Å; F266-F332 HydrophobicContact CD1-CD1 3.54Å; F266-F332 AromaticContact CD1-CE1 3.42Å; F266-F332 HydrophobicContact CD1-CE1 3.42Å; F266-F332 VanDerWaalsContact CD1-CE1 3.42Å; F266-F332 HydrophobicContact CD1-CG 4.34Å; F266-F332 HydrophobicContact CD1-CZ 4.16Å; F266-F332 HydrophobicContact CE1-CD1 4.22Å; F266-F332 AromaticContact CE1-CE1 3.95Å; F266-F332 HydrophobicContact CE1-CE1 3.95Å; F266-F332 HydrophobicContact CG-CE1 4.39Å; V291-F332 HydrophobicContact CG1-CE1 4.3Å; V291-F332 HydrophobicContact CG2-CZ 4.39Å; A294-F332 HydrophobicContact CB-CD1 3.9Å; A294-F332 HydrophobicContact CB-CD2 4.35Å; A294-F332 HydrophobicContact CB-CE1 3.65Å; A294-F332 HydrophobicContact CB-CE2 4.14Å; A294-F332 HydrophobicContact CB-CG 4.26Å; A294-F332 HydrophobicContact CB-CZ 3.78Å; L295-F332 HydrophobicContact CD2-CD1 4.34Å; L295-F332 HydrophobicContact CG-CE1 4.49Å; L298-F332 HydrophobicContact CD2-CB 4.26Å; V304-F332 HydrophobicContact CB-CB 4.2Å; V304-F332 HydrophobicContact CB-CD2 4.45Å; V304-F332 HydrophobicContact CB-CG 4.41Å; V304-F332 PolarHBondContact O-N 2.78Å; I306-F332 HydrophobicContact CB-CE2 4.34Å; I306-F332 HydrophobicContact CD1-CE2 3.55Å; I306-F332 HydrophobicContact CD1-CZ 3.56Å; I306-F332 HydrophobicContact CG1-CE2 3.71Å; I306-F332 HydrophobicContact CG1-CZ 4.25Å; T330-F332 HydrophobicContact CG2-CE2 4.26Å
333	S	87.8	Confident	82.9	Confident	1 Å²	1	38.8 Å²	38.8	1%	0.007	23%	0.228	C	C	.	.			trans	-130.9	140.5	-178.4	-176.4	0	0	0	0	112	A41 F266 P268 V335	A41-S333 PolarHBondContact O-OG 2.98Å; F266-S333 PolarHBondContact O-N 2.82Å; P268-S333 WeakPolarHBondContact CD-O 3.41Å; S333-V335 PolarHBondContact O-N 2.91Å; S333-V335 PolarHBondContact OG-N 2.69Å; S333-V335 VanDerWaalsContact OG-N 3.15Å; S333-V335 PolarHBondContact OG-O 3.26Å
334	E	84.8	Confident	82.5	Confident	99 Å²	99	43.6 Å²	43.6	46%	0.463	25%	0.25	S	S	.	.	S	Bend	trans	-76.2	-8.4	171.5	-62.7	-175	129.5	0	0	112.8	S39 Y267 L298	S39-E334 PolarHBondContact OG-OE2 2.82Å; Y267-E334 VanDerWaalsContact CE2-O 3.29Å; Y267-E334 WeakPolarHBondContact CE2-O 3.35Å; L298-E334 HydrophobicContact CD1-CG 4.06Å; L298-E334 HydrophobicContact CD2-CG 3.86Å; L298-E334 HydrophobicContact CG-CG 3.76Å
335	V	81.3	Confident	82.5	Confident	69 Å²	69	40.4 Å²	40.4	42%	0.418	24%	0.235	S	C	.	.	S	Bend	trans	-105.5	118.6	179.1	-178.6	0	0	0	0	108.6	A41 S333	A41-V335 HydrophobicContact CB-CB 4.22Å; A41-V335 HydrophobicContact CB-CG2 3.67Å; S333-V335 PolarHBondContact O-N 2.91Å; S333-V335 PolarHBondContact OG-N 2.69Å; S333-V335 VanDerWaalsContact OG-N 3.15Å; S333-V335 PolarHBondContact OG-O 3.26Å
336	K	74.9	Confident	82.5	Confident	115 Å²	115	40.2 Å²	40.2	50%	0.5	23%	0.233	S	C	.	.			trans	-61.1	128.5	170.8	-169.3	165	-174.9	146.5	0	108.6	Y267 D270 A338	Y267-K336 HydrophobicContact CD1-CB 3.91Å; Y267-K336 HydrophobicContact CD1-CD 3.96Å; Y267-K336 HydrophobicContact CD1-CG 3.99Å; Y267-K336 HydrophobicContact CD2-CB 4.09Å; Y267-K336 HydrophobicContact CE1-CB 4.03Å; Y267-K336 HydrophobicContact CE1-CD 4.11Å; Y267-K336 HydrophobicContact CE1-CG 4.4Å; Y267-K336 HydrophobicContact CE2-CB 4.25Å; Y267-K336 HydrophobicContact CG-CB 3.93Å; Y267-K336 HydrophobicContact CG-CG 4.25Å; D270-K336 IonicContact OD1-NZ 2.69Å; D270-K336 PolarHBondContact OD1-NZ 2.92Å; D270-K336 IonicContact OD2-NZ 2.9Å; K336-A338 PolarHBondContact O-N 2.78Å
337	P	67.8	Low	82.7	Confident	54 Å²	54	42.9 Å²	42.9	35%	0.351	25%	0.246	S	C	.	.			trans	-51.2	135	173.3	-25.3	33.7	0	0	0	110.4	I265 G339	I265-P337 HydrophobicContact CB-CG 4.37Å; I265-P337 HydrophobicContact CD1-CG 4.4Å; I265-P337 HydrophobicContact CG2-CG 4.05Å; P337-G339 PolarHBondContact O-N 3.17Å; P337-G339 VanDerWaalsContact O-N 3.16Å
338	A	63	Low	83	Confident	76 Å²	76	43.2 Å²	43.2	63%	0.628	25%	0.249	S	C	*	.	S	Bend	trans	-76.8	104.3	179.3	0	0	0	0	0	109.3	K336 N521	K336-A338 PolarHBondContact O-N 2.78Å; A338-N521 PolarHBondContact O-ND2 2.81Å; A338-N521 VanDerWaalsContact O-ND2 3.08Å
339	G	68.5	Low	83.2	Confident	52 Å²	52	42.2 Å²	42.2	54%	0.536	24%	0.243	S	C	.	.	S	Bend	trans	87.3	-176.7	177.7	0	0	0	0	0	114	P337	P337-G339 PolarHBondContact O-N 3.17Å; P337-G339 VanDerWaalsContact O-N 3.16Å
340	P	73.4	Confident	83.4	Confident	48 Å²	48	45.7 Å²	45.7	31%	0.312	25%	0.254	S	S	.	.	S	Bend	trans	-61.9	150.5	176.8	25.2	-32.9	0	0	0	111.5	E344 Q345 M348	P340-E344 VanDerWaalsContact CA-OE2 3.32Å; P340-E344 WeakPolarHBondContact CA-OE2 3.49Å; P340-E344 HydrophobicContact CB-CB 3.82Å; P340-Q345 HydrophobicContact CB-CG 4.11Å; P340-Q345 HydrophobicContact CG-CG 3.65Å; P340-M348 HydrophobicContact CB-SD 4.49Å; P340-M348 HydrophobicContact CG-SD 4.44Å
341	S	78.4	Confident	83.5	Confident	43 Å²	43	49.1 Å²	49.1	30%	0.301	27%	0.273	S	S	.	.			trans	-59.2	161.5	167.6	59.7	0	0	0	0	111.2	E343 E344 Q345	S341-E343 PolarHBondContact O-N 3.06Å; S341-E344 PolarHBondContact N-OE2 3.16Å; S341-E344 PolarHBondContact O-N 3.19Å; S341-E344 WeakPolarHBondContact OG-CB 3.23Å; S341-E344 WeakPolarHBondContact OG-CG 3.12Å; S341-E344 PolarHBondContact OG-N 3.12Å; S341-E344 PolarHBondContact OG-OE2 3.25Å; S341-Q345 WeakPolarHBondContact O-CG 3.41Å; S341-Q345 PolarHBondContact O-N 2.92Å
342	V	82.7	Confident	83.5	Confident	2 Å²	2	49.4 Å²	49.4	1%	0.012	28%	0.275	C	S	.	.	H	α-helix	trans	-59.5	-38.8	176.3	165.5	0	0	0	0	111.4	Q345 T346 V520 E524 L529 L532	V342-Q345 PolarHBondContact O-N 2.8Å; V342-T346 WeakPolarHBondContact O-CB 3.26Å; V342-T346 PolarHBondContact O-N 3.39Å; V342-T346 PolarHBondContact O-OG1 2.83Å; V342-V520 HydrophobicContact CG2-CG1 3.82Å; V342-E524 HydrophobicContact CG2-CB 4.21Å; V342-E524 HydrophobicContact CG2-CG 3.44Å; V342-E524 VanDerWaalsContact CG2-CG 3.44Å; V342-L529 HydrophobicContact CB-CD2 4.35Å; V342-L529 HydrophobicContact CG1-CD2 3.42Å; V342-L529 VanDerWaalsContact CG1-CD2 3.42Å; V342-L529 HydrophobicContact CG2-CD2 4Å; V342-L532 HydrophobicContact CG1-CD1 3.4Å; V342-L532 VanDerWaalsContact CG1-CD1 3.4Å
343	E	82.3	Confident	83.4	Confident	58 Å²	58	49.7 Å²	49.7	27%	0.271	28%	0.278	S	S	.	.	H	α-helix	trans	-63.4	-44.8	179.9	-65.7	71.8	-160.8	0	0	110.1	K327 S341 T346 E347 L532	K327-E343 IonicContact NZ-OE1 3.35Å; S341-E343 PolarHBondContact O-N 3.06Å; E343-T346 PolarHBondContact O-N 3.42Å; E343-E347 WeakPolarHBondContact O-CB 3.42Å; E343-E347 PolarHBondContact O-N 2.88Å; E343-L532 HydrophobicContact CG-CD2 4.32Å
344	E	83.8	Confident	83.7	Confident	105 Å²	105	57.1 Å²	57.1	49%	0.491	31%	0.306	S	S	.	.	H	α-helix	trans	-64.2	-45.3	173.2	-73.2	165	155.8	0	0	111.8	P340 S341 T346 E347 M348	P340-E344 VanDerWaalsContact CA-OE2 3.32Å; P340-E344 WeakPolarHBondContact CA-OE2 3.49Å; P340-E344 HydrophobicContact CB-CB 3.82Å; S341-E344 PolarHBondContact N-OE2 3.16Å; S341-E344 PolarHBondContact O-N 3.19Å; S341-E344 WeakPolarHBondContact OG-CB 3.23Å; S341-E344 WeakPolarHBondContact OG-CG 3.12Å; S341-E344 PolarHBondContact OG-N 3.12Å; S341-E344 PolarHBondContact OG-OE2 3.25Å; E344-T346 VanDerWaalsContact C-N 3.26Å; E344-T346 PolarHBondContact O-N 2.83Å; E344-E347 PolarHBondContact O-N 2.88Å; E344-M348 WeakPolarHBondContact O-CB 3.24Å; E344-M348 VanDerWaalsContact O-CG 3.23Å; E344-M348 WeakPolarHBondContact O-CG 3.23Å; E344-M348 PolarHBondContact O-N 2.92Å
345	Q	88.8	Confident	84	Confident	12 Å²	12	56.5 Å²	56.5	6%	0.056	31%	0.305	C	S	.	.	H	α-helix	trans	-57.4	-42.1	175.4	-73.2	-175.5	-36.1	0	0	111.4	P340 S341 V342 A349 Q518 M519	P340-Q345 HydrophobicContact CB-CG 4.11Å; P340-Q345 HydrophobicContact CG-CG 3.65Å; S341-Q345 WeakPolarHBondContact O-CG 3.41Å; S341-Q345 PolarHBondContact O-N 2.92Å; V342-Q345 PolarHBondContact O-N 2.8Å; Q345-A349 VanDerWaalsContact O-CB 3.25Å; Q345-A349 WeakPolarHBondContact O-CB 3.47Å; Q345-A349 PolarHBondContact O-N 2.79Å; Q345-Q518 HydrophobicContact CB-CB 4.3Å; Q345-Q518 HydrophobicContact CB-CG 4.31Å; Q345-M519 PolarHBondContact NE2-O 3.28Å
346	T	89.2	Confident	84.5	Confident	1 Å²	1	53.2 Å²	53.2	1%	0.006	29%	0.285	C	S	.	.	H	α-helix	trans	-66.5	-41.3	179	-54.2	0	0	0	0	111.2	V342 E343 E344 A349 R350 V459 L486 T535 I536	V342-T346 WeakPolarHBondContact O-CB 3.26Å; V342-T346 PolarHBondContact O-N 3.39Å; V342-T346 PolarHBondContact O-OG1 2.83Å; E343-T346 PolarHBondContact O-N 3.42Å; E344-T346 VanDerWaalsContact C-N 3.26Å; E344-T346 PolarHBondContact O-N 2.83Å; T346-A349 PolarHBondContact O-N 3.44Å; T346-R350 VanDerWaalsContact O-CB 3.28Å; T346-R350 WeakPolarHBondContact O-CB 3.41Å; T346-R350 PolarHBondContact O-N 2.95Å; T346-V459 HydrophobicContact CG2-CG1 4.38Å; T346-L486 HydrophobicContact CG2-CD1 3.97Å; T346-L486 VanDerWaalsContact OG1-CD1 3.3Å; T346-L486 WeakPolarHBondContact OG1-CD1 3.19Å; T346-T535 HydrophobicContact CG2-CG2 4.38Å; T346-I536 HydrophobicContact CG2-CG1 4.29Å
347	E	89.1	Confident	85.2	Confident	94 Å²	94	49.3 Å²	49.3	44%	0.439	27%	0.274	S	S	.	.	H	α-helix	trans	-65.9	-45.4	177.3	-170.7	168.8	170	0	0	112	K261 E343 E344 A349 R350 N351	K261-E347 IonicContact NZ-OE2 3.58Å; K261-E347 PolarHBondContact NZ-OE2 3.16Å; E343-E347 WeakPolarHBondContact O-CB 3.42Å; E343-E347 PolarHBondContact O-N 2.88Å; E344-E347 PolarHBondContact O-N 2.88Å; E347-A349 PolarHBondContact O-N 2.82Å; E347-R350 PolarHBondContact O-N 2.84Å; E347-N351 WeakPolarHBondContact O-CB 3.31Å; E347-N351 VanDerWaalsContact O-CG 3.32Å; E347-N351 PolarHBondContact O-N 3.48Å; E347-N351 PolarHBondContact O-ND2 3.06Å
348	M	91.1	Very high	86.2	Confident	53 Å²	53	50.7 Å²	50.7	26%	0.261	29%	0.285	S	S	.	.	H	α-helix	trans	-56.7	-49.1	172.3	-69.9	169.4	74.2	0	0	111.1	P340 E344 R350 N351 S352 E515	P340-M348 HydrophobicContact CB-SD 4.49Å; P340-M348 HydrophobicContact CG-SD 4.44Å; E344-M348 WeakPolarHBondContact O-CB 3.24Å; E344-M348 VanDerWaalsContact O-CG 3.23Å; E344-M348 WeakPolarHBondContact O-CG 3.23Å; E344-M348 PolarHBondContact O-N 2.92Å; M348-R350 PolarHBondContact O-N 2.99Å; M348-N351 PolarHBondContact O-N 3.3Å; M348-S352 WeakPolarHBondContact O-CB 3.37Å; M348-S352 PolarHBondContact O-N 3.49Å; M348-E515 HydrophobicContact CB-CB 4.3Å; M348-E515 WeakPolarHBondContact CB-OE2 3.5Å; M348-E515 HydrophobicContact CE-CG 3.79Å; M348-E515 WeakPolarHBondContact CE-OE1 3.3Å; M348-E515 WeakPolarHBondContact CE-OE2 3.4Å
349	A	93.8	Very high	87.2	Confident	0 Å²	0	48 Å²	48	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-60.1	-47.1	177.9	0	0	0	0	0	111.4	Q345 T346 E347 N351 S352 G353 A484 L486 E515 Q518	Q345-A349 VanDerWaalsContact O-CB 3.25Å; Q345-A349 WeakPolarHBondContact O-CB 3.47Å; Q345-A349 PolarHBondContact O-N 2.79Å; T346-A349 PolarHBondContact O-N 3.44Å; E347-A349 PolarHBondContact O-N 2.82Å; A349-N351 PolarHBondContact O-N 2.8Å; A349-S352 PolarHBondContact O-N 2.84Å; A349-G353 PolarHBondContact O-N 3.06Å; A349-A484 HydrophobicContact CB-CB 4.11Å; A349-A484 WeakPolarHBondContact O-CB 3.28Å; A349-L486 HydrophobicContact CB-CD2 3.94Å; A349-E515 VanDerWaalsContact CA-O 3.28Å; A349-E515 WeakPolarHBondContact CA-O 3.39Å; A349-Q518 HydrophobicContact CB-CG 3.98Å
350	R	93.7	Very high	87	Confident	77 Å²	77	50.5 Å²	50.5	29%	0.291	26%	0.257	S	S	.	.	H	α-helix	trans	-61	-44.8	179.6	-168.2	175.8	-158.3	169.4	12.6	112.2	T346 E347 M348 G353 R354 V459 K534	T346-R350 VanDerWaalsContact O-CB 3.28Å; T346-R350 WeakPolarHBondContact O-CB 3.41Å; T346-R350 PolarHBondContact O-N 2.95Å; E347-R350 PolarHBondContact O-N 2.84Å; M348-R350 PolarHBondContact O-N 2.99Å; R350-G353 PolarHBondContact O-N 2.86Å; R350-R354 WeakPolarHBondContact O-CG 3.36Å; R350-R354 PolarHBondContact O-N 3.38Å; R350-R354 VanDerWaalsContact O-N 3.1Å; R350-V459 HydrophobicContact CB-CG2 3.76Å; R350-V459 HydrophobicContact CG-CG2 3.76Å; R350-K534 PolarHBondContact NH1-O 3.47Å
351	N	93.3	Very high	86	Confident	72 Å²	72	51 Å²	51	39%	0.385	26%	0.26	S	S	.	.	H	α-helix	trans	-65.5	-46.4	178.9	-72.2	-25	0	0	0	111.3	E347 M348 A349 G353 R354 I355	E347-N351 WeakPolarHBondContact O-CB 3.31Å; E347-N351 VanDerWaalsContact O-CG 3.32Å; E347-N351 PolarHBondContact O-N 3.48Å; E347-N351 PolarHBondContact O-ND2 3.06Å; M348-N351 PolarHBondContact O-N 3.3Å; A349-N351 PolarHBondContact O-N 2.8Å; N351-G353 VanDerWaalsContact C-N 3.31Å; N351-G353 PolarHBondContact O-N 3.5Å; N351-R354 PolarHBondContact O-N 2.81Å; N351-I355 PolarHBondContact O-N 3.12Å
352	S	93.3	Very high	84.9	Confident	7 Å²	7	55.5 Å²	55.5	5%	0.049	28%	0.281	C	S	.	.	H	α-helix	trans	-66	-33.4	176.1	-168.8	0	0	0	0	112.4	M348 A349 I355 L356 V513 A516	M348-S352 WeakPolarHBondContact O-CB 3.37Å; M348-S352 PolarHBondContact O-N 3.49Å; A349-S352 PolarHBondContact O-N 2.84Å; S352-I355 WeakPolarHBondContact O-CB 3.4Å; S352-I355 PolarHBondContact O-N 3.39Å; S352-L356 WeakPolarHBondContact O-CB 3.26Å; S352-L356 PolarHBondContact O-N 2.96Å; S352-V513 WeakPolarHBondContact OG-CA 3.32Å; S352-V513 PolarHBondContact OG-O 2.75Å; S352-A516 PolarHBondContact OG-N 3.15Å
353	G	91.4	Very high	83.3	Confident	6 Å²	6	62 Å²	62	6%	0.062	31%	0.311	C	S	.	.	H	α-helix	trans	-63.8	-37	173.7	0	0	0	0	0	113.3	A349 R350 N351 I355 L356 A357	A349-G353 PolarHBondContact O-N 3.06Å; R350-G353 PolarHBondContact O-N 2.86Å; N351-G353 VanDerWaalsContact C-N 3.31Å; N351-G353 PolarHBondContact O-N 3.5Å; G353-I355 VanDerWaalsContact C-N 3.34Å; G353-L356 WeakPolarHBondContact O-CB 3.29Å; G353-L356 PolarHBondContact O-N 3.43Å; G353-A357 WeakPolarHBondContact O-CB 3.35Å; G353-A357 PolarHBondContact O-N 2.89Å
354	R	92.3	Very high	81.7	Confident	156 Å²	156	66.5 Å²	66.5	59%	0.589	33%	0.332	S	S	*	.	H	α-helix	trans	-63.5	-40.8	172.3	-70.8	171.4	176.3	166	-3.1	111.8	R350 N351 A357 S358	R350-R354 WeakPolarHBondContact O-CG 3.36Å; R350-R354 PolarHBondContact O-N 3.38Å; R350-R354 VanDerWaalsContact O-N 3.1Å; N351-R354 PolarHBondContact O-N 2.81Å; R354-A357 PolarHBondContact O-N 2.95Å; R354-S358 WeakPolarHBondContact O-CB 3.39Å; R354-S358 PolarHBondContact O-N 3.49Å; R354-S358 VanDerWaalsContact O-N 3.1Å; R354-S358 PolarHBondContact O-OG 3.32Å
355	I	92.4	Very high	81.2	Confident	87 Å²	87	62.7 Å²	62.7	45%	0.446	32%	0.317	S	S	.	.	H	α-helix	trans	-63.5	-46.5	174.6	-59.9	170.8	0	0	0	109.4	N351 S352 G353 A357 S358 L359 V513	N351-I355 PolarHBondContact O-N 3.12Å; S352-I355 WeakPolarHBondContact O-CB 3.4Å; S352-I355 PolarHBondContact O-N 3.39Å; G353-I355 VanDerWaalsContact C-N 3.34Å; I355-A357 VanDerWaalsContact C-N 3.34Å; I355-A357 PolarHBondContact O-N 3.41Å; I355-S358 PolarHBondContact O-N 2.97Å; I355-S358 PolarHBondContact O-OG 3.02Å; I355-L359 HydrophobicContact CG2-CD2 4.38Å; I355-L359 WeakPolarHBondContact O-CD2 3.46Å; I355-L359 WeakPolarHBondContact O-CG 3.44Å; I355-L359 PolarHBondContact O-N 3.44Å; I355-V513 HydrophobicContact CB-CG1 4.06Å; I355-V513 HydrophobicContact CG2-CG1 3.66Å
356	L	91.3	Very high	81.1	Confident	0 Å²	0	64 Å²	64	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-58.2	-42.8	178	-173	64.7	0	0	0	112.8	S352 G353 S358 L359 R367 I370 V479 V513 A516	S352-L356 WeakPolarHBondContact O-CB 3.26Å; S352-L356 PolarHBondContact O-N 2.96Å; G353-L356 WeakPolarHBondContact O-CB 3.29Å; G353-L356 PolarHBondContact O-N 3.43Å; L356-S358 VanDerWaalsContact C-N 3.29Å; L356-S358 PolarHBondContact O-N 3.35Å; L356-L359 HydrophobicContact CD1-CD1 3.97Å; L356-L359 WeakPolarHBondContact O-CG 3.38Å; L356-L359 PolarHBondContact O-N 3.16Å; L356-R367 HydrophobicContact CD1-CG 4.05Å; L356-R367 WeakPolarHBondContact O-CD 3.42Å; L356-I370 HydrophobicContact CD1-CD1 4.25Å; L356-V479 HydrophobicContact CD1-CG1 4.33Å; L356-V479 HydrophobicContact CD2-CG2 4.33Å; L356-V513 HydrophobicContact CB-CG1 4.39Å; L356-V513 HydrophobicContact CD1-CG2 4.08Å; L356-A516 HydrophobicContact CD2-CB 4.01Å
357	A	90	Very high	81.2	Confident	32 Å²	32	64.6 Å²	64.6	26%	0.264	33%	0.326	S	S	.	.	H	α-helix	trans	-65	-32.1	175.1	0	0	0	0	0	112.8	G353 R354 I355 L359 P456	G353-A357 WeakPolarHBondContact O-CB 3.35Å; G353-A357 PolarHBondContact O-N 2.89Å; R354-A357 PolarHBondContact O-N 2.95Å; I355-A357 VanDerWaalsContact C-N 3.34Å; I355-A357 PolarHBondContact O-N 3.41Å; A357-L359 VanDerWaalsContact C-N 3.34Å; A357-P456 HydrophobicContact CB-CG 3.77Å
358	S	87.9	Confident	81.3	Confident	83 Å²	83	60.5 Å²	60.5	58%	0.58	31%	0.307	S	S	*	.	H	α-helix	trans	-81.1	-9.3	-179.6	74.3	0	0	0	0	114.6	R354 I355 L356 H360	R354-S358 WeakPolarHBondContact O-CB 3.39Å; R354-S358 PolarHBondContact O-N 3.49Å; R354-S358 VanDerWaalsContact O-N 3.1Å; R354-S358 PolarHBondContact O-OG 3.32Å; I355-S358 PolarHBondContact O-N 2.97Å; I355-S358 PolarHBondContact O-OG 3.02Å; L356-S358 VanDerWaalsContact C-N 3.29Å; L356-S358 PolarHBondContact O-N 3.35Å; S358-H360 PolarHBondContact O-N 2.88Å
359	L	84.5	Confident	81.4	Confident	20 Å²	20	63 Å²	63	11%	0.105	32%	0.316	C	S	.	.	S	Bend	trans	-62.5	112.5	176.4	-56.4	-173.2	0	0	0	109.1	I355 L356 A357 Q366 R367 H511	I355-L359 HydrophobicContact CG2-CD2 4.38Å; I355-L359 WeakPolarHBondContact O-CD2 3.46Å; I355-L359 WeakPolarHBondContact O-CG 3.44Å; I355-L359 PolarHBondContact O-N 3.44Å; L356-L359 HydrophobicContact CD1-CD1 3.97Å; L356-L359 WeakPolarHBondContact O-CG 3.38Å; L356-L359 PolarHBondContact O-N 3.16Å; A357-L359 VanDerWaalsContact C-N 3.34Å; L359-Q366 HydrophobicContact CB-CB 4.38Å; L359-Q366 HydrophobicContact CD1-CB 4.09Å; L359-R367 HydrophobicContact CB-CG 4.44Å; L359-R367 HydrophobicContact CD1-CG 4.28Å; L359-R367 PolarHBondContact O-NH1 3.18Å; L359-H511 HydrophobicContact CD1-CB 4.45Å
360	H	63.6	Low	81.4	Confident	104 Å²	104	63.1 Å²	63.1	48%	0.481	32%	0.317	S	S	.	.			trans	-68.1	140.3	-167.4	-144.2	-86.1	0	0	0	112.1	S358 D362	S358-H360 PolarHBondContact O-N 2.88Å; H360-D362 IonicContact CE1-OD2 3.12Å; H360-D362 PolarHBondContact CE1-OD2 3.32Å; H360-D362 IonicContact ND1-OD2 2.72Å
361	P	53.2	Low	81.4	Confident	58 Å²	58	59.6 Å²	59.6	38%	0.377	30%	0.304	S	S	.	.	S	Bend	trans	-62.3	-45.7	174.5	-22	32.8	0	0	0	113.1	Q363 Q364	P361-Q363 VanDerWaalsContact C-N 3.28Å; P361-Q363 PolarHBondContact O-N 2.91Å; P361-Q364 PolarHBondContact O-N 3.38Å
362	D	54.3	Low	81.5	Confident	139 Å²	139	58 Å²	58	74%	0.743	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-21.8	-174.4	-61.8	-27.8	0	0	0	115	H360 Q364	H360-D362 IonicContact CE1-OD2 3.12Å; H360-D362 PolarHBondContact CE1-OD2 3.32Å; H360-D362 IonicContact ND1-OD2 2.72Å; D362-Q364 PolarHBondContact O-N 3Å
363	Q	49.2	Very low	81.7	Confident	138 Å²	138	59.8 Å²	59.8	65%	0.645	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	55.9	169.2	-73.1	-173.2	-12.4	0	0	110.4	P361 C365	P361-Q363 VanDerWaalsContact C-N 3.28Å; P361-Q363 PolarHBondContact O-N 2.91Å; Q363-C365 PolarHBondContact O-N 3.48Å
364	Q	49.4	Very low	82	Confident	152 Å²	152	59.8 Å²	59.8	71%	0.71	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	34.7	80.2	172.6	-83.3	173	-11.9	0	0	114.5	P361 D362 Q366 K369	P361-Q364 PolarHBondContact O-N 3.38Å; D362-Q364 PolarHBondContact O-N 3Å; Q364-Q366 PolarHBondContact O-N 3Å; Q364-Q366 VanDerWaalsContact O-N 3.12Å; Q364-K369 WeakPolarHBondContact O-CE 3.44Å; Q364-K369 PolarHBondContact O-NZ 3.21Å
365	C	73.7	Confident	82.2	Confident	25 Å²	25	52.4 Å²	52.4	17%	0.169	28%	0.276	C	S	.	.			trans	57.9	39.7	141.5	-134.5	0	0	0	0	116.5	Q363 R367 S368 K369 Q432	Q363-C365 PolarHBondContact O-N 3.48Å; C365-R367 VanDerWaalsContact C-N 3.27Å; C365-R367 PolarHBondContact O-N 2.85Å; C365-S368 PolarHBondContact O-N 3.36Å; C365-S368 WeakPolarHBondContact SG-CB 3.35Å; C365-S368 PolarHBondContact SG-OG 3.49Å; C365-K369 PolarHBondContact O-N 3.04Å; C365-Q432 WeakPolarHBondContact SG-CG 3.43Å
366	Q	87.4	Confident	82.5	Confident	41 Å²	41	51.8 Å²	51.8	19%	0.192	27%	0.272	C	S	.	.	H	α-helix	trans	-55.2	-41.3	-179	-64.7	178.9	-14.9	0	0	112.4	L359 Q364 S368 K369 I370	L359-Q366 HydrophobicContact CB-CB 4.38Å; L359-Q366 HydrophobicContact CD1-CB 4.09Å; Q364-Q366 PolarHBondContact O-N 3Å; Q364-Q366 VanDerWaalsContact O-N 3.12Å; Q366-S368 PolarHBondContact O-N 3.39Å; Q366-K369 WeakPolarHBondContact O-CB 3.18Å; Q366-K369 PolarHBondContact O-N 3.03Å; Q366-I370 WeakPolarHBondContact O-CG1 3.26Å; Q366-I370 PolarHBondContact O-N 3.12Å; Q366-I370 VanDerWaalsContact O-N 3.09Å
367	R	90.6	Very high	82.8	Confident	13 Å²	13	51.9 Å²	51.9	5%	0.049	27%	0.272	C	S	.	.	H	α-helix	trans	-61.4	-41.8	175.3	-60.8	-169.7	-55.1	-91.1	-6.6	112.1	L356 L359 C365 I370 I371 V479 A480	L356-R367 HydrophobicContact CD1-CG 4.05Å; L356-R367 WeakPolarHBondContact O-CD 3.42Å; L359-R367 HydrophobicContact CB-CG 4.44Å; L359-R367 HydrophobicContact CD1-CG 4.28Å; L359-R367 PolarHBondContact O-NH1 3.18Å; C365-R367 VanDerWaalsContact C-N 3.27Å; C365-R367 PolarHBondContact O-N 2.85Å; R367-I370 WeakPolarHBondContact O-CB 3.49Å; R367-I370 PolarHBondContact O-N 3.35Å; R367-I371 WeakPolarHBondContact O-CD1 3.33Å; R367-I371 VanDerWaalsContact O-CG1 3.31Å; R367-I371 WeakPolarHBondContact O-CG1 3.19Å; R367-I371 PolarHBondContact O-N 3.44Å; R367-I371 VanDerWaalsContact O-N 3.15Å; R367-V479 HydrophobicContact CB-CG1 4.22Å; R367-V479 WeakPolarHBondContact CD-O 3.18Å; R367-A480 PolarHBondContact NE-O 2.98Å
368	S	91.1	Very high	83.1	Confident	8 Å²	8	50.4 Å²	50.4	6%	0.056	26%	0.26	C	S	.	.	H	α-helix	trans	-71	-32.2	176.7	-56.2	0	0	0	0	113.2	C365 Q366 I370 I371 C372 A428	C365-S368 PolarHBondContact O-N 3.36Å; C365-S368 WeakPolarHBondContact SG-CB 3.35Å; C365-S368 PolarHBondContact SG-OG 3.49Å; Q366-S368 PolarHBondContact O-N 3.39Å; S368-I370 VanDerWaalsContact C-N 3.33Å; S368-I371 PolarHBondContact O-N 3.24Å; S368-C372 WeakPolarHBondContact O-CB 3.26Å; S368-C372 PolarHBondContact O-N 3.06Å; S368-C372 PolarHBondContact O-SG 3.19Å; S368-C372 VanDerWaalsContact O-SG 3.37Å; S368-A428 VanDerWaalsContact CB-O 3.24Å; S368-A428 WeakPolarHBondContact CB-O 3.4Å; S368-A428 PolarHBondContact OG-O 2.94Å
369	K	92.1	Very high	83.5	Confident	104 Å²	104	50.2 Å²	50.2	45%	0.452	26%	0.255	S	S	.	.	H	α-helix	trans	-61	-43	171.7	-72.4	171.8	178.5	158.2	0	111.2	Q364 C365 Q366 I371 C372 H373	Q364-K369 WeakPolarHBondContact O-CE 3.44Å; Q364-K369 PolarHBondContact O-NZ 3.21Å; C365-K369 PolarHBondContact O-N 3.04Å; Q366-K369 WeakPolarHBondContact O-CB 3.18Å; Q366-K369 PolarHBondContact O-N 3.03Å; K369-I371 VanDerWaalsContact C-N 3.34Å; K369-I371 PolarHBondContact O-N 2.87Å; K369-C372 PolarHBondContact O-N 2.89Å; K369-H373 WeakPolarHBondContact O-CB 3.42Å; K369-H373 PolarHBondContact O-N 3.29Å
370	I	94.4	Very high	84.1	Confident	4 Å²	4	55.8 Å²	55.8	2%	0.021	28%	0.281	C	S	.	.	H	α-helix	trans	-57.3	-48.6	173.5	-64.1	166.2	0	0	0	110.3	L356 Q366 R367 S368 H373 L374 V479 A507 L508 H511 V513	L356-I370 HydrophobicContact CD1-CD1 4.25Å; Q366-I370 WeakPolarHBondContact O-CG1 3.26Å; Q366-I370 PolarHBondContact O-N 3.12Å; Q366-I370 VanDerWaalsContact O-N 3.09Å; R367-I370 WeakPolarHBondContact O-CB 3.49Å; R367-I370 PolarHBondContact O-N 3.35Å; S368-I370 VanDerWaalsContact C-N 3.33Å; I370-H373 PolarHBondContact O-N 3.41Å; I370-L374 PolarHBondContact O-N 3.25Å; I370-V479 HydrophobicContact CB-CG1 4.19Å; I370-V479 HydrophobicContact CD1-CG1 4.46Å; I370-V479 HydrophobicContact CG2-CG1 4.01Å; I370-A507 HydrophobicContact CG2-CB 4.13Å; I370-L508 HydrophobicContact CD1-CD2 4.33Å; I370-L508 HydrophobicContact CG2-CD2 3.94Å; I370-L508 HydrophobicContact CG2-CG 4.19Å; I370-H511 HydrophobicContact CD1-CB 4.29Å; I370-V513 HydrophobicContact CD1-CG2 3.87Å
371	I	95.1	Very high	85.7	Confident	2 Å²	2	54.7 Å²	54.7	1%	0.01	28%	0.275	C	S	.	.	H	α-helix	trans	-67.5	-43.3	-176.8	-61.4	160.1	0	0	0	111.7	R367 S368 K369 H373 L374 A375 L424 I427 A428 A476 V479 A480	R367-I371 WeakPolarHBondContact O-CD1 3.33Å; R367-I371 VanDerWaalsContact O-CG1 3.31Å; R367-I371 WeakPolarHBondContact O-CG1 3.19Å; R367-I371 PolarHBondContact O-N 3.44Å; R367-I371 VanDerWaalsContact O-N 3.15Å; S368-I371 PolarHBondContact O-N 3.24Å; K369-I371 VanDerWaalsContact C-N 3.34Å; K369-I371 PolarHBondContact O-N 2.87Å; I371-H373 VanDerWaalsContact C-N 3.32Å; I371-H373 PolarHBondContact O-N 2.85Å; I371-L374 PolarHBondContact O-N 3.14Å; I371-A375 PolarHBondContact O-N 3.29Å; I371-L424 HydrophobicContact CG2-CB 3.96Å; I371-L424 HydrophobicContact CG2-CG 4.1Å; I371-L424 WeakPolarHBondContact CG2-O 3.43Å; I371-I427 HydrophobicContact CD1-CG2 4.22Å; I371-A428 HydrophobicContact CB-CB 4.02Å; I371-A428 HydrophobicContact CG2-CB 3.94Å; I371-A476 HydrophobicContact CG1-CB 4.36Å; I371-A476 HydrophobicContact CG2-CB 3.89Å; I371-V479 HydrophobicContact CD1-CB 4.43Å; I371-V479 HydrophobicContact CD1-CG1 4.07Å; I371-V479 HydrophobicContact CG1-CB 4.21Å; I371-V479 HydrophobicContact CG1-CG1 3.81Å; I371-A480 HydrophobicContact CD1-CB 3.65Å
372	C	95.1	Very high	87.8	Confident	39 Å²	39	55 Å²	55	26%	0.264	27%	0.27	S	S	.	.	H	α-helix	trans	-61.3	-41.8	175.5	-75.5	0	0	0	0	111.5	S368 K369 A375 E376	S368-C372 WeakPolarHBondContact O-CB 3.26Å; S368-C372 PolarHBondContact O-N 3.06Å; S368-C372 PolarHBondContact O-SG 3.19Å; S368-C372 VanDerWaalsContact O-SG 3.37Å; K369-C372 PolarHBondContact O-N 2.89Å; C372-A375 WeakPolarHBondContact O-CB 3.14Å; C372-A375 PolarHBondContact O-N 3.17Å; C372-E376 WeakPolarHBondContact O-CG 3.42Å; C372-E376 PolarHBondContact O-N 2.83Å
373	H	96.8	Very high	89.8	Confident	45 Å²	45	54.4 Å²	54.4	21%	0.208	27%	0.267	C	S	.	.	H	α-helix	trans	-66.6	-39.3	177.1	-169.6	57.6	0	0	0	112	K369 I370 I371 A375 E376 L377 A507 L510	K369-H373 WeakPolarHBondContact O-CB 3.42Å; K369-H373 PolarHBondContact O-N 3.29Å; I370-H373 PolarHBondContact O-N 3.41Å; I371-H373 VanDerWaalsContact C-N 3.32Å; I371-H373 PolarHBondContact O-N 2.85Å; H373-A375 VanDerWaalsContact C-N 3.29Å; H373-A375 PolarHBondContact O-N 3.31Å; H373-E376 IonicContact ND1-OE2 2.98Å; H373-E376 PolarHBondContact ND1-OE2 3.28Å; H373-E376 WeakPolarHBondContact O-CB 3.28Å; H373-E376 PolarHBondContact O-N 3.49Å; H373-E376 VanDerWaalsContact O-N 3.16Å; H373-L377 WeakPolarHBondContact O-CG 3.47Å; H373-L377 PolarHBondContact O-N 3.42Å; H373-A507 HydrophobicContact CB-CB 4.46Å; H373-L510 HydrophobicContact CB-CD1 3.93Å
374	L	97.6	Very high	92.2	Very high	6 Å²	6	52.1 Å²	52.1	3%	0.031	26%	0.256	C	S	.	.	H	α-helix	trans	-58.9	-41.4	171.3	-179.4	56.8	0	0	0	111.5	I370 I371 E376 L377 L378 L424 L503 T504 A507	I370-L374 PolarHBondContact O-N 3.25Å; I371-L374 PolarHBondContact O-N 3.14Å; L374-E376 VanDerWaalsContact C-N 3.32Å; L374-E376 PolarHBondContact O-N 2.87Å; L374-L377 PolarHBondContact O-N 3.36Å; L374-L378 WeakPolarHBondContact O-CG 3.33Å; L374-L378 PolarHBondContact O-N 3.09Å; L374-L424 HydrophobicContact CB-CD2 4.11Å; L374-L424 HydrophobicContact CD2-CD2 3.82Å; L374-L424 HydrophobicContact CG-CD2 3.7Å; L374-L503 HydrophobicContact CD1-CB 4.21Å; L374-T504 HydrophobicContact CD2-CG2 4.43Å; L374-A507 HydrophobicContact CB-CB 4Å
375	A	96.9	Very high	94.5	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-63.2	-35.8	176	0	0	0	0	0	113.1	I371 C372 H373 T379 A421 L424 R425	I371-A375 PolarHBondContact O-N 3.29Å; C372-A375 WeakPolarHBondContact O-CB 3.14Å; C372-A375 PolarHBondContact O-N 3.17Å; H373-A375 VanDerWaalsContact C-N 3.29Å; H373-A375 PolarHBondContact O-N 3.31Å; A375-T379 PolarHBondContact O-OG1 2.94Å; A375-T379 VanDerWaalsContact O-OG1 3.13Å; A375-A421 HydrophobicContact CB-CB 4.21Å; A375-L424 HydrophobicContact CB-CB 3.86Å; A375-L424 HydrophobicContact CB-CD2 4.29Å; A375-R425 HydrophobicContact CB-CG 4.17Å
376	E	97.6	Very high	95.6	Very high	75 Å²	75	45.7 Å²	45.7	35%	0.35	23%	0.225	S	C	.	.	H	α-helix	trans	-66.1	-49	173.1	-70.6	162.5	-177.2	0	0	111	C372 H373 L374 L378 T379 E380 R425	C372-E376 WeakPolarHBondContact O-CG 3.42Å; C372-E376 PolarHBondContact O-N 2.83Å; H373-E376 IonicContact ND1-OE2 2.98Å; H373-E376 PolarHBondContact ND1-OE2 3.28Å; H373-E376 WeakPolarHBondContact O-CB 3.28Å; H373-E376 PolarHBondContact O-N 3.49Å; H373-E376 VanDerWaalsContact O-N 3.16Å; L374-E376 VanDerWaalsContact C-N 3.32Å; L374-E376 PolarHBondContact O-N 2.87Å; E376-L378 VanDerWaalsContact C-N 3.29Å; E376-L378 PolarHBondContact O-N 3.12Å; E376-T379 CarbonylContact O-C 3.51Å; E376-T379 WeakPolarHBondContact O-CA 3.35Å; E376-T379 WeakPolarHBondContact O-CB 3.5Å; E376-T379 PolarHBondContact O-N 3.46Å; E376-E380 PolarHBondContact O-N 3.31Å; E376-R425 IonicContact OE1-NH1 3.38Å
377	L	97.9	Very high	96.1	Very high	2 Å²	2	46.1 Å²	46.1	1%	0.01	24%	0.236	C	C	.	.	H	α-helix	trans	-58	-39	177.7	-70.8	175.1	0	0	0	112.6	H373 L374 T379 E380 K381 L503 E506 A507	H373-L377 WeakPolarHBondContact O-CG 3.47Å; H373-L377 PolarHBondContact O-N 3.42Å; L374-L377 PolarHBondContact O-N 3.36Å; L377-T379 PolarHBondContact O-N 2.75Å; L377-E380 PolarHBondContact O-N 2.94Å; L377-K381 VanDerWaalsContact O-CB 3.26Å; L377-K381 WeakPolarHBondContact O-CB 3.25Å; L377-K381 PolarHBondContact O-N 3.19Å; L377-L503 HydrophobicContact CB-CB 4.39Å; L377-L503 HydrophobicContact CB-CD2 4.43Å; L377-L503 HydrophobicContact CD1-CB 4.35Å; L377-L503 WeakPolarHBondContact CD1-O 3.26Å; L377-E506 HydrophobicContact CD1-CB 4.08Å; L377-E506 HydrophobicContact CD1-CG 4.06Å; L377-A507 HydrophobicContact CD1-CB 4.32Å
378	L	97.1	Very high	96.5	Very high	1 Å²	1	46 Å²	46	1%	0.005	24%	0.237	C	C	.	.	H	α-helix	trans	-60.4	-29.7	174.4	-70.1	179.2	0	0	0	112.8	L374 E376 I385 L420 L424 P472 L500	L374-L378 WeakPolarHBondContact O-CG 3.33Å; L374-L378 PolarHBondContact O-N 3.09Å; E376-L378 VanDerWaalsContact C-N 3.29Å; E376-L378 PolarHBondContact O-N 3.12Å; L378-I385 HydrophobicContact CD2-CD1 3.86Å; L378-L420 HydrophobicContact CD1-CB 4.25Å; L378-L424 HydrophobicContact CD1-CD2 4.03Å; L378-P472 HydrophobicContact CD1-CB 4.05Å; L378-P472 HydrophobicContact CD1-CG 4.46Å; L378-L500 HydrophobicContact CD2-CD2 3.58Å
379	T	95.6	Very high	96.8	Very high	79 Å²	79	46 Å²	46	49%	0.485	24%	0.236	S	C	.	.	H	α-helix	trans	-84.5	-45.4	178.9	-51.5	0	0	0	0	111	A375 E376 L377 K382	A375-T379 PolarHBondContact O-OG1 2.94Å; A375-T379 VanDerWaalsContact O-OG1 3.13Å; E376-T379 CarbonylContact O-C 3.51Å; E376-T379 WeakPolarHBondContact O-CA 3.35Å; E376-T379 WeakPolarHBondContact O-CB 3.5Å; E376-T379 PolarHBondContact O-N 3.46Å; L377-T379 PolarHBondContact O-N 2.75Å; T379-K382 VanDerWaalsContact O-CB 3.29Å; T379-K382 WeakPolarHBondContact O-CB 3.44Å
380	E	96.9	Very high	97	Very high	137 Å²	137	47.3 Å²	47.3	64%	0.64	24%	0.242	S	C	*	.	H	α-helix	trans	-69.5	-39.9	-178.8	-68.8	-177.9	176.3	0	0	112.9	E376 L377 K382	E376-E380 PolarHBondContact O-N 3.31Å; L377-E380 PolarHBondContact O-N 2.94Å; E380-K382 VanDerWaalsContact C-N 3.32Å
381	K	97.4	Very high	97.1	Very high	80 Å²	80	52.2 Å²	52.2	35%	0.348	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	16.9	-178.2	-54.7	-65.4	-173.7	176.1	0	112.7	L377 D383 E384 I385 L503	L377-K381 VanDerWaalsContact O-CB 3.26Å; L377-K381 WeakPolarHBondContact O-CB 3.25Å; L377-K381 PolarHBondContact O-N 3.19Å; K381-D383 VanDerWaalsContact C-N 3.29Å; K381-D383 PolarHBondContact O-N 3.07Å; K381-E384 WeakPolarHBondContact O-CB 3.41Å; K381-E384 PolarHBondContact O-N 3.41Å; K381-E384 VanDerWaalsContact O-N 3.09Å; K381-I385 WeakPolarHBondContact O-CG1 3.3Å; K381-I385 PolarHBondContact O-N 3.39Å; K381-L503 HydrophobicContact CB-CD1 3.95Å; K381-L503 HydrophobicContact CB-CD2 4.14Å; K381-L503 HydrophobicContact CG-CD1 4.41Å; K381-L503 HydrophobicContact CG-CD2 3.76Å
382	K	97.4	Very high	97.1	Very high	64 Å²	64	52.1 Å²	52.1	28%	0.278	27%	0.266	S	S	.	.	H	α-helix	trans	-49.4	-46.9	-178.7	173.2	-175	167.6	-171.2	0	112.9	T379 E380 E384 I385 L386 S414 L417	T379-K382 VanDerWaalsContact O-CB 3.29Å; T379-K382 WeakPolarHBondContact O-CB 3.44Å; E380-K382 VanDerWaalsContact C-N 3.32Å; K382-E384 VanDerWaalsContact C-N 3.32Å; K382-E384 PolarHBondContact O-N 3.06Å; K382-I385 PolarHBondContact O-N 3.1Å; K382-L386 HydrophobicContact CG-CD1 3.92Å; K382-L386 HydrophobicContact CG-CG 4.4Å; K382-L386 WeakPolarHBondContact O-CG 3.46Å; K382-L386 PolarHBondContact O-N 2.99Å; K382-S414 VanDerWaalsContact CE-CB 3.49Å; K382-S414 WeakPolarHBondContact CE-OG 3.35Å; K382-S414 PolarHBondContact NZ-OG 3.27Å; K382-L417 HydrophobicContact CB-CD1 4.48Å; K382-L417 HydrophobicContact CG-CD1 3.91Å
383	D	97.5	Very high	97	Very high	128 Å²	128	52.4 Å²	52.4	68%	0.684	26%	0.264	S	S	*	.	H	α-helix	trans	-66.7	-35.4	-176.5	-66.1	-25.2	0	0	0	112	K381 A387	K381-D383 VanDerWaalsContact C-N 3.29Å; K381-D383 PolarHBondContact O-N 3.07Å; D383-A387 VanDerWaalsContact O-CB 3.3Å; D383-A387 WeakPolarHBondContact O-CB 3.49Å; D383-A387 PolarHBondContact O-N 2.85Å
384	E	97.8	Very high	96.9	Very high	90 Å²	90	55.5 Å²	55.5	42%	0.421	28%	0.278	S	S	.	.	H	α-helix	trans	-66	-44.5	174.3	-173.3	-179.7	169.8	0	0	111.3	K381 K382 A387 A388 V499	K381-E384 WeakPolarHBondContact O-CB 3.41Å; K381-E384 PolarHBondContact O-N 3.41Å; K381-E384 VanDerWaalsContact O-N 3.09Å; K382-E384 VanDerWaalsContact C-N 3.32Å; K382-E384 PolarHBondContact O-N 3.06Å; E384-A387 PolarHBondContact O-N 3.08Å; E384-A388 PolarHBondContact O-N 3.06Å; E384-V499 HydrophobicContact CG-CG1 4.17Å
385	I	98.1	Very high	96.6	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-61.7	-47.2	177.4	-62.3	163.5	0	0	0	110.7	L378 K381 K382 A388 N389 L412 L417 V499 L500 L503	L378-I385 HydrophobicContact CD2-CD1 3.86Å; K381-I385 WeakPolarHBondContact O-CG1 3.3Å; K381-I385 PolarHBondContact O-N 3.39Å; K382-I385 PolarHBondContact O-N 3.1Å; I385-A388 PolarHBondContact O-N 3.15Å; I385-N389 WeakPolarHBondContact O-CB 3.2Å; I385-N389 PolarHBondContact O-N 3.07Å; I385-L412 HydrophobicContact CG2-CD1 3.84Å; I385-L417 HydrophobicContact CB-CD1 4.39Å; I385-L417 HydrophobicContact CD1-CD2 4.38Å; I385-L417 HydrophobicContact CG2-CD1 4.16Å; I385-L417 HydrophobicContact CG2-CD2 4.11Å; I385-V499 HydrophobicContact CG1-CG1 3.95Å; I385-L500 HydrophobicContact CD1-CD2 3.96Å; I385-L500 HydrophobicContact CG1-CD2 4.14Å; I385-L500 HydrophobicContact CG2-CD2 4.09Å; I385-L503 HydrophobicContact CD1-CD1 3.79Å; I385-L503 HydrophobicContact CG1-CD1 4.06Å
386	L	97.9	Very high	96.3	Very high	41 Å²	41	60 Å²	60	22%	0.215	30%	0.301	C	S	.	.	H	α-helix	trans	-67.4	-35.6	-179.3	-67.9	177.7	0	0	0	112	K382 N389 K390 L412 L417	K382-L386 HydrophobicContact CG-CD1 3.92Å; K382-L386 HydrophobicContact CG-CG 4.4Å; K382-L386 WeakPolarHBondContact O-CG 3.46Å; K382-L386 PolarHBondContact O-N 2.99Å; L386-N389 PolarHBondContact O-N 3.41Å; L386-K390 WeakPolarHBondContact O-CB 3.14Å; L386-K390 PolarHBondContact O-N 3.3Å; L386-L412 HydrophobicContact CD2-CB 4.31Å; L386-L417 HydrophobicContact CD2-CD1 4Å; L386-L417 HydrophobicContact CG-CD1 4.1Å
387	A	97.9	Very high	95.8	Very high	51 Å²	51	60.9 Å²	60.9	42%	0.421	31%	0.312	S	S	.	.	H	α-helix	trans	-63.3	-44.5	173.6	0	0	0	0	0	111.7	D383 E384 K390 M391	D383-A387 VanDerWaalsContact O-CB 3.3Å; D383-A387 WeakPolarHBondContact O-CB 3.49Å; D383-A387 PolarHBondContact O-N 2.85Å; E384-A387 PolarHBondContact O-N 3.08Å; A387-K390 WeakPolarHBondContact O-CB 3.42Å; A387-K390 PolarHBondContact O-N 3.32Å; A387-M391 PolarHBondContact O-N 2.86Å
388	A	97.4	Very high	95.3	Very high	9 Å²	9	65.5 Å²	65.5	7%	0.074	35%	0.345	C	S	.	.	H	α-helix	trans	-63.5	-41.9	175.5	0	0	0	0	0	112.2	E384 I385 K390 M391 D392 N495 V499	E384-A388 PolarHBondContact O-N 3.06Å; I385-A388 PolarHBondContact O-N 3.15Å; A388-K390 VanDerWaalsContact C-N 3.33Å; A388-K390 PolarHBondContact O-N 3.2Å; A388-M391 PolarHBondContact O-N 3.19Å; A388-D392 PolarHBondContact O-N 3.46Å; A388-D392 VanDerWaalsContact O-N 3.15Å; A388-N495 HydrophobicContact CB-CB 4.27Å; A388-V499 HydrophobicContact CB-CG2 3.87Å
389	N	97.8	Very high	94.7	Very high	8 Å²	8	68.2 Å²	68.2	4%	0.043	37%	0.367	C	S	.	.	H	α-helix	trans	-64.6	-37.3	176.4	-171.2	-111.8	0	0	0	112.7	I385 L386 M391 D392 M393 L410 L412 T496	I385-N389 WeakPolarHBondContact O-CB 3.2Å; I385-N389 PolarHBondContact O-N 3.07Å; L386-N389 PolarHBondContact O-N 3.41Å; N389-M391 VanDerWaalsContact C-N 3.33Å; N389-M391 PolarHBondContact O-N 3.24Å; N389-D392 PolarHBondContact O-N 3.5Å; N389-M393 WeakPolarHBondContact O-CB 3.47Å; N389-M393 VanDerWaalsContact O-CG 3.27Å; N389-M393 WeakPolarHBondContact O-CG 3.49Å; N389-M393 PolarHBondContact O-N 3.23Å; N389-L410 PolarHBondContact ND2-O 3.5Å; N389-L412 HydrophobicContact CB-CB 4.27Å; N389-L412 PolarHBondContact OD1-N 3.02Å; N389-T496 WeakPolarHBondContact CA-OG1 3.32Å; N389-T496 HydrophobicContact CB-CG2 4.23Å; N389-T496 PolarHBondContact N-OG1 2.9Å; N389-T496 PolarHBondContact ND2-OG1 3.32Å
390	K	96.9	Very high	93.7	Very high	132 Å²	132	67.8 Å²	67.8	57%	0.574	38%	0.378	S	S	*	.	H	α-helix	trans	-60.1	-43.4	174.7	-172	-179.5	178.2	-171.2	0	111.7	L386 A387 A388 M393 E394	L386-K390 WeakPolarHBondContact O-CB 3.14Å; L386-K390 PolarHBondContact O-N 3.3Å; A387-K390 WeakPolarHBondContact O-CB 3.42Å; A387-K390 PolarHBondContact O-N 3.32Å; A388-K390 VanDerWaalsContact C-N 3.33Å; A388-K390 PolarHBondContact O-N 3.2Å; K390-M393 PolarHBondContact O-N 3.28Å; K390-E394 WeakPolarHBondContact CE-OE1 3.49Å; K390-E394 WeakPolarHBondContact O-CG 3.46Å; K390-E394 PolarHBondContact O-N 3.19Å
391	M	95.6	Very high	92.4	Very high	107 Å²	107	71.8 Å²	71.8	53%	0.527	39%	0.387	S	S	.	.	H	α-helix	trans	-61.2	-45	175.9	-65.2	179.1	-176	0	0	111.9	A387 A388 N389 M393 E394 M395	A387-M391 PolarHBondContact O-N 2.86Å; A388-M391 PolarHBondContact O-N 3.19Å; N389-M391 VanDerWaalsContact C-N 3.33Å; N389-M391 PolarHBondContact O-N 3.24Å; M391-M393 PolarHBondContact O-N 3.4Å; M391-E394 PolarHBondContact O-N 2.94Å; M391-M395 WeakPolarHBondContact O-CG 3.35Å; M391-M395 PolarHBondContact O-N 3.1Å
392	D	95.2	Very high	91.6	Very high	1 Å²	1	70 Å²	70	1%	0.005	38%	0.381	C	S	.	.	H	α-helix	trans	-61.6	-42.8	176.9	-77.4	-20.4	0	0	0	111.8	A388 N389 M395 A396 E492 A493 N495 T496	A388-D392 PolarHBondContact O-N 3.46Å; A388-D392 VanDerWaalsContact O-N 3.15Å; N389-D392 PolarHBondContact O-N 3.5Å; D392-M395 PolarHBondContact O-N 2.88Å; D392-M395 VanDerWaalsContact OD1-CE 3.32Å; D392-M395 WeakPolarHBondContact OD1-CE 3.37Å; D392-A396 VanDerWaalsContact O-CB 3.24Å; D392-A396 WeakPolarHBondContact O-CB 3.34Å; D392-A396 PolarHBondContact O-N 2.84Å; D392-E492 WeakPolarHBondContact CB-O 3.35Å; D392-A493 WeakPolarHBondContact OD2-CA 3.49Å; D392-N495 WeakPolarHBondContact OD1-CB 3.21Å; D392-N495 PolarHBondContact OD1-N 2.96Å; D392-N495 PolarHBondContact OD1-ND2 2.97Å; D392-N495 PolarHBondContact OD2-N 2.74Å; D392-T496 WeakPolarHBondContact OD2-CB 3.31Å; D392-T496 PolarHBondContact OD2-N 2.72Å; D392-T496 PolarHBondContact OD2-OG1 3.36Å
393	M	94.5	Very high	90.9	Very high	45 Å²	45	70.2 Å²	70.2	22%	0.222	39%	0.39	C	S	.	.	H	α-helix	trans	-62.9	-43.7	176.1	-70.6	-65.3	-65.6	0	0	112.2	N389 K390 M391 A396 V397 L407 L410	N389-M393 WeakPolarHBondContact O-CB 3.47Å; N389-M393 VanDerWaalsContact O-CG 3.27Å; N389-M393 WeakPolarHBondContact O-CG 3.49Å; N389-M393 PolarHBondContact O-N 3.23Å; K390-M393 PolarHBondContact O-N 3.28Å; M391-M393 PolarHBondContact O-N 3.4Å; M393-A396 PolarHBondContact O-N 3.07Å; M393-V397 WeakPolarHBondContact O-CB 3.35Å; M393-V397 VanDerWaalsContact O-CG2 3.28Å; M393-V397 WeakPolarHBondContact O-CG2 3.45Å; M393-V397 PolarHBondContact O-N 3.46Å; M393-L407 HydrophobicContact CE-CB 4.4Å; M393-L407 HydrophobicContact CE-CD2 4.46Å; M393-L410 HydrophobicContact SD-CB 3.9Å; M393-L410 HydrophobicContact SD-CD2 3.77Å; M393-L410 HydrophobicContact SD-CG 3.68Å
394	E	94.1	Very high	90.1	Very high	109 Å²	109	69.3 Å²	69.3	51%	0.509	39%	0.391	S	S	.	.	H	α-helix	trans	-64.5	-42.5	177.6	-73.8	172.5	-179.2	0	0	112	K390 M391 S398	K390-E394 WeakPolarHBondContact CE-OE1 3.49Å; K390-E394 WeakPolarHBondContact O-CG 3.46Å; K390-E394 PolarHBondContact O-N 3.19Å; M391-E394 PolarHBondContact O-N 2.94Å; E394-S398 VanDerWaalsContact O-CB 3.3Å; E394-S398 WeakPolarHBondContact O-CB 3.33Å; E394-S398 PolarHBondContact O-N 3.32Å; E394-S398 PolarHBondContact O-OG 2.98Å
395	M	91.3	Very high	89.2	Confident	93 Å²	93	67.4 Å²	67.4	46%	0.458	39%	0.39	S	S	.	.	H	α-helix	trans	-64.5	-41.5	174.3	-71.7	-170	-59.1	0	0	112	M391 D392 S398 A399 N495	M391-M395 WeakPolarHBondContact O-CG 3.35Å; M391-M395 PolarHBondContact O-N 3.1Å; D392-M395 PolarHBondContact O-N 2.88Å; D392-M395 VanDerWaalsContact OD1-CE 3.32Å; D392-M395 WeakPolarHBondContact OD1-CE 3.37Å; M395-S398 WeakPolarHBondContact CA-OG 3.34Å; M395-S398 PolarHBondContact O-OG 3.19Å; M395-S398 VanDerWaalsContact O-OG 3.06Å; M395-A399 VanDerWaalsContact O-CB 3.26Å; M395-A399 WeakPolarHBondContact O-CB 3.39Å; M395-A399 PolarHBondContact O-N 3.43Å; M395-N495 WeakPolarHBondContact CE-ND2 3.36Å
396	A	89.8	Confident	88.5	Confident	7 Å²	7	69.3 Å²	69.3	6%	0.058	40%	0.399	C	S	.	.	H	α-helix	trans	-63.5	-43.8	178.5	0	0	0	0	0	112.2	D392 M393 G400 L402 L407 L410	D392-A396 VanDerWaalsContact O-CB 3.24Å; D392-A396 WeakPolarHBondContact O-CB 3.34Å; D392-A396 PolarHBondContact O-N 2.84Å; M393-A396 PolarHBondContact O-N 3.07Å; A396-G400 PolarHBondContact O-N 3.35Å; A396-L402 HydrophobicContact CB-CD1 3.49Å; A396-L402 VanDerWaalsContact CB-CD1 3.49Å; A396-L407 HydrophobicContact CB-CD2 3.67Å; A396-L410 HydrophobicContact CB-CD2 3.9Å
397	V	88.6	Confident	87.9	Confident	94 Å²	94	69 Å²	69	57%	0.57	40%	0.398	S	S	*	.	H	α-helix	trans	-68.6	-46.6	177.9	171.5	0	0	0	0	111	M393 A399 G400 L407	M393-V397 WeakPolarHBondContact O-CB 3.35Å; M393-V397 VanDerWaalsContact O-CG2 3.28Å; M393-V397 WeakPolarHBondContact O-CG2 3.45Å; M393-V397 PolarHBondContact O-N 3.46Å; V397-A399 VanDerWaalsContact C-N 3.31Å; V397-A399 PolarHBondContact O-N 3.47Å; V397-G400 PolarHBondContact O-N 2.82Å; V397-L407 HydrophobicContact CG2-CD1 4.33Å; V397-L407 HydrophobicContact CG2-CD2 4.37Å
398	S	87.4	Confident	87.3	Confident	100 Å²	100	73.2 Å²	73.2	70%	0.699	41%	0.407	S	S	*	.	H	α-helix	trans	-65.4	-32.2	-179.9	56.7	0	0	0	0	113.4	E394 M395 G400	E394-S398 VanDerWaalsContact O-CB 3.3Å; E394-S398 WeakPolarHBondContact O-CB 3.33Å; E394-S398 PolarHBondContact O-N 3.32Å; E394-S398 PolarHBondContact O-OG 2.98Å; M395-S398 WeakPolarHBondContact CA-OG 3.34Å; M395-S398 PolarHBondContact O-OG 3.19Å; M395-S398 VanDerWaalsContact O-OG 3.06Å; S398-G400 VanDerWaalsContact C-N 3.26Å; S398-G400 PolarHBondContact O-N 2.86Å
399	A	83	Confident	86.8	Confident	58 Å²	58	75.2 Å²	75.2	48%	0.479	41%	0.413	S	S	.	.	H	α-helix	trans	-69.9	-22	173.6	0	0	0	0	0	113.2	M395 V397 R401	M395-A399 VanDerWaalsContact O-CB 3.26Å; M395-A399 WeakPolarHBondContact O-CB 3.39Å; M395-A399 PolarHBondContact O-N 3.43Å; V397-A399 VanDerWaalsContact C-N 3.31Å; V397-A399 PolarHBondContact O-N 3.47Å; A399-R401 WeakPolarHBondContact O-CG 3.32Å; A399-R401 PolarHBondContact O-N 2.96Å
400	G	75	Confident	86.5	Confident	69 Å²	69	74.9 Å²	74.9	71%	0.711	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.3	17.4	175.7	0	0	0	0	0	115.7	A396 V397 S398	A396-G400 PolarHBondContact O-N 3.35Å; V397-G400 PolarHBondContact O-N 2.82Å; S398-G400 VanDerWaalsContact C-N 3.26Å; S398-G400 PolarHBondContact O-N 2.86Å
401	R	70.1	Confident	86.4	Confident	221 Å²	221	70.5 Å²	70.5	83%	0.834	40%	0.396	S	S	*	.			trans	-107.4	-12.7	-169.2	-74	174.4	-168.5	-168.9	1.7	115.5	A399	A399-R401 WeakPolarHBondContact O-CG 3.32Å; A399-R401 PolarHBondContact O-N 2.96Å
402	L	79.3	Confident	86.3	Confident	42 Å²	42	66.1 Å²	66.1	22%	0.22	38%	0.375	C	S	.	.	S	Bend	trans	-98.4	128.1	-174	-81.8	149.9	0	0	0	111.2	A396 M406 L407 E492	A396-L402 HydrophobicContact CB-CD1 3.49Å; A396-L402 VanDerWaalsContact CB-CD1 3.49Å; L402-M406 HydrophobicContact CD2-CB 3.86Å; L402-M406 HydrophobicContact CD2-CE 3.97Å; L402-M406 HydrophobicContact CD2-CG 4.48Å; L402-M406 HydrophobicContact CD2-SD 3.82Å; L402-L407 HydrophobicContact CB-CD2 4.12Å; L402-L407 HydrophobicContact CB-CG 4.22Å; L402-E492 HydrophobicContact CD1-CB 3.72Å; L402-E492 HydrophobicContact CD1-CG 4.36Å; L402-E492 HydrophobicContact CD2-CG 4.43Å
403	P	82.8	Confident	86.3	Confident	70 Å²	70	68.5 Å²	68.5	46%	0.455	39%	0.392	S	S	.	.			trans	-58.6	150.7	173.6	-24.1	33.3	0	0	0	112.3	A405 M406 L407	P403-A405 PolarHBondContact O-N 2.77Å; P403-A405 VanDerWaalsContact O-N 3.14Å; P403-M406 HydrophobicContact CG-SD 4.4Å; P403-M406 PolarHBondContact O-N 2.8Å; P403-L407 PolarHBondContact O-N 3.28Å; P403-L407 VanDerWaalsContact O-N 3.14Å
404	P	81.9	Confident	86.3	Confident	109 Å²	109	68.8 Å²	68.8	71%	0.708	40%	0.399	S	S	*	.	H	α-helix	trans	-53.4	-37.6	179.8	-27.9	34.9	0	0	0	114.2	M406 L407 K408	P404-M406 VanDerWaalsContact C-N 3.33Å; P404-M406 PolarHBondContact O-N 3.03Å; P404-L407 PolarHBondContact O-N 3Å; P404-K408 PolarHBondContact O-N 2.95Å
405	A	78.3	Confident	86.2	Confident	50 Å²	50	66.8 Å²	66.8	41%	0.413	40%	0.4	S	S	.	.	H	α-helix	trans	-62.3	-37.6	176.8	0	0	0	0	0	112.8	P403 R409	P403-A405 PolarHBondContact O-N 2.77Å; P403-A405 VanDerWaalsContact O-N 3.14Å; A405-R409 WeakPolarHBondContact O-CG 3.44Å; A405-R409 PolarHBondContact O-N 3.01Å
406	M	82.6	Confident	86.2	Confident	39 Å²	39	65.5 Å²	65.5	19%	0.192	39%	0.392	C	S	.	.	H	α-helix	trans	-72.2	-37.9	176	-66.4	-170.3	79.4	0	0	111.5	L402 P403 P404 K408 R409 L410 E465 A466	L402-M406 HydrophobicContact CD2-CB 3.86Å; L402-M406 HydrophobicContact CD2-CE 3.97Å; L402-M406 HydrophobicContact CD2-CG 4.48Å; L402-M406 HydrophobicContact CD2-SD 3.82Å; P403-M406 HydrophobicContact CG-SD 4.4Å; P403-M406 PolarHBondContact O-N 2.8Å; P404-M406 VanDerWaalsContact C-N 3.33Å; P404-M406 PolarHBondContact O-N 3.03Å; M406-K408 VanDerWaalsContact C-N 3.32Å; M406-K408 PolarHBondContact O-N 3.28Å; M406-R409 PolarHBondContact O-N 3.43Å; M406-L410 WeakPolarHBondContact O-CB 3.45Å; M406-L410 PolarHBondContact O-N 2.88Å; M406-E465 HydrophobicContact CE-CB 4.23Å; M406-E465 HydrophobicContact CE-CG 4.14Å; M406-A466 HydrophobicContact CB-CB 4.08Å; M406-A466 HydrophobicContact CE-CB 3.82Å
407	L	86.7	Confident	86.4	Confident	36 Å²	36	65.4 Å²	65.4	19%	0.188	39%	0.391	C	S	.	.	H	α-helix	trans	-60.9	-40.7	173.8	-69.6	174.2	0	0	0	112	M393 A396 V397 L402 P403 P404 R409 L410 S411	M393-L407 HydrophobicContact CE-CB 4.4Å; M393-L407 HydrophobicContact CE-CD2 4.46Å; A396-L407 HydrophobicContact CB-CD2 3.67Å; V397-L407 HydrophobicContact CG2-CD1 4.33Å; V397-L407 HydrophobicContact CG2-CD2 4.37Å; L402-L407 HydrophobicContact CB-CD2 4.12Å; L402-L407 HydrophobicContact CB-CG 4.22Å; P403-L407 PolarHBondContact O-N 3.28Å; P403-L407 VanDerWaalsContact O-N 3.14Å; P404-L407 PolarHBondContact O-N 3Å; L407-R409 VanDerWaalsContact C-N 3.31Å; L407-R409 PolarHBondContact O-N 3.02Å; L407-L410 PolarHBondContact O-N 2.81Å; L407-S411 PolarHBondContact O-N 3.31Å; L407-S411 VanDerWaalsContact O-N 3.13Å
408	K	85.3	Confident	86.6	Confident	139 Å²	139	64.2 Å²	64.2	60%	0.604	39%	0.386	S	S	*	.	H	α-helix	trans	-62.3	-39.3	176.3	-170.3	175.3	-178.6	-180	0	111.8	P404 M406 S411	P404-K408 PolarHBondContact O-N 2.95Å; M406-K408 VanDerWaalsContact C-N 3.32Å; M406-K408 PolarHBondContact O-N 3.28Å; K408-S411 PolarHBondContact O-OG 2.94Å
409	R	87.2	Confident	86.8	Confident	51 Å²	51	63.4 Å²	63.4	19%	0.192	38%	0.381	C	S	.	.	H	α-helix	trans	-69	-38.2	176	-68.8	174.5	176.8	173.1	2.3	111.7	A405 M406 L407 S411 A466 R467 A594	A405-R409 WeakPolarHBondContact O-CG 3.44Å; A405-R409 PolarHBondContact O-N 3.01Å; M406-R409 PolarHBondContact O-N 3.43Å; L407-R409 VanDerWaalsContact C-N 3.31Å; L407-R409 PolarHBondContact O-N 3.02Å; R409-S411 VanDerWaalsContact C-N 3.3Å; R409-S411 PolarHBondContact O-N 2.94Å; R409-A466 CarbonylContact C-O 3.51Å; R409-A466 WeakPolarHBondContact CB-O 3.45Å; R409-A466 VanDerWaalsContact O-O 3.08Å; R409-R467 HydrophobicContact CB-CG 4.18Å; R409-R467 VanDerWaalsContact NH1-NH2 3.11Å; R409-A594 PolarHBondContact NH2-O 3.12Å
410	L	91.6	Very high	87.2	Confident	1 Å²	1	61.1 Å²	61.1	1%	0.005	36%	0.361	C	S	.	.	H	α-helix	trans	-66.1	-31.1	179.4	-178.1	60.9	0	0	0	112.7	N389 M393 A396 M406 L407 L412 A466 P468 E492 A493	N389-L410 PolarHBondContact ND2-O 3.5Å; M393-L410 HydrophobicContact SD-CB 3.9Å; M393-L410 HydrophobicContact SD-CD2 3.77Å; M393-L410 HydrophobicContact SD-CG 3.68Å; A396-L410 HydrophobicContact CB-CD2 3.9Å; M406-L410 WeakPolarHBondContact O-CB 3.45Å; M406-L410 PolarHBondContact O-N 2.88Å; L407-L410 PolarHBondContact O-N 2.81Å; L410-L412 PolarHBondContact O-N 3.14Å; L410-A466 WeakPolarHBondContact CA-O 3.28Å; L410-A466 HydrophobicContact CB-CB 4.38Å; L410-A466 PolarHBondContact N-O 2.97Å; L410-P468 HydrophobicContact CD1-CG 4.45Å; L410-P468 WeakPolarHBondContact O-CG 3.35Å; L410-E492 HydrophobicContact CD1-CG 4.34Å; L410-E492 HydrophobicContact CD2-CB 4.45Å; L410-E492 HydrophobicContact CD2-CG 4.5Å; L410-A493 HydrophobicContact CD1-CB 3.58Å
411	S	93.3	Very high	88.1	Confident	39 Å²	39	58.1 Å²	58.1	27%	0.273	33%	0.329	S	S	.	.			trans	-66.7	130.8	-176.9	73.9	0	0	0	0	113.2	L407 K408 R409 K416	L407-S411 PolarHBondContact O-N 3.31Å; L407-S411 VanDerWaalsContact O-N 3.13Å; K408-S411 PolarHBondContact O-OG 2.94Å; R409-S411 VanDerWaalsContact C-N 3.3Å; R409-S411 PolarHBondContact O-N 2.94Å; S411-K416 PolarHBondContact O-NZ 2.93Å
412	L	95	Very high	89.1	Confident	15 Å²	15	51.1 Å²	51.1	8%	0.079	31%	0.31	C	S	.	.			trans	-105.4	140.5	166.9	-68.5	-178.9	0	0	0	110.2	I385 L386 N389 L410 K416 P468 D469 T496 L500	I385-L412 HydrophobicContact CG2-CD1 3.84Å; L386-L412 HydrophobicContact CD2-CB 4.31Å; N389-L412 HydrophobicContact CB-CB 4.27Å; N389-L412 PolarHBondContact OD1-N 3.02Å; L410-L412 PolarHBondContact O-N 3.14Å; L412-K416 HydrophobicContact CD2-CD 4.44Å; L412-P468 HydrophobicContact CD1-CB 4.2Å; L412-P468 HydrophobicContact CD1-CG 4.03Å; L412-P468 HydrophobicContact CD2-CG 4.08Å; L412-P468 HydrophobicContact CG-CG 3.83Å; L412-D469 HydrophobicContact CD2-CB 3.89Å; L412-T496 HydrophobicContact CD1-CG2 3.5Å; L412-L500 HydrophobicContact CD1-CD1 4.46Å
413	S	94.5	Very high	89.6	Confident	52 Å²	52	49.4 Å²	49.4	36%	0.364	30%	0.303	S	S	.	.			trans	-125.7	162.2	176.2	74.7	0	0	0	0	110.2	A415 K416 L417	S413-A415 PolarHBondContact O-N 2.91Å; S413-K416 PolarHBondContact O-N 2.89Å; S413-K416 VanDerWaalsContact O-N 3.16Å; S413-K416 PolarHBondContact OG-N 3.13Å; S413-L417 PolarHBondContact O-N 3.43Å
414	S	95	Very high	90.1	Very high	51 Å²	51	46.1 Å²	46.1	36%	0.357	28%	0.282	S	S	.	.	H	α-helix	trans	-52.9	-43.9	173.4	-65.4	0	0	0	0	112	K382 L417 S418	K382-S414 VanDerWaalsContact CE-CB 3.49Å; K382-S414 WeakPolarHBondContact CE-OG 3.35Å; K382-S414 PolarHBondContact NZ-OG 3.27Å; S414-L417 PolarHBondContact O-N 3.2Å; S414-S418 PolarHBondContact O-N 3.38Å; S414-S418 PolarHBondContact O-OG 3.45Å
415	A	92.4	Very high	90.6	Very high	66 Å²	66	45.9 Å²	45.9	55%	0.545	27%	0.267	S	S	.	.	H	α-helix	trans	-64.1	-42.7	179.4	0	0	0	0	0	111.9	S413 L417 S418 S419	S413-A415 PolarHBondContact O-N 2.91Å; A415-L417 PolarHBondContact O-N 3.15Å; A415-S418 PolarHBondContact O-N 3.38Å; A415-S419 PolarHBondContact O-N 3.23Å; A415-S419 PolarHBondContact O-OG 3.41Å
416	K	90.6	Very high	91.1	Very high	67 Å²	67	47.1 Å²	47.1	29%	0.291	26%	0.264	S	S	.	.	H	α-helix	trans	-60.4	-43.5	175.6	-77.7	-172.7	179.5	-178	0	111.7	S411 L412 S413 S419 L420	S411-K416 PolarHBondContact O-NZ 2.93Å; L412-K416 HydrophobicContact CD2-CD 4.44Å; S413-K416 PolarHBondContact O-N 2.89Å; S413-K416 VanDerWaalsContact O-N 3.16Å; S413-K416 PolarHBondContact OG-N 3.13Å; K416-S419 PolarHBondContact O-N 2.9Å; K416-L420 WeakPolarHBondContact O-CB 3.38Å; K416-L420 VanDerWaalsContact O-CG 3.26Å; K416-L420 WeakPolarHBondContact O-CG 3.46Å; K416-L420 PolarHBondContact O-N 3.13Å
417	L	94.5	Very high	91.4	Very high	4 Å²	4	45.4 Å²	45.4	2%	0.021	26%	0.255	C	S	.	.	H	α-helix	trans	-64.1	-40.8	177.7	-68.7	174.4	0	0	0	112	K382 I385 L386 S413 S414 A415 L420 A421	K382-L417 HydrophobicContact CB-CD1 4.48Å; K382-L417 HydrophobicContact CG-CD1 3.91Å; I385-L417 HydrophobicContact CB-CD1 4.39Å; I385-L417 HydrophobicContact CD1-CD2 4.38Å; I385-L417 HydrophobicContact CG2-CD1 4.16Å; I385-L417 HydrophobicContact CG2-CD2 4.11Å; L386-L417 HydrophobicContact CD2-CD1 4Å; L386-L417 HydrophobicContact CG-CD1 4.1Å; S413-L417 PolarHBondContact O-N 3.43Å; S414-L417 PolarHBondContact O-N 3.2Å; A415-L417 PolarHBondContact O-N 3.15Å; L417-L420 HydrophobicContact CD2-CD1 4.25Å; L417-L420 PolarHBondContact O-N 3.1Å; L417-A421 PolarHBondContact O-N 2.97Å
418	S	92.8	Very high	91.6	Very high	69 Å²	69	43.8 Å²	43.8	48%	0.483	25%	0.247	S	C	.	.	H	α-helix	trans	-61.1	-46.5	173	-65.3	0	0	0	0	112.1	S414 A415 L420 A421 V422	S414-S418 PolarHBondContact O-N 3.38Å; S414-S418 PolarHBondContact O-OG 3.45Å; A415-S418 PolarHBondContact O-N 3.38Å; S418-L420 VanDerWaalsContact C-N 3.33Å; S418-L420 PolarHBondContact O-N 2.98Å; S418-A421 PolarHBondContact O-N 3.26Å; S418-V422 WeakPolarHBondContact O-CG2 3.26Å; S418-V422 PolarHBondContact O-N 3.38Å
419	S	90.2	Very high	91.6	Very high	83 Å²	83	41.9 Å²	41.9	58%	0.58	25%	0.248	S	C	*	.	H	α-helix	trans	-61.5	-40.3	176	-64.1	0	0	0	0	112.3	A415 K416 V422 G423	A415-S419 PolarHBondContact O-N 3.23Å; A415-S419 PolarHBondContact O-OG 3.41Å; K416-S419 PolarHBondContact O-N 2.9Å; S419-V422 PolarHBondContact O-N 2.7Å; S419-G423 PolarHBondContact O-N 3.42Å
420	L	91.1	Very high	91.3	Very high	11 Å²	11	42.2 Å²	42.2	6%	0.058	26%	0.261	C	S	.	.	H	α-helix	trans	-61.1	-46.9	174.9	-76.3	169.2	0	0	0	111.6	L378 K416 L417 S418 V422 G423 L424 D469 P472 Q473	L378-L420 HydrophobicContact CD1-CB 4.25Å; K416-L420 WeakPolarHBondContact O-CB 3.38Å; K416-L420 VanDerWaalsContact O-CG 3.26Å; K416-L420 WeakPolarHBondContact O-CG 3.46Å; K416-L420 PolarHBondContact O-N 3.13Å; L417-L420 HydrophobicContact CD2-CD1 4.25Å; L417-L420 PolarHBondContact O-N 3.1Å; S418-L420 VanDerWaalsContact C-N 3.33Å; S418-L420 PolarHBondContact O-N 2.98Å; L420-V422 VanDerWaalsContact C-N 3.3Å; L420-V422 PolarHBondContact O-N 2.88Å; L420-G423 PolarHBondContact O-N 3.46Å; L420-L424 VanDerWaalsContact O-CD1 3.24Å; L420-L424 WeakPolarHBondContact O-CD1 3.37Å; L420-L424 PolarHBondContact O-N 3.49Å; L420-D469 HydrophobicContact CD1-CB 3.96Å; L420-D469 HydrophobicContact CD2-CB 4.47Å; L420-P472 HydrophobicContact CD1-CG 4.21Å; L420-P472 HydrophobicContact CD2-CG 4.41Å; L420-Q473 HydrophobicContact CD2-CG 3.39Å
421	A	93.8	Very high	90.8	Very high	5 Å²	5	42.2 Å²	42.2	4%	0.041	26%	0.261	C	S	.	.	H	α-helix	trans	-61	-39.1	178	0	0	0	0	0	112.2	A375 L417 S418 R425	A375-A421 HydrophobicContact CB-CB 4.21Å; L417-A421 PolarHBondContact O-N 2.97Å; S418-A421 PolarHBondContact O-N 3.26Å; A421-R425 WeakPolarHBondContact O-CG 3.5Å; A421-R425 PolarHBondContact O-N 2.9Å
422	V	91.9	Very high	90.1	Very high	74 Å²	74	45 Å²	45	45%	0.448	27%	0.27	S	S	.	.	H	α-helix	trans	-64.5	-48.4	174.4	173	0	0	0	0	111.2	S418 S419 L420 L424 R425 Q426	S418-V422 WeakPolarHBondContact O-CG2 3.26Å; S418-V422 PolarHBondContact O-N 3.38Å; S419-V422 PolarHBondContact O-N 2.7Å; L420-V422 VanDerWaalsContact C-N 3.3Å; L420-V422 PolarHBondContact O-N 2.88Å; V422-L424 VanDerWaalsContact C-N 3.31Å; V422-L424 PolarHBondContact O-N 3Å; V422-R425 PolarHBondContact O-N 2.72Å; V422-R425 VanDerWaalsContact O-N 3.15Å; V422-Q426 PolarHBondContact O-N 3.29Å; V422-Q426 VanDerWaalsContact O-N 3.13Å
423	G	90.4	Very high	89.3	Confident	6 Å²	6	48.9 Å²	48.9	6%	0.062	29%	0.291	C	S	.	.	H	α-helix	trans	-59.7	-39.6	177.9	0	0	0	0	0	112.7	S419 L420 R425 Q426 I427	S419-G423 PolarHBondContact O-N 3.42Å; L420-G423 PolarHBondContact O-N 3.46Å; G423-R425 PolarHBondContact O-N 3.44Å; G423-Q426 WeakPolarHBondContact O-CB 3.49Å; G423-Q426 PolarHBondContact O-N 2.95Å; G423-I427 WeakPolarHBondContact O-CG1 3.46Å; G423-I427 PolarHBondContact O-N 2.96Å
424	L	93	Very high	88.9	Confident	2 Å²	2	46.4 Å²	46.4	1%	0.01	27%	0.274	C	S	.	.	H	α-helix	trans	-60.7	-42.4	174.6	-95.6	64.6	0	0	0	112.4	I371 L374 A375 L378 L420 V422 Q426 I427 A428 A476	I371-L424 HydrophobicContact CG2-CB 3.96Å; I371-L424 HydrophobicContact CG2-CG 4.1Å; I371-L424 WeakPolarHBondContact CG2-O 3.43Å; L374-L424 HydrophobicContact CB-CD2 4.11Å; L374-L424 HydrophobicContact CD2-CD2 3.82Å; L374-L424 HydrophobicContact CG-CD2 3.7Å; A375-L424 HydrophobicContact CB-CB 3.86Å; A375-L424 HydrophobicContact CB-CD2 4.29Å; L378-L424 HydrophobicContact CD1-CD2 4.03Å; L420-L424 VanDerWaalsContact O-CD1 3.24Å; L420-L424 WeakPolarHBondContact O-CD1 3.37Å; L420-L424 PolarHBondContact O-N 3.49Å; V422-L424 VanDerWaalsContact C-N 3.31Å; V422-L424 PolarHBondContact O-N 3Å; L424-Q426 VanDerWaalsContact C-N 3.31Å; L424-Q426 PolarHBondContact O-N 2.73Å; L424-I427 PolarHBondContact O-N 3.3Å; L424-A428 WeakPolarHBondContact O-CB 3.16Å; L424-A428 PolarHBondContact O-N 3.13Å; L424-A476 HydrophobicContact CD1-CB 4.06Å; L424-A476 HydrophobicContact CD2-CB 4.27Å; L424-A476 HydrophobicContact CG-CB 3.68Å
425	R	91.9	Very high	88.7	Confident	104 Å²	104	44.9 Å²	44.9	39%	0.392	26%	0.262	S	S	.	.	H	α-helix	trans	-65.5	-33.6	176.5	-67.1	178.6	-161.1	-90.6	-0.5	112.4	A375 E376 A421 V422 G423 A428 T429	A375-R425 HydrophobicContact CB-CG 4.17Å; E376-R425 IonicContact OE1-NH1 3.38Å; A421-R425 WeakPolarHBondContact O-CG 3.5Å; A421-R425 PolarHBondContact O-N 2.9Å; V422-R425 PolarHBondContact O-N 2.72Å; V422-R425 VanDerWaalsContact O-N 3.15Å; G423-R425 PolarHBondContact O-N 3.44Å; R425-A428 WeakPolarHBondContact O-CB 3.21Å; R425-A428 PolarHBondContact O-N 3.47Å; R425-T429 PolarHBondContact O-N 2.88Å; R425-T429 VanDerWaalsContact O-N 3.16Å; R425-T429 PolarHBondContact O-OG1 3.13Å
426	Q	89.3	Confident	88.5	Confident	75 Å²	75	43.9 Å²	43.9	35%	0.35	26%	0.258	S	S	.	.	H	α-helix	trans	-65.9	-45.5	173.2	-69	173.1	-24.7	0	0	111.4	V422 G423 L424 A428 T429 A430 Y716	V422-Q426 PolarHBondContact O-N 3.29Å; V422-Q426 VanDerWaalsContact O-N 3.13Å; G423-Q426 WeakPolarHBondContact O-CB 3.49Å; G423-Q426 PolarHBondContact O-N 2.95Å; L424-Q426 VanDerWaalsContact C-N 3.31Å; L424-Q426 PolarHBondContact O-N 2.73Å; Q426-A428 VanDerWaalsContact C-N 3.29Å; Q426-A428 PolarHBondContact O-N 2.99Å; Q426-T429 WeakPolarHBondContact O-CB 3.37Å; Q426-T429 PolarHBondContact O-N 3.25Å; Q426-T429 VanDerWaalsContact O-N 3.12Å; Q426-A430 PolarHBondContact O-N 3.36Å; Q426-A430 VanDerWaalsContact O-N 3.13Å; Q426-Y716 VanDerWaalsContact OE1-CE2 3.29Å
427	I	89.4	Confident	88.5	Confident	3 Å²	3	44 Å²	44	2%	0.015	26%	0.257	C	S	.	.	H	α-helix	trans	-58.1	-44.3	174	-63	161.2	0	0	0	110.6	I371 G423 L424 T429 A430 A431 A476 L477 A480 A722	I371-I427 HydrophobicContact CD1-CG2 4.22Å; G423-I427 WeakPolarHBondContact O-CG1 3.46Å; G423-I427 PolarHBondContact O-N 2.96Å; L424-I427 PolarHBondContact O-N 3.3Å; I427-T429 PolarHBondContact O-N 3.38Å; I427-A430 PolarHBondContact O-N 2.76Å; I427-A430 VanDerWaalsContact O-N 3.14Å; I427-A431 WeakPolarHBondContact O-CB 3.32Å; I427-A431 PolarHBondContact O-N 3.19Å; I427-A476 HydrophobicContact CD1-CB 3.88Å; I427-L477 HydrophobicContact CD1-CD2 4.02Å; I427-L477 HydrophobicContact CD1-CG 3.97Å; I427-L477 HydrophobicContact CG1-CD2 4Å; I427-L477 HydrophobicContact CG2-CD2 4.12Å; I427-A480 HydrophobicContact CG2-CB 3.51Å; I427-A722 HydrophobicContact CD1-CB 3.68Å; I427-A722 HydrophobicContact CG1-CB 4.15Å
428	A	89.9	Confident	88.5	Confident	3 Å²	3	46.2 Å²	46.2	3%	0.025	27%	0.27	C	S	.	.	H	α-helix	trans	-58.8	-33.8	178.8	0	0	0	0	0	112.3	S368 I371 L424 R425 Q426	S368-A428 VanDerWaalsContact CB-O 3.24Å; S368-A428 WeakPolarHBondContact CB-O 3.4Å; S368-A428 PolarHBondContact OG-O 2.94Å; I371-A428 HydrophobicContact CB-CB 4.02Å; I371-A428 HydrophobicContact CG2-CB 3.94Å; L424-A428 WeakPolarHBondContact O-CB 3.16Å; L424-A428 PolarHBondContact O-N 3.13Å; R425-A428 WeakPolarHBondContact O-CB 3.21Å; R425-A428 PolarHBondContact O-N 3.47Å; Q426-A428 VanDerWaalsContact C-N 3.29Å; Q426-A428 PolarHBondContact O-N 2.99Å
429	T	86.3	Confident	88.5	Confident	99 Å²	99	45.9 Å²	45.9	61%	0.607	27%	0.265	S	S	*	.	H	α-helix	trans	-70.5	-45.8	175.6	-53.5	0	0	0	0	110.9	R425 Q426 I427 A431	R425-T429 PolarHBondContact O-N 2.88Å; R425-T429 VanDerWaalsContact O-N 3.16Å; R425-T429 PolarHBondContact O-OG1 3.13Å; Q426-T429 WeakPolarHBondContact O-CB 3.37Å; Q426-T429 PolarHBondContact O-N 3.25Å; Q426-T429 VanDerWaalsContact O-N 3.12Å; I427-T429 PolarHBondContact O-N 3.38Å; T429-A431 PolarHBondContact O-N 3.23Å
430	A	80	Confident	88.7	Confident	58 Å²	58	48 Å²	48	48%	0.479	26%	0.26	S	S	.	.	H	α-helix	trans	-69	-18.1	179.4	0	0	0	0	0	114.3	Q426 I427 Q432 L739	Q426-A430 PolarHBondContact O-N 3.36Å; Q426-A430 VanDerWaalsContact O-N 3.13Å; I427-A430 PolarHBondContact O-N 2.76Å; I427-A430 VanDerWaalsContact O-N 3.14Å; A430-Q432 VanDerWaalsContact C-N 3.29Å; A430-Q432 PolarHBondContact O-N 3.28Å; A430-L739 HydrophobicContact CB-CD2 4.43Å
431	A	81.8	Confident	89	Confident	1 Å²	1	51.4 Å²	51.4	1%	0.008	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-11.3	-175.7	0	0	0	0	0	115.3	I427 T429 S434 A480	I427-A431 WeakPolarHBondContact O-CB 3.32Å; I427-A431 PolarHBondContact O-N 3.19Å; T429-A431 PolarHBondContact O-N 3.23Å; A431-S434 PolarHBondContact O-OG 3.06Å; A431-A480 HydrophobicContact CB-CB 3.6Å
432	Q	78.9	Confident	89.2	Confident	97 Å²	97	52 Å²	52	45%	0.453	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-49.5	-172.5	-80.9	176	17.1	0	0	112.7	C365 A430	C365-Q432 WeakPolarHBondContact SG-CG 3.43Å; A430-Q432 VanDerWaalsContact C-N 3.29Å; A430-Q432 PolarHBondContact O-N 3.28Å
433	D	77.9	Confident	89.5	Confident	96 Å²	96	52.5 Å²	52.5	51%	0.513	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.5	18.7	-169.7	-55.6	-31.7	0	0	0	112.7
434	S	86.3	Confident	89.8	Confident	1 Å²	1	53 Å²	53	1%	0.007	27%	0.271	C	S	.	.	S	Bend	trans	-83.5	-47.7	-171.2	63.9	0	0	0	0	113.3	A431 T454 A480 L743	A431-S434 PolarHBondContact O-OG 3.06Å; S434-T454 WeakPolarHBondContact O-CB 3.42Å; S434-T454 PolarHBondContact O-OG1 3.13Å; S434-A480 PolarHBondContact OG-O 3.14Å; S434-L743 WeakPolarHBondContact O-CD1 3.41Å
435	V	89.9	Confident	90.1	Very high	18 Å²	18	52.9 Å²	52.9	11%	0.109	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	128.7	-178	-179.3	0	0	0	0	110.2	P456 S481 L743	V435-P456 HydrophobicContact CG1-CG 4.25Å; V435-S481 WeakPolarHBondContact CG2-O 3.24Å; V435-L743 HydrophobicContact CG2-CD2 3.94Å
436	G	89.6	Confident	90.2	Very high	45 Å²	45	51.6 Å²	51.6	46%	0.464	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.4	6	-179.1	0	0	0	0	0	114.2	V438 T454	G436-V438 PolarHBondContact O-N 2.92Å; G436-T454 WeakPolarHBondContact CA-O 3.44Å; G436-T454 PolarHBondContact N-O 3.17Å; G436-T454 PolarHBondContact N-OG1 2.69Å; G436-T454 VanDerWaalsContact N-OG1 3.15Å
437	R	89.9	Confident	90.5	Very high	70 Å²	70	50.6 Å²	50.6	26%	0.264	29%	0.286	S	S	.	.			trans	-64.3	129.9	179	-173.1	178.3	67.5	-152.2	-7.7	110.8	V439 V453 T454 E740	R437-V439 PolarHBondContact O-N 3.39Å; R437-V453 CarbonylContact O-C 3.6Å; R437-V453 WeakPolarHBondContact O-CA 3.37Å; R437-T454 HydrophobicContact CB-CG2 4.1Å; R437-T454 WeakPolarHBondContact CB-OG1 3.34Å; R437-T454 PolarHBondContact N-OG1 3.09Å; R437-T454 PolarHBondContact O-N 2.81Å; R437-E740 IonicContact CZ-OE1 3.27Å; R437-E740 IonicContact CZ-OE2 3.94Å; R437-E740 IonicContact NH1-OE1 3.76Å; R437-E740 PolarHBondContact NH1-OE1 3.44Å; R437-E740 IonicContact NH1-OE2 3.53Å; R437-E740 IonicContact NH2-OE1 3.84Å; R437-E740 PolarHBondContact NH2-OE1 3.04Å; R437-E740 IonicContact NH2-OE2 3.58Å; R437-E740 PolarHBondContact NH2-OE2 3.39Å
438	V	93.3	Very high	90.9	Very high	50 Å²	50	51.1 Å²	51.1	30%	0.303	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	112.6	174.5	-170.9	0	0	0	0	109.5	G436 R440 R441 E451 V453 V774	G436-V438 PolarHBondContact O-N 2.92Å; V438-R440 WeakPolarHBondContact CG1-O 3.45Å; V438-R441 HydrophobicContact CG1-CB 4.21Å; V438-E451 HydrophobicContact CG1-CG 4.32Å; V438-V453 HydrophobicContact CG2-CG1 4.13Å; V438-V774 HydrophobicContact CB-CG1 4.23Å; V438-V774 HydrophobicContact CG1-CG1 3.64Å
439	V	94.1	Very high	91.2	Very high	62 Å²	62	53.4 Å²	53.4	38%	0.376	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	-40	178.2	-174.2	0	0	0	0	110.6	R437 Q452 T454 T745	R437-V439 PolarHBondContact O-N 3.39Å; V439-Q452 PolarHBondContact N-O 3.21Å; V439-T454 HydrophobicContact CG2-CG2 3.75Å; V439-T745 HydrophobicContact CG2-CG2 4.33Å
440	R	94.9	Very high	91.8	Very high	128 Å²	128	50.5 Å²	50.5	48%	0.483	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	145	-179.6	-56.5	-177.6	70.3	92.2	-0.8	109.8	V438 E451 Q452	V438-R440 WeakPolarHBondContact CG1-O 3.45Å; R440-E451 CarbonylContact O-C 3.57Å; R440-E451 WeakPolarHBondContact O-CA 3.42Å; R440-Q452 HydrophobicContact CB-CB 4.05Å; R440-Q452 PolarHBondContact N-O 3.43Å; R440-Q452 PolarHBondContact O-N 3.44Å
441	R	97.2	Very high	92.6	Very high	82 Å²	82	48.5 Å²	48.5	31%	0.309	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	131.8	172	-168.1	172.7	-178.6	-179.8	2.7	110	V438 E449 L450 E451 I772 V774	V438-R441 HydrophobicContact CG1-CB 4.21Å; R441-E449 IonicContact CZ-OE2 2.71Å; R441-E449 IonicContact NE-OE2 4Å; R441-E449 IonicContact NH2-OE2 2.77Å; R441-E449 PolarHBondContact NH2-OE2 3.34Å; R441-L450 CarbonylContact C-O 3.58Å; R441-L450 WeakPolarHBondContact CA-O 3.38Å; R441-E451 HydrophobicContact CB-CG 4.25Å; R441-E451 HydrophobicContact CG-CG 3.67Å; R441-E451 IonicContact CZ-OE1 3.39Å; R441-E451 IonicContact NE-OE1 3.57Å; R441-E451 PolarHBondContact NE-OE1 3.01Å; R441-E451 VanDerWaalsContact NE-OE1 3.12Å; R441-E451 IonicContact NH1-OE1 3.37Å; R441-E451 IonicContact NH2-OE1 2.7Å; R441-I772 HydrophobicContact CB-CB 4.11Å; R441-I772 HydrophobicContact CG-CB 3.86Å; R441-I772 HydrophobicContact CG-CD1 3.97Å; R441-I772 HydrophobicContact CG-CG1 4.43Å; R441-I772 HydrophobicContact CG-CG2 4.33Å; R441-I772 PolarHBondContact O-N 2.73Å; R441-V774 HydrophobicContact CB-CG1 3.89Å
442	T	97.7	Very high	93.4	Very high	18 Å²	18	49.9 Å²	49.9	11%	0.11	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	127.3	-177	-54.2	0	0	0	0	109.6	V444 L450 E770 N771	T442-V444 PolarHBondContact O-N 3.04Å; T442-L450 PolarHBondContact N-O 2.88Å; T442-L450 PolarHBondContact O-N 2.85Å; T442-E770 CarbonylContact C-O 3.52Å; T442-E770 WeakPolarHBondContact CA-O 3.36Å; T442-N771 PolarHBondContact OG1-OD1 3.45Å
443	R	97.8	Very high	94.2	Very high	84 Å²	84	45.9 Å²	45.9	32%	0.317	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	104.1	163.1	-173.6	175.3	-63.6	121.2	3.3	108.1	A445 L768 H769 E770 I772	R443-A445 WeakPolarHBondContact CG-O 3.1Å; R443-L768 HydrophobicContact CG-CD1 4.23Å; R443-H769 CarbonylContact O-C 3.23Å; R443-H769 WeakPolarHBondContact O-CA 3.36Å; R443-H769 PolarHBondContact O-N 3.36Å; R443-H769 VanDerWaalsContact O-N 3.11Å; R443-E770 HydrophobicContact CB-CB 4.25Å; R443-E770 IonicContact CZ-OE2 3.53Å; R443-E770 PolarHBondContact N-O 3.24Å; R443-E770 IonicContact NH1-OE2 3.8Å; R443-E770 PolarHBondContact NH1-OE2 3.39Å; R443-E770 PolarHBondContact O-N 3.02Å; R443-I772 HydrophobicContact CB-CD1 3.96Å; R443-I772 HydrophobicContact CB-CG1 4.28Å
444	V	97.8	Very high	95	Very high	16 Å²	16	41.5 Å²	41.5	10%	0.097	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	-41.7	-179	177.8	0	0	0	0	109.9	T442 L448 L450 L749 Y767 L768 H769	T442-V444 PolarHBondContact O-N 3.04Å; V444-L448 HydrophobicContact CB-CD2 4.07Å; V444-L448 HydrophobicContact CB-CG 4.14Å; V444-L448 HydrophobicContact CG1-CD2 3.88Å; V444-L448 HydrophobicContact CG1-CG 4.49Å; V444-L448 PolarHBondContact N-O 3.15Å; V444-L450 HydrophobicContact CG2-CB 3.59Å; V444-L450 HydrophobicContact CG2-CD2 4.2Å; V444-L749 HydrophobicContact CG2-CD1 4.34Å; V444-Y767 HydrophobicContact CG1-CD1 3.65Å; V444-Y767 HydrophobicContact CG1-CE1 3.9Å; V444-Y767 CarbonylContact O-C 3.55Å; V444-Y767 WeakPolarHBondContact O-CA 3.44Å; V444-L768 PolarHBondContact O-N 3.29Å; V444-H769 PolarHBondContact O-N 3.41Å
445	A	97.5	Very high	95.4	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	171.3	175.8	0	0	0	0	0	109.7	R443 G447 L448 F759	R443-A445 WeakPolarHBondContact CG-O 3.1Å; A445-G447 PolarHBondContact O-N 3.1Å; A445-L448 HydrophobicContact CB-CB 4.03Å; A445-L448 HydrophobicContact CB-CD2 4.34Å; A445-L448 PolarHBondContact N-O 3.2Å; A445-L448 PolarHBondContact O-N 3.49Å; A445-F759 HydrophobicContact CB-CE1 3.53Å; A445-F759 HydrophobicContact CB-CZ 3.64Å
446	P	95.3	Very high	95.7	Very high	77 Å²	77	43.3 Å²	43.3	50%	0.5	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	123.6	172.4	-22.6	33.6	0	0	0	110.8	L448 H754 L768	P446-L448 VanDerWaalsContact C-N 3.26Å; P446-L448 PolarHBondContact O-N 3.21Å; P446-H754 PolarHBondContact O-NE2 3.49Å; P446-H754 VanDerWaalsContact O-NE2 3.12Å; P446-L768 HydrophobicContact CG-CD1 3.93Å
447	G	94.9	Very high	96	Very high	55 Å²	55	42.8 Å²	42.8	57%	0.567	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.7	7	-177.9	0	0	0	0	0	115.6	A445 G751 H754	A445-G447 PolarHBondContact O-N 3.1Å; G447-G751 WeakPolarHBondContact O-CA 3.45Å; G447-H754 PolarHBondContact O-CE1 3.35Å; G447-H754 VanDerWaalsContact O-CE1 3.24Å
448	L	97.6	Very high	96.3	Very high	13 Å²	13	40.7 Å²	40.7	7%	0.068	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	102.8	178.5	-171.6	64.7	0	0	0	110.9	V444 A445 P446 L749 R750 H754 F759	V444-L448 HydrophobicContact CB-CD2 4.07Å; V444-L448 HydrophobicContact CB-CG 4.14Å; V444-L448 HydrophobicContact CG1-CD2 3.88Å; V444-L448 HydrophobicContact CG1-CG 4.49Å; V444-L448 PolarHBondContact N-O 3.15Å; A445-L448 HydrophobicContact CB-CB 4.03Å; A445-L448 HydrophobicContact CB-CD2 4.34Å; A445-L448 PolarHBondContact N-O 3.2Å; A445-L448 PolarHBondContact O-N 3.49Å; P446-L448 VanDerWaalsContact C-N 3.26Å; P446-L448 PolarHBondContact O-N 3.21Å; L448-L749 HydrophobicContact CD1-CD1 3.75Å; L448-L749 HydrophobicContact CD1-CD2 4.06Å; L448-L749 HydrophobicContact CD1-CG 3.81Å; L448-L749 HydrophobicContact CG-CD1 3.91Å; L448-R750 WeakPolarHBondContact CA-O 3.07Å; L448-H754 HydrophobicContact CD1-CB 4.2Å; L448-H754 HydrophobicContact CD2-CB 4.41Å; L448-F759 HydrophobicContact CD2-CE2 4.41Å; L448-F759 HydrophobicContact CD2-CZ 4.08Å
449	E	97.6	Very high	96.6	Very high	51 Å²	51	38.3 Å²	38.3	24%	0.238	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	130.5	-175.4	-63.2	-163.7	167	0	0	112	R441 L749 R750	R441-E449 IonicContact CZ-OE2 2.71Å; R441-E449 IonicContact NE-OE2 4Å; R441-E449 IonicContact NH2-OE2 2.77Å; R441-E449 PolarHBondContact NH2-OE2 3.34Å; E449-L749 WeakPolarHBondContact O-CA 3.45Å; E449-R750 PolarHBondContact N-O 2.89Å; E449-R750 PolarHBondContact O-N 3.34Å
450	L	98.1	Very high	96.7	Very high	38 Å²	38	35.5 Å²	35.5	20%	0.199	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	130.2	178.9	-179.1	65.1	0	0	0	110.1	R441 T442 V444 W747 I748 L749	R441-L450 CarbonylContact C-O 3.58Å; R441-L450 WeakPolarHBondContact CA-O 3.38Å; T442-L450 PolarHBondContact N-O 2.88Å; T442-L450 PolarHBondContact O-N 2.85Å; V444-L450 HydrophobicContact CG2-CB 3.59Å; V444-L450 HydrophobicContact CG2-CD2 4.2Å; L450-W747 HydrophobicContact CD1-CB 4.24Å; L450-W747 HydrophobicContact CD1-CD2 4.43Å; L450-W747 HydrophobicContact CD1-CE3 3.63Å; L450-W747 HydrophobicContact CD1-CZ3 4.37Å; L450-W747 HydrophobicContact CD2-CE3 3.65Å; L450-W747 HydrophobicContact CD2-CZ3 3.59Å; L450-W747 HydrophobicContact CG-CE3 3.54Å; L450-W747 HydrophobicContact CG-CZ3 3.77Å; L450-I748 WeakPolarHBondContact CA-O 3.48Å; L450-L749 HydrophobicContact CB-CD1 3.84Å; L450-L749 HydrophobicContact CD1-CB 4.05Å; L450-L749 HydrophobicContact CD1-CD1 4Å; L450-L749 HydrophobicContact CG-CD1 4.48Å
451	E	97.4	Very high	96.8	Very high	17 Å²	17	29.4 Å²	29.4	8%	0.079	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	141.3	174.5	-75.1	169.5	-173.3	0	0	110.4	V438 R440 R441 V453 W747 I748 R750	V438-E451 HydrophobicContact CG1-CG 4.32Å; R440-E451 CarbonylContact O-C 3.57Å; R440-E451 WeakPolarHBondContact O-CA 3.42Å; R441-E451 HydrophobicContact CB-CG 4.25Å; R441-E451 HydrophobicContact CG-CG 3.67Å; R441-E451 IonicContact CZ-OE1 3.39Å; R441-E451 IonicContact NE-OE1 3.57Å; R441-E451 PolarHBondContact NE-OE1 3.01Å; R441-E451 VanDerWaalsContact NE-OE1 3.12Å; R441-E451 IonicContact NH1-OE1 3.37Å; R441-E451 IonicContact NH2-OE1 2.7Å; E451-V453 HydrophobicContact CB-CG1 4.37Å; E451-W747 CarbonylContact O-C 3.22Å; E451-W747 WeakPolarHBondContact O-CA 3.34Å; E451-I748 PolarHBondContact N-O 3.28Å; E451-I748 PolarHBondContact O-N 2.87Å; E451-R750 IonicContact OE1-NH1 3.5Å; E451-R750 IonicContact OE2-CZ 3.61Å; E451-R750 IonicContact OE2-NH1 3.61Å; E451-R750 PolarHBondContact OE2-NH1 3.32Å; E451-R750 IonicContact OE2-NH2 2.76Å; E451-R750 PolarHBondContact OE2-NH2 3.49Å
452	Q	97.6	Very high	96.8	Very high	29 Å²	29	25.6 Å²	25.6	14%	0.136	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	121.2	164.6	-171.6	179.1	24.2	0	0	107.8	V439 R440 T745 K746 W747	V439-Q452 PolarHBondContact N-O 3.21Å; R440-Q452 HydrophobicContact CB-CB 4.05Å; R440-Q452 PolarHBondContact N-O 3.43Å; R440-Q452 PolarHBondContact O-N 3.44Å; Q452-T745 HydrophobicContact CG-CG2 4.27Å; Q452-T745 PolarHBondContact NE2-OG1 2.91Å; Q452-K746 WeakPolarHBondContact CA-O 3.24Å; Q452-W747 HydrophobicContact CB-CD2 4.08Å; Q452-W747 HydrophobicContact CB-CE3 3.77Å; Q452-W747 HydrophobicContact CB-CH2 4.06Å; Q452-W747 HydrophobicContact CB-CZ2 4.3Å; Q452-W747 HydrophobicContact CB-CZ3 3.79Å; Q452-W747 HydrophobicContact CG-CD2 4.22Å; Q452-W747 HydrophobicContact CG-CE3 4.42Å; Q452-W747 HydrophobicContact CG-CZ2 4.26Å
453	V	95.2	Very high	96.6	Very high	13 Å²	13	25 Å²	25	8%	0.079	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	150.9	-177.4	-57.5	0	0	0	0	111.8	R437 V438 E451 V455 T745 K746 I748	R437-V453 CarbonylContact O-C 3.6Å; R437-V453 WeakPolarHBondContact O-CA 3.37Å; V438-V453 HydrophobicContact CG2-CG1 4.13Å; E451-V453 HydrophobicContact CB-CG1 4.37Å; V453-V455 HydrophobicContact CG2-CG1 4.23Å; V453-T745 CarbonylContact O-C 3.5Å; V453-T745 VanDerWaalsContact O-CA 3.22Å; V453-T745 WeakPolarHBondContact O-CA 3.42Å; V453-K746 PolarHBondContact N-O 3.12Å; V453-K746 PolarHBondContact O-N 2.87Å; V453-I748 HydrophobicContact CG1-CD1 4.31Å; V453-I748 HydrophobicContact CG2-CD1 3.68Å; V453-I748 HydrophobicContact CG2-CG1 4.3Å
454	T	94.8	Very high	96.3	Very high	5 Å²	5	21.2 Å²	21.2	3%	0.031	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	140.8	171	60.3	0	0	0	0	110.8	S434 G436 R437 V439 T744	S434-T454 WeakPolarHBondContact O-CB 3.42Å; S434-T454 PolarHBondContact O-OG1 3.13Å; G436-T454 WeakPolarHBondContact CA-O 3.44Å; G436-T454 PolarHBondContact N-O 3.17Å; G436-T454 PolarHBondContact N-OG1 2.69Å; G436-T454 VanDerWaalsContact N-OG1 3.15Å; R437-T454 HydrophobicContact CB-CG2 4.1Å; R437-T454 WeakPolarHBondContact CB-OG1 3.34Å; R437-T454 PolarHBondContact N-OG1 3.09Å; R437-T454 PolarHBondContact O-N 2.81Å; V439-T454 HydrophobicContact CG2-CG2 3.75Å; T454-T744 CarbonylContact C-O 3.4Å; T454-T744 WeakPolarHBondContact CA-O 3.29Å
455	V	95.3	Very high	96	Very high	31 Å²	31	22.4 Å²	22.4	19%	0.188	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	155.7	175.9	-64	0	0	0	0	109.5	V453 L743 T744 K746	V453-V455 HydrophobicContact CG2-CG1 4.23Å; V455-L743 CarbonylContact O-C 3.59Å; V455-L743 WeakPolarHBondContact O-CA 3.48Å; V455-T744 HydrophobicContact CG2-CG2 3.63Å; V455-T744 PolarHBondContact N-O 2.71Å; V455-T744 PolarHBondContact O-N 2.81Å; V455-K746 HydrophobicContact CG1-CB 4.11Å; V455-K746 HydrophobicContact CG2-CB 4.19Å
456	P	95.9	Very high	95.5	Very high	25 Å²	25	22.4 Å²	22.4	16%	0.162	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.2	152.4	173.1	-16.2	29.4	0	0	0	110.9	A357 V435 G458 S481 G482 N483	A357-P456 HydrophobicContact CB-CG 3.77Å; V435-P456 HydrophobicContact CG1-CG 4.25Å; P456-G458 VanDerWaalsContact C-N 3.32Å; P456-S481 WeakPolarHBondContact CB-O 3.31Å; P456-S481 VanDerWaalsContact CG-O 3.3Å; P456-S481 WeakPolarHBondContact CG-O 3.37Å; P456-G482 WeakPolarHBondContact CB-O 3.48Å; P456-G482 WeakPolarHBondContact CG-O 3.22Å; P456-N483 WeakPolarHBondContact CB-OD1 3.29Å
457	I	97.2	Very high	95.2	Very high	34 Å²	34	20.8 Å²	20.8	17%	0.174	13%	0.125	C	C	.	.			trans	-62.5	-42.6	171.9	-72.5	172.8	0	0	0	110.5	L460 N483 D537 L538 L742	I457-L460 HydrophobicContact CB-CD2 4.34Å; I457-L460 HydrophobicContact CG2-CD2 4.25Å; I457-N483 PolarHBondContact N-OD1 3.46Å; I457-D537 HydrophobicContact CG2-CB 3.65Å; I457-L538 HydrophobicContact CD1-CD2 3.89Å; I457-L538 HydrophobicContact CG2-CB 4.16Å; I457-L742 WeakPolarHBondContact CG1-O 3.28Å; I457-L742 PolarHBondContact N-O 2.88Å
458	G	96.2	Very high	95.1	Very high	26 Å²	26	18.1 Å²	18.1	27%	0.268	10%	0.098	S	C	.	.			trans	137.7	-105.9	-179.6	0	0	0	0	0	111.6	P456 N483 A484 D537	P456-G458 VanDerWaalsContact C-N 3.32Å; G458-N483 PolarHBondContact N-OD1 3.26Å; G458-N483 WeakPolarHBondContact O-CA 3.3Å; G458-N483 PolarHBondContact O-OD1 2.77Å; G458-A484 PolarHBondContact O-N 2.78Å; G458-D537 WeakPolarHBondContact CA-OD2 3.31Å
459	V	97.6	Very high	94.9	Very high	1 Å²	1	19.2 Å²	19.2	1%	0.006	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	120.9	179.4	-172.5	0	0	0	0	110.5	T346 R350 A484 L486 T535 D537 L538	T346-V459 HydrophobicContact CG2-CG1 4.38Å; R350-V459 HydrophobicContact CB-CG2 3.76Å; R350-V459 HydrophobicContact CG-CG2 3.76Å; V459-A484 HydrophobicContact CB-CB 4.37Å; V459-A484 HydrophobicContact CG1-CB 4.26Å; V459-A484 HydrophobicContact CG2-CB 4.06Å; V459-L486 HydrophobicContact CG1-CD1 4.28Å; V459-L486 HydrophobicContact CG1-CG 4.15Å; V459-T535 VanDerWaalsContact CB-O 3.32Å; V459-T535 WeakPolarHBondContact CB-O 3.43Å; V459-T535 VanDerWaalsContact CG2-O 3.3Å; V459-T535 WeakPolarHBondContact CG2-O 3.47Å; V459-D537 PolarHBondContact N-OD2 3.43Å; V459-D537 PolarHBondContact O-N 3.5Å; V459-L538 PolarHBondContact O-N 2.93Å
460	L	97.7	Very high	94.6	Very high	3 Å²	3	16.9 Å²	16.9	2%	0.016	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	138.8	177.1	-51	178.7	0	0	0	110.1	I457 A478 N483 A484 L485 L486 L538 L742	I457-L460 HydrophobicContact CB-CD2 4.34Å; I457-L460 HydrophobicContact CG2-CD2 4.25Å; L460-A478 HydrophobicContact CD1-CB 4.17Å; L460-N483 HydrophobicContact CD1-CB 3.74Å; L460-N483 HydrophobicContact CG-CB 3.86Å; L460-A484 PolarHBondContact N-O 2.94Å; L460-L485 HydrophobicContact CB-CD1 3.93Å; L460-L485 CarbonylContact O-C 3.32Å; L460-L485 WeakPolarHBondContact O-CA 3.09Å; L460-L486 PolarHBondContact O-N 3.25Å; L460-L538 WeakPolarHBondContact CA-O 3.4Å; L460-L538 HydrophobicContact CD2-CB 3.82Å; L460-L538 HydrophobicContact CD2-CD2 4.07Å; L460-L538 HydrophobicContact CD2-CG 4.48Å; L460-L742 HydrophobicContact CD1-CD1 4.07Å; L460-L742 HydrophobicContact CD1-CD2 4.03Å; L460-L742 HydrophobicContact CD1-CG 4.49Å
461	L	96.9	Very high	94.5	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	112.6	166.8	171.4	62.1	0	0	0	109.8	I463 L486 K488 L529 I536 L538 I539 I540	L461-I463 HydrophobicContact CD1-CG1 4.17Å; L461-I463 HydrophobicContact CD2-CD1 3.97Å; L461-I463 HydrophobicContact CD2-CG1 4.22Å; L461-I463 HydrophobicContact CG-CD1 4.2Å; L461-I463 HydrophobicContact CG-CG1 3.96Å; L461-L486 WeakPolarHBondContact CA-O 3.39Å; L461-L486 HydrophobicContact CB-CB 4.48Å; L461-L486 HydrophobicContact CD1-CB 3.77Å; L461-K488 HydrophobicContact CD1-CB 4.42Å; L461-L529 HydrophobicContact CD1-CD1 4.29Å; L461-L529 HydrophobicContact CD2-CB 3.62Å; L461-L529 HydrophobicContact CD2-CD1 4.26Å; L461-L529 HydrophobicContact CD2-CG 4.49Å; L461-I536 HydrophobicContact CB-CD1 4.11Å; L461-I536 HydrophobicContact CB-CG2 3.68Å; L461-I536 HydrophobicContact CD2-CD1 3.86Å; L461-L538 PolarHBondContact N-O 3.32Å; L461-I539 HydrophobicContact CB-CG1 4.26Å; L461-I539 HydrophobicContact CD2-CG1 4.18Å; L461-I539 CarbonylContact O-C 3.6Å; L461-I539 WeakPolarHBondContact O-CA 3.4Å; L461-I540 PolarHBondContact O-N 3.47Å
462	V	96.1	Very high	94.4	Very high	1 Å²	1	14.3 Å²	14.3	1%	0.006	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	118.1	175.4	-178.2	0	0	0	0	109.2	F464 V474 L485 L486 L487 K488 I540	V462-F464 HydrophobicContact CG1-CD1 4.04Å; V462-V474 HydrophobicContact CB-CG2 4.36Å; V462-V474 HydrophobicContact CG1-CG1 4.19Å; V462-V474 HydrophobicContact CG1-CG2 4.17Å; V462-V474 HydrophobicContact CG2-CB 4.14Å; V462-V474 HydrophobicContact CG2-CG1 4.32Å; V462-V474 HydrophobicContact CG2-CG2 4.19Å; V462-L485 HydrophobicContact CB-CD1 4.19Å; V462-L485 HydrophobicContact CG2-CD1 3.5Å; V462-L486 PolarHBondContact N-O 3.45Å; V462-L487 HydrophobicContact CB-CD2 4.29Å; V462-K488 PolarHBondContact O-N 3.42Å; V462-I540 WeakPolarHBondContact CA-O 3.47Å; V462-I540 HydrophobicContact CG2-CB 4.17Å; V462-I540 HydrophobicContact CG2-CD1 4.32Å
463	I	94.5	Very high	94.2	Very high	6 Å²	6	15 Å²	15	3%	0.031	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	120	177.5	-58.1	158.7	0	0	0	107.9	L461 K488 V526 I539 I540 P541 R542 L547 I551	L461-I463 HydrophobicContact CD1-CG1 4.17Å; L461-I463 HydrophobicContact CD2-CD1 3.97Å; L461-I463 HydrophobicContact CD2-CG1 4.22Å; L461-I463 HydrophobicContact CG-CD1 4.2Å; L461-I463 HydrophobicContact CG-CG1 3.96Å; I463-K488 WeakPolarHBondContact CA-O 3.42Å; I463-K488 HydrophobicContact CG1-CB 4.09Å; I463-K488 HydrophobicContact CG2-CG 4.45Å; I463-V526 HydrophobicContact CD1-CG1 3.78Å; I463-V526 HydrophobicContact CG2-CG2 4.27Å; I463-I539 HydrophobicContact CD1-CG2 3.97Å; I463-I540 PolarHBondContact N-O 3.49Å; I463-I540 VanDerWaalsContact N-O 3.11Å; I463-P541 CarbonylContact O-C 3.58Å; I463-P541 WeakPolarHBondContact O-CA 3.3Å; I463-R542 PolarHBondContact O-N 2.92Å; I463-L547 HydrophobicContact CG2-CD2 4.49Å; I463-I551 HydrophobicContact CB-CD1 3.96Å; I463-I551 HydrophobicContact CD1-CD1 3.62Å; I463-I551 HydrophobicContact CD1-CG1 4.13Å; I463-I551 HydrophobicContact CG1-CD1 4.41Å; I463-I551 HydrophobicContact CG2-CD1 3.92Å
464	F	92.3	Very high	94.2	Very high	5 Å²	5	14.5 Å²	14.5	2%	0.022	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	147.2	-172.6	62.1	-81.2	0	0	0	113.3	V462 R467 C470 L471 L487 K488 G489 G490 R542	V462-F464 HydrophobicContact CG1-CD1 4.04Å; F464-R467 WeakPolarHBondContact CD2-O 3.4Å; F464-C470 HydrophobicContact CD2-CB 4.38Å; F464-L471 HydrophobicContact CZ-CB 4.21Å; F464-L471 HydrophobicContact CZ-CD1 4.32Å; F464-L487 HydrophobicContact CE1-CB 4.24Å; F464-L487 HydrophobicContact CE1-CD2 3.9Å; F464-K488 PolarHBondContact N-O 3.31Å; F464-G489 CarbonylContact O-C 3.55Å; F464-G489 WeakPolarHBondContact O-CA 3.29Å; F464-G490 PolarHBondContact O-N 3.32Å; F464-R542 VanDerWaalsContact CA-O 3.28Å; F464-R542 WeakPolarHBondContact CA-O 3.34Å; F464-R542 HydrophobicContact CB-CB 3.89Å
465	E	89.9	Confident	94.3	Very high	40 Å²	40	14.3 Å²	14.3	19%	0.187	8%	0.079	C	C	.	.	S	Bend	trans	-124.5	138.1	179.2	61.6	-179.5	176.7	0	0	112.2	M406 R467 R542 G543 S544 L547	M406-E465 HydrophobicContact CE-CB 4.23Å; M406-E465 HydrophobicContact CE-CG 4.14Å; E465-R467 WeakPolarHBondContact O-CG 3.33Å; E465-R467 PolarHBondContact O-N 3.49Å; E465-R542 PolarHBondContact N-O 2.88Å; E465-G543 WeakPolarHBondContact OE1-CA 3.36Å; E465-S544 WeakPolarHBondContact OE1-CB 3.42Å; E465-S544 PolarHBondContact OE1-N 3.31Å; E465-S544 PolarHBondContact OE1-OG 2.79Å; E465-L547 HydrophobicContact CB-CD2 4.49Å; E465-L547 HydrophobicContact CG-CD2 4.03Å
466	A	87.1	Confident	94.3	Very high	1 Å²	1	12.9 Å²	12.9	1%	0.008	7%	0.071	C	C	.	.	S	Bend	trans	47.8	32.3	177	0	0	0	0	0	114.2	M406 R409 L410 E492	M406-A466 HydrophobicContact CB-CB 4.08Å; M406-A466 HydrophobicContact CE-CB 3.82Å; R409-A466 CarbonylContact C-O 3.51Å; R409-A466 WeakPolarHBondContact CB-O 3.45Å; R409-A466 VanDerWaalsContact O-O 3.08Å; L410-A466 WeakPolarHBondContact CA-O 3.28Å; L410-A466 HydrophobicContact CB-CB 4.38Å; L410-A466 PolarHBondContact N-O 2.97Å; A466-E492 WeakPolarHBondContact CA-OE1 3.4Å; A466-E492 HydrophobicContact CB-CG 4.18Å; A466-E492 PolarHBondContact N-OE1 3.33Å
467	R	89.6	Confident	94.2	Very high	42 Å²	42	11.8 Å²	11.8	16%	0.158	6%	0.063	C	C	.	.			trans	-137.5	72.6	-177.1	-72.5	-175.3	-178.3	99.4	-17.4	111.5	R409 F464 E465 D469 C470 R542	R409-R467 HydrophobicContact CB-CG 4.18Å; R409-R467 VanDerWaalsContact NH1-NH2 3.11Å; F464-R467 WeakPolarHBondContact CD2-O 3.4Å; E465-R467 WeakPolarHBondContact O-CG 3.33Å; E465-R467 PolarHBondContact O-N 3.49Å; R467-D469 VanDerWaalsContact C-OD1 3.24Å; R467-D469 WeakPolarHBondContact CA-OD1 3.37Å; R467-D469 WeakPolarHBondContact CB-OD1 3.34Å; R467-D469 PolarHBondContact O-N 3.09Å; R467-C470 HydrophobicContact CB-CB 4.13Å; R467-C470 WeakPolarHBondContact O-CB 3.28Å; R467-C470 PolarHBondContact O-N 3.46Å; R467-R542 PolarHBondContact NH1-O 3.16Å
468	P	93.4	Very high	94.2	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-24.5	179.4	26.4	-33.8	0	0	0	113	L410 L412 C470 L471 P472 A493 T496 L500	L410-P468 HydrophobicContact CD1-CG 4.45Å; L410-P468 WeakPolarHBondContact O-CG 3.35Å; L412-P468 HydrophobicContact CD1-CB 4.2Å; L412-P468 HydrophobicContact CD1-CG 4.03Å; L412-P468 HydrophobicContact CD2-CG 4.08Å; L412-P468 HydrophobicContact CG-CG 3.83Å; P468-C470 PolarHBondContact O-N 3.33Å; P468-L471 PolarHBondContact O-N 2.84Å; P468-P472 WeakPolarHBondContact O-CD 3.25Å; P468-A493 HydrophobicContact CB-CB 4.43Å; P468-T496 HydrophobicContact CB-CG2 3.52Å; P468-T496 HydrophobicContact CG-CG2 4.09Å; P468-L500 HydrophobicContact CB-CD1 4.2Å; P468-L500 WeakPolarHBondContact O-CD1 3.14Å
469	D	92	Very high	94.1	Very high	36 Å²	36	9.1 Å²	9.1	19%	0.193	4%	0.043	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-27.1	173.2	56.4	-27.1	0	0	0	113.8	L412 L420 R467 L471 P472 Q473	L412-D469 HydrophobicContact CD2-CB 3.89Å; L420-D469 HydrophobicContact CD1-CB 3.96Å; L420-D469 HydrophobicContact CD2-CB 4.47Å; R467-D469 VanDerWaalsContact C-OD1 3.24Å; R467-D469 WeakPolarHBondContact CA-OD1 3.37Å; R467-D469 WeakPolarHBondContact CB-OD1 3.34Å; R467-D469 PolarHBondContact O-N 3.09Å; D469-L471 VanDerWaalsContact C-N 3.3Å; D469-L471 PolarHBondContact O-N 2.89Å; D469-P472 WeakPolarHBondContact O-CD 3.47Å; D469-P472 WeakPolarHBondContact O-CG 3.47Å; D469-Q473 WeakPolarHBondContact O-CG 3.42Å
470	C	92	Very high	93.9	Very high	2 Å²	2	9 Å²	9	1%	0.014	4%	0.043	C	C	.	.	H	α-helix	trans	-61.5	-38.2	176.5	-170.8	0	0	0	0	111.9	F464 R467 P468 Q473 V474	F464-C470 HydrophobicContact CD2-CB 4.38Å; R467-C470 HydrophobicContact CB-CB 4.13Å; R467-C470 WeakPolarHBondContact O-CB 3.28Å; R467-C470 PolarHBondContact O-N 3.46Å; P468-C470 PolarHBondContact O-N 3.33Å; C470-Q473 WeakPolarHBondContact O-CB 3.26Å; C470-Q473 PolarHBondContact O-N 3.46Å; C470-Q473 VanDerWaalsContact O-N 3.13Å; C470-V474 WeakPolarHBondContact O-CG2 3.13Å; C470-V474 PolarHBondContact O-N 3.25Å
471	L	95.4	Very high	93.7	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-55.1	-56	-172.5	-171.5	162.7	0	0	0	113.4	F464 P468 D469 Q473 V474 S475 L487 N497 L500 H501	F464-L471 HydrophobicContact CZ-CB 4.21Å; F464-L471 HydrophobicContact CZ-CD1 4.32Å; P468-L471 PolarHBondContact O-N 2.84Å; D469-L471 VanDerWaalsContact C-N 3.3Å; D469-L471 PolarHBondContact O-N 2.89Å; L471-Q473 VanDerWaalsContact C-N 3.3Å; L471-Q473 PolarHBondContact O-N 2.96Å; L471-V474 WeakPolarHBondContact O-CG2 3.41Å; L471-S475 VanDerWaalsContact O-CB 3.26Å; L471-S475 WeakPolarHBondContact O-CB 3.36Å; L471-S475 PolarHBondContact O-N 3.11Å; L471-S475 PolarHBondContact O-OG 3.04Å; L471-L487 HydrophobicContact CD1-CD1 4.17Å; L471-L487 HydrophobicContact CD2-CD1 4.16Å; L471-L487 HydrophobicContact CG-CD1 3.78Å; L471-N497 HydrophobicContact CD1-CB 4.01Å; L471-L500 HydrophobicContact CD1-CB 4.18Å; L471-L500 HydrophobicContact CD2-CB 3.93Å; L471-L500 HydrophobicContact CG-CB 4.49Å; L471-H501 HydrophobicContact CD1-CB 4.36Å
472	P	95.9	Very high	93.6	Very high	1 Å²	1	9 Å²	9	1%	0.006	4%	0.043	C	C	.	.	H	α-helix	trans	-64.5	-32.7	178	23.8	-33.9	0	0	0	112.8	L378 L420 P468 D469 A476	L378-P472 HydrophobicContact CD1-CB 4.05Å; L378-P472 HydrophobicContact CD1-CG 4.46Å; L420-P472 HydrophobicContact CD1-CG 4.21Å; L420-P472 HydrophobicContact CD2-CG 4.41Å; P468-P472 WeakPolarHBondContact O-CD 3.25Å; D469-P472 WeakPolarHBondContact O-CD 3.47Å; D469-P472 WeakPolarHBondContact O-CG 3.47Å; P472-A476 VanDerWaalsContact O-CB 3.26Å; P472-A476 WeakPolarHBondContact O-CB 3.31Å; P472-A476 PolarHBondContact O-N 3.23Å
473	Q	93.2	Very high	93.6	Very high	43 Å²	43	9 Å²	9	20%	0.201	4%	0.043	C	C	.	.	H	α-helix	trans	-65	-53.4	178.5	-64.6	176.2	-16.8	0	0	111.6	L420 D469 C470 L471 S475 A476 L477	L420-Q473 HydrophobicContact CD2-CG 3.39Å; D469-Q473 WeakPolarHBondContact O-CG 3.42Å; C470-Q473 WeakPolarHBondContact O-CB 3.26Å; C470-Q473 PolarHBondContact O-N 3.46Å; C470-Q473 VanDerWaalsContact O-N 3.13Å; L471-Q473 VanDerWaalsContact C-N 3.3Å; L471-Q473 PolarHBondContact O-N 2.96Å; Q473-S475 VanDerWaalsContact C-N 3.29Å; Q473-S475 PolarHBondContact O-N 2.89Å; Q473-A476 PolarHBondContact O-N 2.72Å; Q473-L477 WeakPolarHBondContact O-CG 3.36Å; Q473-L477 PolarHBondContact O-N 2.79Å
474	V	95.2	Very high	93.8	Very high	3 Å²	3	8.8 Å²	8.8	2%	0.018	4%	0.042	C	C	.	.	H	α-helix	trans	-69	-31.6	-178.9	-61.1	0	0	0	0	111.8	V462 C470 L471 A478 L485 L487 V724	V462-V474 HydrophobicContact CB-CG2 4.36Å; V462-V474 HydrophobicContact CG1-CG1 4.19Å; V462-V474 HydrophobicContact CG1-CG2 4.17Å; V462-V474 HydrophobicContact CG2-CB 4.14Å; V462-V474 HydrophobicContact CG2-CG1 4.32Å; V462-V474 HydrophobicContact CG2-CG2 4.19Å; C470-V474 WeakPolarHBondContact O-CG2 3.13Å; C470-V474 PolarHBondContact O-N 3.25Å; L471-V474 WeakPolarHBondContact O-CG2 3.41Å; V474-A478 VanDerWaalsContact O-CB 3.24Å; V474-A478 WeakPolarHBondContact O-CB 3.34Å; V474-A478 PolarHBondContact O-N 2.99Å; V474-L485 HydrophobicContact CB-CD2 4.5Å; V474-L485 HydrophobicContact CG2-CD2 4.05Å; V474-L487 HydrophobicContact CG2-CD2 3.64Å; V474-V724 HydrophobicContact CG1-CB 4.49Å; V474-V724 HydrophobicContact CG1-CG1 4.24Å
475	S	96.8	Very high	94	Very high	1 Å²	1	8.6 Å²	8.6	1%	0.007	4%	0.041	C	C	.	.	H	α-helix	trans	-64.6	-46.3	173.3	-58.2	0	0	0	0	110.9	L471 Q473 A478 V479	L471-S475 VanDerWaalsContact O-CB 3.26Å; L471-S475 WeakPolarHBondContact O-CB 3.36Å; L471-S475 PolarHBondContact O-N 3.11Å; L471-S475 PolarHBondContact O-OG 3.04Å; Q473-S475 VanDerWaalsContact C-N 3.29Å; Q473-S475 PolarHBondContact O-N 2.89Å; S475-A478 PolarHBondContact O-N 2.96Å; S475-V479 WeakPolarHBondContact O-CB 3.26Å; S475-V479 WeakPolarHBondContact O-CG2 3.46Å; S475-V479 PolarHBondContact O-N 3.22Å
476	A	95.4	Very high	94.3	Very high	1 Å²	1	6.7 Å²	6.7	1%	0.008	3%	0.033	C	C	.	.	H	α-helix	trans	-64.1	-41.4	177.3	0	0	0	0	0	112.7	I371 L424 I427 P472 Q473 V479 A480	I371-A476 HydrophobicContact CG1-CB 4.36Å; I371-A476 HydrophobicContact CG2-CB 3.89Å; L424-A476 HydrophobicContact CD1-CB 4.06Å; L424-A476 HydrophobicContact CD2-CB 4.27Å; L424-A476 HydrophobicContact CG-CB 3.68Å; I427-A476 HydrophobicContact CD1-CB 3.88Å; P472-A476 VanDerWaalsContact O-CB 3.26Å; P472-A476 WeakPolarHBondContact O-CB 3.31Å; P472-A476 PolarHBondContact O-N 3.23Å; Q473-A476 PolarHBondContact O-N 2.72Å; A476-V479 PolarHBondContact O-N 3.03Å; A476-A480 VanDerWaalsContact O-CB 3.23Å; A476-A480 WeakPolarHBondContact O-CB 3.45Å; A476-A480 PolarHBondContact O-N 2.93Å
477	L	94.9	Very high	94.8	Very high	1 Å²	1	6.6 Å²	6.6	1%	0.005	3%	0.032	C	C	.	.	H	α-helix	trans	-66.2	-42.8	176.3	-73.9	169.5	0	0	0	112.1	I427 Q473 A480 S481 A722 E723 V724 L739 L742	I427-L477 HydrophobicContact CD1-CD2 4.02Å; I427-L477 HydrophobicContact CD1-CG 3.97Å; I427-L477 HydrophobicContact CG1-CD2 4Å; I427-L477 HydrophobicContact CG2-CD2 4.12Å; Q473-L477 WeakPolarHBondContact O-CG 3.36Å; Q473-L477 PolarHBondContact O-N 2.79Å; L477-A480 PolarHBondContact O-N 3.24Å; L477-S481 WeakPolarHBondContact O-CB 3.44Å; L477-S481 PolarHBondContact O-N 2.93Å; L477-S481 PolarHBondContact O-OG 2.91Å; L477-A722 HydrophobicContact CD1-CB 4.21Å; L477-E723 VanDerWaalsContact CD1-C 3.5Å; L477-V724 HydrophobicContact CB-CG1 4.13Å; L477-V724 HydrophobicContact CD1-CB 4.43Å; L477-V724 HydrophobicContact CD1-CG1 3.51Å; L477-V724 HydrophobicContact CG-CG1 4.45Å; L477-L739 HydrophobicContact CD2-CB 4.45Å; L477-L742 HydrophobicContact CB-CD1 3.8Å
478	A	95.9	Very high	94.9	Very high	0 Å²	0	5.5 Å²	5.5	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-62	-45.2	174.8	0	0	0	0	0	111	L460 V474 S475 S481 G482 N483 L485	L460-A478 HydrophobicContact CD1-CB 4.17Å; V474-A478 VanDerWaalsContact O-CB 3.24Å; V474-A478 WeakPolarHBondContact O-CB 3.34Å; V474-A478 PolarHBondContact O-N 2.99Å; S475-A478 PolarHBondContact O-N 2.96Å; A478-S481 CarbonylContact O-C 3.6Å; A478-S481 PolarHBondContact O-N 3.01Å; A478-S481 PolarHBondContact O-OG 2.83Å; A478-G482 PolarHBondContact O-N 3.09Å; A478-N483 HydrophobicContact CB-CB 4.35Å; A478-N483 PolarHBondContact O-N 3.07Å; A478-L485 HydrophobicContact CB-CB 3.91Å; A478-L485 HydrophobicContact CB-CD2 3.99Å; A478-L485 HydrophobicContact CB-CG 4.39Å
479	V	94.9	Very high	94.8	Very high	4 Å²	4	5.8 Å²	5.8	2%	0.024	3%	0.031	C	C	.	.	H	α-helix	trans	-61.1	-47.7	175.6	170.5	0	0	0	0	111.2	L356 R367 I370 I371 S475 A476 S481 G482 L508	L356-V479 HydrophobicContact CD1-CG1 4.33Å; L356-V479 HydrophobicContact CD2-CG2 4.33Å; R367-V479 HydrophobicContact CB-CG1 4.22Å; R367-V479 WeakPolarHBondContact CD-O 3.18Å; I370-V479 HydrophobicContact CB-CG1 4.19Å; I370-V479 HydrophobicContact CD1-CG1 4.46Å; I370-V479 HydrophobicContact CG2-CG1 4.01Å; I371-V479 HydrophobicContact CD1-CB 4.43Å; I371-V479 HydrophobicContact CD1-CG1 4.07Å; I371-V479 HydrophobicContact CG1-CB 4.21Å; I371-V479 HydrophobicContact CG1-CG1 3.81Å; S475-V479 WeakPolarHBondContact O-CB 3.26Å; S475-V479 WeakPolarHBondContact O-CG2 3.46Å; S475-V479 PolarHBondContact O-N 3.22Å; A476-V479 PolarHBondContact O-N 3.03Å; V479-S481 VanDerWaalsContact C-N 3.28Å; V479-S481 PolarHBondContact O-N 2.96Å; V479-G482 PolarHBondContact O-N 3.46Å; V479-G482 VanDerWaalsContact O-N 3.15Å; V479-L508 HydrophobicContact CG2-CD2 3.8Å
480	A	93	Very high	94.6	Very high	0 Å²	0	4.7 Å²	4.7	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-60.9	-38.6	-179.4	0	0	0	0	0	112.7	R367 I371 I427 A431 S434 A476 L477 G482 L739	R367-A480 PolarHBondContact NE-O 2.98Å; I371-A480 HydrophobicContact CD1-CB 3.65Å; I427-A480 HydrophobicContact CG2-CB 3.51Å; A431-A480 HydrophobicContact CB-CB 3.6Å; S434-A480 PolarHBondContact OG-O 3.14Å; A476-A480 VanDerWaalsContact O-CB 3.23Å; A476-A480 WeakPolarHBondContact O-CB 3.45Å; A476-A480 PolarHBondContact O-N 2.93Å; L477-A480 PolarHBondContact O-N 3.24Å; A480-G482 VanDerWaalsContact C-N 3.33Å; A480-L739 HydrophobicContact CB-CD1 3.21Å
481	S	93.9	Very high	94.4	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.057	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	1.1	179.9	55.1	0	0	0	0	113.9	V435 P456 L477 A478 V479 N483 L743	V435-S481 WeakPolarHBondContact CG2-O 3.24Å; P456-S481 WeakPolarHBondContact CB-O 3.31Å; P456-S481 VanDerWaalsContact CG-O 3.3Å; P456-S481 WeakPolarHBondContact CG-O 3.37Å; L477-S481 WeakPolarHBondContact O-CB 3.44Å; L477-S481 PolarHBondContact O-N 2.93Å; L477-S481 PolarHBondContact O-OG 2.91Å; A478-S481 CarbonylContact O-C 3.6Å; A478-S481 PolarHBondContact O-N 3.01Å; A478-S481 PolarHBondContact O-OG 2.83Å; V479-S481 VanDerWaalsContact C-N 3.28Å; V479-S481 PolarHBondContact O-N 2.96Å; S481-N483 VanDerWaalsContact C-N 3.29Å; S481-N483 VanDerWaalsContact CB-ND2 3.34Å; S481-N483 WeakPolarHBondContact CB-ND2 3.47Å; S481-N483 PolarHBondContact O-N 2.65Å; S481-N483 PolarHBondContact OG-ND2 3.37Å; S481-L743 WeakPolarHBondContact O-CD2 3.4Å
482	G	93.8	Very high	94.2	Very high	2 Å²	2	13.2 Å²	13.2	2%	0.021	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.9	20.1	178.9	0	0	0	0	0	114.5	P456 A478 V479 A480	P456-G482 WeakPolarHBondContact CB-O 3.48Å; P456-G482 WeakPolarHBondContact CG-O 3.22Å; A478-G482 PolarHBondContact O-N 3.09Å; V479-G482 PolarHBondContact O-N 3.46Å; V479-G482 VanDerWaalsContact O-N 3.15Å; A480-G482 VanDerWaalsContact C-N 3.33Å
483	N	96.8	Very high	94	Very high	1 Å²	1	13.2 Å²	13.2	1%	0.005	7%	0.066	C	C	.	.			trans	-89.3	148.8	178.5	-72.1	-74.5	0	0	0	111.8	P456 I457 G458 L460 A478 S481 L742	P456-N483 WeakPolarHBondContact CB-OD1 3.29Å; I457-N483 PolarHBondContact N-OD1 3.46Å; G458-N483 PolarHBondContact N-OD1 3.26Å; G458-N483 WeakPolarHBondContact O-CA 3.3Å; G458-N483 PolarHBondContact O-OD1 2.77Å; L460-N483 HydrophobicContact CD1-CB 3.74Å; L460-N483 HydrophobicContact CG-CB 3.86Å; A478-N483 HydrophobicContact CB-CB 4.35Å; A478-N483 PolarHBondContact O-N 3.07Å; S481-N483 VanDerWaalsContact C-N 3.29Å; S481-N483 VanDerWaalsContact CB-ND2 3.34Å; S481-N483 WeakPolarHBondContact CB-ND2 3.47Å; S481-N483 PolarHBondContact O-N 2.65Å; S481-N483 PolarHBondContact OG-ND2 3.37Å; N483-L742 PolarHBondContact ND2-O 2.86Å
484	A	97.6	Very high	93.9	Very high	1 Å²	1	13.2 Å²	13.2	1%	0.008	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	154.1	161.1	0	0	0	0	0	110.3	A349 G458 V459 L460 A516	A349-A484 HydrophobicContact CB-CB 4.11Å; A349-A484 WeakPolarHBondContact O-CB 3.28Å; G458-A484 PolarHBondContact O-N 2.78Å; V459-A484 HydrophobicContact CB-CB 4.37Å; V459-A484 HydrophobicContact CG1-CB 4.26Å; V459-A484 HydrophobicContact CG2-CB 4.06Å; L460-A484 PolarHBondContact N-O 2.94Å; A484-A516 WeakPolarHBondContact CA-O 3.28Å
485	L	97.8	Very high	93.9	Very high	1 Å²	1	15.3 Å²	15.3	1%	0.005	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	127.3	-175.7	-179.4	63	0	0	0	112.4	L460 V462 V474 A478 L487 A516 V517 Q518	L460-L485 HydrophobicContact CB-CD1 3.93Å; L460-L485 CarbonylContact O-C 3.32Å; L460-L485 WeakPolarHBondContact O-CA 3.09Å; V462-L485 HydrophobicContact CB-CD1 4.19Å; V462-L485 HydrophobicContact CG2-CD1 3.5Å; V474-L485 HydrophobicContact CB-CD2 4.5Å; V474-L485 HydrophobicContact CG2-CD2 4.05Å; A478-L485 HydrophobicContact CB-CB 3.91Å; A478-L485 HydrophobicContact CB-CD2 3.99Å; A478-L485 HydrophobicContact CB-CG 4.39Å; L485-L487 HydrophobicContact CD1-CD2 4.34Å; L485-L487 HydrophobicContact CD2-CD1 4.41Å; L485-L487 HydrophobicContact CD2-CD2 3.85Å; L485-L487 HydrophobicContact CD2-CG 4.06Å; L485-L487 HydrophobicContact CG-CD2 4.08Å; L485-L487 HydrophobicContact CG-CG 4.03Å; L485-A516 PolarHBondContact N-O 3.39Å; L485-V517 HydrophobicContact CB-CG1 4.43Å; L485-V517 HydrophobicContact CB-CG2 4.18Å; L485-V517 HydrophobicContact CD2-CG1 4.14Å; L485-V517 HydrophobicContact CD2-CG2 4.46Å; L485-V517 HydrophobicContact CG-CG1 4.43Å; L485-V517 CarbonylContact O-C 3.57Å; L485-V517 WeakPolarHBondContact O-CA 3.31Å; L485-Q518 PolarHBondContact O-N 3.47Å
486	L	96.8	Very high	93.9	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	129.4	165.5	-58.9	-180	0	0	0	109.1	T346 A349 V459 L460 L461 V462 Q518 V520 I536	T346-L486 HydrophobicContact CG2-CD1 3.97Å; T346-L486 VanDerWaalsContact OG1-CD1 3.3Å; T346-L486 WeakPolarHBondContact OG1-CD1 3.19Å; A349-L486 HydrophobicContact CB-CD2 3.94Å; V459-L486 HydrophobicContact CG1-CD1 4.28Å; V459-L486 HydrophobicContact CG1-CG 4.15Å; L460-L486 PolarHBondContact O-N 3.25Å; L461-L486 WeakPolarHBondContact CA-O 3.39Å; L461-L486 HydrophobicContact CB-CB 4.48Å; L461-L486 HydrophobicContact CD1-CB 3.77Å; V462-L486 PolarHBondContact N-O 3.45Å; L486-Q518 HydrophobicContact CD2-CB 3.78Å; L486-Q518 HydrophobicContact CD2-CG 4.36Å; L486-V520 HydrophobicContact CB-CG2 4.21Å; L486-I536 HydrophobicContact CD1-CD1 3.88Å; L486-I536 HydrophobicContact CD1-CG1 4.08Å
487	L	95.6	Very high	93.9	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	122.2	-179	-68.3	164.9	0	0	0	110	V462 F464 L471 V474 L485 V517 Q518 V520	V462-L487 HydrophobicContact CB-CD2 4.29Å; F464-L487 HydrophobicContact CE1-CB 4.24Å; F464-L487 HydrophobicContact CE1-CD2 3.9Å; L471-L487 HydrophobicContact CD1-CD1 4.17Å; L471-L487 HydrophobicContact CD2-CD1 4.16Å; L471-L487 HydrophobicContact CG-CD1 3.78Å; V474-L487 HydrophobicContact CG2-CD2 3.64Å; L485-L487 HydrophobicContact CD1-CD2 4.34Å; L485-L487 HydrophobicContact CD2-CD1 4.41Å; L485-L487 HydrophobicContact CD2-CD2 3.85Å; L485-L487 HydrophobicContact CD2-CG 4.06Å; L485-L487 HydrophobicContact CG-CD2 4.08Å; L485-L487 HydrophobicContact CG-CG 4.03Å; L487-V517 HydrophobicContact CD1-CG1 3.53Å; L487-V517 HydrophobicContact CG-CG1 4.31Å; L487-Q518 PolarHBondContact N-O 2.98Å; L487-V520 PolarHBondContact O-N 3.35Å
488	K	93.3	Very high	94	Very high	18 Å²	18	20.2 Å²	20.2	8%	0.078	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	91.7	170.7	-177.6	63.6	-177.6	62.6	0	110.3	L461 V462 I463 F464 V520 N521 L529	L461-K488 HydrophobicContact CD1-CB 4.42Å; V462-K488 PolarHBondContact O-N 3.42Å; I463-K488 WeakPolarHBondContact CA-O 3.42Å; I463-K488 HydrophobicContact CG1-CB 4.09Å; I463-K488 HydrophobicContact CG2-CG 4.45Å; F464-K488 PolarHBondContact N-O 3.31Å; K488-V520 HydrophobicContact CB-CB 4.38Å; K488-V520 HydrophobicContact CD-CB 4.04Å; K488-V520 HydrophobicContact CD-CG1 3.94Å; K488-N521 WeakPolarHBondContact CE-O 3.44Å; K488-L529 HydrophobicContact CB-CD1 4.08Å; K488-L529 HydrophobicContact CD-CD1 4.28Å; K488-L529 HydrophobicContact CG-CD1 3.96Å
489	G	90.9	Very high	94	Very high	6 Å²	6	20.3 Å²	20.3	6%	0.062	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	156.6	173.6	0	0	0	0	0	113.3	F464	F464-G489 CarbonylContact O-C 3.55Å; F464-G489 WeakPolarHBondContact O-CA 3.29Å
490	G	88.1	Confident	94.2	Very high	14 Å²	14	20.2 Å²	20.2	14%	0.144	10%	0.103	C	C	.	.			trans	-67.7	157.5	167.7	0	0	0	0	0	112.9	F464 E492 A493	F464-G490 PolarHBondContact O-N 3.32Å; G490-E492 VanDerWaalsContact C-N 3.26Å; G490-E492 VanDerWaalsContact CA-OE1 3.31Å; G490-E492 WeakPolarHBondContact CA-OE1 3.44Å; G490-E492 VanDerWaalsContact CA-OE2 3.32Å; G490-E492 WeakPolarHBondContact CA-OE2 3.34Å; G490-E492 PolarHBondContact O-N 3.36Å; G490-A493 PolarHBondContact O-N 3.19Å
491	K	88.1	Confident	94.4	Very high	141 Å²	141	21 Å²	21	61%	0.613	11%	0.107	S	C	*	.	G	3₁₀ helix	trans	-70.9	-24.5	-174.9	-71.2	178.4	-179.3	173.4	0	112.5	A493 A494 T522	K491-A493 VanDerWaalsContact C-N 3.26Å; K491-A493 PolarHBondContact O-N 3.29Å; K491-A494 WeakPolarHBondContact O-CB 3.2Å; K491-A494 PolarHBondContact O-N 3.25Å; K491-T522 WeakPolarHBondContact CE-O 3.47Å; K491-T522 HydrophobicContact CG-CG2 4.28Å
492	E	89.9	Confident	94.5	Very high	40 Å²	40	25.1 Å²	25.1	19%	0.187	13%	0.126	C	C	.	.	G	3₁₀ helix	trans	-67.6	-20.9	178.8	69.3	-67.6	158.3	0	0	114.1	D392 L402 L410 A466 G490	D392-E492 WeakPolarHBondContact CB-O 3.35Å; L402-E492 HydrophobicContact CD1-CB 3.72Å; L402-E492 HydrophobicContact CD1-CG 4.36Å; L402-E492 HydrophobicContact CD2-CG 4.43Å; L410-E492 HydrophobicContact CD1-CG 4.34Å; L410-E492 HydrophobicContact CD2-CB 4.45Å; L410-E492 HydrophobicContact CD2-CG 4.5Å; A466-E492 WeakPolarHBondContact CA-OE1 3.4Å; A466-E492 HydrophobicContact CB-CG 4.18Å; A466-E492 PolarHBondContact N-OE1 3.33Å; G490-E492 VanDerWaalsContact C-N 3.26Å; G490-E492 VanDerWaalsContact CA-OE1 3.31Å; G490-E492 WeakPolarHBondContact CA-OE1 3.44Å; G490-E492 VanDerWaalsContact CA-OE2 3.32Å; G490-E492 WeakPolarHBondContact CA-OE2 3.34Å; G490-E492 PolarHBondContact O-N 3.36Å
493	A	92.3	Very high	94.7	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.008	13%	0.126	C	C	.	.	G	3₁₀ helix	trans	-112.8	22	179.3	0	0	0	0	0	112.5	D392 L410 P468 G490 K491 N495 T496 N497	D392-A493 WeakPolarHBondContact OD2-CA 3.49Å; L410-A493 HydrophobicContact CD1-CB 3.58Å; P468-A493 HydrophobicContact CB-CB 4.43Å; G490-A493 PolarHBondContact O-N 3.19Å; K491-A493 VanDerWaalsContact C-N 3.26Å; K491-A493 PolarHBondContact O-N 3.29Å; A493-N495 PolarHBondContact O-N 3.45Å; A493-T496 PolarHBondContact O-N 3.41Å; A493-N497 VanDerWaalsContact O-CB 3.24Å; A493-N497 WeakPolarHBondContact O-CB 3.15Å; A493-N497 PolarHBondContact O-N 3.47Å; A493-N497 PolarHBondContact O-ND2 3.49Å
494	A	91.8	Very high	94.8	Very high	42 Å²	42	25.4 Å²	25.4	35%	0.347	13%	0.127	S	C	.	.	H	α-helix	trans	-61.1	-41.5	-168.1	0	0	0	0	0	113.4	K491 R498	K491-A494 WeakPolarHBondContact O-CB 3.2Å; K491-A494 PolarHBondContact O-N 3.25Å; A494-R498 WeakPolarHBondContact O-CB 3.36Å; A494-R498 PolarHBondContact O-N 3.06Å; A494-R498 VanDerWaalsContact O-N 3.13Å
495	N	94.6	Very high	94.7	Very high	47 Å²	47	26.4 Å²	26.4	25%	0.251	13%	0.132	S	C	.	.	H	α-helix	trans	-72.5	-43.3	-179.2	-64.4	-73.7	0	0	0	111.4	A388 D392 M395 A493 R498 V499	A388-N495 HydrophobicContact CB-CB 4.27Å; D392-N495 WeakPolarHBondContact OD1-CB 3.21Å; D392-N495 PolarHBondContact OD1-N 2.96Å; D392-N495 PolarHBondContact OD1-ND2 2.97Å; D392-N495 PolarHBondContact OD2-N 2.74Å; M395-N495 WeakPolarHBondContact CE-ND2 3.36Å; A493-N495 PolarHBondContact O-N 3.45Å; N495-R498 PolarHBondContact O-N 3.29Å; N495-V499 PolarHBondContact O-N 2.96Å
496	T	96.9	Very high	94.7	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-62.7	-48.6	179.2	-48.5	0	0	0	0	110.7	N389 D392 L412 P468 A493 R498 V499 L500	N389-T496 WeakPolarHBondContact CA-OG1 3.32Å; N389-T496 HydrophobicContact CB-CG2 4.23Å; N389-T496 PolarHBondContact N-OG1 2.9Å; N389-T496 PolarHBondContact ND2-OG1 3.32Å; D392-T496 WeakPolarHBondContact OD2-CB 3.31Å; D392-T496 PolarHBondContact OD2-N 2.72Å; D392-T496 PolarHBondContact OD2-OG1 3.36Å; L412-T496 HydrophobicContact CD1-CG2 3.5Å; P468-T496 HydrophobicContact CB-CG2 3.52Å; P468-T496 HydrophobicContact CG-CG2 4.09Å; A493-T496 PolarHBondContact O-N 3.41Å; T496-R498 VanDerWaalsContact C-N 3.3Å; T496-R498 PolarHBondContact O-N 2.69Å; T496-V499 PolarHBondContact O-N 3Å; T496-L500 HydrophobicContact CG2-CD1 3.94Å; T496-L500 HydrophobicContact CG2-CG 4.48Å; T496-L500 WeakPolarHBondContact O-CG 3.49Å; T496-L500 PolarHBondContact O-N 3.45Å
497	N	96	Very high	94.7	Very high	3 Å²	3	30.8 Å²	30.8	2%	0.016	15%	0.152	C	C	.	.	H	α-helix	trans	-62.2	-37.9	178.9	-71	-18.5	0	0	0	111.8	L471 A493 L500 H501 M519	L471-N497 HydrophobicContact CD1-CB 4.01Å; A493-N497 VanDerWaalsContact O-CB 3.24Å; A493-N497 WeakPolarHBondContact O-CB 3.15Å; A493-N497 PolarHBondContact O-N 3.47Å; A493-N497 PolarHBondContact O-ND2 3.49Å; N497-L500 PolarHBondContact O-N 3.35Å; N497-H501 WeakPolarHBondContact O-CB 3.27Å; N497-H501 PolarHBondContact O-N 2.87Å; N497-M519 HydrophobicContact CB-SD 4.11Å
498	R	95.1	Very high	94.7	Very high	103 Å²	103	30.8 Å²	30.8	39%	0.389	15%	0.152	S	C	.	.	H	α-helix	trans	-59.7	-47.7	175.7	-175.7	-171.5	63.1	69.9	0.1	111.6	A494 N495 T496 Q502	A494-R498 WeakPolarHBondContact O-CB 3.36Å; A494-R498 PolarHBondContact O-N 3.06Å; A494-R498 VanDerWaalsContact O-N 3.13Å; N495-R498 PolarHBondContact O-N 3.29Å; T496-R498 VanDerWaalsContact C-N 3.3Å; T496-R498 PolarHBondContact O-N 2.69Å; R498-Q502 VanDerWaalsContact O-CG 3.26Å; R498-Q502 WeakPolarHBondContact O-CG 3.43Å; R498-Q502 PolarHBondContact O-N 3.33Å
499	V	97.6	Very high	94.7	Very high	2 Å²	2	32.5 Å²	32.5	1%	0.012	17%	0.166	C	C	.	.	H	α-helix	trans	-64.7	-49	178.8	174.6	0	0	0	0	110.4	E384 I385 A388 N495 T496 H501 Q502 L503	E384-V499 HydrophobicContact CG-CG1 4.17Å; I385-V499 HydrophobicContact CG1-CG1 3.95Å; A388-V499 HydrophobicContact CB-CG2 3.87Å; N495-V499 PolarHBondContact O-N 2.96Å; T496-V499 PolarHBondContact O-N 3Å; V499-H501 VanDerWaalsContact C-N 3.32Å; V499-H501 PolarHBondContact O-N 2.92Å; V499-Q502 WeakPolarHBondContact O-CB 3.42Å; V499-Q502 PolarHBondContact O-N 3.06Å; V499-Q502 VanDerWaalsContact O-N 3.12Å; V499-L503 HydrophobicContact CG1-CD1 4.41Å; V499-L503 WeakPolarHBondContact O-CG 3.48Å; V499-L503 PolarHBondContact O-N 3.34Å
500	L	97.7	Very high	94.5	Very high	3 Å²	3	36.8 Å²	36.8	2%	0.016	19%	0.187	C	C	.	.	H	α-helix	trans	-62.3	-37.6	-179.8	-67.1	172	0	0	0	112.8	L378 I385 L412 P468 L471 T496 N497 L503 T504	L378-L500 HydrophobicContact CD2-CD2 3.58Å; I385-L500 HydrophobicContact CD1-CD2 3.96Å; I385-L500 HydrophobicContact CG1-CD2 4.14Å; I385-L500 HydrophobicContact CG2-CD2 4.09Å; L412-L500 HydrophobicContact CD1-CD1 4.46Å; P468-L500 HydrophobicContact CB-CD1 4.2Å; P468-L500 WeakPolarHBondContact O-CD1 3.14Å; L471-L500 HydrophobicContact CD1-CB 4.18Å; L471-L500 HydrophobicContact CD2-CB 3.93Å; L471-L500 HydrophobicContact CG-CB 4.49Å; T496-L500 HydrophobicContact CG2-CD1 3.94Å; T496-L500 HydrophobicContact CG2-CG 4.48Å; T496-L500 WeakPolarHBondContact O-CG 3.49Å; T496-L500 PolarHBondContact O-N 3.45Å; N497-L500 PolarHBondContact O-N 3.35Å; L500-L503 PolarHBondContact O-N 3.44Å; L500-T504 WeakPolarHBondContact O-CB 3.43Å; L500-T504 PolarHBondContact O-N 3.37Å; L500-T504 PolarHBondContact O-OG1 3.03Å
501	H	97.1	Very high	94.6	Very high	17 Å²	17	38.9 Å²	38.9	8%	0.079	19%	0.193	C	C	.	.	H	α-helix	trans	-65.6	-40.8	173.8	179.9	-119.3	0	0	0	111.9	L471 N497 V499 L503 T504 Q505 V517 M519	L471-H501 HydrophobicContact CD1-CB 4.36Å; N497-H501 WeakPolarHBondContact O-CB 3.27Å; N497-H501 PolarHBondContact O-N 2.87Å; V499-H501 VanDerWaalsContact C-N 3.32Å; V499-H501 PolarHBondContact O-N 2.92Å; H501-L503 PolarHBondContact O-N 3.4Å; H501-T504 WeakPolarHBondContact O-CB 3.26Å; H501-T504 PolarHBondContact O-N 3.4Å; H501-Q505 PolarHBondContact CE1-NE2 2.63Å; H501-Q505 VanDerWaalsContact CE1-NE2 3.3Å; H501-Q505 WeakPolarHBondContact O-CG 3.44Å; H501-Q505 PolarHBondContact O-N 3.49Å; H501-V517 PolarHBondContact NE2-O 3.03Å; H501-M519 HydrophobicContact CB-SD 4.38Å
502	Q	97.1	Very high	94.6	Very high	86 Å²	86	35.2 Å²	35.2	40%	0.402	20%	0.195	S	C	.	.	H	α-helix	trans	-60.1	-45.4	175.1	-76.1	173.3	-18.1	0	0	111.9	R498 V499 T504 Q505 E506	R498-Q502 VanDerWaalsContact O-CG 3.26Å; R498-Q502 WeakPolarHBondContact O-CG 3.43Å; R498-Q502 PolarHBondContact O-N 3.33Å; V499-Q502 WeakPolarHBondContact O-CB 3.42Å; V499-Q502 PolarHBondContact O-N 3.06Å; V499-Q502 VanDerWaalsContact O-N 3.12Å; Q502-T504 VanDerWaalsContact C-N 3.3Å; Q502-T504 PolarHBondContact O-N 3.45Å; Q502-Q505 PolarHBondContact O-N 3.4Å; Q502-E506 PolarHBondContact O-N 2.94Å
503	L	98.1	Very high	94.8	Very high	6 Å²	6	33.3 Å²	33.3	3%	0.031	19%	0.186	C	C	.	.	H	α-helix	trans	-63.9	-36.8	175.8	-59.5	179.8	0	0	0	112.1	L374 L377 K381 I385 V499 L500 H501 E506 A507	L374-L503 HydrophobicContact CD1-CB 4.21Å; L377-L503 HydrophobicContact CB-CB 4.39Å; L377-L503 HydrophobicContact CB-CD2 4.43Å; L377-L503 HydrophobicContact CD1-CB 4.35Å; L377-L503 WeakPolarHBondContact CD1-O 3.26Å; K381-L503 HydrophobicContact CB-CD1 3.95Å; K381-L503 HydrophobicContact CB-CD2 4.14Å; K381-L503 HydrophobicContact CG-CD1 4.41Å; K381-L503 HydrophobicContact CG-CD2 3.76Å; I385-L503 HydrophobicContact CD1-CD1 3.79Å; I385-L503 HydrophobicContact CG1-CD1 4.06Å; V499-L503 HydrophobicContact CG1-CD1 4.41Å; V499-L503 WeakPolarHBondContact O-CG 3.48Å; V499-L503 PolarHBondContact O-N 3.34Å; L500-L503 PolarHBondContact O-N 3.44Å; H501-L503 PolarHBondContact O-N 3.4Å; L503-E506 WeakPolarHBondContact O-CB 3.43Å; L503-E506 PolarHBondContact O-N 3.42Å; L503-A507 PolarHBondContact O-N 3.46Å
504	T	97.8	Very high	94.9	Very high	3 Å²	3	39.6 Å²	39.6	2%	0.018	21%	0.21	C	C	.	.	H	α-helix	trans	-63.3	-44.5	174.3	-56.7	0	0	0	0	111.2	L374 L500 H501 Q502 A507 L508 V517	L374-T504 HydrophobicContact CD2-CG2 4.43Å; L500-T504 WeakPolarHBondContact O-CB 3.43Å; L500-T504 PolarHBondContact O-N 3.37Å; L500-T504 PolarHBondContact O-OG1 3.03Å; H501-T504 WeakPolarHBondContact O-CB 3.26Å; H501-T504 PolarHBondContact O-N 3.4Å; Q502-T504 VanDerWaalsContact C-N 3.3Å; Q502-T504 PolarHBondContact O-N 3.45Å; T504-A507 PolarHBondContact O-N 3.26Å; T504-L508 HydrophobicContact CG2-CD1 4.03Å; T504-L508 WeakPolarHBondContact O-CD1 3.5Å; T504-L508 WeakPolarHBondContact O-CG 3.34Å; T504-L508 PolarHBondContact O-N 3.27Å; T504-V517 HydrophobicContact CG2-CB 4.2Å; T504-V517 HydrophobicContact CG2-CG1 4.13Å; T504-V517 HydrophobicContact CG2-CG2 4.19Å
505	Q	96.6	Very high	95	Very high	22 Å²	22	41.6 Å²	41.6	10%	0.103	21%	0.212	C	C	.	.	H	α-helix	trans	-65.3	-36.9	175.9	-75.7	-162.1	-23.2	0	0	112.8	H501 Q502 L508 S509 R514	H501-Q505 PolarHBondContact CE1-NE2 2.63Å; H501-Q505 VanDerWaalsContact CE1-NE2 3.3Å; H501-Q505 WeakPolarHBondContact O-CG 3.44Å; H501-Q505 PolarHBondContact O-N 3.49Å; Q502-Q505 PolarHBondContact O-N 3.4Å; Q505-L508 PolarHBondContact O-N 3.33Å; Q505-S509 WeakPolarHBondContact O-CB 3.07Å; Q505-S509 PolarHBondContact O-N 3.21Å; Q505-S509 PolarHBondContact O-OG 2.94Å; Q505-R514 HydrophobicContact CB-CG 3.94Å; Q505-R514 HydrophobicContact CG-CG 4.12Å; Q505-R514 VanDerWaalsContact OE1-NE 3.13Å
506	E	96.9	Very high	95.1	Very high	92 Å²	92	39.4 Å²	39.4	43%	0.43	20%	0.2	S	C	.	.	H	α-helix	trans	-59.1	-48.3	173.9	-175.5	172.8	176.3	0	0	110.5	L377 Q502 L503 L508 S509	L377-E506 HydrophobicContact CD1-CB 4.08Å; L377-E506 HydrophobicContact CD1-CG 4.06Å; Q502-E506 PolarHBondContact O-N 2.94Å; L503-E506 WeakPolarHBondContact O-CB 3.43Å; L503-E506 PolarHBondContact O-N 3.42Å; E506-L508 PolarHBondContact O-N 2.8Å; E506-S509 WeakPolarHBondContact O-CB 3.34Å; E506-S509 PolarHBondContact O-N 3.18Å
507	A	96.6	Very high	95.1	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-64	-40.2	177.4	0	0	0	0	0	114.2	I370 H373 L374 L377 L503 T504 S509 L510	I370-A507 HydrophobicContact CG2-CB 4.13Å; H373-A507 HydrophobicContact CB-CB 4.46Å; L374-A507 HydrophobicContact CB-CB 4Å; L377-A507 HydrophobicContact CD1-CB 4.32Å; L503-A507 PolarHBondContact O-N 3.46Å; T504-A507 PolarHBondContact O-N 3.26Å; A507-S509 VanDerWaalsContact C-N 3.27Å; A507-S509 PolarHBondContact O-N 2.89Å; A507-L510 WeakPolarHBondContact O-CB 3.39Å; A507-L510 WeakPolarHBondContact O-CG 3.2Å; A507-L510 PolarHBondContact O-N 3.15Å
508	L	95.4	Very high	95.1	Very high	1 Å²	1	40 Å²	40	1%	0.005	20%	0.203	C	C	.	.	H	α-helix	trans	-67	-27.9	176.1	-73.7	163.4	0	0	0	113.1	I370 V479 T504 Q505 E506 L510 H511 V513 A516 V517	I370-L508 HydrophobicContact CD1-CD2 4.33Å; I370-L508 HydrophobicContact CG2-CD2 3.94Å; I370-L508 HydrophobicContact CG2-CG 4.19Å; V479-L508 HydrophobicContact CG2-CD2 3.8Å; T504-L508 HydrophobicContact CG2-CD1 4.03Å; T504-L508 WeakPolarHBondContact O-CD1 3.5Å; T504-L508 WeakPolarHBondContact O-CG 3.34Å; T504-L508 PolarHBondContact O-N 3.27Å; Q505-L508 PolarHBondContact O-N 3.33Å; E506-L508 PolarHBondContact O-N 2.8Å; L508-L510 PolarHBondContact O-N 2.76Å; L508-H511 PolarHBondContact O-N 2.97Å; L508-V513 HydrophobicContact CB-CG2 4.3Å; L508-V513 HydrophobicContact CD2-CG2 3.82Å; L508-V513 VanDerWaalsContact O-CG2 3.32Å; L508-V513 WeakPolarHBondContact O-CG2 3.33Å; L508-V513 PolarHBondContact O-N 2.82Å; L508-A516 HydrophobicContact CD2-CB 4.39Å; L508-V517 HydrophobicContact CD1-CB 3.79Å; L508-V517 HydrophobicContact CD1-CG2 3.6Å
509	S	94.1	Very high	94.9	Very high	53 Å²	53	37.7 Å²	37.7	37%	0.371	20%	0.197	S	C	.	.	H	α-helix	trans	-65.8	-23	-177.8	-62.5	0	0	0	0	112.7	Q505 E506 A507 H511 G512	Q505-S509 WeakPolarHBondContact O-CB 3.07Å; Q505-S509 PolarHBondContact O-N 3.21Å; Q505-S509 PolarHBondContact O-OG 2.94Å; E506-S509 WeakPolarHBondContact O-CB 3.34Å; E506-S509 PolarHBondContact O-N 3.18Å; A507-S509 VanDerWaalsContact C-N 3.27Å; A507-S509 PolarHBondContact O-N 2.89Å; S509-H511 PolarHBondContact O-N 3.34Å; S509-H511 VanDerWaalsContact O-N 3.08Å; S509-G512 PolarHBondContact O-N 2.91Å
510	L	87.4	Confident	94.4	Very high	97 Å²	97	37.7 Å²	37.7	51%	0.508	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-28.9	174.9	-68.1	176.1	0	0	0	113.4	H373 A507 L508	H373-L510 HydrophobicContact CB-CD1 3.93Å; A507-L510 WeakPolarHBondContact O-CB 3.39Å; A507-L510 WeakPolarHBondContact O-CG 3.2Å; A507-L510 PolarHBondContact O-N 3.15Å; L508-L510 PolarHBondContact O-N 2.76Å
511	H	88.9	Confident	93.2	Very high	57 Å²	57	39.7 Å²	39.7	26%	0.264	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-124.1	20.6	-178	-66.1	-73	0	0	0	112.9	L359 I370 L508 S509 V513	L359-H511 HydrophobicContact CD1-CB 4.45Å; I370-H511 HydrophobicContact CD1-CB 4.29Å; L508-H511 PolarHBondContact O-N 2.97Å; S509-H511 PolarHBondContact O-N 3.34Å; S509-H511 VanDerWaalsContact O-N 3.08Å; H511-V513 HydrophobicContact CB-CG2 4.21Å; H511-V513 PolarHBondContact O-N 3.21Å
512	G	89.4	Confident	91.5	Very high	64 Å²	64	42 Å²	42	66%	0.66	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.7	15.5	176.2	0	0	0	0	0	115	S509	S509-G512 PolarHBondContact O-N 2.91Å
513	V	93.3	Very high	90	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.222	C	C	.	.			trans	-107.5	26.9	-177.2	-71.3	0	0	0	0	112.3	S352 I355 L356 I370 L508 H511 E515 A516	S352-V513 WeakPolarHBondContact OG-CA 3.32Å; S352-V513 PolarHBondContact OG-O 2.75Å; I355-V513 HydrophobicContact CB-CG1 4.06Å; I355-V513 HydrophobicContact CG2-CG1 3.66Å; L356-V513 HydrophobicContact CB-CG1 4.39Å; L356-V513 HydrophobicContact CD1-CG2 4.08Å; I370-V513 HydrophobicContact CD1-CG2 3.87Å; L508-V513 HydrophobicContact CB-CG2 4.3Å; L508-V513 HydrophobicContact CD2-CG2 3.82Å; L508-V513 VanDerWaalsContact O-CG2 3.32Å; L508-V513 WeakPolarHBondContact O-CG2 3.33Å; L508-V513 PolarHBondContact O-N 2.82Å; H511-V513 HydrophobicContact CB-CG2 4.21Å; H511-V513 PolarHBondContact O-N 3.21Å; V513-E515 PolarHBondContact O-N 3.28Å; V513-A516 HydrophobicContact CB-CB 4.49Å; V513-A516 VanDerWaalsContact O-CB 3.26Å; V513-A516 WeakPolarHBondContact O-CB 2.89Å; V513-A516 PolarHBondContact O-N 3.34Å
514	R	94.4	Very high	88.4	Confident	133 Å²	133	42.7 Å²	42.7	50%	0.502	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-48.3	-37.6	-178.5	-177.7	178.5	175.5	155.3	2.8	112.8	Q505 A516	Q505-R514 HydrophobicContact CB-CG 3.94Å; Q505-R514 HydrophobicContact CG-CG 4.12Å; Q505-R514 VanDerWaalsContact OE1-NE 3.13Å; R514-A516 VanDerWaalsContact C-N 3.27Å; R514-A516 PolarHBondContact O-N 3.32Å
515	E	94.8	Very high	87.2	Confident	85 Å²	85	45.2 Å²	45.2	40%	0.397	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-79.4	-6.5	-174.2	-64.6	-178.7	-179	0	0	113.9	M348 A349 V513 V517 Q518	M348-E515 HydrophobicContact CB-CB 4.3Å; M348-E515 WeakPolarHBondContact CB-OE2 3.5Å; M348-E515 HydrophobicContact CE-CG 3.79Å; M348-E515 WeakPolarHBondContact CE-OE1 3.3Å; M348-E515 WeakPolarHBondContact CE-OE2 3.4Å; A349-E515 VanDerWaalsContact CA-O 3.28Å; A349-E515 WeakPolarHBondContact CA-O 3.39Å; V513-E515 PolarHBondContact O-N 3.28Å; E515-V517 PolarHBondContact O-N 3.44Å; E515-Q518 VanDerWaalsContact CA-NE2 3.28Å; E515-Q518 PolarHBondContact O-NE2 2.97Å
516	A	96.1	Very high	86.4	Confident	0 Å²	0	46 Å²	46	0%	0	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-64.9	-22.5	-177.7	0	0	0	0	0	112.8	S352 L356 A484 L485 L508 V513 R514	S352-A516 PolarHBondContact OG-N 3.15Å; L356-A516 HydrophobicContact CD2-CB 4.01Å; A484-A516 WeakPolarHBondContact CA-O 3.28Å; L485-A516 PolarHBondContact N-O 3.39Å; L508-A516 HydrophobicContact CD2-CB 4.39Å; V513-A516 HydrophobicContact CB-CB 4.49Å; V513-A516 VanDerWaalsContact O-CB 3.26Å; V513-A516 WeakPolarHBondContact O-CB 2.89Å; V513-A516 PolarHBondContact O-N 3.34Å; R514-A516 VanDerWaalsContact C-N 3.27Å; R514-A516 PolarHBondContact O-N 3.32Å
517	V	96.9	Very high	85.5	Confident	1 Å²	1	45.6 Å²	45.6	1%	0.006	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	111.7	176.7	-177.4	0	0	0	0	109.7	L485 L487 H501 T504 L508 E515	L485-V517 HydrophobicContact CB-CG1 4.43Å; L485-V517 HydrophobicContact CB-CG2 4.18Å; L485-V517 HydrophobicContact CD2-CG1 4.14Å; L485-V517 HydrophobicContact CD2-CG2 4.46Å; L485-V517 HydrophobicContact CG-CG1 4.43Å; L485-V517 CarbonylContact O-C 3.57Å; L485-V517 WeakPolarHBondContact O-CA 3.31Å; L487-V517 HydrophobicContact CD1-CG1 3.53Å; L487-V517 HydrophobicContact CG-CG1 4.31Å; H501-V517 PolarHBondContact NE2-O 3.03Å; T504-V517 HydrophobicContact CG2-CB 4.2Å; T504-V517 HydrophobicContact CG2-CG1 4.13Å; T504-V517 HydrophobicContact CG2-CG2 4.19Å; L508-V517 HydrophobicContact CD1-CB 3.79Å; L508-V517 HydrophobicContact CD1-CG2 3.6Å; E515-V517 PolarHBondContact O-N 3.44Å
518	Q	95.1	Very high	84.7	Confident	14 Å²	14	46.3 Å²	46.3	7%	0.065	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	143.4	179.7	-61.7	-67	-20.8	0	0	111.3	Q345 A349 L485 L486 L487 E515	Q345-Q518 HydrophobicContact CB-CB 4.3Å; Q345-Q518 HydrophobicContact CB-CG 4.31Å; A349-Q518 HydrophobicContact CB-CG 3.98Å; L485-Q518 PolarHBondContact O-N 3.47Å; L486-Q518 HydrophobicContact CD2-CB 3.78Å; L486-Q518 HydrophobicContact CD2-CG 4.36Å; L487-Q518 PolarHBondContact N-O 2.98Å; E515-Q518 VanDerWaalsContact CA-NE2 3.28Å; E515-Q518 PolarHBondContact O-NE2 2.97Å
519	M	91.6	Very high	84.1	Confident	55 Å²	55	46.2 Å²	46.2	27%	0.271	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	117.5	171.1	-170.4	169.6	70.6	0	0	109.2	Q345 N497 H501	Q345-M519 PolarHBondContact NE2-O 3.28Å; N497-M519 HydrophobicContact CB-SD 4.11Å; H501-M519 HydrophobicContact CB-SD 4.38Å
520	V	87.2	Confident	83.7	Confident	3 Å²	3	43.7 Å²	43.7	2%	0.018	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-71.9	137.5	178	176.8	0	0	0	0	109.7	V342 L486 L487 K488 E524 L529	V342-V520 HydrophobicContact CG2-CG1 3.82Å; L486-V520 HydrophobicContact CB-CG2 4.21Å; L487-V520 PolarHBondContact O-N 3.35Å; K488-V520 HydrophobicContact CB-CB 4.38Å; K488-V520 HydrophobicContact CD-CB 4.04Å; K488-V520 HydrophobicContact CD-CG1 3.94Å; V520-E524 HydrophobicContact CG1-CB 3.9Å; V520-E524 HydrophobicContact CG1-CG 4.08Å; V520-L529 HydrophobicContact CG1-CD1 4.03Å; V520-L529 HydrophobicContact CG1-CD2 3.95Å; V520-L529 HydrophobicContact CG2-CD2 4.45Å
521	N	71.6	Confident	83.5	Confident	45 Å²	45	44.7 Å²	44.7	24%	0.241	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-56.6	138	178.6	-81.7	-27.1	0	0	0	112.4	A338 K488 H523 E524	A338-N521 PolarHBondContact O-ND2 2.81Å; A338-N521 VanDerWaalsContact O-ND2 3.08Å; K488-N521 WeakPolarHBondContact CE-O 3.44Å; N521-H523 VanDerWaalsContact CB-CE1 3.42Å; N521-H523 WeakPolarHBondContact CB-CE1 3.22Å; N521-H523 PolarHBondContact ND2-CE1 3.28Å; N521-H523 PolarHBondContact O-N 3.2Å; N521-H523 VanDerWaalsContact O-N 3.1Å; N521-E524 HydrophobicContact CB-CG 4.16Å; N521-E524 WeakPolarHBondContact O-CB 3.19Å; N521-E524 PolarHBondContact O-N 3.42Å; N521-E524 VanDerWaalsContact O-N 3.14Å
522	T	62.3	Low	83.3	Confident	66 Å²	66	43.2 Å²	43.2	41%	0.405	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-12.3	-175.1	57.6	0	0	0	0	114.8	K491	K491-T522 WeakPolarHBondContact CE-O 3.47Å; K491-T522 HydrophobicContact CG-CG2 4.28Å
523	H	65.2	Low	83.1	Confident	81 Å²	81	44.4 Å²	44.4	38%	0.375	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-14.5	177	65.9	-95.6	0	0	0	113.5	N521 E525	N521-H523 VanDerWaalsContact CB-CE1 3.42Å; N521-H523 WeakPolarHBondContact CB-CE1 3.22Å; N521-H523 PolarHBondContact ND2-CE1 3.28Å; N521-H523 PolarHBondContact O-N 3.2Å; N521-H523 VanDerWaalsContact O-N 3.1Å; H523-E525 PolarHBondContact O-N 2.76Å
524	E	65.2	Low	82.8	Confident	25 Å²	25	52.7 Å²	52.7	12%	0.117	25%	0.246	C	C	.	.	S	Bend	trans	-68.1	131.2	174.3	-66.9	-72.1	161.7	0	0	109.3	K327 V342 V520 N521	K327-E524 WeakPolarHBondContact CE-OE2 3.49Å; K327-E524 IonicContact NZ-OE1 3.6Å; K327-E524 IonicContact NZ-OE2 2.64Å; K327-E524 PolarHBondContact NZ-OE2 3.43Å; V342-E524 HydrophobicContact CG2-CB 4.21Å; V342-E524 HydrophobicContact CG2-CG 3.44Å; V342-E524 VanDerWaalsContact CG2-CG 3.44Å; V520-E524 HydrophobicContact CG1-CB 3.9Å; V520-E524 HydrophobicContact CG1-CG 4.08Å; N521-E524 HydrophobicContact CB-CG 4.16Å; N521-E524 WeakPolarHBondContact O-CB 3.19Å; N521-E524 PolarHBondContact O-N 3.42Å; N521-E524 VanDerWaalsContact O-N 3.14Å
525	E	72	Confident	82.5	Confident	55 Å²	55	48.1 Å²	48.1	26%	0.257	23%	0.233	S	C	.	.			trans	-74.5	137.7	178.5	-61.5	-164.4	168.2	0	0	109.1	R47 H523 E527 D528 L529	R47-E525 IonicContact NH2-OE1 2.75Å; H523-E525 PolarHBondContact O-N 2.76Å; E525-E527 PolarHBondContact O-N 3.26Å; E525-D528 PolarHBondContact O-N 2.91Å; E525-L529 PolarHBondContact O-N 3.46Å
526	V	80.4	Confident	82.5	Confident	40 Å²	40	44.2 Å²	44.2	24%	0.242	22%	0.215	C	C	.	.	H	α-helix	trans	-57.6	-33.9	178.8	169.6	0	0	0	0	111.1	I463 D528 L529 C530 I551	I463-V526 HydrophobicContact CD1-CG1 3.78Å; I463-V526 HydrophobicContact CG2-CG2 4.27Å; V526-D528 VanDerWaalsContact C-N 3.33Å; V526-D528 PolarHBondContact O-N 3.26Å; V526-L529 WeakPolarHBondContact O-CB 3.46Å; V526-L529 PolarHBondContact O-N 2.9Å; V526-C530 PolarHBondContact O-N 3.34Å; V526-C530 PolarHBondContact O-SG 3.43Å; V526-I551 HydrophobicContact CG1-CD1 4.2Å; V526-I551 HydrophobicContact CG1-CG1 3.68Å
527	E	78.1	Confident	82.5	Confident	82 Å²	82	46.6 Å²	46.6	38%	0.383	23%	0.228	S	C	.	.	H	α-helix	trans	-62.8	-38.2	177.9	-167.4	178.4	170	0	0	112.5	E525 L529 C530 R531 A554	E525-E527 PolarHBondContact O-N 3.26Å; E527-L529 VanDerWaalsContact C-N 3.34Å; E527-L529 PolarHBondContact O-N 2.78Å; E527-C530 PolarHBondContact O-N 3.46Å; E527-R531 WeakPolarHBondContact O-CG 3.49Å; E527-R531 PolarHBondContact O-N 2.99Å; E527-R531 IonicContact OE1-CZ 3.79Å; E527-R531 IonicContact OE1-NE 2.62Å; E527-R531 IonicContact OE1-NH2 3.44Å; E527-R531 PolarHBondContact OE1-NH2 2.86Å; E527-A554 HydrophobicContact CG-CB 4.26Å
528	D	79.3	Confident	82.5	Confident	15 Å²	15	47 Å²	47	8%	0.08	23%	0.23	C	C	.	.	H	α-helix	trans	-65.6	-40.4	177.5	-68.1	-31.2	0	0	0	110.8	K327 E525 V526 C530 R531	K327-D528 HydrophobicContact CD-CB 4.16Å; K327-D528 WeakPolarHBondContact CD-OD2 3.47Å; K327-D528 WeakPolarHBondContact CE-OD2 3.22Å; E525-D528 PolarHBondContact O-N 2.91Å; V526-D528 VanDerWaalsContact C-N 3.33Å; V526-D528 PolarHBondContact O-N 3.26Å; D528-C530 VanDerWaalsContact C-N 3.3Å; D528-C530 PolarHBondContact O-N 2.96Å; D528-R531 PolarHBondContact O-N 2.94Å; D528-R531 IonicContact OD1-NH1 3.59Å
529	L	84	Confident	82.6	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-63.5	-36.3	175.3	-57.7	176	0	0	0	112.5	V342 L461 K488 V520 E525 V526 E527 R531 L532	V342-L529 HydrophobicContact CB-CD2 4.35Å; V342-L529 HydrophobicContact CG1-CD2 3.42Å; V342-L529 VanDerWaalsContact CG1-CD2 3.42Å; V342-L529 HydrophobicContact CG2-CD2 4Å; L461-L529 HydrophobicContact CD1-CD1 4.29Å; L461-L529 HydrophobicContact CD2-CB 3.62Å; L461-L529 HydrophobicContact CD2-CD1 4.26Å; L461-L529 HydrophobicContact CD2-CG 4.49Å; K488-L529 HydrophobicContact CB-CD1 4.08Å; K488-L529 HydrophobicContact CD-CD1 4.28Å; K488-L529 HydrophobicContact CG-CD1 3.96Å; V520-L529 HydrophobicContact CG1-CD1 4.03Å; V520-L529 HydrophobicContact CG1-CD2 3.95Å; V520-L529 HydrophobicContact CG2-CD2 4.45Å; E525-L529 PolarHBondContact O-N 3.46Å; V526-L529 WeakPolarHBondContact O-CB 3.46Å; V526-L529 PolarHBondContact O-N 2.9Å; E527-L529 VanDerWaalsContact C-N 3.34Å; E527-L529 PolarHBondContact O-N 2.78Å; L529-R531 PolarHBondContact O-N 3.37Å; L529-L532 HydrophobicContact CD2-CD1 4.37Å; L529-L532 PolarHBondContact O-N 3.32Å
530	C	85	Confident	82.8	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-8.9	179.3	-67	0	0	0	0	113.6	V526 E527 D528 I539 A554 A555	V526-C530 PolarHBondContact O-N 3.34Å; V526-C530 PolarHBondContact O-SG 3.43Å; E527-C530 PolarHBondContact O-N 3.46Å; D528-C530 VanDerWaalsContact C-N 3.3Å; D528-C530 PolarHBondContact O-N 2.96Å; C530-I539 HydrophobicContact CB-CD1 4.44Å; C530-A554 HydrophobicContact CB-CB 3.98Å; C530-A555 HydrophobicContact CB-CB 4.34Å
531	R	83	Confident	83.1	Confident	118 Å²	118	43.9 Å²	43.9	45%	0.445	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	-1.7	178.4	-66	170	-175.7	179.6	0.4	113.4	E527 D528 L529 D533	E527-R531 WeakPolarHBondContact O-CG 3.49Å; E527-R531 PolarHBondContact O-N 2.99Å; E527-R531 IonicContact OE1-CZ 3.79Å; E527-R531 IonicContact OE1-NE 2.62Å; E527-R531 IonicContact OE1-NH2 3.44Å; E527-R531 PolarHBondContact OE1-NH2 2.86Å; D528-R531 PolarHBondContact O-N 2.94Å; D528-R531 IonicContact OD1-NH1 3.59Å; L529-R531 PolarHBondContact O-N 3.37Å; R531-D533 PolarHBondContact O-N 3.3Å; R531-D533 VanDerWaalsContact O-N 3.08Å
532	L	85	Confident	84	Confident	26 Å²	26	43.9 Å²	43.9	14%	0.136	21%	0.212	C	C	.	.			trans	-86.2	48.4	-176.9	-64	176.3	0	0	0	112.8	V342 E343 L529 K534 T535 I536	V342-L532 HydrophobicContact CG1-CD1 3.4Å; V342-L532 VanDerWaalsContact CG1-CD1 3.4Å; E343-L532 HydrophobicContact CG-CD2 4.32Å; L529-L532 HydrophobicContact CD2-CD1 4.37Å; L529-L532 PolarHBondContact O-N 3.32Å; L532-K534 VanDerWaalsContact C-N 3.26Å; L532-K534 PolarHBondContact O-N 3.33Å; L532-T535 PolarHBondContact O-N 3.37Å; L532-T535 VanDerWaalsContact O-N 3.08Å; L532-T535 PolarHBondContact O-OG1 3.46Å; L532-T535 VanDerWaalsContact O-OG1 3.13Å; L532-I536 HydrophobicContact CB-CD1 3.79Å; L532-I536 HydrophobicContact CB-CG1 4.03Å; L532-I536 HydrophobicContact CD1-CD1 4.07Å; L532-I536 PolarHBondContact O-N 3Å
533	D	84.8	Confident	85.2	Confident	89 Å²	89	41.6 Å²	41.6	48%	0.476	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-22.3	-172.6	69.3	-42.9	0	0	0	114.8	R531 T535 I558	R531-D533 PolarHBondContact O-N 3.3Å; R531-D533 VanDerWaalsContact O-N 3.08Å; D533-T535 VanDerWaalsContact C-N 3.28Å; D533-T535 PolarHBondContact O-N 2.86Å; D533-I558 HydrophobicContact CB-CD1 4.42Å; D533-I558 HydrophobicContact CB-CG1 3.81Å
534	K	86.4	Confident	86.1	Confident	173 Å²	173	40 Å²	40	75%	0.752	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-14.7	175.3	-63.2	-175.1	179.6	179.9	0	113.9	R350 L532	R350-K534 PolarHBondContact NH1-O 3.47Å; L532-K534 VanDerWaalsContact C-N 3.26Å; L532-K534 PolarHBondContact O-N 3.33Å
535	T	89.1	Confident	87.1	Confident	38 Å²	38	40.4 Å²	40.4	23%	0.233	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-129.2	-28.4	-168.7	51.7	0	0	0	0	114.3	T346 V459 L532 D533	T346-T535 HydrophobicContact CG2-CG2 4.38Å; V459-T535 VanDerWaalsContact CB-O 3.32Å; V459-T535 WeakPolarHBondContact CB-O 3.43Å; V459-T535 VanDerWaalsContact CG2-O 3.3Å; V459-T535 WeakPolarHBondContact CG2-O 3.47Å; L532-T535 PolarHBondContact O-N 3.37Å; L532-T535 VanDerWaalsContact O-N 3.08Å; L532-T535 PolarHBondContact O-OG1 3.46Å; L532-T535 VanDerWaalsContact O-OG1 3.13Å; D533-T535 VanDerWaalsContact C-N 3.28Å; D533-T535 PolarHBondContact O-N 2.86Å
536	I	94.9	Very high	87.7	Confident	2 Å²	2	42 Å²	42	1%	0.01	21%	0.212	C	C	.	.			trans	-104.3	125.8	177.1	-58	179.3	0	0	0	108.3	T346 L461 L486 L532 I539 I558	T346-I536 HydrophobicContact CG2-CG1 4.29Å; L461-I536 HydrophobicContact CB-CD1 4.11Å; L461-I536 HydrophobicContact CB-CG2 3.68Å; L461-I536 HydrophobicContact CD2-CD1 3.86Å; L486-I536 HydrophobicContact CD1-CD1 3.88Å; L486-I536 HydrophobicContact CD1-CG1 4.08Å; L532-I536 HydrophobicContact CB-CD1 3.79Å; L532-I536 HydrophobicContact CB-CG1 4.03Å; L532-I536 HydrophobicContact CD1-CD1 4.07Å; L532-I536 PolarHBondContact O-N 3Å; I536-I539 HydrophobicContact CG2-CG1 4.28Å; I536-I558 HydrophobicContact CB-CD1 4.08Å; I536-I558 HydrophobicContact CG2-CD1 4.38Å; I536-I558 HydrophobicContact CG2-CG2 4.19Å
537	D	96.5	Very high	88.1	Confident	51 Å²	51	41.7 Å²	41.7	27%	0.273	21%	0.209	S	C	.	.			trans	-98.4	-23	-172.4	-58.1	-70.5	0	0	0	112.5	I457 G458 V459 P559	I457-D537 HydrophobicContact CG2-CB 3.65Å; G458-D537 WeakPolarHBondContact CA-OD2 3.31Å; V459-D537 PolarHBondContact N-OD2 3.43Å; V459-D537 PolarHBondContact O-N 3.5Å; D537-P559 WeakPolarHBondContact O-CD 3.45Å
538	L	97	Very high	88.7	Confident	9 Å²	9	38 Å²	38	5%	0.047	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	135.8	177.1	-173.9	68.9	0	0	0	112.3	I457 V459 L460 L461 I540 P559 L561	I457-L538 HydrophobicContact CD1-CD2 3.89Å; I457-L538 HydrophobicContact CG2-CB 4.16Å; V459-L538 PolarHBondContact O-N 2.93Å; L460-L538 WeakPolarHBondContact CA-O 3.4Å; L460-L538 HydrophobicContact CD2-CB 3.82Å; L460-L538 HydrophobicContact CD2-CD2 4.07Å; L460-L538 HydrophobicContact CD2-CG 4.48Å; L461-L538 PolarHBondContact N-O 3.32Å; L538-I540 HydrophobicContact CD2-CD1 4.14Å; L538-I540 HydrophobicContact CD2-CG1 4.11Å; L538-I540 HydrophobicContact CG-CG1 4.22Å; L538-P559 HydrophobicContact CD1-CB 3.91Å; L538-L561 HydrophobicContact CD1-CB 3.97Å; L538-L561 HydrophobicContact CD2-CB 4.24Å; L538-L561 HydrophobicContact CD2-CD1 4.22Å; L538-L561 HydrophobicContact CG-CB 4.37Å
539	I	96.5	Very high	89.1	Confident	0 Å²	0	41 Å²	41	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	134	171.7	-60.7	168.8	0	0	0	110.4	L461 I463 C530 I536 I551 A555 I558 P559 V560 L561	L461-I539 HydrophobicContact CB-CG1 4.26Å; L461-I539 HydrophobicContact CD2-CG1 4.18Å; L461-I539 CarbonylContact O-C 3.6Å; L461-I539 WeakPolarHBondContact O-CA 3.4Å; I463-I539 HydrophobicContact CD1-CG2 3.97Å; C530-I539 HydrophobicContact CB-CD1 4.44Å; I536-I539 HydrophobicContact CG2-CG1 4.28Å; I539-I551 HydrophobicContact CG2-CG2 3.69Å; I539-A555 HydrophobicContact CD1-CB 3.94Å; I539-I558 HydrophobicContact CD1-CB 3.96Å; I539-I558 HydrophobicContact CD1-CD1 3.93Å; I539-I558 HydrophobicContact CD1-CG2 3.91Å; I539-I558 HydrophobicContact CG1-CB 4.34Å; I539-I558 HydrophobicContact CG1-CG2 3.71Å; I539-P559 PolarHBondContact N-O 3.43Å; I539-V560 HydrophobicContact CB-CG2 4.31Å; I539-V560 CarbonylContact O-C 3.59Å; I539-V560 WeakPolarHBondContact O-CA 3.47Å; I539-L561 PolarHBondContact O-N 3.17Å
540	I	95.7	Very high	89.4	Confident	1 Å²	1	44 Å²	44	1%	0.005	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	97.9	178.2	-53.6	171.6	0	0	0	109.1	L461 V462 I463 L538 R542 L561 V724 L742	L461-I540 PolarHBondContact O-N 3.47Å; V462-I540 WeakPolarHBondContact CA-O 3.47Å; V462-I540 HydrophobicContact CG2-CB 4.17Å; V462-I540 HydrophobicContact CG2-CD1 4.32Å; I463-I540 PolarHBondContact N-O 3.49Å; I463-I540 VanDerWaalsContact N-O 3.11Å; L538-I540 HydrophobicContact CD2-CD1 4.14Å; L538-I540 HydrophobicContact CD2-CG1 4.11Å; L538-I540 HydrophobicContact CG-CG1 4.22Å; I540-R542 HydrophobicContact CG2-CG 4.39Å; I540-L561 HydrophobicContact CG1-CB 4.47Å; I540-V724 HydrophobicContact CD1-CB 4.11Å; I540-V724 HydrophobicContact CD1-CG1 4.36Å; I540-V724 HydrophobicContact CD1-CG2 4.09Å; I540-V724 HydrophobicContact CG2-CB 4.39Å; I540-L742 HydrophobicContact CD1-CD2 3.99Å
541	P	94.1	Very high	89.7	Confident	6 Å²	6	44 Å²	44	4%	0.039	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	132.5	175.7	32.7	-34.8	0	0	0	111.7	I463 V548 I551 V560 L561	I463-P541 CarbonylContact O-C 3.58Å; I463-P541 WeakPolarHBondContact O-CA 3.3Å; P541-V548 HydrophobicContact CB-CG2 4.01Å; P541-V548 HydrophobicContact CG-CB 4.31Å; P541-V548 HydrophobicContact CG-CG1 3.95Å; P541-V548 HydrophobicContact CG-CG2 4.01Å; P541-I551 HydrophobicContact CB-CD1 3.6Å; P541-I551 HydrophobicContact CB-CG2 4.5Å; P541-V560 HydrophobicContact CG-CG1 3.82Å; P541-L561 WeakPolarHBondContact CD-O 3.3Å
542	R	89.9	Confident	90	Very high	44 Å²	44	42.2 Å²	42.2	17%	0.166	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	88.5	178.4	-71.9	-73	-79.5	-165	-8.4	110.5	I463 F464 E465 R467 I540 E723 V724	I463-R542 PolarHBondContact O-N 2.92Å; F464-R542 VanDerWaalsContact CA-O 3.28Å; F464-R542 WeakPolarHBondContact CA-O 3.34Å; F464-R542 HydrophobicContact CB-CB 3.89Å; E465-R542 PolarHBondContact N-O 2.88Å; R467-R542 PolarHBondContact NH1-O 3.16Å; I540-R542 HydrophobicContact CG2-CG 4.39Å; R542-E723 IonicContact CZ-OE1 3.21Å; R542-E723 IonicContact NH1-OE1 3.62Å; R542-E723 PolarHBondContact NH1-OE1 3.02Å; R542-E723 VanDerWaalsContact NH1-OE1 3.11Å; R542-E723 IonicContact NH2-OE1 2.62Å; R542-V724 WeakPolarHBondContact CD-O 3.16Å; R542-V724 PolarHBondContact NE-O 3.39Å
543	G	87	Confident	90.1	Very high	18 Å²	18	49 Å²	49	19%	0.186	24%	0.239	C	C	.	.	S	Bend	trans	-163.6	-150.4	-171.5	0	0	0	0	0	113.6	E465	E465-G543 WeakPolarHBondContact OE1-CA 3.36Å
544	S	84.8	Confident	90.2	Very high	47 Å²	47	45.9 Å²	45.9	33%	0.329	23%	0.225	S	C	.	.			trans	-73.9	156	168.4	55.8	0	0	0	0	110.5	E465 Q546 L547 V548	E465-S544 WeakPolarHBondContact OE1-CB 3.42Å; E465-S544 PolarHBondContact OE1-N 3.31Å; E465-S544 PolarHBondContact OE1-OG 2.79Å; S544-Q546 PolarHBondContact O-N 3.47Å; S544-Q546 VanDerWaalsContact O-N 3.15Å; S544-L547 PolarHBondContact O-N 3.11Å; S544-L547 VanDerWaalsContact O-N 3.12Å; S544-L547 PolarHBondContact OG-N 3.13Å; S544-V548 WeakPolarHBondContact O-CG2 3.32Å; S544-V548 PolarHBondContact O-N 3.39Å; S544-V548 VanDerWaalsContact O-N 3.13Å
545	S	84.8	Confident	90.3	Very high	34 Å²	34	38.4 Å²	38.4	24%	0.238	20%	0.196	C	C	.	.	H	α-helix	trans	-52.2	-35.5	172.9	-49.2	0	0	0	0	112.4	V548 R549 S564	S545-V548 PolarHBondContact O-N 3.21Å; S545-R549 WeakPolarHBondContact O-CB 3.25Å; S545-R549 WeakPolarHBondContact O-CG 3.45Å; S545-R549 PolarHBondContact O-N 3.05Å; S545-S564 WeakPolarHBondContact CA-O 3.42Å; S545-S564 WeakPolarHBondContact CB-O 3.5Å; S545-S564 PolarHBondContact OG-O 3.41Å
546	Q	86.3	Confident	90.1	Very high	89 Å²	89	44.6 Å²	44.6	42%	0.416	22%	0.219	S	C	.	.	H	α-helix	trans	-65.8	-48.5	178.9	-171	55.5	38.4	0	0	111.8	S544 V548 R549 D550	S544-Q546 PolarHBondContact O-N 3.47Å; S544-Q546 VanDerWaalsContact O-N 3.15Å; Q546-V548 VanDerWaalsContact C-N 3.31Å; Q546-V548 PolarHBondContact O-N 3.17Å; Q546-R549 PolarHBondContact O-N 2.88Å; Q546-R549 VanDerWaalsContact OE1-NH2 3.11Å; Q546-D550 VanDerWaalsContact NE2-CG 3.26Å; Q546-D550 PolarHBondContact NE2-OD1 3.34Å; Q546-D550 PolarHBondContact NE2-OD2 3.14Å; Q546-D550 WeakPolarHBondContact O-CB 3.32Å; Q546-D550 VanDerWaalsContact O-CG 3.3Å; Q546-D550 PolarHBondContact O-N 2.89Å
547	L	88.3	Confident	89.8	Confident	33 Å²	33	47.9 Å²	47.9	17%	0.173	25%	0.253	C	S	.	.	H	α-helix	trans	-57.4	-45.3	175.8	178.2	65.8	0	0	0	111.4	I463 E465 S544 D550 I551	I463-L547 HydrophobicContact CG2-CD2 4.49Å; E465-L547 HydrophobicContact CB-CD2 4.49Å; E465-L547 HydrophobicContact CG-CD2 4.03Å; S544-L547 PolarHBondContact O-N 3.11Å; S544-L547 VanDerWaalsContact O-N 3.12Å; S544-L547 PolarHBondContact OG-N 3.13Å; L547-D550 PolarHBondContact O-N 2.76Å; L547-I551 HydrophobicContact CD1-CD1 3.82Å; L547-I551 HydrophobicContact CD1-CG1 4.36Å; L547-I551 HydrophobicContact CG-CD1 3.84Å; L547-I551 WeakPolarHBondContact O-CG1 3.47Å; L547-I551 PolarHBondContact O-N 2.93Å
548	V	90	Very high	89.7	Confident	4 Å²	4	45.9 Å²	45.9	2%	0.024	24%	0.243	C	C	.	.	H	α-helix	trans	-61.2	-47.6	179.5	177.9	0	0	0	0	110.8	P541 S544 S545 Q546 D550 I551 Q552	P541-V548 HydrophobicContact CB-CG2 4.01Å; P541-V548 HydrophobicContact CG-CB 4.31Å; P541-V548 HydrophobicContact CG-CG1 3.95Å; P541-V548 HydrophobicContact CG-CG2 4.01Å; S544-V548 WeakPolarHBondContact O-CG2 3.32Å; S544-V548 PolarHBondContact O-N 3.39Å; S544-V548 VanDerWaalsContact O-N 3.13Å; S545-V548 PolarHBondContact O-N 3.21Å; Q546-V548 VanDerWaalsContact C-N 3.31Å; Q546-V548 PolarHBondContact O-N 3.17Å; V548-D550 VanDerWaalsContact C-N 3.35Å; V548-D550 PolarHBondContact O-N 3.31Å; V548-I551 PolarHBondContact O-N 3.04Å; V548-Q552 HydrophobicContact CG1-CG 4.4Å; V548-Q552 WeakPolarHBondContact O-CB 3.28Å; V548-Q552 VanDerWaalsContact O-CG 3.32Å; V548-Q552 WeakPolarHBondContact O-CG 3.49Å; V548-Q552 PolarHBondContact O-N 3.37Å
549	R	88.8	Confident	89.6	Confident	80 Å²	80	49.2 Å²	49.2	30%	0.302	27%	0.265	S	S	.	.	H	α-helix	trans	-63.1	-39.5	178.6	-75.1	-173.7	-63.8	-108.7	-1	112.6	S545 Q546 Q552 R553 E565	S545-R549 WeakPolarHBondContact O-CB 3.25Å; S545-R549 WeakPolarHBondContact O-CG 3.45Å; S545-R549 PolarHBondContact O-N 3.05Å; Q546-R549 PolarHBondContact O-N 2.88Å; Q546-R549 VanDerWaalsContact OE1-NH2 3.11Å; R549-Q552 PolarHBondContact O-N 3.17Å; R549-R553 WeakPolarHBondContact O-CB 3.49Å; R549-R553 PolarHBondContact O-N 3.06Å; R549-E565 IonicContact NH1-OE1 3.95Å; R549-E565 PolarHBondContact NH1-OE1 3.27Å
550	D	89.1	Confident	89.5	Confident	61 Å²	61	51 Å²	51	33%	0.326	28%	0.276	S	S	.	.	H	α-helix	trans	-68.1	-39.4	179	-69.4	-27.2	0	0	0	111.4	Q546 L547 V548 R553 A554	Q546-D550 VanDerWaalsContact NE2-CG 3.26Å; Q546-D550 PolarHBondContact NE2-OD1 3.34Å; Q546-D550 PolarHBondContact NE2-OD2 3.14Å; Q546-D550 WeakPolarHBondContact O-CB 3.32Å; Q546-D550 VanDerWaalsContact O-CG 3.3Å; Q546-D550 PolarHBondContact O-N 2.89Å; L547-D550 PolarHBondContact O-N 2.76Å; V548-D550 VanDerWaalsContact C-N 3.35Å; V548-D550 PolarHBondContact O-N 3.31Å; D550-R553 PolarHBondContact O-N 2.89Å; D550-R553 IonicContact OD1-CZ 3.2Å; D550-R553 IonicContact OD1-NH1 2.81Å; D550-R553 PolarHBondContact OD1-NH1 2.95Å; D550-R553 IonicContact OD1-NH2 3.28Å; D550-A554 WeakPolarHBondContact O-CB 3.49Å; D550-A554 PolarHBondContact O-N 3.35Å
551	I	91.4	Very high	89.4	Confident	1 Å²	1	51.3 Å²	51.3	1%	0.005	28%	0.277	C	S	.	.	H	α-helix	trans	-64.8	-45.4	172.9	-71.7	166.4	0	0	0	111.2	I463 V526 I539 P541 L547 V548 R553 A554 A555 V560	I463-I551 HydrophobicContact CB-CD1 3.96Å; I463-I551 HydrophobicContact CD1-CD1 3.62Å; I463-I551 HydrophobicContact CD1-CG1 4.13Å; I463-I551 HydrophobicContact CG1-CD1 4.41Å; I463-I551 HydrophobicContact CG2-CD1 3.92Å; V526-I551 HydrophobicContact CG1-CD1 4.2Å; V526-I551 HydrophobicContact CG1-CG1 3.68Å; I539-I551 HydrophobicContact CG2-CG2 3.69Å; P541-I551 HydrophobicContact CB-CD1 3.6Å; P541-I551 HydrophobicContact CB-CG2 4.5Å; L547-I551 HydrophobicContact CD1-CD1 3.82Å; L547-I551 HydrophobicContact CD1-CG1 4.36Å; L547-I551 HydrophobicContact CG-CD1 3.84Å; L547-I551 WeakPolarHBondContact O-CG1 3.47Å; L547-I551 PolarHBondContact O-N 2.93Å; V548-I551 PolarHBondContact O-N 3.04Å; I551-R553 VanDerWaalsContact C-N 3.25Å; I551-R553 PolarHBondContact O-N 2.95Å; I551-A554 PolarHBondContact O-N 3.48Å; I551-A555 WeakPolarHBondContact O-CB 3.46Å; I551-A555 PolarHBondContact O-N 3.23Å; I551-V560 HydrophobicContact CG2-CG1 4.2Å; I551-V560 HydrophobicContact CG2-CG2 4.35Å
552	Q	89.3	Confident	89.1	Confident	81 Å²	81	51.6 Å²	51.6	38%	0.379	28%	0.281	S	S	.	.	H	α-helix	trans	-59.8	-35.7	176.1	-75.1	173.8	-24.2	0	0	112.4	V548 R549 V560	V548-Q552 HydrophobicContact CG1-CG 4.4Å; V548-Q552 WeakPolarHBondContact O-CB 3.28Å; V548-Q552 VanDerWaalsContact O-CG 3.32Å; V548-Q552 WeakPolarHBondContact O-CG 3.49Å; V548-Q552 PolarHBondContact O-N 3.37Å; R549-Q552 PolarHBondContact O-N 3.17Å; Q552-V560 HydrophobicContact CG-CB 4.29Å; Q552-V560 HydrophobicContact CG-CG1 4Å
553	R	87.9	Confident	88.9	Confident	168 Å²	168	51.3 Å²	51.3	63%	0.634	28%	0.282	S	S	*	.	H	α-helix	trans	-72.7	-36.9	176.4	-167.3	-173.4	-60.8	121.8	3.7	112.2	R549 D550 I551	R549-R553 WeakPolarHBondContact O-CB 3.49Å; R549-R553 PolarHBondContact O-N 3.06Å; D550-R553 PolarHBondContact O-N 2.89Å; D550-R553 IonicContact OD1-CZ 3.2Å; D550-R553 IonicContact OD1-NH1 2.81Å; D550-R553 PolarHBondContact OD1-NH1 2.95Å; D550-R553 IonicContact OD1-NH2 3.28Å; I551-R553 VanDerWaalsContact C-N 3.25Å; I551-R553 PolarHBondContact O-N 2.95Å
554	A	86.9	Confident	88.6	Confident	24 Å²	24	51.9 Å²	51.9	20%	0.198	28%	0.283	C	S	.	.	H	α-helix	trans	-78.7	-36.8	-178.2	0	0	0	0	0	113.1	E527 C530 D550 I551 K556	E527-A554 HydrophobicContact CG-CB 4.26Å; C530-A554 HydrophobicContact CB-CB 3.98Å; D550-A554 WeakPolarHBondContact O-CB 3.49Å; D550-A554 PolarHBondContact O-N 3.35Å; I551-A554 PolarHBondContact O-N 3.48Å; A554-K556 PolarHBondContact O-N 3.01Å
555	A	89.1	Confident	88.7	Confident	15 Å²	15	53 Å²	53	12%	0.124	28%	0.283	C	S	.	.			trans	-71.1	97.7	-178.6	0	0	0	0	0	111	C530 I539 I551 V560	C530-A555 HydrophobicContact CB-CB 4.34Å; I539-A555 HydrophobicContact CD1-CB 3.94Å; I551-A555 WeakPolarHBondContact O-CB 3.46Å; I551-A555 PolarHBondContact O-N 3.23Å; A555-V560 HydrophobicContact CB-CG2 3.54Å
556	K	84.2	Confident	89	Confident	169 Å²	169	51.4 Å²	51.4	74%	0.735	27%	0.272	S	S	*	.	S	Bend	trans	-103.8	110.3	172	-67.7	-177.5	-178.8	177.2	0	108.6	A554	A554-K556 PolarHBondContact O-N 3.01Å
557	G	88.4	Confident	89.5	Confident	70 Å²	70	47.2 Å²	47.2	72%	0.722	25%	0.252	S	S	*	.	S	Bend	trans	101.1	-31.5	177.5	0	0	0	0	0	114.4
558	I	93.9	Very high	90	Very high	9 Å²	9	45.6 Å²	45.6	5%	0.046	24%	0.244	C	C	.	.	S	Bend	trans	-88.3	126	176.7	-50.8	165	0	0	0	109.9	D533 I536 I539	D533-I558 HydrophobicContact CB-CD1 4.42Å; D533-I558 HydrophobicContact CB-CG1 3.81Å; I536-I558 HydrophobicContact CB-CD1 4.08Å; I536-I558 HydrophobicContact CG2-CD1 4.38Å; I536-I558 HydrophobicContact CG2-CG2 4.19Å; I539-I558 HydrophobicContact CD1-CB 3.96Å; I539-I558 HydrophobicContact CD1-CD1 3.93Å; I539-I558 HydrophobicContact CD1-CG2 3.91Å; I539-I558 HydrophobicContact CG1-CB 4.34Å; I539-I558 HydrophobicContact CG1-CG2 3.71Å
559	P	94.6	Very high	90.4	Very high	79 Å²	79	45.4 Å²	45.4	51%	0.513	24%	0.243	S	C	.	.			trans	-60.2	142.2	172.8	-21.4	32.8	0	0	0	111.9	D537 L538 I539	D537-P559 WeakPolarHBondContact O-CD 3.45Å; L538-P559 HydrophobicContact CD1-CB 3.91Å; I539-P559 PolarHBondContact N-O 3.43Å
560	V	94.8	Very high	90.9	Very high	38 Å²	38	41.6 Å²	41.6	23%	0.23	23%	0.228	C	C	.	.	B	Isolated β-bridge	trans	-116.2	121.7	177.1	-174.9	0	0	0	0	109.1	I539 P541 I551 Q552 A555	I539-V560 HydrophobicContact CB-CG2 4.31Å; I539-V560 CarbonylContact O-C 3.59Å; I539-V560 WeakPolarHBondContact O-CA 3.47Å; P541-V560 HydrophobicContact CG-CG1 3.82Å; I551-V560 HydrophobicContact CG2-CG1 4.2Å; I551-V560 HydrophobicContact CG2-CG2 4.35Å; Q552-V560 HydrophobicContact CG-CB 4.29Å; Q552-V560 HydrophobicContact CG-CG1 4Å; A555-V560 HydrophobicContact CB-CG2 3.54Å
561	L	93.4	Very high	91.4	Very high	8 Å²	8	38.7 Å²	38.7	4%	0.042	21%	0.213	C	C	.	.			trans	-106.3	117.5	177.8	-178.7	157.7	0	0	0	110.5	L538 I539 I540 P541 V724 A733 V737	L538-L561 HydrophobicContact CD1-CB 3.97Å; L538-L561 HydrophobicContact CD2-CB 4.24Å; L538-L561 HydrophobicContact CD2-CD1 4.22Å; L538-L561 HydrophobicContact CG-CB 4.37Å; I539-L561 PolarHBondContact O-N 3.17Å; I540-L561 HydrophobicContact CG1-CB 4.47Å; P541-L561 WeakPolarHBondContact CD-O 3.3Å; L561-V724 HydrophobicContact CD2-CG2 4.33Å; L561-A733 HydrophobicContact CD1-CB 4.34Å; L561-V737 HydrophobicContact CD1-CG1 4.03Å; L561-V737 HydrophobicContact CD1-CG2 4.34Å; L561-V737 HydrophobicContact CD2-CB 4.31Å; L561-V737 HydrophobicContact CD2-CG1 4.36Å; L561-V737 HydrophobicContact CD2-CG2 4Å
562	G	87.6	Confident	91.7	Very high	12 Å²	12	38.7 Å²	38.7	12%	0.124	21%	0.213	C	C	.	.	S	Bend	trans	168.9	-165.4	176.6	0	0	0	0	0	111	I726	G562-I726 CarbonylContact C-O 3.59Å
563	H	85.9	Confident	92.1	Very high	37 Å²	37	35.2 Å²	35.2	17%	0.171	20%	0.197	C	C	.	.			trans	-133.8	143	174.1	71.9	90.5	0	0	0	108.9	E565 C596 H679 I726 T728	H563-E565 PolarHBondContact ND1-O 3.39Å; H563-C596 WeakPolarHBondContact CE1-CB 3.3Å; H563-C596 VanDerWaalsContact CE1-SG 3.58Å; H563-C596 PolarHBondContact NE2-SG 3.41Å; H563-C596 VanDerWaalsContact NE2-SG 3.45Å; H563-H679 AromaticContact ND1-CD2 3.97Å; H563-I726 PolarHBondContact CD2-O 3.29Å; H563-I726 VanDerWaalsContact CD2-O 3.26Å; H563-I726 PolarHBondContact N-O 2.98Å; H563-T728 HydrophobicContact CB-CG2 3.83Å
564	S	82.3	Confident	92.5	Very high	31 Å²	31	28.8 Å²	28.8	22%	0.217	18%	0.18	C	C	.	.	S	Bend	trans	-89.4	-25.8	176.6	52.8	0	0	0	0	112.4	S545	S545-S564 WeakPolarHBondContact CA-O 3.42Å; S545-S564 WeakPolarHBondContact CB-O 3.5Å; S545-S564 PolarHBondContact OG-O 3.41Å
565	E	86.1	Confident	93	Very high	70 Å²	70	31.9 Å²	31.9	33%	0.327	19%	0.193	S	C	.	.			trans	-147.2	152.7	-168.9	-62.7	176.9	-174.5	0	0	111.4	R549 H563 E651 S677	R549-E565 IonicContact NH1-OE1 3.95Å; R549-E565 PolarHBondContact NH1-OE1 3.27Å; H563-E565 PolarHBondContact ND1-O 3.39Å; E565-E651 WeakPolarHBondContact CA-OE2 3.37Å; E565-S677 WeakPolarHBondContact O-CB 3.5Å; E565-S677 PolarHBondContact O-OG 3.47Å
566	G	91.6	Very high	93.3	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	19%	0.191	C	C	.	.			trans	-127.5	44	-172.3	0	0	0	0	0	114.5	C568 C596 E651	G566-C568 PolarHBondContact O-N 2.97Å; G566-C568 PolarHBondContact O-SG 2.92Å; G566-C596 CarbonylContact C-O 3.36Å; G566-C596 WeakPolarHBondContact CA-O 3.45Å; G566-E651 VanDerWaalsContact N-CD 3.34Å; G566-E651 PolarHBondContact N-OE2 3.03Å
567	I	97.1	Very high	94	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.005	17%	0.171	C	C	.	.			trans	-79.2	89.9	-178.4	-53.4	161.4	0	0	0	109	E600 R649 E651 S677	I567-E600 HydrophobicContact CG2-CB 4.5Å; I567-R649 HydrophobicContact CD1-CB 4.14Å; I567-R649 WeakPolarHBondContact CD1-O 3.34Å; I567-E651 HydrophobicContact CG1-CB 4.13Å; I567-S677 PolarHBondContact N-OG 2.93Å; I567-S677 PolarHBondContact O-N 3.48Å
568	C	98.4	Very high	94.3	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	141.8	-176.1	-60.1	0	0	0	0	111.7	G566 C596 S598 E600 T601 T680	G566-C568 PolarHBondContact O-N 2.97Å; G566-C568 PolarHBondContact O-SG 2.92Å; C568-C596 PolarHBondContact SG-O 3.19Å; C568-S598 WeakPolarHBondContact CB-O 3.39Å; C568-E600 PolarHBondContact O-N 2.71Å; C568-T601 PolarHBondContact O-N 2.78Å; C568-T680 VanDerWaalsContact CA-O 3.28Å; C568-T680 WeakPolarHBondContact CA-O 3.34Å; C568-T680 WeakPolarHBondContact CB-O 3.38Å; C568-T680 PolarHBondContact SG-O 2.95Å; C568-T680 VanDerWaalsContact SG-O 3.4Å
569	H	98.8	Very high	94.4	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	146.9	-179.6	-56.9	71.1	0	0	0	112.4	T601 H671 I672 G676 D681 V682	H569-T601 VanDerWaalsContact CA-O 3.29Å; H569-T601 WeakPolarHBondContact CA-O 3.35Å; H569-T601 VanDerWaalsContact CD2-CB 3.43Å; H569-T601 WeakPolarHBondContact CD2-CB 3.48Å; H569-H671 AromaticContact CD2-CD2 3.85Å; H569-H671 AromaticContact NE2-CD2 3.65Å; H569-H671 AromaticContact NE2-NE2 3.86Å; H569-I672 HydrophobicContact CB-CD1 4.04Å; H569-I672 HydrophobicContact CB-CG1 3.8Å; H569-G676 VanDerWaalsContact CE1-CA 3.46Å; H569-G676 WeakPolarHBondContact CE1-CA 3.42Å; H569-D681 VanDerWaalsContact CB-OD1 3.27Å; H569-D681 WeakPolarHBondContact CB-OD1 3.5Å; H569-D681 IonicContact CG-OD1 3.66Å; H569-D681 PolarHBondContact N-OD1 3.33Å; H569-D681 IonicContact ND1-OD1 2.76Å; H569-D681 PolarHBondContact ND1-OD1 2.82Å; H569-D681 WeakPolarHBondContact O-CA 3.22Å; H569-V682 PolarHBondContact O-N 3.49Å
570	V	98.8	Very high	94.6	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	120.5	159.9	179.7	0	0	0	0	107.4	I584 V585 M599 T601 L602 L603 V682 V684	V570-I584 HydrophobicContact CG1-CG2 4.34Å; V570-V585 HydrophobicContact CG1-CG2 4.23Å; V570-M599 HydrophobicContact CB-CG 4.18Å; V570-M599 HydrophobicContact CB-SD 3.63Å; V570-M599 HydrophobicContact CG2-CB 4.02Å; V570-M599 HydrophobicContact CG2-CG 3.72Å; V570-M599 HydrophobicContact CG2-SD 3.56Å; V570-M599 VanDerWaalsContact CG2-SD 3.56Å; V570-T601 PolarHBondContact N-O 3.01Å; V570-T601 VanDerWaalsContact N-O 3.08Å; V570-L602 HydrophobicContact CB-CD1 4.11Å; V570-L602 HydrophobicContact CG1-CD1 4.23Å; V570-L603 PolarHBondContact O-N 3.29Å; V570-V682 CarbonylContact C-O 3.59Å; V570-V682 WeakPolarHBondContact CA-O 3.3Å; V570-V682 HydrophobicContact CB-CB 4.49Å; V570-V682 HydrophobicContact CG1-CB 4.4Å; V570-V682 HydrophobicContact CG1-CG1 4.46Å; V570-V682 HydrophobicContact CG2-CB 4.11Å; V570-V682 HydrophobicContact CG2-CG2 4.33Å; V570-V684 HydrophobicContact CG1-CG2 4Å
571	Y	98.7	Very high	94.7	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	119.9	174.4	170.3	-131.2	0	0	0	110.3	D573 L603 H605 V662 L665 A668 V682 I683 V684 F695	Y571-D573 HydrophobicContact CE1-CB 4.03Å; Y571-D573 PolarHBondContact OH-OD1 2.8Å; Y571-D573 VanDerWaalsContact OH-OD1 3.11Å; Y571-L603 CarbonylContact C-O 3.55Å; Y571-L603 WeakPolarHBondContact CA-O 3.41Å; Y571-L603 HydrophobicContact CD2-CB 4Å; Y571-H605 HydrophobicContact CE2-CB 4.34Å; Y571-V662 HydrophobicContact CD2-CG2 4.02Å; Y571-V662 HydrophobicContact CE2-CG2 3.6Å; Y571-L665 HydrophobicContact CE1-CB 4.49Å; Y571-L665 HydrophobicContact CE1-CD1 4.16Å; Y571-L665 PolarHBondContact OH-N 3.24Å; Y571-A668 HydrophobicContact CD1-CB 3.76Å; Y571-A668 HydrophobicContact CD2-CB 3.74Å; Y571-A668 HydrophobicContact CE1-CB 3.91Å; Y571-A668 HydrophobicContact CE2-CB 3.91Å; Y571-A668 HydrophobicContact CG-CB 3.68Å; Y571-V682 PolarHBondContact N-O 3.08Å; Y571-I683 HydrophobicContact CD1-CB 4.41Å; Y571-I683 HydrophobicContact CD1-CD1 3.79Å; Y571-I683 HydrophobicContact CD1-CG1 3.79Å; Y571-I683 HydrophobicContact CE1-CD1 3.89Å; Y571-I683 HydrophobicContact CE1-CG1 4.29Å; Y571-I683 CarbonylContact O-C 3.57Å; Y571-I683 WeakPolarHBondContact O-CA 3.33Å; Y571-V684 PolarHBondContact O-N 3.19Å; Y571-F695 HydrophobicContact CD1-CD2 4.16Å; Y571-F695 AromaticContact CD1-CE2 3.96Å; Y571-F695 HydrophobicContact CD1-CE2 3.96Å; Y571-F695 HydrophobicContact CG-CE2 4.49Å
572	V	98.6	Very high	94.9	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	109.5	173.8	-169	0	0	0	0	108.7	A576 V581 V585 L602 L603 H605 I608 M613	V572-A576 HydrophobicContact CG1-CB 3.66Å; V572-V581 HydrophobicContact CG1-CG1 4.03Å; V572-V581 HydrophobicContact CG1-CG2 3.58Å; V572-V581 HydrophobicContact CG2-CG1 3.98Å; V572-V585 HydrophobicContact CG2-CG2 4.49Å; V572-L602 HydrophobicContact CG2-CD1 3.82Å; V572-L603 PolarHBondContact N-O 3.16Å; V572-H605 WeakPolarHBondContact O-CB 3.49Å; V572-H605 PolarHBondContact O-N 2.96Å; V572-I608 HydrophobicContact CB-CD1 3.99Å; V572-I608 HydrophobicContact CG1-CD1 3.49Å; V572-I608 VanDerWaalsContact CG1-CD1 3.49Å; V572-I608 VanDerWaalsContact O-CD1 3.28Å; V572-I608 WeakPolarHBondContact O-CD1 3.41Å; V572-M613 HydrophobicContact CG1-SD 4.19Å
573	D	98.1	Very high	95.4	Very high	9 Å²	9	34.2 Å²	34.2	5%	0.048	18%	0.179	C	C	.	.			trans	-80.9	161	-179	179.8	47.8	0	0	0	112.7	Y571 D575 A576 I608 V684 T685	Y571-D573 HydrophobicContact CE1-CB 4.03Å; Y571-D573 PolarHBondContact OH-OD1 2.8Å; Y571-D573 VanDerWaalsContact OH-OD1 3.11Å; D573-D575 PolarHBondContact O-N 2.86Å; D573-D575 PolarHBondContact OD2-N 3.48Å; D573-A576 WeakPolarHBondContact O-CB 3.47Å; D573-A576 PolarHBondContact O-N 3.4Å; D573-A576 VanDerWaalsContact O-N 3.07Å; D573-I608 WeakPolarHBondContact O-CD1 3.36Å; D573-V684 WeakPolarHBondContact CB-O 3.14Å; D573-V684 PolarHBondContact N-O 3.06Å; D573-V684 VanDerWaalsContact N-O 3.07Å; D573-T685 WeakPolarHBondContact OD2-CB 3.45Å; D573-T685 PolarHBondContact OD2-OG1 2.89Å
574	A	96.3	Very high	96	Very high	33 Å²	33	33 Å²	33	27%	0.273	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-38	-179.6	0	0	0	0	0	113	A576	A574-A576 VanDerWaalsContact C-N 3.29Å; A574-A576 PolarHBondContact O-N 3.29Å
575	D	96	Very high	96.8	Very high	89 Å²	89	31.6 Å²	31.6	48%	0.476	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	19.4	-177.9	-64.4	-41.5	0	0	0	113.2	D573 E686 N687	D573-D575 PolarHBondContact O-N 2.86Å; D573-D575 PolarHBondContact OD2-N 3.48Å; D575-E686 WeakPolarHBondContact O-CB 3.37Å; D575-E686 WeakPolarHBondContact O-CG 3.43Å; D575-E686 PolarHBondContact O-N 3.14Å; D575-N687 HydrophobicContact CB-CB 4.22Å
576	A	96.9	Very high	97.4	Very high	11 Å²	11	33.4 Å²	33.4	9%	0.091	17%	0.167	C	C	.	.			trans	-68.9	141	-177.9	0	0	0	0	0	113.3	V572 D573 A574 V578 V581 M613 V684	V572-A576 HydrophobicContact CG1-CB 3.66Å; D573-A576 WeakPolarHBondContact O-CB 3.47Å; D573-A576 PolarHBondContact O-N 3.4Å; D573-A576 VanDerWaalsContact O-N 3.07Å; A574-A576 VanDerWaalsContact C-N 3.29Å; A574-A576 PolarHBondContact O-N 3.29Å; A576-V578 PolarHBondContact O-N 2.86Å; A576-V581 HydrophobicContact CB-CG2 3.63Å; A576-M613 HydrophobicContact CB-CE 4.38Å; A576-M613 HydrophobicContact CB-SD 4.41Å; A576-M613 WeakPolarHBondContact O-CE 3.11Å; A576-V684 HydrophobicContact CB-CG1 4.25Å; A576-V684 WeakPolarHBondContact CB-O 3.5Å
577	N	97.3	Very high	97.7	Very high	58 Å²	58	36.3 Å²	36.3	31%	0.31	18%	0.183	S	C	.	.			trans	-78.3	122.7	168.8	179.3	-80.1	0	0	0	111.3	D579 K580 V581 E686	N577-D579 VanDerWaalsContact C-N 3.32Å; N577-D579 PolarHBondContact O-N 2.9Å; N577-D579 WeakPolarHBondContact OD1-CB 3.42Å; N577-D579 PolarHBondContact OD1-N 3.28Å; N577-K580 HydrophobicContact CB-CB 4.3Å; N577-K580 HydrophobicContact CB-CD 4.16Å; N577-K580 HydrophobicContact CB-CG 4.14Å; N577-K580 PolarHBondContact O-N 3.32Å; N577-K580 VanDerWaalsContact O-N 3.12Å; N577-K580 PolarHBondContact OD1-N 2.88Å; N577-V581 WeakPolarHBondContact O-CG2 3.49Å; N577-V581 PolarHBondContact O-N 2.98Å; N577-E686 HydrophobicContact CB-CG 3.95Å; N577-E686 WeakPolarHBondContact CB-OE1 3.4Å
578	V	95.8	Very high	97.7	Very high	37 Å²	37	36.2 Å²	36.2	22%	0.224	18%	0.182	C	C	.	.	H	α-helix	trans	-54.6	-40.9	-176.6	61.1	0	0	0	0	114	A576 V581 I582 M613 K616	A576-V578 PolarHBondContact O-N 2.86Å; V578-V581 PolarHBondContact O-N 2.98Å; V578-I582 HydrophobicContact CG2-CD1 3.91Å; V578-I582 VanDerWaalsContact O-CG1 3.26Å; V578-I582 WeakPolarHBondContact O-CG1 3.36Å; V578-I582 PolarHBondContact O-N 3.46Å; V578-I582 VanDerWaalsContact O-N 3.12Å; V578-M613 HydrophobicContact CB-CE 4.09Å; V578-M613 HydrophobicContact CB-CG 4.2Å; V578-M613 HydrophobicContact CG2-CB 4.3Å; V578-M613 HydrophobicContact CG2-CG 3.96Å; V578-K616 HydrophobicContact CG2-CD 3.77Å
579	D	96.3	Very high	97.7	Very high	94 Å²	94	36.2 Å²	36.2	50%	0.503	18%	0.182	S	C	.	.	H	α-helix	trans	-71.7	-33.7	-177	-62.1	-38.5	0	0	0	111.5	N577 K583	N577-D579 VanDerWaalsContact C-N 3.32Å; N577-D579 PolarHBondContact O-N 2.9Å; N577-D579 WeakPolarHBondContact OD1-CB 3.42Å; N577-D579 PolarHBondContact OD1-N 3.28Å; D579-K583 WeakPolarHBondContact O-CG 3.4Å; D579-K583 PolarHBondContact O-N 3.49Å
580	K	97.9	Very high	97.6	Very high	75 Å²	75	37.4 Å²	37.4	33%	0.326	19%	0.19	S	C	.	.	H	α-helix	trans	-68.7	-45.7	173	-66	-174.7	-170.2	166.5	0	111	N577 I582 K583 I584 V684 E686 N707	N577-K580 HydrophobicContact CB-CB 4.3Å; N577-K580 HydrophobicContact CB-CD 4.16Å; N577-K580 HydrophobicContact CB-CG 4.14Å; N577-K580 PolarHBondContact O-N 3.32Å; N577-K580 VanDerWaalsContact O-N 3.12Å; N577-K580 PolarHBondContact OD1-N 2.88Å; K580-I582 PolarHBondContact O-N 3.44Å; K580-K583 PolarHBondContact O-N 3.36Å; K580-I584 HydrophobicContact CB-CD1 4.23Å; K580-I584 WeakPolarHBondContact O-CB 3.36Å; K580-I584 VanDerWaalsContact O-CG1 3.26Å; K580-I584 WeakPolarHBondContact O-CG1 3.35Å; K580-I584 PolarHBondContact O-N 3.46Å; K580-V684 HydrophobicContact CB-CG1 4.31Å; K580-E686 VanDerWaalsContact CD-OE1 3.31Å; K580-E686 WeakPolarHBondContact CD-OE1 3.36Å; K580-E686 VanDerWaalsContact CE-OE1 3.31Å; K580-E686 WeakPolarHBondContact CE-OE1 3.43Å; K580-E686 IonicContact NZ-OE1 3.9Å; K580-E686 PolarHBondContact NZ-OE1 2.94Å; K580-E686 IonicContact NZ-OE2 3.47Å; K580-E686 PolarHBondContact NZ-OE2 3.07Å; K580-N707 HydrophobicContact CD-CB 4.48Å
581	V	98.1	Very high	97.3	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-54.8	-51.2	179.1	174.1	0	0	0	0	111.1	V572 A576 N577 V578 K583 I584 V585 M613 I617 V684	V572-V581 HydrophobicContact CG1-CG1 4.03Å; V572-V581 HydrophobicContact CG1-CG2 3.58Å; V572-V581 HydrophobicContact CG2-CG1 3.98Å; A576-V581 HydrophobicContact CB-CG2 3.63Å; N577-V581 WeakPolarHBondContact O-CG2 3.49Å; N577-V581 PolarHBondContact O-N 2.98Å; V578-V581 PolarHBondContact O-N 2.98Å; V581-K583 VanDerWaalsContact C-N 3.32Å; V581-K583 PolarHBondContact O-N 2.64Å; V581-I584 PolarHBondContact O-N 2.93Å; V581-V585 HydrophobicContact CG1-CG2 4.03Å; V581-V585 WeakPolarHBondContact O-CB 3.38Å; V581-V585 VanDerWaalsContact O-CG2 3.3Å; V581-V585 WeakPolarHBondContact O-CG2 3.27Å; V581-V585 PolarHBondContact O-N 2.84Å; V581-M613 HydrophobicContact CG2-SD 4.15Å; V581-I617 HydrophobicContact CG1-CD1 3.69Å; V581-I617 HydrophobicContact CG1-CG1 3.79Å; V581-V684 HydrophobicContact CG2-CB 4.22Å; V581-V684 HydrophobicContact CG2-CG1 3.57Å
582	I	97	Very high	96.9	Very high	37 Å²	37	44.9 Å²	44.9	19%	0.19	23%	0.225	C	C	.	.	H	α-helix	trans	-58.3	-45.3	-178.5	-69	170.7	0	0	0	111.1	V578 K580 R586 K616 I620	V578-I582 HydrophobicContact CG2-CD1 3.91Å; V578-I582 VanDerWaalsContact O-CG1 3.26Å; V578-I582 WeakPolarHBondContact O-CG1 3.36Å; V578-I582 PolarHBondContact O-N 3.46Å; V578-I582 VanDerWaalsContact O-N 3.12Å; K580-I582 PolarHBondContact O-N 3.44Å; I582-R586 VanDerWaalsContact O-CB 3.27Å; I582-R586 WeakPolarHBondContact O-CB 3.24Å; I582-R586 PolarHBondContact O-N 3.37Å; I582-K616 HydrophobicContact CD1-CB 3.95Å; I582-K616 HydrophobicContact CD1-CD 3.97Å; I582-K616 HydrophobicContact CG1-CB 4.49Å; I582-I620 HydrophobicContact CG2-CD1 3.25Å
583	K	97.9	Very high	96.4	Very high	136 Å²	136	46 Å²	46	59%	0.591	23%	0.232	S	C	*	.	H	α-helix	trans	-65.3	-48.6	179.1	-72.1	175.1	-177.3	176.1	0	111.9	D579 K580 V581 D587	D579-K583 WeakPolarHBondContact O-CG 3.4Å; D579-K583 PolarHBondContact O-N 3.49Å; K580-K583 PolarHBondContact O-N 3.36Å; V581-K583 VanDerWaalsContact C-N 3.32Å; V581-K583 PolarHBondContact O-N 2.64Å; K583-D587 VanDerWaalsContact O-CB 3.29Å; K583-D587 WeakPolarHBondContact O-CB 3.42Å; K583-D587 PolarHBondContact O-N 3.35Å
584	I	98.6	Very high	95.9	Very high	13 Å²	13	46.5 Å²	46.5	7%	0.067	24%	0.238	C	C	.	.	H	α-helix	trans	-68	-47.3	-174.4	-68.5	166.2	0	0	0	110.8	V570 K580 V581 D587 S588 V682 V684 N707	V570-I584 HydrophobicContact CG1-CG2 4.34Å; K580-I584 HydrophobicContact CB-CD1 4.23Å; K580-I584 WeakPolarHBondContact O-CB 3.36Å; K580-I584 VanDerWaalsContact O-CG1 3.26Å; K580-I584 WeakPolarHBondContact O-CG1 3.35Å; K580-I584 PolarHBondContact O-N 3.46Å; V581-I584 PolarHBondContact O-N 2.93Å; I584-D587 PolarHBondContact O-N 2.85Å; I584-S588 WeakPolarHBondContact O-CB 3.48Å; I584-S588 PolarHBondContact O-N 3.29Å; I584-S588 PolarHBondContact O-OG 3.4Å; I584-V682 HydrophobicContact CG2-CG1 4.28Å; I584-V684 HydrophobicContact CB-CG2 4.38Å; I584-V684 HydrophobicContact CD1-CG1 4.1Å; I584-V684 HydrophobicContact CD1-CG2 3.87Å; I584-V684 HydrophobicContact CG2-CG2 3.98Å; I584-N707 HydrophobicContact CD1-CB 4.47Å; I584-N707 WeakPolarHBondContact CD1-O 3.11Å
585	V	98.3	Very high	95.6	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-64.1	-45.9	-179.2	171.7	0	0	0	0	110.8	V570 V572 V581 S588 K589 M599 L602 L621	V570-V585 HydrophobicContact CG1-CG2 4.23Å; V572-V585 HydrophobicContact CG2-CG2 4.49Å; V581-V585 HydrophobicContact CG1-CG2 4.03Å; V581-V585 WeakPolarHBondContact O-CB 3.38Å; V581-V585 VanDerWaalsContact O-CG2 3.3Å; V581-V585 WeakPolarHBondContact O-CG2 3.27Å; V581-V585 PolarHBondContact O-N 2.84Å; V585-S588 PolarHBondContact O-N 3.28Å; V585-K589 PolarHBondContact O-N 3.17Å; V585-M599 HydrophobicContact CG1-CE 4Å; V585-M599 HydrophobicContact CG1-SD 4.39Å; V585-L602 HydrophobicContact CG1-CD1 4.42Å; V585-L602 HydrophobicContact CG1-CD2 4.17Å; V585-L602 HydrophobicContact CG2-CD1 3.77Å; V585-L621 HydrophobicContact CG1-CD2 4.04Å; V585-L621 HydrophobicContact CG1-CG 4.49Å
586	R	98.1	Very high	95.4	Very high	109 Å²	109	42.6 Å²	42.6	41%	0.411	22%	0.216	S	C	.	.	H	α-helix	trans	-59.3	-51.8	176.8	-178.9	-173.4	59.5	-178.3	4.8	111	I582 S588 K589 C590 I620 E624	I582-R586 VanDerWaalsContact O-CB 3.27Å; I582-R586 WeakPolarHBondContact O-CB 3.24Å; I582-R586 PolarHBondContact O-N 3.37Å; R586-S588 PolarHBondContact O-N 3.02Å; R586-K589 PolarHBondContact O-N 2.81Å; R586-C590 HydrophobicContact CG-CB 4.3Å; R586-C590 WeakPolarHBondContact O-CA 3.34Å; R586-C590 WeakPolarHBondContact O-CB 3.13Å; R586-C590 PolarHBondContact O-N 3.16Å; R586-C590 PolarHBondContact O-SG 3.2Å; R586-C590 VanDerWaalsContact O-SG 3.36Å; R586-I620 HydrophobicContact CB-CD1 3.96Å; R586-I620 HydrophobicContact CB-CG1 4.38Å; R586-I620 HydrophobicContact CG-CD1 4.3Å; R586-E624 VanDerWaalsContact CD-OE1 3.29Å; R586-E624 WeakPolarHBondContact CD-OE1 2.98Å; R586-E624 HydrophobicContact CG-CG 4.16Å
587	D	98.3	Very high	95.3	Very high	60 Å²	60	42.3 Å²	42.3	32%	0.321	21%	0.213	S	C	.	.	H	α-helix	trans	-62.6	-44.8	-177.6	-171.6	81.9	0	0	0	111.4	K583 I584 K589 D591 S709	K583-D587 VanDerWaalsContact O-CB 3.29Å; K583-D587 WeakPolarHBondContact O-CB 3.42Å; K583-D587 PolarHBondContact O-N 3.35Å; I584-D587 PolarHBondContact O-N 2.85Å; D587-K589 VanDerWaalsContact C-N 3.26Å; D587-K589 PolarHBondContact O-N 3.41Å; D587-D591 VanDerWaalsContact O-CB 3.28Å; D587-D591 WeakPolarHBondContact O-CB 3.34Å; D587-D591 PolarHBondContact O-N 2.99Å; D587-S709 WeakPolarHBondContact OD2-CB 3.43Å; D587-S709 PolarHBondContact OD2-OG 3.4Å
588	S	98.3	Very high	95.3	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-60.5	-32.5	-177.8	-58.1	0	0	0	0	112.9	I584 V585 R586 S598 M599 S709 S710	I584-S588 WeakPolarHBondContact O-CB 3.48Å; I584-S588 PolarHBondContact O-N 3.29Å; I584-S588 PolarHBondContact O-OG 3.4Å; V585-S588 PolarHBondContact O-N 3.28Å; R586-S588 PolarHBondContact O-N 3.02Å; S588-S598 CarbonylContact O-C 3.54Å; S588-S598 VanDerWaalsContact O-CA 3.3Å; S588-S598 WeakPolarHBondContact O-CA 3.21Å; S588-S598 PolarHBondContact O-OG 2.83Å; S588-M599 PolarHBondContact O-N 3.36Å; S588-S709 PolarHBondContact N-OG 3.07Å; S588-S709 WeakPolarHBondContact OG-CA 3.17Å; S588-S709 PolarHBondContact OG-OG 3.45Å; S588-S710 WeakPolarHBondContact CB-OG 3.43Å; S588-S710 PolarHBondContact OG-N 3.2Å
589	K	97.8	Very high	95.4	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-98.3	-40.1	179.1	-179.4	74.3	-87.5	178.1	0	114.1	V585 R586 D587 P593 S598 M599 E600 V626 D654 E656 C657	V585-K589 PolarHBondContact O-N 3.17Å; R586-K589 PolarHBondContact O-N 2.81Å; D587-K589 VanDerWaalsContact C-N 3.26Å; D587-K589 PolarHBondContact O-N 3.41Å; K589-P593 WeakPolarHBondContact O-CA 3.09Å; K589-P593 WeakPolarHBondContact O-CG 3.45Å; K589-S598 WeakPolarHBondContact CE-OG 3.42Å; K589-M599 HydrophobicContact CB-CE 4.02Å; K589-M599 VanDerWaalsContact CD-O 3.27Å; K589-M599 WeakPolarHBondContact CD-O 3.28Å; K589-M599 VanDerWaalsContact CE-O 3.24Å; K589-M599 WeakPolarHBondContact CE-O 3.48Å; K589-M599 PolarHBondContact NZ-O 2.89Å; K589-E600 IonicContact NZ-OE1 2.7Å; K589-E600 IonicContact NZ-OE2 2.64Å; K589-E600 PolarHBondContact NZ-OE2 3.21Å; K589-V626 HydrophobicContact CD-CG1 4.35Å; K589-V626 HydrophobicContact CG-CG1 4.09Å; K589-V626 HydrophobicContact CG-CG2 3.99Å; K589-D654 WeakPolarHBondContact CE-O 3.5Å; K589-D654 PolarHBondContact NZ-O 3.39Å; K589-E656 WeakPolarHBondContact CD-O 3.49Å; K589-E656 WeakPolarHBondContact CE-O 3.27Å; K589-E656 PolarHBondContact NZ-O 2.81Å; K589-C657 HydrophobicContact CD-CB 3.92Å
590	C	96.2	Very high	95.5	Very high	25 Å²	25	33.3 Å²	33.3	17%	0.169	16%	0.164	C	C	.	.	H	α-helix	trans	-101.4	-20.4	-161.6	-49.7	0	0	0	0	114	R586 L655	R586-C590 HydrophobicContact CG-CB 4.3Å; R586-C590 WeakPolarHBondContact O-CA 3.34Å; R586-C590 WeakPolarHBondContact O-CB 3.13Å; R586-C590 PolarHBondContact O-N 3.16Å; R586-C590 PolarHBondContact O-SG 3.2Å; R586-C590 VanDerWaalsContact O-SG 3.36Å; C590-L655 HydrophobicContact CB-CD2 4.43Å
591	D	93.9	Very high	95.5	Very high	85 Å²	85	29.8 Å²	29.8	46%	0.455	15%	0.148	S	C	.	.	S	Bend	trans	-57.8	-53.6	179.1	168.9	69.9	0	0	0	111.4	D587 R711	D587-D591 VanDerWaalsContact O-CB 3.28Å; D587-D591 WeakPolarHBondContact O-CB 3.34Å; D587-D591 PolarHBondContact O-N 2.99Å; D591-R711 HydrophobicContact CB-CG 4.34Å; D591-R711 IonicContact OD2-CZ 2.82Å; D591-R711 VanDerWaalsContact OD2-CZ 3.28Å; D591-R711 IonicContact OD2-NE 3.75Å; D591-R711 PolarHBondContact OD2-NE 3.16Å; D591-R711 IonicContact OD2-NH2 2.7Å; D591-R711 PolarHBondContact OD2-NH2 2.8Å
592	Y	88.8	Confident	95.5	Very high	71 Å²	71	29.8 Å²	29.8	28%	0.278	15%	0.148	S	C	.	.			trans	-148.5	86.5	175.5	-173.2	-161.9	0	0	0	110.5	A594 A595	Y592-A594 HydrophobicContact CD2-CB 4.43Å; Y592-A594 HydrophobicContact CE2-CB 3.9Å; Y592-A594 PolarHBondContact O-N 3.45Å; Y592-A594 VanDerWaalsContact O-N 3.1Å; Y592-A595 HydrophobicContact CD1-CB 3.73Å; Y592-A595 HydrophobicContact CE1-CB 4.28Å; Y592-A595 HydrophobicContact CG-CB 4.05Å; Y592-A595 WeakPolarHBondContact O-CB 3.47Å; Y592-A595 PolarHBondContact O-N 3.15Å
593	P	89.8	Confident	95.6	Very high	23 Å²	23	28 Å²	28	15%	0.149	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-29.4	-170.4	-24.5	31.2	0	0	0	114.8	K589 A595 S598 S653 D654 L655	K589-P593 WeakPolarHBondContact O-CA 3.09Å; K589-P593 WeakPolarHBondContact O-CG 3.45Å; P593-A595 VanDerWaalsContact C-N 3.29Å; P593-A595 PolarHBondContact O-N 2.9Å; P593-S598 WeakPolarHBondContact O-CB 3.4Å; P593-S598 PolarHBondContact O-OG 2.64Å; P593-S653 CarbonylContact O-C 3.6Å; P593-S653 WeakPolarHBondContact O-CA 3.28Å; P593-D654 VanDerWaalsContact CB-C 3.48Å; P593-L655 HydrophobicContact CB-CD2 4.34Å; P593-L655 HydrophobicContact CG-CD2 3.52Å; P593-L655 HydrophobicContact CG-CG 3.94Å
594	A	87.2	Confident	95.6	Very high	21 Å²	21	21.5 Å²	21.5	17%	0.174	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	12.2	179	0	0	0	0	0	114.3	R409 Y592 S653	R409-A594 PolarHBondContact NH2-O 3.12Å; Y592-A594 HydrophobicContact CD2-CB 4.43Å; Y592-A594 HydrophobicContact CE2-CB 3.9Å; Y592-A594 PolarHBondContact O-N 3.45Å; Y592-A594 VanDerWaalsContact O-N 3.1Å; A594-S653 WeakPolarHBondContact CA-O 3.48Å
595	A	88.8	Confident	95.6	Very high	9 Å²	9	21.6 Å²	21.6	7%	0.074	11%	0.111	C	C	.	.	S	Bend	trans	-83.1	143.7	172.7	0	0	0	0	0	110.5	Y592 P593 N597 S598	Y592-A595 HydrophobicContact CD1-CB 3.73Å; Y592-A595 HydrophobicContact CE1-CB 4.28Å; Y592-A595 HydrophobicContact CG-CB 4.05Å; Y592-A595 WeakPolarHBondContact O-CB 3.47Å; Y592-A595 PolarHBondContact O-N 3.15Å; P593-A595 VanDerWaalsContact C-N 3.29Å; P593-A595 PolarHBondContact O-N 2.9Å; A595-N597 WeakPolarHBondContact CB-OD1 3.44Å; A595-N597 PolarHBondContact O-N 3.26Å; A595-N597 VanDerWaalsContact O-N 3.16Å; A595-S598 WeakPolarHBondContact O-CB 3.3Å; A595-S598 PolarHBondContact O-N 2.75Å
596	C	91.7	Very high	95.5	Very high	30 Å²	30	27 Å²	27	20%	0.203	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-10.1	-179.6	53.2	0	0	0	0	115.4	H563 G566 C568	H563-C596 WeakPolarHBondContact CE1-CB 3.3Å; H563-C596 VanDerWaalsContact CE1-SG 3.58Å; H563-C596 PolarHBondContact NE2-SG 3.41Å; H563-C596 VanDerWaalsContact NE2-SG 3.45Å; G566-C596 CarbonylContact C-O 3.36Å; G566-C596 WeakPolarHBondContact CA-O 3.45Å; C568-C596 PolarHBondContact SG-O 3.19Å
597	N	95.2	Very high	95.4	Very high	5 Å²	5	27.2 Å²	27.2	3%	0.027	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.4	14.2	174	65	5	0	0	0	111.8	A595 S710 R711 A713	A595-N597 WeakPolarHBondContact CB-OD1 3.44Å; A595-N597 PolarHBondContact O-N 3.26Å; A595-N597 VanDerWaalsContact O-N 3.16Å; N597-S710 CarbonylContact O-C 3.57Å; N597-S710 WeakPolarHBondContact O-CB 3.16Å; N597-S710 PolarHBondContact O-OG 3.44Å; N597-R711 VanDerWaalsContact CG-NH1 3.35Å; N597-R711 PolarHBondContact ND2-NH1 2.88Å; N597-R711 PolarHBondContact OD1-NH1 3.23Å; N597-A713 HydrophobicContact CB-CB 4.27Å; N597-A713 PolarHBondContact ND2-O 3.37Å
598	S	96.9	Very high	95.3	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.123	C	C	.	.	S	Bend	trans	-69.6	143.2	173.1	-174.3	0	0	0	0	109.6	C568 S588 K589 P593 A595 E600	C568-S598 WeakPolarHBondContact CB-O 3.39Å; S588-S598 CarbonylContact O-C 3.54Å; S588-S598 VanDerWaalsContact O-CA 3.3Å; S588-S598 WeakPolarHBondContact O-CA 3.21Å; S588-S598 PolarHBondContact O-OG 2.83Å; K589-S598 WeakPolarHBondContact CE-OG 3.42Å; P593-S598 WeakPolarHBondContact O-CB 3.4Å; P593-S598 PolarHBondContact O-OG 2.64Å; A595-S598 WeakPolarHBondContact O-CB 3.3Å; A595-S598 PolarHBondContact O-N 2.75Å; S598-E600 PolarHBondContact O-N 3.13Å
599	M	98.3	Very high	95	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	125.4	174.9	179.8	-170.2	77	0	0	109.7	V570 V585 S588 K589 L602 C657	V570-M599 HydrophobicContact CB-CG 4.18Å; V570-M599 HydrophobicContact CB-SD 3.63Å; V570-M599 HydrophobicContact CG2-CB 4.02Å; V570-M599 HydrophobicContact CG2-CG 3.72Å; V570-M599 HydrophobicContact CG2-SD 3.56Å; V570-M599 VanDerWaalsContact CG2-SD 3.56Å; V585-M599 HydrophobicContact CG1-CE 4Å; V585-M599 HydrophobicContact CG1-SD 4.39Å; S588-M599 PolarHBondContact O-N 3.36Å; K589-M599 HydrophobicContact CB-CE 4.02Å; K589-M599 VanDerWaalsContact CD-O 3.27Å; K589-M599 WeakPolarHBondContact CD-O 3.28Å; K589-M599 VanDerWaalsContact CE-O 3.24Å; K589-M599 WeakPolarHBondContact CE-O 3.48Å; K589-M599 PolarHBondContact NZ-O 2.89Å; M599-L602 HydrophobicContact CE-CB 4.01Å; M599-L602 HydrophobicContact SD-CB 3.89Å; M599-L602 HydrophobicContact SD-CD1 3.87Å; M599-L602 HydrophobicContact SD-CG 4.42Å; M599-C657 HydrophobicContact CE-CB 4.26Å
600	E	98.1	Very high	94.6	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	-29.7	174.4	-61.2	-63.1	-173.6	0	0	112	I567 C568 K589 S598 E651 Y652 S653 C657 C658	I567-E600 HydrophobicContact CG2-CB 4.5Å; C568-E600 PolarHBondContact O-N 2.71Å; K589-E600 IonicContact NZ-OE1 2.7Å; K589-E600 IonicContact NZ-OE2 2.64Å; K589-E600 PolarHBondContact NZ-OE2 3.21Å; S598-E600 PolarHBondContact O-N 3.13Å; E600-E651 HydrophobicContact CG-CG 4.26Å; E600-Y652 HydrophobicContact CB-CD2 4.5Å; E600-Y652 VanDerWaalsContact CD-N 3.27Å; E600-Y652 PolarHBondContact OE1-N 2.88Å; E600-Y652 WeakPolarHBondContact OE2-CB 3.29Å; E600-Y652 WeakPolarHBondContact OE2-CD2 3.46Å; E600-Y652 PolarHBondContact OE2-N 3.43Å; E600-Y652 VanDerWaalsContact OE2-N 3.12Å; E600-S653 PolarHBondContact OE1-N 3.43Å; E600-C657 CarbonylContact O-C 3.57Å; E600-C657 WeakPolarHBondContact O-CA 3.26Å; E600-C657 WeakPolarHBondContact O-CB 3.3Å; E600-C658 PolarHBondContact O-N 3.26Å
601	T	98.6	Very high	94.5	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.006	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	127.3	177.2	-57.8	0	0	0	0	111.2	C568 H569 V570 L603 C658	C568-T601 PolarHBondContact O-N 2.78Å; H569-T601 VanDerWaalsContact CA-O 3.29Å; H569-T601 WeakPolarHBondContact CA-O 3.35Å; H569-T601 VanDerWaalsContact CD2-CB 3.43Å; H569-T601 WeakPolarHBondContact CD2-CB 3.48Å; V570-T601 PolarHBondContact N-O 3.01Å; V570-T601 VanDerWaalsContact N-O 3.08Å; T601-L603 HydrophobicContact CG2-CD2 3.76Å; T601-L603 HydrophobicContact CG2-CG 4.29Å; T601-C658 CarbonylContact C-O 3.55Å; T601-C658 WeakPolarHBondContact CA-O 3.44Å; T601-C658 HydrophobicContact CG2-CB 4.27Å
602	L	98.6	Very high	94.5	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	113.8	170.7	-177.9	62.6	0	0	0	109.1	V570 V572 V585 M599 I604 I617 L621 C658 L659 E660	V570-L602 HydrophobicContact CB-CD1 4.11Å; V570-L602 HydrophobicContact CG1-CD1 4.23Å; V572-L602 HydrophobicContact CG2-CD1 3.82Å; V585-L602 HydrophobicContact CG1-CD1 4.42Å; V585-L602 HydrophobicContact CG1-CD2 4.17Å; V585-L602 HydrophobicContact CG2-CD1 3.77Å; M599-L602 HydrophobicContact CE-CB 4.01Å; M599-L602 HydrophobicContact SD-CB 3.89Å; M599-L602 HydrophobicContact SD-CD1 3.87Å; M599-L602 HydrophobicContact SD-CG 4.42Å; L602-I604 HydrophobicContact CD2-CD1 3.95Å; L602-I604 HydrophobicContact CD2-CG1 4.26Å; L602-I604 HydrophobicContact CG-CD1 4.19Å; L602-I604 HydrophobicContact CG-CG1 3.94Å; L602-I617 HydrophobicContact CD2-CG2 3.7Å; L602-L621 HydrophobicContact CD2-CD1 4.26Å; L602-C658 PolarHBondContact N-O 3.14Å; L602-L659 HydrophobicContact CD2-CD1 4.44Å; L602-L659 HydrophobicContact CD2-CG 4.46Å; L602-L659 WeakPolarHBondContact O-CA 3.33Å; L602-E660 PolarHBondContact O-N 2.9Å
603	L	98.7	Very high	94.8	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	127.1	173.7	-58.8	-179.4	0	0	0	109.2	V570 Y571 V572 T601 E660 V662 A668 H671 I672	V570-L603 PolarHBondContact O-N 3.29Å; Y571-L603 CarbonylContact C-O 3.55Å; Y571-L603 WeakPolarHBondContact CA-O 3.41Å; Y571-L603 HydrophobicContact CD2-CB 4Å; V572-L603 PolarHBondContact N-O 3.16Å; T601-L603 HydrophobicContact CG2-CD2 3.76Å; T601-L603 HydrophobicContact CG2-CG 4.29Å; L603-E660 WeakPolarHBondContact CA-O 3.05Å; L603-E660 HydrophobicContact CD2-CB 3.87Å; L603-E660 HydrophobicContact CD2-CG 4.35Å; L603-V662 HydrophobicContact CB-CG2 4.46Å; L603-V662 HydrophobicContact CD2-CG1 4.34Å; L603-A668 HydrophobicContact CD1-CB 4.3Å; L603-H671 HydrophobicContact CD1-CB 4.11Å; L603-I672 HydrophobicContact CD1-CD1 4.19Å; L603-I672 HydrophobicContact CD1-CG1 3.88Å
604	I	98.1	Very high	95	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	129.9	-178.8	-58.6	-172.4	0	0	0	109.4	L602 R606 I608 F614 I617 L659 E660 V661 V662	L602-I604 HydrophobicContact CD2-CD1 3.95Å; L602-I604 HydrophobicContact CD2-CG1 4.26Å; L602-I604 HydrophobicContact CG-CD1 4.19Å; L602-I604 HydrophobicContact CG-CG1 3.94Å; I604-R606 PolarHBondContact O-N 3.06Å; I604-I608 HydrophobicContact CG2-CB 3.65Å; I604-I608 HydrophobicContact CG2-CD1 3.96Å; I604-I608 HydrophobicContact CG2-CG1 4.35Å; I604-I608 HydrophobicContact CG2-CG2 3.84Å; I604-F614 HydrophobicContact CD1-CD2 4.05Å; I604-F614 HydrophobicContact CD1-CE2 4.15Å; I604-I617 HydrophobicContact CD1-CD1 4.26Å; I604-I617 HydrophobicContact CD1-CG2 4.47Å; I604-L659 HydrophobicContact CD1-CD1 3.94Å; I604-L659 HydrophobicContact CD1-CD2 3.92Å; I604-L659 HydrophobicContact CD1-CG 3.99Å; I604-L659 HydrophobicContact CG1-CD2 4.27Å; I604-L659 HydrophobicContact CG1-CG 4.48Å; I604-E660 PolarHBondContact N-O 2.76Å; I604-V661 WeakPolarHBondContact O-CA 3.31Å; I604-V662 PolarHBondContact O-N 3.27Å
605	H	98.2	Very high	95.3	Very high	15 Å²	15	40.9 Å²	40.9	7%	0.069	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61	134.4	171.4	-168.9	-91.9	0	0	0	111.1	Y571 V572 E607 I608 V662 D663	Y571-H605 HydrophobicContact CE2-CB 4.34Å; V572-H605 WeakPolarHBondContact O-CB 3.49Å; V572-H605 PolarHBondContact O-N 2.96Å; H605-E607 IonicContact CE1-OE1 3.78Å; H605-E607 PolarHBondContact ND1-N 3.35Å; H605-E607 PolarHBondContact O-N 2.98Å; H605-I608 HydrophobicContact CB-CD1 3.94Å; H605-I608 HydrophobicContact CB-CG1 4.16Å; H605-I608 WeakPolarHBondContact O-CB 3.25Å; H605-I608 PolarHBondContact O-N 2.78Å; H605-V662 WeakPolarHBondContact CA-O 3.26Å; H605-D663 PolarHBondContact NE2-O 3.43Å
606	R	96.7	Very high	95.7	Very high	113 Å²	113	44.8 Å²	44.8	43%	0.426	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.2	-33.1	-175.1	73.2	-173.3	179.1	-171.9	-0.8	115.1	I604 I608 L609 V661 V662 D663	I604-R606 PolarHBondContact O-N 3.06Å; R606-I608 VanDerWaalsContact C-N 3.28Å; R606-I608 PolarHBondContact O-N 2.93Å; R606-L609 WeakPolarHBondContact O-CB 3.03Å; R606-L609 PolarHBondContact O-N 3.29Å; R606-V661 HydrophobicContact CB-CG1 3.93Å; R606-V662 PolarHBondContact N-O 2.89Å; R606-D663 WeakPolarHBondContact CD-OD1 3.48Å; R606-D663 IonicContact CZ-OD1 3.65Å; R606-D663 IonicContact NE-OD1 2.69Å; R606-D663 IonicContact NH1-OD1 3.87Å; R606-D663 PolarHBondContact NH1-OD1 3.44Å
607	E	95.8	Very high	95.9	Very high	114 Å²	114	43.4 Å²	43.4	53%	0.533	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-28.5	-177.1	-66.8	-177.7	-177.8	0	0	112.1	H605 L609 R610 T611	H605-E607 IonicContact CE1-OE1 3.78Å; H605-E607 PolarHBondContact ND1-N 3.35Å; H605-E607 PolarHBondContact O-N 2.98Å; E607-L609 VanDerWaalsContact C-N 3.26Å; E607-L609 PolarHBondContact O-N 3.39Å; E607-R610 PolarHBondContact O-N 3.06Å; E607-T611 WeakPolarHBondContact O-CG2 3.41Å
608	I	95.4	Very high	95.8	Very high	3 Å²	3	44.4 Å²	44.4	2%	0.015	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-66.3	-31	-179.4	-58.9	175.6	0	0	0	111.1	V572 D573 I604 H605 R606 R610 T611 M613 F614	V572-I608 HydrophobicContact CB-CD1 3.99Å; V572-I608 HydrophobicContact CG1-CD1 3.49Å; V572-I608 VanDerWaalsContact CG1-CD1 3.49Å; V572-I608 VanDerWaalsContact O-CD1 3.28Å; V572-I608 WeakPolarHBondContact O-CD1 3.41Å; D573-I608 WeakPolarHBondContact O-CD1 3.36Å; I604-I608 HydrophobicContact CG2-CB 3.65Å; I604-I608 HydrophobicContact CG2-CD1 3.96Å; I604-I608 HydrophobicContact CG2-CG1 4.35Å; I604-I608 HydrophobicContact CG2-CG2 3.84Å; H605-I608 HydrophobicContact CB-CD1 3.94Å; H605-I608 HydrophobicContact CB-CG1 4.16Å; H605-I608 WeakPolarHBondContact O-CB 3.25Å; H605-I608 PolarHBondContact O-N 2.78Å; R606-I608 VanDerWaalsContact C-N 3.28Å; R606-I608 PolarHBondContact O-N 2.93Å; I608-R610 PolarHBondContact O-N 3.21Å; I608-T611 WeakPolarHBondContact O-CB 3.28Å; I608-T611 PolarHBondContact O-N 3.45Å; I608-T611 PolarHBondContact O-OG1 2.92Å; I608-M613 HydrophobicContact CD1-SD 4.37Å; I608-M613 HydrophobicContact CG2-CB 4.2Å; I608-M613 HydrophobicContact CG2-CG 4.24Å; I608-M613 HydrophobicContact CG2-SD 3.9Å; I608-F614 HydrophobicContact CG2-CB 4.28Å; I608-F614 WeakPolarHBondContact O-CB 3.08Å
609	L	92.3	Very high	95.8	Very high	32 Å²	32	49.6 Å²	49.6	17%	0.168	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-54.4	-26.5	-178.6	-66.5	179.9	0	0	0	113.7	R606 E607 F614 F634 Y637 V661	R606-L609 WeakPolarHBondContact O-CB 3.03Å; R606-L609 PolarHBondContact O-N 3.29Å; E607-L609 VanDerWaalsContact C-N 3.26Å; E607-L609 PolarHBondContact O-N 3.39Å; L609-F614 HydrophobicContact CD2-CD2 3.76Å; L609-F614 HydrophobicContact CD2-CE2 3.62Å; L609-F614 HydrophobicContact CD2-CG 4.34Å; L609-F614 HydrophobicContact CD2-CZ 4.11Å; L609-F634 HydrophobicContact CD2-CD2 4.28Å; L609-F634 HydrophobicContact CD2-CE2 4.11Å; L609-Y637 HydrophobicContact CD1-CD1 4.08Å; L609-Y637 HydrophobicContact CD1-CD2 3.9Å; L609-Y637 HydrophobicContact CD1-CE1 4.42Å; L609-Y637 HydrophobicContact CD1-CE2 4.27Å; L609-Y637 HydrophobicContact CD1-CG 3.81Å; L609-V661 HydrophobicContact CD1-CG1 4.06Å; L609-V661 HydrophobicContact CD1-CG2 3.78Å; L609-V661 HydrophobicContact CD2-CG2 3.99Å; L609-V661 HydrophobicContact CG-CG2 4.25Å
610	R	89.8	Confident	95.7	Very high	232 Å²	232	50.7 Å²	50.7	88%	0.875	24%	0.238	S	C	*	.	G	3₁₀ helix	trans	-100.5	10.8	-178.8	-61.6	-177	179.4	175.4	0.3	113.2	E607 I608	E607-R610 PolarHBondContact O-N 3.06Å; I608-R610 PolarHBondContact O-N 3.21Å
611	T	93.6	Very high	95.6	Very high	52 Å²	52	50.8 Å²	50.8	32%	0.319	24%	0.238	S	C	.	.	S	Bend	trans	-112	155.6	-176.9	73.2	0	0	0	0	111.2	E607 I608 M613 F614	E607-T611 WeakPolarHBondContact O-CG2 3.41Å; I608-T611 WeakPolarHBondContact O-CB 3.28Å; I608-T611 PolarHBondContact O-N 3.45Å; I608-T611 PolarHBondContact O-OG1 2.92Å; T611-M613 PolarHBondContact O-N 2.9Å; T611-M613 WeakPolarHBondContact OG1-CB 3.06Å; T611-M613 PolarHBondContact OG1-N 3.4Å; T611-F614 PolarHBondContact O-N 2.62Å; T611-F614 VanDerWaalsContact O-N 3.11Å
612	P	93.9	Very high	95.4	Very high	97 Å²	97	58.8 Å²	58.8	63%	0.63	27%	0.269	S	S	*	.	H	α-helix	trans	-59.9	-14.3	173.4	-23.2	33.7	0	0	0	114.3	K616	P612-K616 WeakPolarHBondContact O-CG 3.48Å; P612-K616 PolarHBondContact O-N 3.1Å
613	M	94.6	Very high	95.3	Very high	25 Å²	25	64 Å²	64	12%	0.123	30%	0.296	C	S	.	.	H	α-helix	trans	-65.7	-40.6	175.5	-175.5	-169.9	-60.7	0	0	111.2	V572 A576 V578 V581 I608 T611 D615 K616 I617	V572-M613 HydrophobicContact CG1-SD 4.19Å; A576-M613 HydrophobicContact CB-CE 4.38Å; A576-M613 HydrophobicContact CB-SD 4.41Å; A576-M613 WeakPolarHBondContact O-CE 3.11Å; V578-M613 HydrophobicContact CB-CE 4.09Å; V578-M613 HydrophobicContact CB-CG 4.2Å; V578-M613 HydrophobicContact CG2-CB 4.3Å; V578-M613 HydrophobicContact CG2-CG 3.96Å; V581-M613 HydrophobicContact CG2-SD 4.15Å; I608-M613 HydrophobicContact CD1-SD 4.37Å; I608-M613 HydrophobicContact CG2-CB 4.2Å; I608-M613 HydrophobicContact CG2-CG 4.24Å; I608-M613 HydrophobicContact CG2-SD 3.9Å; T611-M613 PolarHBondContact O-N 2.9Å; T611-M613 WeakPolarHBondContact OG1-CB 3.06Å; T611-M613 PolarHBondContact OG1-N 3.4Å; M613-D615 PolarHBondContact O-N 3.38Å; M613-K616 PolarHBondContact O-N 3.35Å; M613-I617 HydrophobicContact CG-CD1 4.18Å; M613-I617 WeakPolarHBondContact O-CG1 3.37Å; M613-I617 PolarHBondContact O-N 3.5Å
614	F	95.2	Very high	95.2	Very high	26 Å²	26	67.5 Å²	67.5	11%	0.114	31%	0.313	C	S	.	.	H	α-helix	trans	-61.6	-45.6	179.1	178	-104	0	0	0	111.6	I604 I608 L609 T611 K616 I617 I618 F634 L659	I604-F614 HydrophobicContact CD1-CD2 4.05Å; I604-F614 HydrophobicContact CD1-CE2 4.15Å; I608-F614 HydrophobicContact CG2-CB 4.28Å; I608-F614 WeakPolarHBondContact O-CB 3.08Å; L609-F614 HydrophobicContact CD2-CD2 3.76Å; L609-F614 HydrophobicContact CD2-CE2 3.62Å; L609-F614 HydrophobicContact CD2-CG 4.34Å; L609-F614 HydrophobicContact CD2-CZ 4.11Å; T611-F614 PolarHBondContact O-N 2.62Å; T611-F614 VanDerWaalsContact O-N 3.11Å; F614-K616 VanDerWaalsContact C-N 3.29Å; F614-K616 PolarHBondContact O-N 3.35Å; F614-I617 WeakPolarHBondContact O-CB 2.93Å; F614-I617 PolarHBondContact O-N 2.92Å; F614-I617 VanDerWaalsContact O-N 3.12Å; F614-I618 HydrophobicContact CD1-CG1 4.37Å; F614-I618 HydrophobicContact CD2-CG1 4.45Å; F614-I618 HydrophobicContact CE1-CG1 3.89Å; F614-I618 HydrophobicContact CE2-CD1 3.98Å; F614-I618 HydrophobicContact CE2-CG1 3.99Å; F614-I618 HydrophobicContact CZ-CD1 3.86Å; F614-I618 HydrophobicContact CZ-CG1 3.67Å; F614-I618 WeakPolarHBondContact O-CG1 3.35Å; F614-I618 PolarHBondContact O-N 3.05Å; F614-F634 AromaticContact CE2-CE2 3.84Å; F614-F634 HydrophobicContact CE2-CE2 3.84Å; F614-F634 HydrophobicContact CE2-CZ 4.18Å; F614-F634 AromaticContact CZ-CE2 3.56Å; F614-F634 HydrophobicContact CZ-CE2 3.56Å; F614-F634 AromaticContact CZ-CZ 3.71Å; F614-F634 HydrophobicContact CZ-CZ 3.71Å; F614-L659 HydrophobicContact CE2-CD1 4.26Å
615	D	93.9	Very high	95.1	Very high	105 Å²	105	75.1 Å²	75.1	56%	0.561	35%	0.348	S	S	*	.	H	α-helix	trans	-57.8	-42.7	177.6	-64.5	-39.4	0	0	0	111.7	M613 I618 E619	M613-D615 PolarHBondContact O-N 3.38Å; D615-I618 PolarHBondContact O-N 2.5Å; D615-E619 VanDerWaalsContact O-CB 3.31Å; D615-E619 WeakPolarHBondContact O-CB 3.48Å; D615-E619 PolarHBondContact O-N 3.29Å
616	K	95.6	Very high	95.1	Very high	91 Å²	91	74.8 Å²	74.8	40%	0.396	35%	0.348	S	S	.	.	H	α-helix	trans	-65.1	-37.5	177	-71.1	178.6	178.3	-174.4	0	113.1	V578 I582 P612 M613 F614 E619 I620	V578-K616 HydrophobicContact CG2-CD 3.77Å; I582-K616 HydrophobicContact CD1-CB 3.95Å; I582-K616 HydrophobicContact CD1-CD 3.97Å; I582-K616 HydrophobicContact CG1-CB 4.49Å; P612-K616 WeakPolarHBondContact O-CG 3.48Å; P612-K616 PolarHBondContact O-N 3.1Å; M613-K616 PolarHBondContact O-N 3.35Å; F614-K616 VanDerWaalsContact C-N 3.29Å; F614-K616 PolarHBondContact O-N 3.35Å; K616-E619 PolarHBondContact O-N 3.37Å; K616-I620 WeakPolarHBondContact O-CG2 3.5Å; K616-I620 PolarHBondContact O-N 3.43Å
617	I	95.6	Very high	95.1	Very high	1 Å²	1	74.4 Å²	74.4	1%	0.005	35%	0.349	C	S	.	.	H	α-helix	trans	-62.9	-47.2	175.4	-68.2	166.5	0	0	0	110.1	V581 L602 I604 M613 F614 I620 L621	V581-I617 HydrophobicContact CG1-CD1 3.69Å; V581-I617 HydrophobicContact CG1-CG1 3.79Å; L602-I617 HydrophobicContact CD2-CG2 3.7Å; I604-I617 HydrophobicContact CD1-CD1 4.26Å; I604-I617 HydrophobicContact CD1-CG2 4.47Å; M613-I617 HydrophobicContact CG-CD1 4.18Å; M613-I617 WeakPolarHBondContact O-CG1 3.37Å; M613-I617 PolarHBondContact O-N 3.5Å; F614-I617 WeakPolarHBondContact O-CB 2.93Å; F614-I617 PolarHBondContact O-N 2.92Å; F614-I617 VanDerWaalsContact O-N 3.12Å; I617-I620 VanDerWaalsContact O-CG2 3.25Å; I617-I620 WeakPolarHBondContact O-CG2 3.18Å; I617-I620 PolarHBondContact O-N 3.46Å; I617-L621 HydrophobicContact CG2-CD1 4.1Å; I617-L621 WeakPolarHBondContact O-CG 3.14Å; I617-L621 PolarHBondContact O-N 2.87Å; I617-L621 VanDerWaalsContact O-N 3.13Å
618	I	95.1	Very high	95.1	Very high	26 Å²	26	70 Å²	70	13%	0.133	33%	0.329	C	S	.	.	H	α-helix	trans	-67.1	-39.7	179.5	-59.9	-58.7	0	0	0	111.1	F614 D615 R622 I628 L659	F614-I618 HydrophobicContact CD1-CG1 4.37Å; F614-I618 HydrophobicContact CD2-CG1 4.45Å; F614-I618 HydrophobicContact CE1-CG1 3.89Å; F614-I618 HydrophobicContact CE2-CD1 3.98Å; F614-I618 HydrophobicContact CE2-CG1 3.99Å; F614-I618 HydrophobicContact CZ-CD1 3.86Å; F614-I618 HydrophobicContact CZ-CG1 3.67Å; F614-I618 WeakPolarHBondContact O-CG1 3.35Å; F614-I618 PolarHBondContact O-N 3.05Å; D615-I618 PolarHBondContact O-N 2.5Å; I618-R622 VanDerWaalsContact O-CB 3.29Å; I618-R622 WeakPolarHBondContact O-CB 3.43Å; I618-R622 PolarHBondContact O-N 3.18Å; I618-I628 HydrophobicContact CD1-CD1 3.68Å; I618-L659 HydrophobicContact CD1-CD1 3.66Å
619	E	95.1	Very high	95.2	Very high	109 Å²	109	70.6 Å²	70.6	51%	0.509	33%	0.332	S	S	.	.	H	α-helix	trans	-60.8	-47.4	177	-172.8	-176.9	173.9	0	0	111.6	D615 K616 R622 N623	D615-E619 VanDerWaalsContact O-CB 3.31Å; D615-E619 WeakPolarHBondContact O-CB 3.48Å; D615-E619 PolarHBondContact O-N 3.29Å; K616-E619 PolarHBondContact O-N 3.37Å; E619-R622 PolarHBondContact O-N 3.1Å; E619-N623 WeakPolarHBondContact O-CB 3.22Å; E619-N623 PolarHBondContact O-N 3.4Å; E619-N623 PolarHBondContact O-ND2 3.22Å
620	I	96.3	Very high	95.3	Very high	23 Å²	23	69.1 Å²	69.1	12%	0.118	32%	0.324	C	S	.	.	H	α-helix	trans	-66.4	-42.3	-179.7	-164.9	158.1	0	0	0	112.1	I582 R586 K616 I617 R622 N623 E624	I582-I620 HydrophobicContact CG2-CD1 3.25Å; R586-I620 HydrophobicContact CB-CD1 3.96Å; R586-I620 HydrophobicContact CB-CG1 4.38Å; R586-I620 HydrophobicContact CG-CD1 4.3Å; K616-I620 WeakPolarHBondContact O-CG2 3.5Å; K616-I620 PolarHBondContact O-N 3.43Å; I617-I620 VanDerWaalsContact O-CG2 3.25Å; I617-I620 WeakPolarHBondContact O-CG2 3.18Å; I617-I620 PolarHBondContact O-N 3.46Å; I620-R622 VanDerWaalsContact C-N 3.31Å; I620-R622 PolarHBondContact O-N 3.13Å; I620-N623 PolarHBondContact O-N 2.98Å; I620-E624 HydrophobicContact CG1-CG 4.44Å; I620-E624 WeakPolarHBondContact O-CG 3.4Å; I620-E624 PolarHBondContact O-N 3.04Å
621	L	95.8	Very high	95.6	Very high	1 Å²	1	58 Å²	58	1%	0.005	28%	0.282	C	S	.	.	H	α-helix	trans	-61.9	-40.8	176.5	-70.9	175.9	0	0	0	111.2	V585 L602 I617 E624 Q625 V626 I628	V585-L621 HydrophobicContact CG1-CD2 4.04Å; V585-L621 HydrophobicContact CG1-CG 4.49Å; L602-L621 HydrophobicContact CD2-CD1 4.26Å; I617-L621 HydrophobicContact CG2-CD1 4.1Å; I617-L621 WeakPolarHBondContact O-CG 3.14Å; I617-L621 PolarHBondContact O-N 2.87Å; I617-L621 VanDerWaalsContact O-N 3.13Å; L621-E624 CarbonylContact O-C 3.57Å; L621-E624 PolarHBondContact O-N 2.78Å; L621-Q625 PolarHBondContact O-N 3.2Å; L621-V626 HydrophobicContact CB-CB 4.17Å; L621-V626 HydrophobicContact CD2-CB 4.1Å; L621-V626 HydrophobicContact CD2-CG1 4.18Å; L621-V626 HydrophobicContact CD2-CG2 4.07Å; L621-V626 WeakPolarHBondContact O-CB 3.18Å; L621-V626 PolarHBondContact O-N 3.14Å; L621-I628 HydrophobicContact CB-CD1 4.18Å; L621-I628 HydrophobicContact CD1-CD1 3.9Å; L621-I628 HydrophobicContact CD1-CG1 4.3Å
622	R	94.8	Very high	95.6	Very high	170 Å²	170	59.8 Å²	59.8	64%	0.642	29%	0.294	S	S	*	.	H	α-helix	trans	-65.9	-42.4	176	-171.9	-173.2	-59.4	150.8	3.2	112.4	I618 E619 I620 E624 Q625	I618-R622 VanDerWaalsContact O-CB 3.29Å; I618-R622 WeakPolarHBondContact O-CB 3.43Å; I618-R622 PolarHBondContact O-N 3.18Å; E619-R622 PolarHBondContact O-N 3.1Å; I620-R622 VanDerWaalsContact C-N 3.31Å; I620-R622 PolarHBondContact O-N 3.13Å; R622-E624 VanDerWaalsContact C-N 3.27Å; R622-E624 PolarHBondContact O-N 3.04Å; R622-Q625 WeakPolarHBondContact O-CA 3.05Å; R622-Q625 PolarHBondContact O-N 3.28Å
623	N	96.3	Very high	95.7	Very high	108 Å²	108	58.4 Å²	58.4	58%	0.578	28%	0.276	S	S	*	.	H	α-helix	trans	-63.3	-35.8	178.8	-72.2	-16.1	0	0	0	111.8	E619 I620 Q625	E619-N623 WeakPolarHBondContact O-CB 3.22Å; E619-N623 PolarHBondContact O-N 3.4Å; E619-N623 PolarHBondContact O-ND2 3.22Å; I620-N623 PolarHBondContact O-N 2.98Å; N623-Q625 PolarHBondContact O-N 2.63Å
624	E	96.6	Very high	95.7	Very high	74 Å²	74	57.4 Å²	57.4	35%	0.346	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	6.4	173.3	-60.6	-68.7	171.5	0	0	113	R586 I620 L621 R622 V626	R586-E624 VanDerWaalsContact CD-OE1 3.29Å; R586-E624 WeakPolarHBondContact CD-OE1 2.98Å; R586-E624 HydrophobicContact CG-CG 4.16Å; I620-E624 HydrophobicContact CG1-CG 4.44Å; I620-E624 WeakPolarHBondContact O-CG 3.4Å; I620-E624 PolarHBondContact O-N 3.04Å; L621-E624 CarbonylContact O-C 3.57Å; L621-E624 PolarHBondContact O-N 2.78Å; R622-E624 VanDerWaalsContact C-N 3.27Å; R622-E624 PolarHBondContact O-N 3.04Å; E624-V626 HydrophobicContact CB-CG2 4.17Å; E624-V626 PolarHBondContact O-N 2.6Å
625	Q	96.8	Very high	95.6	Very high	160 Å²	160	56.8 Å²	56.8	75%	0.748	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.4	27	178.8	-52.5	177.5	7.1	0	0	114.3	L621 R622 N623 K627	L621-Q625 PolarHBondContact O-N 3.2Å; R622-Q625 WeakPolarHBondContact O-CA 3.05Å; R622-Q625 PolarHBondContact O-N 3.28Å; N623-Q625 PolarHBondContact O-N 2.63Å; Q625-K627 PolarHBondContact O-N 3.16Å
626	V	97.2	Very high	95.5	Very high	9 Å²	9	56.2 Å²	56.2	6%	0.055	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-75.1	122.3	176.2	-177.9	0	0	0	0	110.1	K589 L621 E624 L655	K589-V626 HydrophobicContact CD-CG1 4.35Å; K589-V626 HydrophobicContact CG-CG1 4.09Å; K589-V626 HydrophobicContact CG-CG2 3.99Å; L621-V626 HydrophobicContact CB-CB 4.17Å; L621-V626 HydrophobicContact CD2-CB 4.1Å; L621-V626 HydrophobicContact CD2-CG1 4.18Å; L621-V626 HydrophobicContact CD2-CG2 4.07Å; L621-V626 WeakPolarHBondContact O-CB 3.18Å; L621-V626 PolarHBondContact O-N 3.14Å; E624-V626 HydrophobicContact CB-CG2 4.17Å; E624-V626 PolarHBondContact O-N 2.6Å; V626-L655 CarbonylContact C-O 3.58Å; V626-L655 VanDerWaalsContact CA-O 3.29Å; V626-L655 WeakPolarHBondContact CA-O 3.35Å; V626-L655 HydrophobicContact CG2-CB 4.49Å; V626-L655 HydrophobicContact CG2-CD2 4.11Å
627	K	96.9	Very high	95.2	Very high	104 Å²	104	57 Å²	57	45%	0.452	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	122.8	172.4	-172.3	-178.7	174.3	-169.7	0	110.1	Q625 L655 E656 C657	Q625-K627 PolarHBondContact O-N 3.16Å; K627-L655 PolarHBondContact N-O 3.14Å; K627-E656 HydrophobicContact CB-CB 4.26Å; K627-E656 HydrophobicContact CB-CG 3.97Å; K627-E656 HydrophobicContact CD-CG 4.37Å; K627-E656 IonicContact NZ-OE1 3.3Å; K627-E656 CarbonylContact O-C 3.58Å; K627-E656 WeakPolarHBondContact O-CA 3.43Å; K627-C657 PolarHBondContact O-N 2.62Å
628	I	96.4	Very high	94.7	Very high	21 Å²	21	60 Å²	60	11%	0.108	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	128.6	-179.9	-58.4	174.6	0	0	0	109.2	I618 L621 P642 L659	I618-I628 HydrophobicContact CD1-CD1 3.68Å; L621-I628 HydrophobicContact CB-CD1 4.18Å; L621-I628 HydrophobicContact CD1-CD1 3.9Å; L621-I628 HydrophobicContact CD1-CG1 4.3Å; I628-P642 WeakPolarHBondContact O-CB 3.47Å; I628-L659 HydrophobicContact CG2-CB 3.7Å; I628-L659 HydrophobicContact CG2-CD1 4.3Å
629	H	97.3	Very high	94	Very high	17 Å²	17	65 Å²	65	8%	0.079	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	128.6	169.2	-60.7	-84.5	0	0	0	110.1	S643 A645 Y652 E656 C657 C658 L659	H629-S643 CarbonylContact C-O 3.46Å; H629-S643 WeakPolarHBondContact CA-O 3.22Å; H629-S643 PolarHBondContact ND1-OG 2.81Å; H629-A645 HydrophobicContact CB-CB 3.98Å; H629-Y652 AromaticContact CD2-CE1 3.27Å; H629-Y652 WeakPolarHBondContact CD2-CE1 3.31Å; H629-Y652 AromaticContact CD2-CZ 3.49Å; H629-Y652 VanDerWaalsContact CD2-CZ 3.49Å; H629-Y652 PolarHBondContact CD2-OH 2.83Å; H629-Y652 AromaticContact NE2-CD1 3.94Å; H629-Y652 AromaticContact NE2-CE1 3.38Å; H629-Y652 WeakPolarHBondContact NE2-CE1 3.32Å; H629-E656 IonicContact CD2-OE2 3.91Å; H629-E656 IonicContact CE1-OE2 3.39Å; H629-E656 PolarHBondContact CE1-OE2 2.87Å; H629-E656 IonicContact NE2-OE2 3.95Å; H629-E656 PolarHBondContact NE2-OE2 3.1Å; H629-C657 PolarHBondContact N-O 3.38Å; H629-C658 CarbonylContact O-C 3.54Å; H629-C658 WeakPolarHBondContact O-CA 3.41Å; H629-L659 PolarHBondContact O-N 3.35Å
630	S	95.7	Very high	93.3	Very high	0 Å²	0	68.9 Å²	68.9	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	126.5	-176.9	57.5	0	0	0	0	111.3	P642 S643 E644 A645	S630-P642 PolarHBondContact OG-O 3.44Å; S630-S643 PolarHBondContact N-O 2.98Å; S630-E644 WeakPolarHBondContact O-CA 3.35Å; S630-E644 WeakPolarHBondContact OG-CA 3.43Å; S630-A645 PolarHBondContact O-N 3Å
631	G	95.4	Very high	92.5	Very high	0 Å²	0	70.2 Å²	70.2	0%	0	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-69.5	155.4	165.5	0	0	0	0	0	111	R633 F634 A635 L659 E660	G631-R633 VanDerWaalsContact C-N 3.3Å; G631-R633 PolarHBondContact O-N 2.94Å; G631-F634 PolarHBondContact O-N 3.25Å; G631-F634 VanDerWaalsContact O-N 3.17Å; G631-A635 WeakPolarHBondContact O-CB 3.23Å; G631-A635 PolarHBondContact O-N 3.04Å; G631-L659 PolarHBondContact N-O 2.92Å; G631-E660 VanDerWaalsContact C-OE2 3.25Å; G631-E660 VanDerWaalsContact CA-OE2 3.27Å; G631-E660 WeakPolarHBondContact CA-OE2 3.38Å
632	P	94.3	Very high	92	Very high	89 Å²	89	72.6 Å²	72.6	58%	0.578	37%	0.366	S	S	*	.	H	α-helix	trans	-52	-40.7	-178.1	-30.1	34.2	0	0	0	115.2	S636 E660	P632-S636 PolarHBondContact O-N 3.43Å; P632-E660 WeakPolarHBondContact CD-OE2 3.39Å; P632-E660 VanDerWaalsContact N-OE2 3.09Å
633	R	94.8	Very high	91.7	Very high	67 Å²	67	67.4 Å²	67.4	25%	0.253	36%	0.356	S	S	.	.	H	α-helix	trans	-72.9	-44.7	178.7	-65.1	-174.7	58.2	161.8	-3.9	110.5	G631 A635 S636 Y637 E660 V661 D663 E667	G631-R633 VanDerWaalsContact C-N 3.3Å; G631-R633 PolarHBondContact O-N 2.94Å; R633-A635 VanDerWaalsContact C-N 3.32Å; R633-A635 PolarHBondContact O-N 3.14Å; R633-S636 WeakPolarHBondContact O-CB 3.48Å; R633-S636 PolarHBondContact O-N 3.45Å; R633-S636 VanDerWaalsContact O-N 3.1Å; R633-S636 PolarHBondContact O-OG 3.25Å; R633-Y637 WeakPolarHBondContact O-CD2 3.46Å; R633-E660 WeakPolarHBondContact CA-OE1 3.29Å; R633-E660 VanDerWaalsContact CB-OE1 3.22Å; R633-E660 WeakPolarHBondContact CB-OE1 3.47Å; R633-E660 PolarHBondContact N-OE1 2.88Å; R633-E660 VanDerWaalsContact N-OE1 3.08Å; R633-E660 PolarHBondContact N-OE2 3.08Å; R633-V661 HydrophobicContact CB-CB 4.39Å; R633-V661 WeakPolarHBondContact CD-O 3.46Å; R633-V661 PolarHBondContact NE-O 2.87Å; R633-D663 IonicContact CZ-OD2 2.83Å; R633-D663 VanDerWaalsContact CZ-OD2 3.3Å; R633-D663 IonicContact NH1-OD2 3.99Å; R633-D663 PolarHBondContact NH1-OD2 2.91Å; R633-D663 IonicContact NH2-OD1 2.98Å; R633-D663 PolarHBondContact NH2-OD1 3.24Å; R633-D663 IonicContact NH2-OD2 2.82Å; R633-D663 PolarHBondContact NH2-OD2 3.01Å; R633-E667 IonicContact CZ-OE1 3.67Å; R633-E667 IonicContact CZ-OE2 3.82Å; R633-E667 IonicContact NH1-OE1 2.83Å; R633-E667 PolarHBondContact NH1-OE1 2.99Å; R633-E667 IonicContact NH1-OE2 3.86Å; R633-E667 PolarHBondContact NH1-OE2 3.12Å
634	F	94.9	Very high	91.4	Very high	5 Å²	5	68.8 Å²	68.8	2%	0.022	36%	0.359	C	S	.	.	H	α-helix	trans	-57.5	-43.6	176.8	-179.2	-125.6	0	0	0	112.6	L609 F614 G631 S636 Y637 L638 L659 E660 V661	L609-F634 HydrophobicContact CD2-CD2 4.28Å; L609-F634 HydrophobicContact CD2-CE2 4.11Å; F614-F634 AromaticContact CE2-CE2 3.84Å; F614-F634 HydrophobicContact CE2-CE2 3.84Å; F614-F634 HydrophobicContact CE2-CZ 4.18Å; F614-F634 AromaticContact CZ-CE2 3.56Å; F614-F634 HydrophobicContact CZ-CE2 3.56Å; F614-F634 AromaticContact CZ-CZ 3.71Å; F614-F634 HydrophobicContact CZ-CZ 3.71Å; G631-F634 PolarHBondContact O-N 3.25Å; G631-F634 VanDerWaalsContact O-N 3.17Å; F634-S636 PolarHBondContact O-N 3.48Å; F634-Y637 PolarHBondContact O-N 2.99Å; F634-Y637 VanDerWaalsContact O-N 3.11Å; F634-L638 HydrophobicContact CD1-CD1 4.31Å; F634-L638 HydrophobicContact CE1-CD1 3.73Å; F634-L638 HydrophobicContact CE2-CD1 4.05Å; F634-L638 HydrophobicContact CE2-CG 4.38Å; F634-L638 HydrophobicContact CZ-CD1 3.59Å; F634-L638 HydrophobicContact CZ-CG 4.39Å; F634-L659 HydrophobicContact CB-CD2 4.25Å; F634-L659 WeakPolarHBondContact CB-O 3.46Å; F634-L659 HydrophobicContact CD1-CB 4.28Å; F634-L659 HydrophobicContact CD1-CD2 3.81Å; F634-L659 HydrophobicContact CD1-CG 4.5Å; F634-L659 HydrophobicContact CD2-CD2 3.63Å; F634-L659 HydrophobicContact CE1-CB 4.34Å; F634-L659 HydrophobicContact CE1-CD1 4.24Å; F634-L659 HydrophobicContact CE1-CD2 3.99Å; F634-L659 HydrophobicContact CE1-CG 4.42Å; F634-L659 HydrophobicContact CE2-CD2 3.82Å; F634-L659 HydrophobicContact CG-CD2 3.63Å; F634-L659 HydrophobicContact CZ-CD1 4.12Å; F634-L659 HydrophobicContact CZ-CD2 3.98Å; F634-E660 PolarHBondContact N-OE1 2.87Å; F634-V661 HydrophobicContact CB-CG2 3.87Å; F634-V661 HydrophobicContact CD2-CG2 3.7Å; F634-V661 HydrophobicContact CG-CG2 4.23Å
635	A	92.7	Very high	91.1	Very high	13 Å²	13	66.1 Å²	66.1	11%	0.107	35%	0.35	C	S	.	.	H	α-helix	trans	-57.7	-37.8	176.3	0	0	0	0	0	112.1	G631 R633 Y637 L638	G631-A635 WeakPolarHBondContact O-CB 3.23Å; G631-A635 PolarHBondContact O-N 3.04Å; R633-A635 VanDerWaalsContact C-N 3.32Å; R633-A635 PolarHBondContact O-N 3.14Å; A635-Y637 PolarHBondContact O-N 2.98Å; A635-L638 PolarHBondContact O-N 3.23Å; A635-L638 VanDerWaalsContact O-N 3.12Å
636	S	92.9	Very high	90.8	Very high	93 Å²	93	64 Å²	64	65%	0.65	35%	0.353	S	S	*	.	H	α-helix	trans	-65.8	-19.4	179	78.9	0	0	0	0	114.8	P632 R633 F634	P632-S636 PolarHBondContact O-N 3.43Å; R633-S636 WeakPolarHBondContact O-CB 3.48Å; R633-S636 PolarHBondContact O-N 3.45Å; R633-S636 VanDerWaalsContact O-N 3.1Å; R633-S636 PolarHBondContact O-OG 3.25Å; F634-S636 PolarHBondContact O-N 3.48Å
637	Y	88.8	Confident	90.7	Very high	108 Å²	108	66.1 Å²	66.1	42%	0.424	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-9.1	176.3	-73	-78.5	0	0	0	113.4	L609 R633 F634 A635 V661	L609-Y637 HydrophobicContact CD1-CD1 4.08Å; L609-Y637 HydrophobicContact CD1-CD2 3.9Å; L609-Y637 HydrophobicContact CD1-CE1 4.42Å; L609-Y637 HydrophobicContact CD1-CE2 4.27Å; L609-Y637 HydrophobicContact CD1-CG 3.81Å; R633-Y637 WeakPolarHBondContact O-CD2 3.46Å; F634-Y637 PolarHBondContact O-N 2.99Å; F634-Y637 VanDerWaalsContact O-N 3.11Å; A635-Y637 PolarHBondContact O-N 2.98Å; Y637-V661 HydrophobicContact CD2-CB 4.39Å; Y637-V661 HydrophobicContact CD2-CG1 4.34Å; Y637-V661 HydrophobicContact CD2-CG2 4.23Å; Y637-V661 HydrophobicContact CE2-CB 4.15Å; Y637-V661 HydrophobicContact CE2-CG1 3.77Å; Y637-V661 HydrophobicContact CE2-CG2 4.45Å
638	L	85.6	Confident	90.6	Very high	63 Å²	63	62.2 Å²	62.2	33%	0.33	35%	0.352	S	S	.	.			trans	-113.4	135.8	-173.9	-61.7	179.1	0	0	0	111.5	F634 A635 F640	F634-L638 HydrophobicContact CD1-CD1 4.31Å; F634-L638 HydrophobicContact CE1-CD1 3.73Å; F634-L638 HydrophobicContact CE2-CD1 4.05Å; F634-L638 HydrophobicContact CE2-CG 4.38Å; F634-L638 HydrophobicContact CZ-CD1 3.59Å; F634-L638 HydrophobicContact CZ-CG 4.39Å; A635-L638 PolarHBondContact O-N 3.23Å; A635-L638 VanDerWaalsContact O-N 3.12Å; L638-F640 VanDerWaalsContact C-N 3.28Å
639	T	80.2	Confident	90.6	Very high	131 Å²	131	67.7 Å²	67.7	80%	0.804	37%	0.371	S	S	*	.	S	Bend	trans	-69.5	-30.9	169.3	-45.9	0	0	0	0	111.7
640	F	80.6	Confident	90.4	Very high	190 Å²	190	68.4 Å²	68.4	83%	0.833	38%	0.377	S	S	*	.	S	Bend	trans	-134.8	102	175	-60.1	-77.8	0	0	0	108.5	L638	L638-F640 VanDerWaalsContact C-N 3.28Å
641	S	78.8	Confident	90.3	Very high	52 Å²	52	70.8 Å²	70.8	36%	0.364	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-87.2	151.8	179.4	56.7	0	0	0	0	111.8
642	P	84.2	Confident	90.1	Very high	50 Å²	50	72.4 Å²	72.4	33%	0.325	40%	0.395	S	S	.	.	P	Polyproline II helix	trans	-57.3	168.5	159.5	-20.7	32.4	0	0	0	111.4	I628 S630 E644	I628-P642 WeakPolarHBondContact O-CB 3.47Å; S630-P642 PolarHBondContact OG-O 3.44Å; P642-E644 PolarHBondContact O-N 3.18Å
643	S	89.8	Confident	89.9	Confident	61 Å²	61	70.5 Å²	70.5	43%	0.427	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-48.6	128.8	176.5	49.1	0	0	0	0	111.3	H629 S630	H629-S643 CarbonylContact C-O 3.46Å; H629-S643 WeakPolarHBondContact CA-O 3.22Å; H629-S643 PolarHBondContact ND1-OG 2.81Å; S630-S643 PolarHBondContact N-O 2.98Å
644	E	90.3	Very high	89.7	Confident	137 Å²	137	71.7 Å²	71.7	64%	0.64	39%	0.394	S	S	*	.	B	Isolated β-bridge	trans	-63.5	143.2	178.2	-70.4	-177.1	-170.9	0	0	110.9	S630 P642 S646	S630-E644 WeakPolarHBondContact O-CA 3.35Å; S630-E644 WeakPolarHBondContact OG-CA 3.43Å; P642-E644 PolarHBondContact O-N 3.18Å; E644-S646 PolarHBondContact O-N 3.4Å
645	A	90.6	Very high	89.8	Confident	19 Å²	19	74 Å²	74	16%	0.157	41%	0.407	C	S	.	.	P	Polyproline II helix	trans	-65.9	126.1	173.1	0	0	0	0	0	109.6	H629 S630 S647	H629-A645 HydrophobicContact CB-CB 3.98Å; S630-A645 PolarHBondContact O-N 3Å; A645-S647 PolarHBondContact O-N 3.3Å
646	S	89.1	Confident	89.9	Confident	115 Å²	115	75.8 Å²	75.8	80%	0.804	41%	0.413	S	S	*	.	S	Bend	trans	-63.5	-29.5	176.2	55.8	0	0	0	0	112.7	E644	E644-S646 PolarHBondContact O-N 3.4Å
647	S	94.6	Very high	90.1	Very high	54 Å²	54	71.4 Å²	71.4	38%	0.378	38%	0.382	S	S	.	.			trans	-158.8	142	175.1	175.1	0	0	0	0	109.4	A645 R649 T650	A645-S647 PolarHBondContact O-N 3.3Å; S647-R649 PolarHBondContact O-N 2.94Å; S647-R649 PolarHBondContact OG-N 3.42Å; S647-T650 PolarHBondContact O-OG1 3.45Å
648	L	96.3	Very high	90.6	Very high	21 Å²	21	66.3 Å²	66.3	11%	0.11	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-4.1	170.5	-62.9	173.6	0	0	0	112.7	Y675	L648-Y675 HydrophobicContact CB-CD1 3.74Å; L648-Y675 HydrophobicContact CB-CD2 4.25Å; L648-Y675 HydrophobicContact CB-CE1 3.99Å; L648-Y675 HydrophobicContact CB-CE2 4.5Å; L648-Y675 HydrophobicContact CB-CG 3.87Å; L648-Y675 HydrophobicContact CD1-CD2 4.17Å; L648-Y675 HydrophobicContact CD1-CE1 4.12Å; L648-Y675 HydrophobicContact CD1-CE2 3.72Å
649	R	95.9	Very high	91.2	Very high	136 Å²	136	63.3 Å²	63.3	51%	0.513	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.7	33	175.3	-58.6	-177.2	169.6	-96.1	14.2	112.6	I567 S647 K674 Y675	I567-R649 HydrophobicContact CD1-CB 4.14Å; I567-R649 WeakPolarHBondContact CD1-O 3.34Å; S647-R649 PolarHBondContact O-N 2.94Å; S647-R649 PolarHBondContact OG-N 3.42Å; R649-K674 PolarHBondContact NH1-O 3.39Å; R649-K674 PolarHBondContact NH2-O 3.4Å; R649-Y675 HydrophobicContact CG-CD1 3.79Å
650	T	93.8	Very high	92	Very high	33 Å²	33	57.4 Å²	57.4	20%	0.202	31%	0.31	C	S	.	.			trans	-96.9	121.6	-176.5	-53.2	0	0	0	0	109.9	S647 Y652	S647-T650 PolarHBondContact O-OG1 3.45Å; T650-Y652 HydrophobicContact CG2-CD1 3.91Å; T650-Y652 HydrophobicContact CG2-CD2 4.36Å; T650-Y652 HydrophobicContact CG2-CE1 3.72Å; T650-Y652 HydrophobicContact CG2-CE2 4.2Å; T650-Y652 HydrophobicContact CG2-CG 4.23Å
651	E	93.1	Very high	92.8	Very high	49 Å²	49	48.4 Å²	48.4	23%	0.229	27%	0.27	C	S	.	.			trans	-89.2	110	163.6	-176	177.7	177.1	0	0	107.7	E565 G566 I567 E600	E565-E651 WeakPolarHBondContact CA-OE2 3.37Å; G566-E651 VanDerWaalsContact N-CD 3.34Å; G566-E651 PolarHBondContact N-OE2 3.03Å; I567-E651 HydrophobicContact CG1-CB 4.13Å; E600-E651 HydrophobicContact CG-CG 4.26Å
652	Y	91.9	Very high	93.8	Very high	35 Å²	35	45.9 Å²	45.9	14%	0.137	25%	0.253	C	S	.	.			trans	-80.4	-33.9	-176.6	-61.7	-86.8	0	0	0	111.8	E600 H629 T650 D654 E656 C658	E600-Y652 HydrophobicContact CB-CD2 4.5Å; E600-Y652 VanDerWaalsContact CD-N 3.27Å; E600-Y652 PolarHBondContact OE1-N 2.88Å; E600-Y652 WeakPolarHBondContact OE2-CB 3.29Å; E600-Y652 WeakPolarHBondContact OE2-CD2 3.46Å; E600-Y652 PolarHBondContact OE2-N 3.43Å; E600-Y652 VanDerWaalsContact OE2-N 3.12Å; H629-Y652 AromaticContact CD2-CE1 3.27Å; H629-Y652 WeakPolarHBondContact CD2-CE1 3.31Å; H629-Y652 AromaticContact CD2-CZ 3.49Å; H629-Y652 VanDerWaalsContact CD2-CZ 3.49Å; H629-Y652 PolarHBondContact CD2-OH 2.83Å; H629-Y652 AromaticContact NE2-CD1 3.94Å; H629-Y652 AromaticContact NE2-CE1 3.38Å; H629-Y652 WeakPolarHBondContact NE2-CE1 3.32Å; T650-Y652 HydrophobicContact CG2-CD1 3.91Å; T650-Y652 HydrophobicContact CG2-CD2 4.36Å; T650-Y652 HydrophobicContact CG2-CE1 3.72Å; T650-Y652 HydrophobicContact CG2-CE2 4.2Å; T650-Y652 HydrophobicContact CG2-CG 4.23Å; Y652-D654 PolarHBondContact O-N 3.34Å; Y652-E656 HydrophobicContact CD1-CB 3.76Å; Y652-E656 HydrophobicContact CE1-CB 4.46Å; Y652-E656 HydrophobicContact CG-CB 3.89Å; Y652-C658 HydrophobicContact CE2-CB 4.25Å
653	S	88.5	Confident	94.4	Very high	48 Å²	48	46.3 Å²	46.3	34%	0.336	25%	0.252	S	S	.	.			trans	53.9	22.8	-178.7	-75	0	0	0	0	114.7	P593 A594 E600	P593-S653 CarbonylContact O-C 3.6Å; P593-S653 WeakPolarHBondContact O-CA 3.28Å; A594-S653 WeakPolarHBondContact CA-O 3.48Å; E600-S653 PolarHBondContact OE1-N 3.43Å
654	D	91.9	Very high	94.6	Very high	92 Å²	92	44.2 Å²	44.2	49%	0.492	24%	0.241	S	C	.	.	S	Bend	trans	-145.6	-176.7	-179.2	-156.3	-7.4	0	0	0	109.7	K589 P593 Y652 E656	K589-D654 WeakPolarHBondContact CE-O 3.5Å; K589-D654 PolarHBondContact NZ-O 3.39Å; P593-D654 VanDerWaalsContact CB-C 3.48Å; Y652-D654 PolarHBondContact O-N 3.34Å; D654-E656 PolarHBondContact O-N 2.97Å
655	L	95.6	Very high	94.9	Very high	53 Å²	53	38.7 Å²	38.7	28%	0.277	22%	0.215	S	C	.	.	S	Bend	trans	-70.2	53.8	171.2	-66.3	173.3	0	0	0	111.4	C590 P593 V626 K627	C590-L655 HydrophobicContact CB-CD2 4.43Å; P593-L655 HydrophobicContact CB-CD2 4.34Å; P593-L655 HydrophobicContact CG-CD2 3.52Å; P593-L655 HydrophobicContact CG-CG 3.94Å; V626-L655 CarbonylContact C-O 3.58Å; V626-L655 VanDerWaalsContact CA-O 3.29Å; V626-L655 WeakPolarHBondContact CA-O 3.35Å; V626-L655 HydrophobicContact CG2-CB 4.49Å; V626-L655 HydrophobicContact CG2-CD2 4.11Å; K627-L655 PolarHBondContact N-O 3.14Å
656	E	95.9	Very high	95.2	Very high	51 Å²	51	42 Å²	42	24%	0.238	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	149.2	170.3	-42.9	-163.8	168.6	0	0	109.5	K589 K627 H629 Y652 D654	K589-E656 WeakPolarHBondContact CD-O 3.49Å; K589-E656 WeakPolarHBondContact CE-O 3.27Å; K589-E656 PolarHBondContact NZ-O 2.81Å; K627-E656 HydrophobicContact CB-CB 4.26Å; K627-E656 HydrophobicContact CB-CG 3.97Å; K627-E656 HydrophobicContact CD-CG 4.37Å; K627-E656 IonicContact NZ-OE1 3.3Å; K627-E656 CarbonylContact O-C 3.58Å; K627-E656 WeakPolarHBondContact O-CA 3.43Å; H629-E656 IonicContact CD2-OE2 3.91Å; H629-E656 IonicContact CE1-OE2 3.39Å; H629-E656 PolarHBondContact CE1-OE2 2.87Å; H629-E656 IonicContact NE2-OE2 3.95Å; H629-E656 PolarHBondContact NE2-OE2 3.1Å; Y652-E656 HydrophobicContact CD1-CB 3.76Å; Y652-E656 HydrophobicContact CE1-CB 4.46Å; Y652-E656 HydrophobicContact CG-CB 3.89Å; D654-E656 PolarHBondContact O-N 2.97Å
657	C	97.4	Very high	95.7	Very high	1 Å²	1	39 Å²	39	1%	0.007	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	157.3	172.5	63.1	0	0	0	0	111.5	K589 M599 E600 K627 H629	K589-C657 HydrophobicContact CD-CB 3.92Å; M599-C657 HydrophobicContact CE-CB 4.26Å; E600-C657 CarbonylContact O-C 3.57Å; E600-C657 WeakPolarHBondContact O-CA 3.26Å; E600-C657 WeakPolarHBondContact O-CB 3.3Å; K627-C657 PolarHBondContact O-N 2.62Å; H629-C657 PolarHBondContact N-O 3.38Å
658	C	98.1	Very high	95.8	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.007	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	138.3	167.2	-177.3	0	0	0	0	110.1	E600 T601 L602 H629 Y652	E600-C658 PolarHBondContact O-N 3.26Å; T601-C658 CarbonylContact C-O 3.55Å; T601-C658 WeakPolarHBondContact CA-O 3.44Å; T601-C658 HydrophobicContact CG2-CB 4.27Å; L602-C658 PolarHBondContact N-O 3.14Å; H629-C658 CarbonylContact O-C 3.54Å; H629-C658 WeakPolarHBondContact O-CA 3.41Å; Y652-C658 HydrophobicContact CE2-CB 4.25Å
659	L	98	Very high	95.9	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	121.7	169	-166.5	169.6	0	0	0	108.7	L602 I604 F614 I618 I628 H629 G631 F634	L602-L659 HydrophobicContact CD2-CD1 4.44Å; L602-L659 HydrophobicContact CD2-CG 4.46Å; L602-L659 WeakPolarHBondContact O-CA 3.33Å; I604-L659 HydrophobicContact CD1-CD1 3.94Å; I604-L659 HydrophobicContact CD1-CD2 3.92Å; I604-L659 HydrophobicContact CD1-CG 3.99Å; I604-L659 HydrophobicContact CG1-CD2 4.27Å; I604-L659 HydrophobicContact CG1-CG 4.48Å; F614-L659 HydrophobicContact CE2-CD1 4.26Å; I618-L659 HydrophobicContact CD1-CD1 3.66Å; I628-L659 HydrophobicContact CG2-CB 3.7Å; I628-L659 HydrophobicContact CG2-CD1 4.3Å; H629-L659 PolarHBondContact O-N 3.35Å; G631-L659 PolarHBondContact N-O 2.92Å; F634-L659 HydrophobicContact CB-CD2 4.25Å; F634-L659 WeakPolarHBondContact CB-O 3.46Å; F634-L659 HydrophobicContact CD1-CB 4.28Å; F634-L659 HydrophobicContact CD1-CD2 3.81Å; F634-L659 HydrophobicContact CD1-CG 4.5Å; F634-L659 HydrophobicContact CD2-CD2 3.63Å; F634-L659 HydrophobicContact CE1-CB 4.34Å; F634-L659 HydrophobicContact CE1-CD1 4.24Å; F634-L659 HydrophobicContact CE1-CD2 3.99Å; F634-L659 HydrophobicContact CE1-CG 4.42Å; F634-L659 HydrophobicContact CE2-CD2 3.82Å; F634-L659 HydrophobicContact CG-CD2 3.63Å; F634-L659 HydrophobicContact CZ-CD1 4.12Å; F634-L659 HydrophobicContact CZ-CD2 3.98Å
660	E	98	Very high	96.1	Very high	8 Å²	8	34.3 Å²	34.3	4%	0.037	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	149.6	179.8	-176	62.9	-72.3	0	0	111.9	L602 L603 I604 G631 P632 R633 F634	L602-E660 PolarHBondContact O-N 2.9Å; L603-E660 WeakPolarHBondContact CA-O 3.05Å; L603-E660 HydrophobicContact CD2-CB 3.87Å; L603-E660 HydrophobicContact CD2-CG 4.35Å; I604-E660 PolarHBondContact N-O 2.76Å; G631-E660 VanDerWaalsContact C-OE2 3.25Å; G631-E660 VanDerWaalsContact CA-OE2 3.27Å; G631-E660 WeakPolarHBondContact CA-OE2 3.38Å; P632-E660 WeakPolarHBondContact CD-OE2 3.39Å; P632-E660 VanDerWaalsContact N-OE2 3.09Å; R633-E660 WeakPolarHBondContact CA-OE1 3.29Å; R633-E660 VanDerWaalsContact CB-OE1 3.22Å; R633-E660 WeakPolarHBondContact CB-OE1 3.47Å; R633-E660 PolarHBondContact N-OE1 2.88Å; R633-E660 VanDerWaalsContact N-OE1 3.08Å; R633-E660 PolarHBondContact N-OE2 3.08Å; F634-E660 PolarHBondContact N-OE1 2.87Å
661	V	97.9	Very high	96.3	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	136.3	-179.1	176.8	0	0	0	0	110.6	I604 R606 L609 R633 F634 Y637	I604-V661 WeakPolarHBondContact O-CA 3.31Å; R606-V661 HydrophobicContact CB-CG1 3.93Å; L609-V661 HydrophobicContact CD1-CG1 4.06Å; L609-V661 HydrophobicContact CD1-CG2 3.78Å; L609-V661 HydrophobicContact CD2-CG2 3.99Å; L609-V661 HydrophobicContact CG-CG2 4.25Å; R633-V661 HydrophobicContact CB-CB 4.39Å; R633-V661 WeakPolarHBondContact CD-O 3.46Å; R633-V661 PolarHBondContact NE-O 2.87Å; F634-V661 HydrophobicContact CB-CG2 3.87Å; F634-V661 HydrophobicContact CD2-CG2 3.7Å; F634-V661 HydrophobicContact CG-CG2 4.23Å; Y637-V661 HydrophobicContact CD2-CB 4.39Å; Y637-V661 HydrophobicContact CD2-CG1 4.34Å; Y637-V661 HydrophobicContact CD2-CG2 4.23Å; Y637-V661 HydrophobicContact CE2-CB 4.15Å; Y637-V661 HydrophobicContact CE2-CG1 3.77Å; Y637-V661 HydrophobicContact CE2-CG2 4.45Å
662	V	98.2	Very high	96.5	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	152.2	176	-64.7	0	0	0	0	111.1	Y571 L603 I604 H605 R606 E667 A668	Y571-V662 HydrophobicContact CD2-CG2 4.02Å; Y571-V662 HydrophobicContact CE2-CG2 3.6Å; L603-V662 HydrophobicContact CB-CG2 4.46Å; L603-V662 HydrophobicContact CD2-CG1 4.34Å; I604-V662 PolarHBondContact O-N 3.27Å; H605-V662 WeakPolarHBondContact CA-O 3.26Å; R606-V662 PolarHBondContact N-O 2.89Å; V662-E667 HydrophobicContact CB-CB 4.26Å; V662-E667 HydrophobicContact CB-CG 4.24Å; V662-E667 HydrophobicContact CG1-CG 4.14Å; V662-A668 HydrophobicContact CG2-CB 4.13Å
663	D	96.8	Very high	96.8	Very high	58 Å²	58	33.2 Å²	33.2	31%	0.31	17%	0.173	S	C	.	.	S	Bend	trans	-79.9	-14.6	-178.3	-74	-52	0	0	0	114.3	H605 R606 R633 E667	H605-D663 PolarHBondContact NE2-O 3.43Å; R606-D663 WeakPolarHBondContact CD-OD1 3.48Å; R606-D663 IonicContact CZ-OD1 3.65Å; R606-D663 IonicContact NE-OD1 2.69Å; R606-D663 IonicContact NH1-OD1 3.87Å; R606-D663 PolarHBondContact NH1-OD1 3.44Å; R633-D663 IonicContact CZ-OD2 2.83Å; R633-D663 VanDerWaalsContact CZ-OD2 3.3Å; R633-D663 IonicContact NH1-OD2 3.99Å; R633-D663 PolarHBondContact NH1-OD2 2.91Å; R633-D663 IonicContact NH2-OD1 2.98Å; R633-D663 PolarHBondContact NH2-OD1 3.24Å; R633-D663 IonicContact NH2-OD2 2.82Å; R633-D663 PolarHBondContact NH2-OD2 3.01Å; D663-E667 WeakPolarHBondContact CB-OE2 3.4Å; D663-E667 PolarHBondContact N-OE2 2.92Å
664	G	95.3	Very high	97.3	Very high	18 Å²	18	36.7 Å²	36.7	19%	0.186	18%	0.182	C	C	.	.	S	Bend	trans	171.1	177.6	-171.6	0	0	0	0	0	113.2	Q666 E667 A668	G664-Q666 VanDerWaalsContact C-N 3.32Å; G664-Q666 PolarHBondContact O-N 2.57Å; G664-E667 PolarHBondContact O-N 2.86Å; G664-A668 PolarHBondContact O-N 3.29Å; G664-A668 VanDerWaalsContact O-N 3.08Å
665	L	96.3	Very high	97.6	Very high	20 Å²	20	34.7 Å²	34.7	11%	0.105	17%	0.168	C	C	.	.	H	α-helix	trans	-51.3	-47.1	178.4	171.7	63.2	0	0	0	113.2	Y571 E667 A668 V669 I683 T691 R694 F695	Y571-L665 HydrophobicContact CE1-CB 4.49Å; Y571-L665 HydrophobicContact CE1-CD1 4.16Å; Y571-L665 PolarHBondContact OH-N 3.24Å; L665-E667 VanDerWaalsContact C-N 3.33Å; L665-E667 PolarHBondContact O-N 3.3Å; L665-A668 WeakPolarHBondContact O-CB 3.18Å; L665-A668 PolarHBondContact O-N 3.18Å; L665-A668 VanDerWaalsContact O-N 3.15Å; L665-V669 HydrophobicContact CD1-CG2 4.04Å; L665-V669 HydrophobicContact CG-CG2 4.5Å; L665-V669 WeakPolarHBondContact O-CG2 3.36Å; L665-V669 PolarHBondContact O-N 3.48Å; L665-I683 HydrophobicContact CD1-CD1 4.29Å; L665-T691 HydrophobicContact CB-CG2 4.22Å; L665-T691 HydrophobicContact CD1-CG2 4.26Å; L665-T691 HydrophobicContact CD2-CG2 4.02Å; L665-T691 HydrophobicContact CG-CG2 4.39Å; L665-R694 HydrophobicContact CD2-CB 3.73Å; L665-F695 HydrophobicContact CD1-CB 3.72Å; L665-F695 HydrophobicContact CD1-CD2 3.59Å; L665-F695 HydrophobicContact CD1-CG 4.15Å
666	Q	97.3	Very high	97.6	Very high	90 Å²	90	32.7 Å²	32.7	42%	0.421	16%	0.16	S	C	.	.	H	α-helix	trans	-61.5	-42.6	-174.7	-176	59.3	43.2	0	0	111.7	G664 V669 E670	G664-Q666 VanDerWaalsContact C-N 3.32Å; G664-Q666 PolarHBondContact O-N 2.57Å; Q666-V669 PolarHBondContact O-N 2.68Å; Q666-E670 WeakPolarHBondContact CG-OE1 3.05Å; Q666-E670 PolarHBondContact NE2-OE1 3.41Å; Q666-E670 WeakPolarHBondContact O-CG 3.48Å; Q666-E670 PolarHBondContact O-N 3.22Å
667	E	98.1	Very high	97.6	Very high	52 Å²	52	31.4 Å²	31.4	24%	0.243	16%	0.156	C	C	.	.	H	α-helix	trans	-71.6	-34.5	177.1	-170.9	-177.2	-175.9	0	0	111.8	R633 V662 D663 G664 L665 V669 E670 H671	R633-E667 IonicContact CZ-OE1 3.67Å; R633-E667 IonicContact CZ-OE2 3.82Å; R633-E667 IonicContact NH1-OE1 2.83Å; R633-E667 PolarHBondContact NH1-OE1 2.99Å; R633-E667 IonicContact NH1-OE2 3.86Å; R633-E667 PolarHBondContact NH1-OE2 3.12Å; V662-E667 HydrophobicContact CB-CB 4.26Å; V662-E667 HydrophobicContact CB-CG 4.24Å; V662-E667 HydrophobicContact CG1-CG 4.14Å; D663-E667 WeakPolarHBondContact CB-OE2 3.4Å; D663-E667 PolarHBondContact N-OE2 2.92Å; G664-E667 PolarHBondContact O-N 2.86Å; L665-E667 VanDerWaalsContact C-N 3.33Å; L665-E667 PolarHBondContact O-N 3.3Å; E667-V669 VanDerWaalsContact C-N 3.34Å; E667-V669 PolarHBondContact O-N 3.29Å; E667-E670 PolarHBondContact O-N 3.39Å; E667-H671 VanDerWaalsContact O-CB 3.3Å; E667-H671 WeakPolarHBondContact O-CB 3.48Å; E667-H671 PolarHBondContact O-N 3.21Å
668	A	98.3	Very high	97.6	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-59.1	-46.4	172.4	0	0	0	0	0	111.2	Y571 L603 V662 G664 L665 H671 I672	Y571-A668 HydrophobicContact CD1-CB 3.76Å; Y571-A668 HydrophobicContact CD2-CB 3.74Å; Y571-A668 HydrophobicContact CE1-CB 3.91Å; Y571-A668 HydrophobicContact CE2-CB 3.91Å; Y571-A668 HydrophobicContact CG-CB 3.68Å; L603-A668 HydrophobicContact CD1-CB 4.3Å; V662-A668 HydrophobicContact CG2-CB 4.13Å; G664-A668 PolarHBondContact O-N 3.29Å; G664-A668 VanDerWaalsContact O-N 3.08Å; L665-A668 WeakPolarHBondContact O-CB 3.18Å; L665-A668 PolarHBondContact O-N 3.18Å; L665-A668 VanDerWaalsContact O-N 3.15Å; A668-H671 WeakPolarHBondContact O-CB 3.41Å; A668-H671 PolarHBondContact O-N 3.04Å; A668-I672 WeakPolarHBondContact O-CD1 3.37Å; A668-I672 WeakPolarHBondContact O-CG1 3.3Å; A668-I672 PolarHBondContact O-N 3.33Å
669	V	98.4	Very high	97.6	Very high	4 Å²	4	32.4 Å²	32.4	2%	0.024	16%	0.163	C	C	.	.	H	α-helix	trans	-61	-46.7	176	168.2	0	0	0	0	111.2	L665 Q666 E667 H671 I672 H673 F695 Q698 L699	L665-V669 HydrophobicContact CD1-CG2 4.04Å; L665-V669 HydrophobicContact CG-CG2 4.5Å; L665-V669 WeakPolarHBondContact O-CG2 3.36Å; L665-V669 PolarHBondContact O-N 3.48Å; Q666-V669 PolarHBondContact O-N 2.68Å; E667-V669 VanDerWaalsContact C-N 3.34Å; E667-V669 PolarHBondContact O-N 3.29Å; V669-H671 VanDerWaalsContact C-N 3.33Å; V669-H671 PolarHBondContact O-N 3.49Å; V669-I672 PolarHBondContact O-N 3.47Å; V669-H673 VanDerWaalsContact CG1-CE1 3.47Å; V669-H673 WeakPolarHBondContact CG1-CE1 3.41Å; V669-H673 PolarHBondContact O-N 3.27Å; V669-H673 PolarHBondContact O-ND1 2.97Å; V669-F695 HydrophobicContact CG2-CD2 4.17Å; V669-Q698 HydrophobicContact CG1-CB 4.09Å; V669-Q698 HydrophobicContact CG2-CB 4.32Å; V669-L699 HydrophobicContact CB-CD2 4.37Å; V669-L699 HydrophobicContact CG1-CD2 4.13Å; V669-L699 HydrophobicContact CG2-CD2 4.28Å; V669-L699 HydrophobicContact CG2-CG 4.38Å
670	E	98.4	Very high	97.6	Very high	108 Å²	108	32.4 Å²	32.4	51%	0.505	16%	0.163	S	C	.	.	H	α-helix	trans	-62.5	-39.8	177.5	-74.6	169.2	-162.6	0	0	112.4	Q666 E667 K674	Q666-E670 WeakPolarHBondContact CG-OE1 3.05Å; Q666-E670 PolarHBondContact NE2-OE1 3.41Å; Q666-E670 WeakPolarHBondContact O-CG 3.48Å; Q666-E670 PolarHBondContact O-N 3.22Å; E667-E670 PolarHBondContact O-N 3.39Å; E670-K674 WeakPolarHBondContact O-CB 3.4Å; E670-K674 PolarHBondContact O-N 2.98Å
671	H	98.6	Very high	97.6	Very high	15 Å²	15	32 Å²	32	7%	0.069	16%	0.162	C	C	.	.	H	α-helix	trans	-61.4	-50.1	174.5	-172.4	110.6	0	0	0	110.8	H569 L603 E667 A668 V669 K674 Y675	H569-H671 AromaticContact CD2-CD2 3.85Å; H569-H671 AromaticContact NE2-CD2 3.65Å; H569-H671 AromaticContact NE2-NE2 3.86Å; L603-H671 HydrophobicContact CD1-CB 4.11Å; E667-H671 VanDerWaalsContact O-CB 3.3Å; E667-H671 WeakPolarHBondContact O-CB 3.48Å; E667-H671 PolarHBondContact O-N 3.21Å; A668-H671 WeakPolarHBondContact O-CB 3.41Å; A668-H671 PolarHBondContact O-N 3.04Å; V669-H671 VanDerWaalsContact C-N 3.33Å; V669-H671 PolarHBondContact O-N 3.49Å; H671-K674 CarbonylContact O-C 3.59Å; H671-K674 PolarHBondContact O-N 3.34Å; H671-K674 VanDerWaalsContact O-N 3.14Å; H671-Y675 AromaticContact CD2-CD2 3.67Å; H671-Y675 AromaticContact CE1-CD2 3.68Å; H671-Y675 AromaticContact CG-CD2 3.79Å; H671-Y675 AromaticContact ND1-CD2 3.8Å; H671-Y675 AromaticContact NE2-CD2 3.58Å; H671-Y675 WeakPolarHBondContact O-CB 3.28Å; H671-Y675 WeakPolarHBondContact O-CD2 3.47Å; H671-Y675 PolarHBondContact O-N 3.06Å
672	I	98.5	Very high	97.7	Very high	2 Å²	2	32 Å²	32	1%	0.01	16%	0.162	C	C	.	.	H	α-helix	trans	-62.7	-46.4	-177.9	-67.5	166.1	0	0	0	110.7	H569 L603 A668 V669 K674 Y675 G676 D681 F695 L699	H569-I672 HydrophobicContact CB-CD1 4.04Å; H569-I672 HydrophobicContact CB-CG1 3.8Å; L603-I672 HydrophobicContact CD1-CD1 4.19Å; L603-I672 HydrophobicContact CD1-CG1 3.88Å; A668-I672 WeakPolarHBondContact O-CD1 3.37Å; A668-I672 WeakPolarHBondContact O-CG1 3.3Å; A668-I672 PolarHBondContact O-N 3.33Å; V669-I672 PolarHBondContact O-N 3.47Å; I672-K674 VanDerWaalsContact C-N 3.27Å; I672-K674 PolarHBondContact O-N 3.29Å; I672-Y675 PolarHBondContact O-N 3.46Å; I672-G676 WeakPolarHBondContact O-CA 3.29Å; I672-G676 PolarHBondContact O-N 3.31Å; I672-D681 HydrophobicContact CD1-CB 4.34Å; I672-D681 HydrophobicContact CG2-CB 4.07Å; I672-D681 VanDerWaalsContact CG2-CG 3.45Å; I672-F695 HydrophobicContact CD1-CE2 3.73Å; I672-F695 HydrophobicContact CD1-CZ 3.81Å; I672-L699 HydrophobicContact CB-CD2 3.81Å; I672-L699 HydrophobicContact CD1-CD1 3.88Å; I672-L699 HydrophobicContact CD1-CD2 4.23Å; I672-L699 HydrophobicContact CG2-CD1 4.21Å; I672-L699 HydrophobicContact CG2-CD2 3.59Å
673	H	98.3	Very high	97.7	Very high	77 Å²	77	32 Å²	32	36%	0.356	16%	0.162	S	C	.	.	H	α-helix	trans	-60.8	-37.3	174.7	-71	155.8	0	0	0	112.7	V669 Q698 D700	V669-H673 VanDerWaalsContact CG1-CE1 3.47Å; V669-H673 WeakPolarHBondContact CG1-CE1 3.41Å; V669-H673 PolarHBondContact O-N 3.27Å; V669-H673 PolarHBondContact O-ND1 2.97Å; H673-Q698 PolarHBondContact CE1-O 3.4Å; H673-Q698 PolarHBondContact NE2-O 3.24Å; H673-D700 IonicContact CD2-OD1 2.99Å; H673-D700 PolarHBondContact CD2-OD1 2.82Å; H673-D700 PolarHBondContact NE2-N 2.85Å; H673-D700 IonicContact NE2-OD1 3.43Å
674	K	97.9	Very high	97.8	Very high	121 Å²	121	29.3 Å²	29.3	53%	0.526	15%	0.147	S	C	.	.	H	α-helix	trans	-77	-33.5	-177.8	-174.5	174.9	178.6	-167.3	0	112.8	R649 E670 H671 I672	R649-K674 PolarHBondContact NH1-O 3.39Å; R649-K674 PolarHBondContact NH2-O 3.4Å; E670-K674 WeakPolarHBondContact O-CB 3.4Å; E670-K674 PolarHBondContact O-N 2.98Å; H671-K674 CarbonylContact O-C 3.59Å; H671-K674 PolarHBondContact O-N 3.34Å; H671-K674 VanDerWaalsContact O-N 3.14Å; I672-K674 VanDerWaalsContact C-N 3.27Å; I672-K674 PolarHBondContact O-N 3.29Å
675	Y	97.9	Very high	97.9	Very high	50 Å²	50	28.4 Å²	28.4	20%	0.196	14%	0.138	C	C	.	.	H	α-helix	trans	-121.1	-22.7	-168.5	-61.7	-66.3	0	0	0	114.6	L648 R649 H671 I672	L648-Y675 HydrophobicContact CB-CD1 3.74Å; L648-Y675 HydrophobicContact CB-CD2 4.25Å; L648-Y675 HydrophobicContact CB-CE1 3.99Å; L648-Y675 HydrophobicContact CB-CE2 4.5Å; L648-Y675 HydrophobicContact CB-CG 3.87Å; L648-Y675 HydrophobicContact CD1-CD2 4.17Å; L648-Y675 HydrophobicContact CD1-CE1 4.12Å; L648-Y675 HydrophobicContact CD1-CE2 3.72Å; R649-Y675 HydrophobicContact CG-CD1 3.79Å; H671-Y675 AromaticContact CD2-CD2 3.67Å; H671-Y675 AromaticContact CE1-CD2 3.68Å; H671-Y675 AromaticContact CG-CD2 3.79Å; H671-Y675 AromaticContact ND1-CD2 3.8Å; H671-Y675 AromaticContact NE2-CD2 3.58Å; H671-Y675 WeakPolarHBondContact O-CB 3.28Å; H671-Y675 WeakPolarHBondContact O-CD2 3.47Å; H671-Y675 PolarHBondContact O-N 3.06Å; I672-Y675 PolarHBondContact O-N 3.46Å
676	G	96.6	Very high	98	Very high	11 Å²	11	31.5 Å²	31.5	11%	0.113	15%	0.152	C	C	.	.			trans	-71.3	164.4	178.3	0	0	0	0	0	114.5	H569 I672 S678	H569-G676 VanDerWaalsContact CE1-CA 3.46Å; H569-G676 WeakPolarHBondContact CE1-CA 3.42Å; I672-G676 WeakPolarHBondContact O-CA 3.29Å; I672-G676 PolarHBondContact O-N 3.31Å; G676-S678 VanDerWaalsContact C-N 3.32Å
677	S	95.9	Very high	97.8	Very high	23 Å²	23	29.3 Å²	29.3	16%	0.161	14%	0.143	C	C	.	.			trans	-93.4	10.7	175.1	67.3	0	0	0	0	113.1	E565 I567 H679	E565-S677 WeakPolarHBondContact O-CB 3.5Å; E565-S677 PolarHBondContact O-OG 3.47Å; I567-S677 PolarHBondContact N-OG 2.93Å; I567-S677 PolarHBondContact O-N 3.48Å; S677-H679 PolarHBondContact O-N 3.15Å; S677-H679 WeakPolarHBondContact OG-CB 3.46Å
678	S	97.1	Very high	97.2	Very high	24 Å²	24	29.6 Å²	29.6	17%	0.168	15%	0.148	C	C	.	.	S	Bend	trans	53.9	34	-171.8	-60.4	0	0	0	0	113	G676 S701 A702	G676-S678 VanDerWaalsContact C-N 3.32Å; S678-S701 WeakPolarHBondContact CA-OG 3.48Å; S678-A702 WeakPolarHBondContact O-CB 3.4Å; S678-A702 PolarHBondContact O-N 3.02Å
679	H	97.1	Very high	96.1	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.188	C	C	.	.	S	Bend	trans	-88.1	-82.9	-180	-171.4	-56.2	0	0	0	111.4	H563 S677 A702 C703 I726 T728	H563-H679 AromaticContact ND1-CD2 3.97Å; S677-H679 PolarHBondContact O-N 3.15Å; S677-H679 WeakPolarHBondContact OG-CB 3.46Å; H679-A702 WeakPolarHBondContact O-CB 3.24Å; H679-A702 PolarHBondContact O-N 3.21Å; H679-C703 PolarHBondContact O-N 3.36Å; H679-I726 WeakPolarHBondContact NE2-CG2 3.25Å; H679-T728 HydrophobicContact CB-CG2 3.93Å
680	T	98.5	Very high	95.6	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	127	179.7	-56.1	0	0	0	0	109.9	C568 C703 F705 A713	C568-T680 VanDerWaalsContact CA-O 3.28Å; C568-T680 WeakPolarHBondContact CA-O 3.34Å; C568-T680 WeakPolarHBondContact CB-O 3.38Å; C568-T680 PolarHBondContact SG-O 2.95Å; C568-T680 VanDerWaalsContact SG-O 3.4Å; T680-C703 VanDerWaalsContact CA-O 3.31Å; T680-C703 WeakPolarHBondContact CA-O 3.27Å; T680-C703 HydrophobicContact CG2-CB 3.94Å; T680-F705 HydrophobicContact CG2-CD2 3.72Å; T680-F705 HydrophobicContact CG2-CE2 3.38Å; T680-F705 HydrophobicContact CG2-CZ 4.05Å; T680-A713 HydrophobicContact CG2-CB 3.88Å; T680-A713 WeakPolarHBondContact OG1-CB 3.49Å
681	D	98.6	Very high	95.3	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	144.5	177.7	-59.7	-78.1	0	0	0	110.8	H569 I672 L699 S701 C703 V704 F705	H569-D681 VanDerWaalsContact CB-OD1 3.27Å; H569-D681 WeakPolarHBondContact CB-OD1 3.5Å; H569-D681 IonicContact CG-OD1 3.66Å; H569-D681 PolarHBondContact N-OD1 3.33Å; H569-D681 IonicContact ND1-OD1 2.76Å; H569-D681 PolarHBondContact ND1-OD1 2.82Å; H569-D681 WeakPolarHBondContact O-CA 3.22Å; I672-D681 HydrophobicContact CD1-CB 4.34Å; I672-D681 HydrophobicContact CG2-CB 4.07Å; I672-D681 VanDerWaalsContact CG2-CG 3.45Å; D681-L699 HydrophobicContact CB-CD1 3.87Å; D681-S701 VanDerWaalsContact OD2-CB 3.25Å; D681-S701 WeakPolarHBondContact OD2-CB 3.34Å; D681-S701 PolarHBondContact OD2-OG 3.05Å; D681-C703 PolarHBondContact N-O 2.78Å; D681-V704 CarbonylContact O-C 3.53Å; D681-V704 WeakPolarHBondContact O-CA 3.38Å; D681-F705 PolarHBondContact O-N 3.11Å
682	V	98.8	Very high	95.2	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	139.1	-167.4	-176.8	0	0	0	0	110.5	H569 V570 Y571 I584 V684 F705 A708	H569-V682 PolarHBondContact O-N 3.49Å; V570-V682 CarbonylContact C-O 3.59Å; V570-V682 WeakPolarHBondContact CA-O 3.3Å; V570-V682 HydrophobicContact CB-CB 4.49Å; V570-V682 HydrophobicContact CG1-CB 4.4Å; V570-V682 HydrophobicContact CG1-CG1 4.46Å; V570-V682 HydrophobicContact CG2-CB 4.11Å; V570-V682 HydrophobicContact CG2-CG2 4.33Å; Y571-V682 PolarHBondContact N-O 3.08Å; I584-V682 HydrophobicContact CG2-CG1 4.28Å; V682-V684 HydrophobicContact CG1-CG2 4.44Å; V682-F705 CarbonylContact C-O 3.59Å; V682-F705 WeakPolarHBondContact CA-O 3.27Å; V682-F705 HydrophobicContact CG1-CB 4.38Å; V682-F705 HydrophobicContact CG2-CB 4.14Å; V682-F705 HydrophobicContact CG2-CD2 4.1Å; V682-A708 WeakPolarHBondContact CG1-O 3.32Å
683	I	98.7	Very high	95.1	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	139.4	163.4	-175.2	167.5	0	0	0	110.9	Y571 L665 T685 T691 F695 F705 W706 N707	Y571-I683 HydrophobicContact CD1-CB 4.41Å; Y571-I683 HydrophobicContact CD1-CD1 3.79Å; Y571-I683 HydrophobicContact CD1-CG1 3.79Å; Y571-I683 HydrophobicContact CE1-CD1 3.89Å; Y571-I683 HydrophobicContact CE1-CG1 4.29Å; Y571-I683 CarbonylContact O-C 3.57Å; Y571-I683 WeakPolarHBondContact O-CA 3.33Å; L665-I683 HydrophobicContact CD1-CD1 4.29Å; I683-T685 HydrophobicContact CD1-CG2 3.87Å; I683-T685 HydrophobicContact CG1-CG2 3.98Å; I683-T691 HydrophobicContact CD1-CG2 3.68Å; I683-F695 HydrophobicContact CB-CB 4.26Å; I683-F695 HydrophobicContact CB-CD1 3.49Å; I683-F695 VanDerWaalsContact CB-CD1 3.49Å; I683-F695 HydrophobicContact CB-CD2 4.01Å; I683-F695 HydrophobicContact CB-CE1 3.59Å; I683-F695 HydrophobicContact CB-CE2 4.11Å; I683-F695 HydrophobicContact CB-CG 3.68Å; I683-F695 HydrophobicContact CB-CZ 3.89Å; I683-F695 HydrophobicContact CD1-CB 3.78Å; I683-F695 HydrophobicContact CD1-CD2 4.04Å; I683-F695 HydrophobicContact CD1-CG 3.91Å; I683-F695 HydrophobicContact CG1-CD2 4.48Å; I683-F695 HydrophobicContact CG1-CG 4.37Å; I683-F695 HydrophobicContact CG2-CB 3.99Å; I683-F695 HydrophobicContact CG2-CD1 3.33Å; I683-F695 HydrophobicContact CG2-CE1 3.8Å; I683-F695 HydrophobicContact CG2-CG 3.75Å; I683-F705 PolarHBondContact N-O 3.27Å; I683-W706 HydrophobicContact CG2-CB 4.15Å; I683-W706 HydrophobicContact CG2-CG 4.46Å; I683-W706 WeakPolarHBondContact O-CA 3.47Å; I683-N707 PolarHBondContact O-N 2.64Å
684	V	98.6	Very high	95.1	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	111	169.1	-167.8	0	0	0	0	108.6	V570 Y571 D573 A576 K580 V581 I584 V682 N707	V570-V684 HydrophobicContact CG1-CG2 4Å; Y571-V684 PolarHBondContact O-N 3.19Å; D573-V684 WeakPolarHBondContact CB-O 3.14Å; D573-V684 PolarHBondContact N-O 3.06Å; D573-V684 VanDerWaalsContact N-O 3.07Å; A576-V684 HydrophobicContact CB-CG1 4.25Å; A576-V684 WeakPolarHBondContact CB-O 3.5Å; K580-V684 HydrophobicContact CB-CG1 4.31Å; V581-V684 HydrophobicContact CG2-CB 4.22Å; V581-V684 HydrophobicContact CG2-CG1 3.57Å; I584-V684 HydrophobicContact CB-CG2 4.38Å; I584-V684 HydrophobicContact CD1-CG1 4.1Å; I584-V684 HydrophobicContact CD1-CG2 3.87Å; I584-V684 HydrophobicContact CG2-CG2 3.98Å; V682-V684 HydrophobicContact CG1-CG2 4.44Å; V684-N707 WeakPolarHBondContact CA-OD1 3.29Å; V684-N707 WeakPolarHBondContact CG1-OD1 3.47Å
685	T	98.1	Very high	95.1	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.188	C	C	.	.			trans	-158	151.2	-179	-172.6	0	0	0	0	110.4	D573 I683 N687 T691 A692 W706 N707	D573-T685 WeakPolarHBondContact OD2-CB 3.45Å; D573-T685 PolarHBondContact OD2-OG1 2.89Å; I683-T685 HydrophobicContact CD1-CG2 3.87Å; I683-T685 HydrophobicContact CG1-CG2 3.98Å; T685-N687 PolarHBondContact OG1-N 2.82Å; T685-T691 HydrophobicContact CG2-CG2 4.48Å; T685-A692 HydrophobicContact CG2-CB 3.78Å; T685-W706 PolarHBondContact O-NE1 2.76Å; T685-N707 PolarHBondContact N-OD1 3.04Å; T685-N707 VanDerWaalsContact N-OD1 3.14Å; T685-N707 PolarHBondContact O-ND2 2.65Å; T685-N707 PolarHBondContact O-OD1 3.34Å
686	E	97.3	Very high	95.1	Very high	84 Å²	84	38.4 Å²	38.4	39%	0.393	19%	0.191	S	C	.	.	S	Bend	trans	-92.4	-10.8	165.2	-58.5	-54.7	128.3	0	0	112.7	D575 N577 K580 T688	D575-E686 WeakPolarHBondContact O-CB 3.37Å; D575-E686 WeakPolarHBondContact O-CG 3.43Å; D575-E686 PolarHBondContact O-N 3.14Å; N577-E686 HydrophobicContact CB-CG 3.95Å; N577-E686 WeakPolarHBondContact CB-OE1 3.4Å; K580-E686 VanDerWaalsContact CD-OE1 3.31Å; K580-E686 WeakPolarHBondContact CD-OE1 3.36Å; K580-E686 VanDerWaalsContact CE-OE1 3.31Å; K580-E686 WeakPolarHBondContact CE-OE1 3.43Å; K580-E686 IonicContact NZ-OE1 3.9Å; K580-E686 PolarHBondContact NZ-OE1 2.94Å; K580-E686 IonicContact NZ-OE2 3.47Å; K580-E686 PolarHBondContact NZ-OE2 3.07Å; E686-T688 PolarHBondContact O-N 2.83Å; E686-T688 PolarHBondContact O-OG1 3.29Å
687	N	94.4	Very high	95.1	Very high	44 Å²	44	45.7 Å²	45.7	24%	0.235	22%	0.222	C	C	.	.			trans	-77.8	94.7	176.6	-171.6	-25.7	0	0	0	110.4	D575 T685 E690 T691 A692	D575-N687 HydrophobicContact CB-CB 4.22Å; T685-N687 PolarHBondContact OG1-N 2.82Å; N687-E690 WeakPolarHBondContact OD1-CB 3.31Å; N687-E690 PolarHBondContact OD1-N 3.05Å; N687-T691 PolarHBondContact ND2-OG1 2.83Å; N687-T691 PolarHBondContact O-N 2.82Å; N687-T691 PolarHBondContact OD1-N 2.7Å; N687-A692 PolarHBondContact O-N 2.78Å
688	T	84.3	Confident	95.1	Very high	58 Å²	58	47.5 Å²	47.5	36%	0.356	23%	0.228	S	C	.	.	I	π-helix	trans	-75.4	-57.7	-169.3	-56.5	0	0	0	0	112.5	E686 A692 E693 W706	E686-T688 PolarHBondContact O-N 2.83Å; E686-T688 PolarHBondContact O-OG1 3.29Å; T688-A692 WeakPolarHBondContact O-CB 3.4Å; T688-E693 PolarHBondContact O-N 3.08Å; T688-W706 HydrophobicContact CG2-CH2 3.31Å; T688-W706 HydrophobicContact CG2-CZ2 4Å; T688-W706 HydrophobicContact CG2-CZ3 3.83Å; T688-W706 VanDerWaalsContact OG1-CH2 3.31Å; T688-W706 WeakPolarHBondContact OG1-CH2 3.21Å; T688-W706 VanDerWaalsContact OG1-CZ2 3.32Å; T688-W706 WeakPolarHBondContact OG1-CZ2 3.43Å
689	E	77	Confident	95.1	Very high	177 Å²	177	46.9 Å²	46.9	83%	0.827	22%	0.223	S	C	*	.	I	π-helix	trans	-76	-35.2	-169.5	-68.3	-175.6	176	0	0	113.3
690	E	85.9	Confident	95	Very high	118 Å²	118	49 Å²	49	55%	0.551	23%	0.234	S	C	*	.	I	π-helix	trans	-93.1	-49.3	-176.7	-167.1	176.9	179.2	0	0	111.8	N687 R694	N687-E690 WeakPolarHBondContact OD1-CB 3.31Å; N687-E690 PolarHBondContact OD1-N 3.05Å; E690-R694 VanDerWaalsContact O-CB 3.23Å; E690-R694 WeakPolarHBondContact O-CB 3.33Å; E690-R694 WeakPolarHBondContact O-CD 3.48Å; E690-R694 WeakPolarHBondContact O-CG 3.35Å
691	T	93.6	Very high	94.9	Very high	15 Å²	15	49.6 Å²	49.6	9%	0.092	24%	0.238	C	C	.	.	I	π-helix	trans	-92	-50.3	-170.7	-48.9	0	0	0	0	112.7	L665 I683 T685 N687 F695	L665-T691 HydrophobicContact CB-CG2 4.22Å; L665-T691 HydrophobicContact CD1-CG2 4.26Å; L665-T691 HydrophobicContact CD2-CG2 4.02Å; L665-T691 HydrophobicContact CG-CG2 4.39Å; I683-T691 HydrophobicContact CD1-CG2 3.68Å; T685-T691 HydrophobicContact CG2-CG2 4.48Å; N687-T691 PolarHBondContact ND2-OG1 2.83Å; N687-T691 PolarHBondContact O-N 2.82Å; N687-T691 PolarHBondContact OD1-N 2.7Å; T691-F695 WeakPolarHBondContact O-CB 3.36Å; T691-F695 PolarHBondContact O-N 3.4Å
692	A	95.9	Very high	94.9	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.247	C	C	.	.	I	π-helix	trans	-64.7	-52.2	-175	0	0	0	0	0	112.2	T685 N687 T688 R694 F695 L696 W706	T685-A692 HydrophobicContact CG2-CB 3.78Å; N687-A692 PolarHBondContact O-N 2.78Å; T688-A692 WeakPolarHBondContact O-CB 3.4Å; A692-R694 VanDerWaalsContact C-N 3.33Å; A692-R694 PolarHBondContact O-N 3.17Å; A692-F695 WeakPolarHBondContact O-CB 3.37Å; A692-F695 PolarHBondContact O-N 3.31Å; A692-L696 WeakPolarHBondContact O-CG 3.42Å; A692-L696 PolarHBondContact O-N 2.9Å; A692-W706 HydrophobicContact CB-CD2 3.73Å; A692-W706 HydrophobicContact CB-CE3 4.34Å; A692-W706 HydrophobicContact CB-CG 3.81Å; A692-W706 HydrophobicContact CB-CZ2 4.32Å
693	E	96.9	Very high	94.8	Very high	98 Å²	98	51 Å²	51	46%	0.458	25%	0.249	S	C	.	.	H	α-helix	trans	-62.9	-38	179.8	-71.3	-60.9	154.1	0	0	112.3	T688 F695 L696 Q697	T688-E693 PolarHBondContact O-N 3.08Å; E693-F695 PolarHBondContact O-N 2.84Å; E693-L696 PolarHBondContact O-N 2.76Å; E693-Q697 VanDerWaalsContact O-CB 3.29Å; E693-Q697 WeakPolarHBondContact O-CB 3.4Å; E693-Q697 PolarHBondContact O-N 3.35Å
694	R	96.9	Very high	94.8	Very high	103 Å²	103	52.5 Å²	52.5	39%	0.389	26%	0.258	S	S	.	.	H	α-helix	trans	-64.8	-40.2	174.7	-73.7	179.2	66.5	-173.7	0.1	112	L665 E690 A692 Q697 Q698	L665-R694 HydrophobicContact CD2-CB 3.73Å; E690-R694 VanDerWaalsContact O-CB 3.23Å; E690-R694 WeakPolarHBondContact O-CB 3.33Å; E690-R694 WeakPolarHBondContact O-CD 3.48Å; E690-R694 WeakPolarHBondContact O-CG 3.35Å; A692-R694 VanDerWaalsContact C-N 3.33Å; A692-R694 PolarHBondContact O-N 3.17Å; R694-Q697 PolarHBondContact O-N 3.12Å; R694-Q698 WeakPolarHBondContact O-CB 3.31Å; R694-Q698 WeakPolarHBondContact O-CG 3.17Å; R694-Q698 PolarHBondContact O-N 3.39Å
695	F	98.1	Very high	94.8	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-62.3	-47.6	175	-175.1	-92.9	0	0	0	111.6	Y571 L665 V669 I672 I683 T691 A692 E693 Q697 Q698 L699 V704	Y571-F695 HydrophobicContact CD1-CD2 4.16Å; Y571-F695 AromaticContact CD1-CE2 3.96Å; Y571-F695 HydrophobicContact CD1-CE2 3.96Å; Y571-F695 HydrophobicContact CG-CE2 4.49Å; L665-F695 HydrophobicContact CD1-CB 3.72Å; L665-F695 HydrophobicContact CD1-CD2 3.59Å; L665-F695 HydrophobicContact CD1-CG 4.15Å; V669-F695 HydrophobicContact CG2-CD2 4.17Å; I672-F695 HydrophobicContact CD1-CE2 3.73Å; I672-F695 HydrophobicContact CD1-CZ 3.81Å; I683-F695 HydrophobicContact CB-CB 4.26Å; I683-F695 HydrophobicContact CB-CD1 3.49Å; I683-F695 VanDerWaalsContact CB-CD1 3.49Å; I683-F695 HydrophobicContact CB-CD2 4.01Å; I683-F695 HydrophobicContact CB-CE1 3.59Å; I683-F695 HydrophobicContact CB-CE2 4.11Å; I683-F695 HydrophobicContact CB-CG 3.68Å; I683-F695 HydrophobicContact CB-CZ 3.89Å; I683-F695 HydrophobicContact CD1-CB 3.78Å; I683-F695 HydrophobicContact CD1-CD2 4.04Å; I683-F695 HydrophobicContact CD1-CG 3.91Å; I683-F695 HydrophobicContact CG1-CD2 4.48Å; I683-F695 HydrophobicContact CG1-CG 4.37Å; I683-F695 HydrophobicContact CG2-CB 3.99Å; I683-F695 HydrophobicContact CG2-CD1 3.33Å; I683-F695 HydrophobicContact CG2-CE1 3.8Å; I683-F695 HydrophobicContact CG2-CG 3.75Å; T691-F695 WeakPolarHBondContact O-CB 3.36Å; T691-F695 PolarHBondContact O-N 3.4Å; A692-F695 WeakPolarHBondContact O-CB 3.37Å; A692-F695 PolarHBondContact O-N 3.31Å; E693-F695 PolarHBondContact O-N 2.84Å; F695-Q697 VanDerWaalsContact C-N 3.3Å; F695-Q697 PolarHBondContact O-N 2.88Å; F695-Q698 PolarHBondContact O-N 3Å; F695-L699 HydrophobicContact CD1-CD1 3.85Å; F695-L699 HydrophobicContact CD2-CD1 4.05Å; F695-L699 HydrophobicContact CD2-CG 4.45Å; F695-L699 HydrophobicContact CE1-CD1 3.31Å; F695-L699 HydrophobicContact CE1-CG 4.42Å; F695-L699 HydrophobicContact CE2-CD1 3.54Å; F695-L699 HydrophobicContact CE2-CG 4.31Å; F695-L699 HydrophobicContact CG-CD1 4.22Å; F695-L699 HydrophobicContact CZ-CD1 3.16Å; F695-L699 HydrophobicContact CZ-CG 4.32Å; F695-L699 WeakPolarHBondContact O-CB 3.3Å; F695-L699 PolarHBondContact O-N 3.44Å; F695-L699 VanDerWaalsContact O-N 3.1Å; F695-V704 HydrophobicContact CD1-CG1 3.64Å; F695-V704 HydrophobicContact CE1-CG1 3.56Å
696	L	97.9	Very high	94.8	Very high	51 Å²	51	57.7 Å²	57.7	27%	0.267	28%	0.279	S	S	.	.	H	α-helix	trans	-60.3	-38.9	178	-67.8	173.3	0	0	0	112.2	A692 E693 V704 W706	A692-L696 WeakPolarHBondContact O-CG 3.42Å; A692-L696 PolarHBondContact O-N 2.9Å; E693-L696 PolarHBondContact O-N 2.76Å; L696-V704 HydrophobicContact CD2-CB 4.03Å; L696-V704 HydrophobicContact CD2-CG1 3.84Å; L696-V704 WeakPolarHBondContact CD2-O 3.27Å; L696-W706 HydrophobicContact CD1-CB 4.28Å; L696-W706 HydrophobicContact CD2-CB 4.42Å
697	Q	96.9	Very high	94.9	Very high	165 Å²	165	55.4 Å²	55.4	77%	0.771	27%	0.269	S	S	*	.	H	α-helix	trans	-77.6	-39.1	-179.6	-172.1	-175.5	14	0	0	113.2	E693 R694 F695	E693-Q697 VanDerWaalsContact O-CB 3.29Å; E693-Q697 WeakPolarHBondContact O-CB 3.4Å; E693-Q697 PolarHBondContact O-N 3.35Å; R694-Q697 PolarHBondContact O-N 3.12Å; F695-Q697 VanDerWaalsContact C-N 3.3Å; F695-Q697 PolarHBondContact O-N 2.88Å
698	Q	97	Very high	95.1	Very high	61 Å²	61	54.8 Å²	54.8	29%	0.285	27%	0.271	S	S	.	.	H	α-helix	trans	-81.2	-31.7	-173.1	-71.9	-177.5	12	0	0	113.2	V669 H673 R694 F695	V669-Q698 HydrophobicContact CG1-CB 4.09Å; V669-Q698 HydrophobicContact CG2-CB 4.32Å; H673-Q698 PolarHBondContact CE1-O 3.4Å; H673-Q698 PolarHBondContact NE2-O 3.24Å; R694-Q698 WeakPolarHBondContact O-CB 3.31Å; R694-Q698 WeakPolarHBondContact O-CG 3.17Å; R694-Q698 PolarHBondContact O-N 3.39Å; F695-Q698 PolarHBondContact O-N 3Å
699	L	96.3	Very high	95.7	Very high	11 Å²	11	52.2 Å²	52.2	6%	0.058	26%	0.255	C	S	.	.			trans	-74.6	135.5	179.3	-78.1	-173.5	0	0	0	112	V669 I672 D681 F695 V704	V669-L699 HydrophobicContact CB-CD2 4.37Å; V669-L699 HydrophobicContact CG1-CD2 4.13Å; V669-L699 HydrophobicContact CG2-CD2 4.28Å; V669-L699 HydrophobicContact CG2-CG 4.38Å; I672-L699 HydrophobicContact CB-CD2 3.81Å; I672-L699 HydrophobicContact CD1-CD1 3.88Å; I672-L699 HydrophobicContact CD1-CD2 4.23Å; I672-L699 HydrophobicContact CG2-CD1 4.21Å; I672-L699 HydrophobicContact CG2-CD2 3.59Å; D681-L699 HydrophobicContact CB-CD1 3.87Å; F695-L699 HydrophobicContact CD1-CD1 3.85Å; F695-L699 HydrophobicContact CD2-CD1 4.05Å; F695-L699 HydrophobicContact CD2-CG 4.45Å; F695-L699 HydrophobicContact CE1-CD1 3.31Å; F695-L699 HydrophobicContact CE1-CG 4.42Å; F695-L699 HydrophobicContact CE2-CD1 3.54Å; F695-L699 HydrophobicContact CE2-CG 4.31Å; F695-L699 HydrophobicContact CG-CD1 4.22Å; F695-L699 HydrophobicContact CZ-CD1 3.16Å; F695-L699 HydrophobicContact CZ-CG 4.32Å; F695-L699 WeakPolarHBondContact O-CB 3.3Å; F695-L699 PolarHBondContact O-N 3.44Å; F695-L699 VanDerWaalsContact O-N 3.1Å; L699-V704 HydrophobicContact CB-CG1 4.03Å; L699-V704 HydrophobicContact CB-CG2 3.84Å; L699-V704 HydrophobicContact CD1-CG1 3.85Å
700	D	95.2	Very high	96.7	Very high	45 Å²	45	43.8 Å²	43.8	24%	0.241	22%	0.216	C	C	.	.			trans	-103.3	19.1	-178.4	70.3	11.7	0	0	0	113.9	H673 R730 R734	H673-D700 IonicContact CD2-OD1 2.99Å; H673-D700 PolarHBondContact CD2-OD1 2.82Å; H673-D700 PolarHBondContact NE2-N 2.85Å; H673-D700 IonicContact NE2-OD1 3.43Å; D700-R730 IonicContact OD1-NH2 2.82Å; D700-R730 PolarHBondContact OD1-NH2 2.83Å; D700-R730 IonicContact OD2-CZ 2.87Å; D700-R730 IonicContact OD2-NH1 3.88Å; D700-R730 PolarHBondContact OD2-NH1 2.83Å; D700-R730 IonicContact OD2-NH2 2.88Å; D700-R730 PolarHBondContact OD2-NH2 2.84Å; D700-R734 PolarHBondContact O-NH1 2.98Å; D700-R734 PolarHBondContact O-NH2 3.47Å
701	S	97.3	Very high	97.3	Very high	11 Å²	11	39 Å²	39	8%	0.077	19%	0.192	C	C	.	.	S	Bend	trans	-67.9	160.4	176.1	-63	0	0	0	0	112.8	S678 D681 C703	S678-S701 WeakPolarHBondContact CA-OG 3.48Å; D681-S701 VanDerWaalsContact OD2-CB 3.25Å; D681-S701 WeakPolarHBondContact OD2-CB 3.34Å; D681-S701 PolarHBondContact OD2-OG 3.05Å; S701-C703 VanDerWaalsContact C-N 3.28Å; S701-C703 PolarHBondContact O-N 2.81Å
702	A	96.9	Very high	97.4	Very high	22 Å²	22	43.3 Å²	43.3	18%	0.182	21%	0.21	C	C	.	.	S	Bend	trans	-65.9	-33.8	179	0	0	0	0	0	112.2	S678 H679 R734	S678-A702 WeakPolarHBondContact O-CB 3.4Å; S678-A702 PolarHBondContact O-N 3.02Å; H679-A702 WeakPolarHBondContact O-CB 3.24Å; H679-A702 PolarHBondContact O-N 3.21Å; A702-R734 HydrophobicContact CB-CG 3.75Å
703	C	98.1	Very high	97.4	Very high	7 Å²	7	43.3 Å²	43.3	5%	0.047	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	130.1	172.1	-65.3	0	0	0	0	109.1	H679 T680 D681 S701 F705 A713	H679-C703 PolarHBondContact O-N 3.36Å; T680-C703 VanDerWaalsContact CA-O 3.31Å; T680-C703 WeakPolarHBondContact CA-O 3.27Å; T680-C703 HydrophobicContact CG2-CB 3.94Å; D681-C703 PolarHBondContact N-O 2.78Å; S701-C703 VanDerWaalsContact C-N 3.28Å; S701-C703 PolarHBondContact O-N 2.81Å; C703-F705 HydrophobicContact CB-CE1 3.78Å; C703-F705 HydrophobicContact CB-CE2 4.42Å; C703-F705 HydrophobicContact CB-CZ 3.68Å; C703-A713 HydrophobicContact CB-CB 4.09Å
704	V	98.5	Very high	97.1	Very high	32 Å²	32	40.6 Å²	40.6	19%	0.194	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	125.5	172.6	-162.7	0	0	0	0	108.2	D681 F695 L696 L699	D681-V704 CarbonylContact O-C 3.53Å; D681-V704 WeakPolarHBondContact O-CA 3.38Å; F695-V704 HydrophobicContact CD1-CG1 3.64Å; F695-V704 HydrophobicContact CE1-CG1 3.56Å; L696-V704 HydrophobicContact CD2-CB 4.03Å; L696-V704 HydrophobicContact CD2-CG1 3.84Å; L696-V704 WeakPolarHBondContact CD2-O 3.27Å; L699-V704 HydrophobicContact CB-CG1 4.03Å; L699-V704 HydrophobicContact CB-CG2 3.84Å; L699-V704 HydrophobicContact CD1-CG1 3.85Å
705	F	98.6	Very high	96.6	Very high	28 Å²	28	35.7 Å²	35.7	12%	0.123	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	148	-173.9	-56	-32	0	0	0	112.4	T680 D681 V682 I683 C703 A708 S709 F712 A713 F718	T680-F705 HydrophobicContact CG2-CD2 3.72Å; T680-F705 HydrophobicContact CG2-CE2 3.38Å; T680-F705 HydrophobicContact CG2-CZ 4.05Å; D681-F705 PolarHBondContact O-N 3.11Å; V682-F705 CarbonylContact C-O 3.59Å; V682-F705 WeakPolarHBondContact CA-O 3.27Å; V682-F705 HydrophobicContact CG1-CB 4.38Å; V682-F705 HydrophobicContact CG2-CB 4.14Å; V682-F705 HydrophobicContact CG2-CD2 4.1Å; I683-F705 PolarHBondContact N-O 3.27Å; C703-F705 HydrophobicContact CB-CE1 3.78Å; C703-F705 HydrophobicContact CB-CE2 4.42Å; C703-F705 HydrophobicContact CB-CZ 3.68Å; F705-A708 HydrophobicContact CB-CB 4.35Å; F705-S709 WeakPolarHBondContact CD2-O 3.17Å; F705-F712 HydrophobicContact CE2-CB 4.11Å; F705-F712 HydrophobicContact CZ-CB 4.41Å; F705-A713 HydrophobicContact CE2-CB 3.91Å; F705-A713 HydrophobicContact CZ-CB 3.73Å; F705-F718 HydrophobicContact CE1-CE1 4.11Å; F705-F718 AromaticContact CE1-CZ 3.75Å; F705-F718 HydrophobicContact CE1-CZ 3.75Å; F705-F718 AromaticContact CZ-CE1 3.86Å; F705-F718 HydrophobicContact CZ-CE1 3.86Å; F705-F718 AromaticContact CZ-CZ 3.66Å; F705-F718 HydrophobicContact CZ-CZ 3.66Å
706	W	98.4	Very high	95.8	Very high	81 Å²	81	41.9 Å²	41.9	31%	0.307	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	125.7	170.5	170.3	38.7	0	0	0	109.4	I683 T685 T688 A692 L696 A708	I683-W706 HydrophobicContact CG2-CB 4.15Å; I683-W706 HydrophobicContact CG2-CG 4.46Å; I683-W706 WeakPolarHBondContact O-CA 3.47Å; T685-W706 PolarHBondContact O-NE1 2.76Å; T688-W706 HydrophobicContact CG2-CH2 3.31Å; T688-W706 HydrophobicContact CG2-CZ2 4Å; T688-W706 HydrophobicContact CG2-CZ3 3.83Å; T688-W706 VanDerWaalsContact OG1-CH2 3.31Å; T688-W706 WeakPolarHBondContact OG1-CH2 3.21Å; T688-W706 VanDerWaalsContact OG1-CZ2 3.32Å; T688-W706 WeakPolarHBondContact OG1-CZ2 3.43Å; A692-W706 HydrophobicContact CB-CD2 3.73Å; A692-W706 HydrophobicContact CB-CE3 4.34Å; A692-W706 HydrophobicContact CB-CG 3.81Å; A692-W706 HydrophobicContact CB-CZ2 4.32Å; L696-W706 HydrophobicContact CD1-CB 4.28Å; L696-W706 HydrophobicContact CD2-CB 4.42Å; W706-A708 PolarHBondContact O-N 2.76Å; W706-A708 VanDerWaalsContact O-N 3.08Å
707	N	98.3	Very high	95.3	Very high	36 Å²	36	44.5 Å²	44.5	19%	0.193	21%	0.211	C	C	.	.	S	Bend	trans	53.4	30.3	177	-73.6	-19.5	0	0	0	114.4	K580 I584 I683 V684 T685	K580-N707 HydrophobicContact CD-CB 4.48Å; I584-N707 HydrophobicContact CD1-CB 4.47Å; I584-N707 WeakPolarHBondContact CD1-O 3.11Å; I683-N707 PolarHBondContact O-N 2.64Å; V684-N707 WeakPolarHBondContact CA-OD1 3.29Å; V684-N707 WeakPolarHBondContact CG1-OD1 3.47Å; T685-N707 PolarHBondContact N-OD1 3.04Å; T685-N707 VanDerWaalsContact N-OD1 3.14Å; T685-N707 PolarHBondContact O-ND2 2.65Å; T685-N707 PolarHBondContact O-OD1 3.34Å
708	A	98.4	Very high	95	Very high	32 Å²	32	41 Å²	41	26%	0.264	19%	0.193	S	C	.	.	S	Bend	trans	-138.7	144.1	177.8	0	0	0	0	0	111.2	V682 F705 W706 F712	V682-A708 WeakPolarHBondContact CG1-O 3.32Å; F705-A708 HydrophobicContact CB-CB 4.35Å; W706-A708 PolarHBondContact O-N 2.76Å; W706-A708 VanDerWaalsContact O-N 3.08Å; A708-F712 HydrophobicContact CB-CD2 4.34Å
709	S	98.5	Very high	94.3	Very high	4 Å²	4	41.2 Å²	41.2	3%	0.028	21%	0.212	C	C	.	.			trans	-58.4	144.4	179.7	174.3	0	0	0	0	112.8	D587 S588 F705 R711 F712	D587-S709 WeakPolarHBondContact OD2-CB 3.43Å; D587-S709 PolarHBondContact OD2-OG 3.4Å; S588-S709 PolarHBondContact N-OG 3.07Å; S588-S709 WeakPolarHBondContact OG-CA 3.17Å; S588-S709 PolarHBondContact OG-OG 3.45Å; F705-S709 WeakPolarHBondContact CD2-O 3.17Å; S709-R711 PolarHBondContact O-N 2.96Å; S709-R711 VanDerWaalsContact O-N 3.13Å; S709-R711 WeakPolarHBondContact OG-CB 3.28Å; S709-R711 PolarHBondContact OG-N 2.93Å; S709-F712 WeakPolarHBondContact O-CD2 3.27Å; S709-F712 PolarHBondContact O-N 3.5Å
710	S	98.1	Very high	93.5	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-60.7	-23.5	174.6	64.1	0	0	0	0	112.2	S588 N597 F712 A713	S588-S710 WeakPolarHBondContact CB-OG 3.43Å; S588-S710 PolarHBondContact OG-N 3.2Å; N597-S710 CarbonylContact O-C 3.57Å; N597-S710 WeakPolarHBondContact O-CB 3.16Å; N597-S710 PolarHBondContact O-OG 3.44Å; S710-F712 PolarHBondContact O-N 2.97Å; S710-F712 VanDerWaalsContact O-N 3.14Å; S710-A713 WeakPolarHBondContact O-CB 3.12Å; S710-A713 PolarHBondContact O-N 2.88Å; S710-A713 VanDerWaalsContact O-N 3.16Å
711	R	97.1	Very high	92.5	Very high	16 Å²	16	42.2 Å²	42.2	6%	0.06	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-64	-16.4	178.8	-63.7	-67.3	-62.6	114.6	8.4	114	D591 N597 S709 A713 R717	D591-R711 HydrophobicContact CB-CG 4.34Å; D591-R711 IonicContact OD2-CZ 2.82Å; D591-R711 VanDerWaalsContact OD2-CZ 3.28Å; D591-R711 IonicContact OD2-NE 3.75Å; D591-R711 PolarHBondContact OD2-NE 3.16Å; D591-R711 IonicContact OD2-NH2 2.7Å; D591-R711 PolarHBondContact OD2-NH2 2.8Å; N597-R711 VanDerWaalsContact CG-NH1 3.35Å; N597-R711 PolarHBondContact ND2-NH1 2.88Å; N597-R711 PolarHBondContact OD1-NH1 3.23Å; S709-R711 PolarHBondContact O-N 2.96Å; S709-R711 VanDerWaalsContact O-N 3.13Å; S709-R711 WeakPolarHBondContact OG-CB 3.28Å; S709-R711 PolarHBondContact OG-N 2.93Å; R711-A713 PolarHBondContact O-N 3.32Å; R711-R717 WeakPolarHBondContact O-CD 3.4Å; R711-R717 PolarHBondContact O-NH1 3.35Å; R711-R717 VanDerWaalsContact O-NH1 3.1Å
712	F	96.8	Very high	91.7	Very high	106 Å²	106	42.1 Å²	42.1	47%	0.465	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-69	-18.6	174.9	-79.7	-76.6	0	0	0	113.8	F705 A708 S709 S710 D714 R717 F718	F705-F712 HydrophobicContact CE2-CB 4.11Å; F705-F712 HydrophobicContact CZ-CB 4.41Å; A708-F712 HydrophobicContact CB-CD2 4.34Å; S709-F712 WeakPolarHBondContact O-CD2 3.27Å; S709-F712 PolarHBondContact O-N 3.5Å; S710-F712 PolarHBondContact O-N 2.97Å; S710-F712 VanDerWaalsContact O-N 3.14Å; F712-D714 VanDerWaalsContact C-N 3.27Å; F712-D714 PolarHBondContact O-N 3Å; F712-R717 HydrophobicContact CD1-CB 4.4Å; F712-F718 VanDerWaalsContact O-CD1 3.28Å; F712-F718 WeakPolarHBondContact O-CD1 3.43Å; F712-F718 WeakPolarHBondContact O-CE1 3.33Å
713	A	95.3	Very high	91.2	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.214	C	C	.	.			trans	-69.8	79.9	176	0	0	0	0	0	111.5	N597 T680 C703 F705 S710 R711 I726	N597-A713 HydrophobicContact CB-CB 4.27Å; N597-A713 PolarHBondContact ND2-O 3.37Å; T680-A713 HydrophobicContact CG2-CB 3.88Å; T680-A713 WeakPolarHBondContact OG1-CB 3.49Å; C703-A713 HydrophobicContact CB-CB 4.09Å; F705-A713 HydrophobicContact CE2-CB 3.91Å; F705-A713 HydrophobicContact CZ-CB 3.73Å; S710-A713 WeakPolarHBondContact O-CB 3.12Å; S710-A713 PolarHBondContact O-N 2.88Å; S710-A713 VanDerWaalsContact O-N 3.16Å; R711-A713 PolarHBondContact O-N 3.32Å; A713-I726 VanDerWaalsContact O-CD1 3.3Å; A713-I726 WeakPolarHBondContact O-CD1 3.48Å
714	D	90.5	Very high	90.7	Very high	42 Å²	42	41.7 Å²	41.7	23%	0.225	21%	0.212	C	C	.	.	S	Bend	trans	-156.6	136.9	-173.5	172.2	-77.3	0	0	0	109.1	F712 Y716 R717 F718	F712-D714 VanDerWaalsContact C-N 3.27Å; F712-D714 PolarHBondContact O-N 3Å; D714-Y716 VanDerWaalsContact C-N 3.33Å; D714-Y716 PolarHBondContact O-N 3.23Å; D714-Y716 WeakPolarHBondContact OD1-CB 3.04Å; D714-Y716 PolarHBondContact OD1-N 2.97Å; D714-R717 HydrophobicContact CB-CB 4.14Å; D714-R717 HydrophobicContact CB-CG 4.05Å; D714-R717 VanDerWaalsContact CG-NH1 3.3Å; D714-R717 PolarHBondContact O-N 3.12Å; D714-R717 VanDerWaalsContact O-N 3.16Å; D714-R717 PolarHBondContact OD1-N 3.47Å; D714-R717 VanDerWaalsContact OD1-N 3.14Å; D714-R717 IonicContact OD1-NH1 3.35Å; D714-R717 IonicContact OD2-NH1 3.98Å; D714-R717 PolarHBondContact OD2-NH1 2.7Å; D714-F718 WeakPolarHBondContact O-CB 3.36Å; D714-F718 PolarHBondContact O-N 3.47Å
715	G	85.9	Confident	90.2	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-37.6	-173.2	0	0	0	0	0	114.4	F718 G719 L720 E723	G715-F718 PolarHBondContact O-N 3.21Å; G715-G719 PolarHBondContact O-N 3.22Å; G715-L720 WeakPolarHBondContact O-CA 3.47Å; G715-L720 VanDerWaalsContact O-CB 3.25Å; G715-L720 WeakPolarHBondContact O-CB 3.26Å; G715-L720 PolarHBondContact O-N 3.44Å; G715-E723 PolarHBondContact N-OE2 2.81Å
716	Y	81.9	Confident	89.8	Confident	130 Å²	130	39.3 Å²	39.3	51%	0.51	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-44.8	176.5	176.9	-94.4	0	0	0	110.6	Q426 D714 F718 G719 G721	Q426-Y716 VanDerWaalsContact OE1-CE2 3.29Å; D714-Y716 VanDerWaalsContact C-N 3.33Å; D714-Y716 PolarHBondContact O-N 3.23Å; D714-Y716 WeakPolarHBondContact OD1-CB 3.04Å; D714-Y716 PolarHBondContact OD1-N 2.97Å; Y716-F718 PolarHBondContact O-N 3.13Å; Y716-G719 PolarHBondContact O-N 3.44Å; Y716-G721 WeakPolarHBondContact CD2-O 3.35Å
717	R	87.7	Confident	89.7	Confident	106 Å²	106	35.5 Å²	35.5	40%	0.4	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-28.9	178.3	-64.1	-173.7	-177.9	88.5	1.9	113	R711 F712 D714 G719	R711-R717 WeakPolarHBondContact O-CD 3.4Å; R711-R717 PolarHBondContact O-NH1 3.35Å; R711-R717 VanDerWaalsContact O-NH1 3.1Å; F712-R717 HydrophobicContact CD1-CB 4.4Å; D714-R717 HydrophobicContact CB-CB 4.14Å; D714-R717 HydrophobicContact CB-CG 4.05Å; D714-R717 VanDerWaalsContact CG-NH1 3.3Å; D714-R717 PolarHBondContact O-N 3.12Å; D714-R717 VanDerWaalsContact O-N 3.16Å; D714-R717 PolarHBondContact OD1-N 3.47Å; D714-R717 VanDerWaalsContact OD1-N 3.14Å; D714-R717 IonicContact OD1-NH1 3.35Å; D714-R717 IonicContact OD2-NH1 3.98Å; D714-R717 PolarHBondContact OD2-NH1 2.7Å; R717-G719 PolarHBondContact O-N 2.82Å
718	F	89.6	Confident	89.5	Confident	90 Å²	90	35.3 Å²	35.3	40%	0.395	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-1.1	174.1	-81	17.3	0	0	0	113.8	F705 F712 D714 G715 Y716 L720 P736	F705-F718 HydrophobicContact CE1-CE1 4.11Å; F705-F718 AromaticContact CE1-CZ 3.75Å; F705-F718 HydrophobicContact CE1-CZ 3.75Å; F705-F718 AromaticContact CZ-CE1 3.86Å; F705-F718 HydrophobicContact CZ-CE1 3.86Å; F705-F718 AromaticContact CZ-CZ 3.66Å; F705-F718 HydrophobicContact CZ-CZ 3.66Å; F712-F718 VanDerWaalsContact O-CD1 3.28Å; F712-F718 WeakPolarHBondContact O-CD1 3.43Å; F712-F718 WeakPolarHBondContact O-CE1 3.33Å; D714-F718 WeakPolarHBondContact O-CB 3.36Å; D714-F718 PolarHBondContact O-N 3.47Å; G715-F718 PolarHBondContact O-N 3.21Å; Y716-F718 PolarHBondContact O-N 3.13Å; F718-L720 HydrophobicContact CB-CD1 4.48Å; F718-L720 HydrophobicContact CB-CG 4.14Å; F718-P736 HydrophobicContact CD2-CB 4.35Å; F718-P736 HydrophobicContact CD2-CG 3.8Å; F718-P736 HydrophobicContact CE2-CG 3.83Å; F718-P736 HydrophobicContact CG-CG 4.43Å; F718-P736 HydrophobicContact CZ-CG 4.49Å
719	G	82.4	Confident	89.2	Confident	66 Å²	66	35.6 Å²	35.6	68%	0.68	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.7	16.6	-179.3	0	0	0	0	0	114.2	G715 Y716 R717 G721	G715-G719 PolarHBondContact O-N 3.22Å; Y716-G719 PolarHBondContact O-N 3.44Å; R717-G719 PolarHBondContact O-N 2.82Å; G719-G721 PolarHBondContact O-N 2.85Å
720	L	80.7	Confident	88.9	Confident	72 Å²	72	43 Å²	43	38%	0.377	22%	0.215	S	C	.	.	S	Bend	trans	-81.3	-4.1	175.5	-50.5	179.4	0	0	0	112.7	G715 F718 A722 P736	G715-L720 WeakPolarHBondContact O-CA 3.47Å; G715-L720 VanDerWaalsContact O-CB 3.25Å; G715-L720 WeakPolarHBondContact O-CB 3.26Å; G715-L720 PolarHBondContact O-N 3.44Å; F718-L720 HydrophobicContact CB-CD1 4.48Å; F718-L720 HydrophobicContact CB-CG 4.14Å; L720-A722 PolarHBondContact O-N 3.28Å; L720-P736 HydrophobicContact CD1-CB 4.16Å; L720-P736 WeakPolarHBondContact CD1-O 3.45Å
721	G	74.3	Confident	88.8	Confident	6 Å²	6	49.6 Å²	49.6	6%	0.062	25%	0.249	C	C	.	.	S	Bend	trans	77.6	-48.8	-176.8	0	0	0	0	0	113.6	Y716 G719	Y716-G721 WeakPolarHBondContact CD2-O 3.35Å; G719-G721 PolarHBondContact O-N 2.85Å
722	A	79.4	Confident	88.7	Confident	8 Å²	8	54 Å²	54	7%	0.066	27%	0.271	C	S	.	.			trans	-151.6	174.7	168.1	0	0	0	0	0	111.1	I427 L477 L720	I427-A722 HydrophobicContact CD1-CB 3.68Å; I427-A722 HydrophobicContact CG1-CB 4.15Å; L477-A722 HydrophobicContact CD1-CB 4.21Å; L720-A722 PolarHBondContact O-N 3.28Å
723	E	86.8	Confident	88.6	Confident	20 Å²	20	49.7 Å²	49.7	9%	0.093	25%	0.254	C	S	.	.			trans	-128.7	146.1	172.9	51.6	167.3	-120	0	0	110.9	L477 R542 G715 G725 V737	L477-E723 VanDerWaalsContact CD1-C 3.5Å; R542-E723 IonicContact CZ-OE1 3.21Å; R542-E723 IonicContact NH1-OE1 3.62Å; R542-E723 PolarHBondContact NH1-OE1 3.02Å; R542-E723 VanDerWaalsContact NH1-OE1 3.11Å; R542-E723 IonicContact NH2-OE1 2.62Å; G715-E723 PolarHBondContact N-OE2 2.81Å; E723-G725 VanDerWaalsContact C-N 3.32Å; E723-V737 CarbonylContact C-O 3.57Å; E723-V737 VanDerWaalsContact CA-O 3.26Å; E723-V737 WeakPolarHBondContact CA-O 3.38Å
724	V	87	Confident	88.6	Confident	1 Å²	1	53.8 Å²	53.8	1%	0.006	27%	0.27	C	S	.	.	S	Bend	trans	-75.8	-30.8	160.5	-65.8	0	0	0	0	110.7	V474 L477 I540 R542 L561 V737 L742	V474-V724 HydrophobicContact CG1-CB 4.49Å; V474-V724 HydrophobicContact CG1-CG1 4.24Å; L477-V724 HydrophobicContact CB-CG1 4.13Å; L477-V724 HydrophobicContact CD1-CB 4.43Å; L477-V724 HydrophobicContact CD1-CG1 3.51Å; L477-V724 HydrophobicContact CG-CG1 4.45Å; I540-V724 HydrophobicContact CD1-CB 4.11Å; I540-V724 HydrophobicContact CD1-CG1 4.36Å; I540-V724 HydrophobicContact CD1-CG2 4.09Å; I540-V724 HydrophobicContact CG2-CB 4.39Å; R542-V724 WeakPolarHBondContact CD-O 3.16Å; R542-V724 PolarHBondContact NE-O 3.39Å; L561-V724 HydrophobicContact CD2-CG2 4.33Å; V724-V737 HydrophobicContact CG2-CB 3.82Å; V724-V737 HydrophobicContact CG2-CG1 3.73Å; V724-V737 WeakPolarHBondContact CG2-O 3.22Å; V724-V737 PolarHBondContact N-O 3.03Å; V724-L742 HydrophobicContact CG1-CD1 3.75Å; V724-L742 HydrophobicContact CG1-CD2 4.08Å; V724-L742 HydrophobicContact CG1-CG 4.29Å; V724-L742 HydrophobicContact CG2-CD2 4.07Å
725	G	88.4	Confident	88.8	Confident	3 Å²	3	51.9 Å²	51.9	3%	0.031	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	164.6	-168.8	166.4	0	0	0	0	0	113.7	E723 V737	E723-G725 VanDerWaalsContact C-N 3.32Å; G725-V737 VanDerWaalsContact O-CB 3.28Å; G725-V737 WeakPolarHBondContact O-CB 3.13Å; G725-V737 WeakPolarHBondContact O-CG2 3.34Å; G725-V737 PolarHBondContact O-N 2.97Å
726	I	91.3	Very high	89.2	Confident	7 Å²	7	52.5 Å²	52.5	4%	0.036	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	133.5	-178.8	-54.9	178.8	0	0	0	109	G562 H563 H679 A713 G735 P736	G562-I726 CarbonylContact C-O 3.59Å; H563-I726 PolarHBondContact CD2-O 3.29Å; H563-I726 VanDerWaalsContact CD2-O 3.26Å; H563-I726 PolarHBondContact N-O 2.98Å; H679-I726 WeakPolarHBondContact NE2-CG2 3.25Å; A713-I726 VanDerWaalsContact O-CD1 3.3Å; A713-I726 WeakPolarHBondContact O-CD1 3.48Å; I726-G735 WeakPolarHBondContact CA-O 3.42Å; I726-P736 HydrophobicContact CG1-CG 4.41Å
727	S	94.8	Very high	89.7	Confident	1 Å²	1	46.5 Å²	46.5	1%	0.007	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	126.2	177.6	175.2	0	0	0	0	110.2	A729 A733 G735	S727-A729 WeakPolarHBondContact OG-CB 3.39Å; S727-A729 PolarHBondContact OG-N 3.43Å; S727-A733 WeakPolarHBondContact CB-O 3.34Å; S727-A733 PolarHBondContact OG-O 3.37Å; S727-G735 PolarHBondContact N-O 2.94Å; S727-G735 PolarHBondContact O-N 3.45Å
728	T	94	Very high	89.9	Confident	31 Å²	31	41.7 Å²	41.7	19%	0.19	22%	0.224	C	C	.	.			trans	-92.4	-5.1	168.9	55	0	0	0	0	112.4	H563 H679	H563-T728 HydrophobicContact CB-CG2 3.83Å; H679-T728 HydrophobicContact CB-CG2 3.93Å
729	A	92.7	Very high	90	Very high	39 Å²	39	38.2 Å²	38.2	32%	0.322	21%	0.21	S	C	.	.			trans	-62.4	150.4	177.8	0	0	0	0	0	111.5	S727 R734	S727-A729 WeakPolarHBondContact OG-CB 3.39Å; S727-A729 PolarHBondContact OG-N 3.43Å; A729-R734 WeakPolarHBondContact O-CB 3.29Å; A729-R734 VanDerWaalsContact O-CD 3.31Å; A729-R734 WeakPolarHBondContact O-CD 3.44Å; A729-R734 VanDerWaalsContact O-CG 3.22Å; A729-R734 WeakPolarHBondContact O-CG 3.33Å; A729-R734 PolarHBondContact O-NE 2.91Å
730	R	93.1	Very high	90.4	Very high	158 Å²	158	39.3 Å²	39.3	60%	0.596	20%	0.197	S	C	*	.	S	Bend	trans	-94.1	-2.6	-179.9	-59.5	-166.4	-174.2	-158.2	0.9	114	D700	D700-R730 IonicContact OD1-NH2 2.82Å; D700-R730 PolarHBondContact OD1-NH2 2.83Å; D700-R730 IonicContact OD2-CZ 2.87Å; D700-R730 IonicContact OD2-NH1 3.88Å; D700-R730 PolarHBondContact OD2-NH1 2.83Å; D700-R730 IonicContact OD2-NH2 2.88Å; D700-R730 PolarHBondContact OD2-NH2 2.84Å
731	I	94.4	Very high	91	Very high	139 Å²	139	36.3 Å²	36.3	71%	0.713	18%	0.184	S	C	*	.	S	Bend	trans	-115.1	152.3	-179.7	61.5	172.1	0	0	0	109.8	A733	I731-A733 PolarHBondContact O-N 2.82Å
732	H	95.2	Very high	92	Very high	110 Å²	110	36 Å²	36	51%	0.509	18%	0.181	S	C	.	.	S	Bend	trans	66.2	-78	178.1	-174.5	64.5	0	0	0	115.1	G741 L743	H732-G741 PolarHBondContact NE2-O 3Å; H732-L743 PolarHBondContact CE1-O 3.24Å; H732-L743 VanDerWaalsContact CE1-O 3.28Å
733	A	94.3	Very high	92.8	Very high	14 Å²	14	36 Å²	36	12%	0.116	18%	0.18	C	C	.	.			trans	-139.6	139.8	-177.8	0	0	0	0	0	110.8	L561 S727 I731 V737	L561-A733 HydrophobicContact CD1-CB 4.34Å; S727-A733 WeakPolarHBondContact CB-O 3.34Å; S727-A733 PolarHBondContact OG-O 3.37Å; I731-A733 PolarHBondContact O-N 2.82Å; A733-V737 HydrophobicContact CB-CG1 4.04Å; A733-V737 HydrophobicContact CB-CG2 4.05Å
734	R	95.6	Very high	93.3	Very high	87 Å²	87	38.1 Å²	38.1	33%	0.328	19%	0.194	S	C	.	.			trans	-139.6	140.2	-172.7	-166.9	169.9	-153.5	-151.1	-5.4	111	D700 A702 A729	D700-R734 PolarHBondContact O-NH1 2.98Å; D700-R734 PolarHBondContact O-NH2 3.47Å; A702-R734 HydrophobicContact CB-CG 3.75Å; A729-R734 WeakPolarHBondContact O-CB 3.29Å; A729-R734 VanDerWaalsContact O-CD 3.31Å; A729-R734 WeakPolarHBondContact O-CD 3.44Å; A729-R734 VanDerWaalsContact O-CG 3.22Å; A729-R734 WeakPolarHBondContact O-CG 3.33Å; A729-R734 PolarHBondContact O-NE 2.91Å
735	G	95.4	Very high	93.8	Very high	2 Å²	2	41 Å²	41	2%	0.021	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	81.1	-159.1	-170.6	0	0	0	0	0	111.7	I726 S727 V737	I726-G735 WeakPolarHBondContact CA-O 3.42Å; S727-G735 PolarHBondContact N-O 2.94Å; S727-G735 PolarHBondContact O-N 3.45Å; G735-V737 VanDerWaalsContact O-CG2 3.29Å; G735-V737 WeakPolarHBondContact O-CG2 3.4Å; G735-V737 PolarHBondContact O-N 3.48Å
736	P	93.6	Very high	94.2	Very high	13 Å²	13	46.2 Å²	46.2	8%	0.084	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.6	121.1	172.2	-25.2	35.5	0	0	0	111.7	F718 L720 I726	F718-P736 HydrophobicContact CD2-CB 4.35Å; F718-P736 HydrophobicContact CD2-CG 3.8Å; F718-P736 HydrophobicContact CE2-CG 3.83Å; F718-P736 HydrophobicContact CG-CG 4.43Å; F718-P736 HydrophobicContact CZ-CG 4.49Å; L720-P736 HydrophobicContact CD1-CB 4.16Å; L720-P736 WeakPolarHBondContact CD1-O 3.45Å; I726-P736 HydrophobicContact CG1-CG 4.41Å
737	V	94	Very high	94.5	Very high	3 Å²	3	52.3 Å²	52.3	2%	0.018	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	103.5	-174.1	-174.1	0	0	0	0	109.4	L561 E723 V724 G725 A733 G735	L561-V737 HydrophobicContact CD1-CG1 4.03Å; L561-V737 HydrophobicContact CD1-CG2 4.34Å; L561-V737 HydrophobicContact CD2-CB 4.31Å; L561-V737 HydrophobicContact CD2-CG1 4.36Å; L561-V737 HydrophobicContact CD2-CG2 4Å; E723-V737 CarbonylContact C-O 3.57Å; E723-V737 VanDerWaalsContact CA-O 3.26Å; E723-V737 WeakPolarHBondContact CA-O 3.38Å; V724-V737 HydrophobicContact CG2-CB 3.82Å; V724-V737 HydrophobicContact CG2-CG1 3.73Å; V724-V737 WeakPolarHBondContact CG2-O 3.22Å; V724-V737 PolarHBondContact N-O 3.03Å; G725-V737 VanDerWaalsContact O-CB 3.28Å; G725-V737 WeakPolarHBondContact O-CB 3.13Å; G725-V737 WeakPolarHBondContact O-CG2 3.34Å; G725-V737 PolarHBondContact O-N 2.97Å; A733-V737 HydrophobicContact CB-CG1 4.04Å; A733-V737 HydrophobicContact CB-CG2 4.05Å; G735-V737 VanDerWaalsContact O-CG2 3.29Å; G735-V737 WeakPolarHBondContact O-CG2 3.4Å; G735-V737 PolarHBondContact O-N 3.48Å
738	G	90.9	Very high	94.6	Very high	6 Å²	6	54.5 Å²	54.5	6%	0.062	27%	0.267	C	S	.	.			trans	-90.7	-152.7	172.1	0	0	0	0	0	112.8	E740 G741	G738-E740 PolarHBondContact O-N 2.83Å; G738-G741 PolarHBondContact O-N 3.08Å
739	L	90.9	Very high	94.8	Very high	16 Å²	16	57.8 Å²	57.8	8%	0.084	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-53	-48.7	-178.8	-175.6	79.7	0	0	0	114.2	A430 L477 A480 G741 L742	A430-L739 HydrophobicContact CB-CD2 4.43Å; L477-L739 HydrophobicContact CD2-CB 4.45Å; A480-L739 HydrophobicContact CB-CD1 3.21Å; L739-G741 VanDerWaalsContact C-N 3.25Å; L739-G741 PolarHBondContact O-N 3.17Å; L739-L742 WeakPolarHBondContact O-CB 3.38Å; L739-L742 PolarHBondContact O-N 3.23Å
740	E	91.1	Very high	95.1	Very high	89 Å²	89	62 Å²	62	42%	0.416	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-62	-33.5	-175	-68.7	-71.2	160.8	0	0	112.4	R437 G738 L742 L743	R437-E740 IonicContact CZ-OE1 3.27Å; R437-E740 IonicContact CZ-OE2 3.94Å; R437-E740 IonicContact NH1-OE1 3.76Å; R437-E740 PolarHBondContact NH1-OE1 3.44Å; R437-E740 IonicContact NH1-OE2 3.53Å; R437-E740 IonicContact NH2-OE1 3.84Å; R437-E740 PolarHBondContact NH2-OE1 3.04Å; R437-E740 IonicContact NH2-OE2 3.58Å; R437-E740 PolarHBondContact NH2-OE2 3.39Å; G738-E740 PolarHBondContact O-N 2.83Å; E740-L742 PolarHBondContact O-N 3.36Å; E740-L742 VanDerWaalsContact O-N 3.15Å; E740-L743 PolarHBondContact O-N 2.87Å; E740-L743 VanDerWaalsContact O-N 3.1Å
741	G	93.9	Very high	95.2	Very high	9 Å²	9	56.8 Å²	56.8	9%	0.093	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-72.9	-1	176.4	0	0	0	0	0	114.2	H732 G738 L739	H732-G741 PolarHBondContact NE2-O 3Å; G738-G741 PolarHBondContact O-N 3.08Å; L739-G741 VanDerWaalsContact C-N 3.25Å; L739-G741 PolarHBondContact O-N 3.17Å
742	L	96.1	Very high	95.3	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-104.8	10.5	171.4	-56.3	-177.5	0	0	0	112.6	I457 L460 L477 N483 I540 V724 L739 E740	I457-L742 WeakPolarHBondContact CG1-O 3.28Å; I457-L742 PolarHBondContact N-O 2.88Å; L460-L742 HydrophobicContact CD1-CD1 4.07Å; L460-L742 HydrophobicContact CD1-CD2 4.03Å; L460-L742 HydrophobicContact CD1-CG 4.49Å; L477-L742 HydrophobicContact CB-CD1 3.8Å; N483-L742 PolarHBondContact ND2-O 2.86Å; I540-L742 HydrophobicContact CD1-CD2 3.99Å; V724-L742 HydrophobicContact CG1-CD1 3.75Å; V724-L742 HydrophobicContact CG1-CD2 4.08Å; V724-L742 HydrophobicContact CG1-CG 4.29Å; V724-L742 HydrophobicContact CG2-CD2 4.07Å; L739-L742 WeakPolarHBondContact O-CB 3.38Å; L739-L742 PolarHBondContact O-N 3.23Å; E740-L742 PolarHBondContact O-N 3.36Å; E740-L742 VanDerWaalsContact O-N 3.15Å
743	L	95.8	Very high	95.3	Very high	9 Å²	9	55.3 Å²	55.3	5%	0.047	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	151.9	177.3	-59.2	174.8	0	0	0	110.2	S434 V435 V455 S481 H732 E740	S434-L743 WeakPolarHBondContact O-CD1 3.41Å; V435-L743 HydrophobicContact CG2-CD2 3.94Å; V455-L743 CarbonylContact O-C 3.59Å; V455-L743 WeakPolarHBondContact O-CA 3.48Å; S481-L743 WeakPolarHBondContact O-CD2 3.4Å; H732-L743 PolarHBondContact CE1-O 3.24Å; H732-L743 VanDerWaalsContact CE1-O 3.28Å; E740-L743 PolarHBondContact O-N 2.87Å; E740-L743 VanDerWaalsContact O-N 3.1Å
744	T	97.2	Very high	95.5	Very high	64 Å²	64	56.9 Å²	56.9	39%	0.393	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	-171	166.2	-171.3	0	0	0	0	109.3	T454 V455	T454-T744 CarbonylContact C-O 3.4Å; T454-T744 WeakPolarHBondContact CA-O 3.29Å; V455-T744 HydrophobicContact CG2-CG2 3.63Å; V455-T744 PolarHBondContact N-O 2.71Å; V455-T744 PolarHBondContact O-N 2.81Å
745	T	97.2	Very high	95.5	Very high	61 Å²	61	56.1 Å²	56.1	37%	0.374	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	153.8	179.1	65.3	0	0	0	0	112.7	V439 Q452 V453	V439-T745 HydrophobicContact CG2-CG2 4.33Å; Q452-T745 HydrophobicContact CG-CG2 4.27Å; Q452-T745 PolarHBondContact NE2-OG1 2.91Å; V453-T745 CarbonylContact O-C 3.5Å; V453-T745 VanDerWaalsContact O-CA 3.22Å; V453-T745 WeakPolarHBondContact O-CA 3.42Å
746	K	96.7	Very high	95.6	Very high	113 Å²	113	61.7 Å²	61.7	49%	0.491	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	142.8	173.3	-179.9	176.4	65.4	-175.7	0	110.2	Q452 V453 V455	Q452-K746 WeakPolarHBondContact CA-O 3.24Å; V453-K746 PolarHBondContact N-O 3.12Å; V453-K746 PolarHBondContact O-N 2.87Å; V455-K746 HydrophobicContact CG1-CB 4.11Å; V455-K746 HydrophobicContact CG2-CB 4.19Å
747	W	98	Very high	95.7	Very high	134 Å²	134	64.3 Å²	64.3	51%	0.508	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	133.3	172.8	-66.1	95.3	0	0	0	111.1	L450 E451 Q452	L450-W747 HydrophobicContact CD1-CB 4.24Å; L450-W747 HydrophobicContact CD1-CD2 4.43Å; L450-W747 HydrophobicContact CD1-CE3 3.63Å; L450-W747 HydrophobicContact CD1-CZ3 4.37Å; L450-W747 HydrophobicContact CD2-CE3 3.65Å; L450-W747 HydrophobicContact CD2-CZ3 3.59Å; L450-W747 HydrophobicContact CG-CE3 3.54Å; L450-W747 HydrophobicContact CG-CZ3 3.77Å; E451-W747 CarbonylContact O-C 3.22Å; E451-W747 WeakPolarHBondContact O-CA 3.34Å; Q452-W747 HydrophobicContact CB-CD2 4.08Å; Q452-W747 HydrophobicContact CB-CE3 3.77Å; Q452-W747 HydrophobicContact CB-CH2 4.06Å; Q452-W747 HydrophobicContact CB-CZ2 4.3Å; Q452-W747 HydrophobicContact CB-CZ3 3.79Å; Q452-W747 HydrophobicContact CG-CD2 4.22Å; Q452-W747 HydrophobicContact CG-CE3 4.42Å; Q452-W747 HydrophobicContact CG-CZ2 4.26Å
748	I	97.8	Very high	95.8	Very high	47 Å²	47	66.3 Å²	66.3	24%	0.241	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	113.8	176.7	-57.8	177.9	0	0	0	107.2	L450 E451 V453 R750	L450-I748 WeakPolarHBondContact CA-O 3.48Å; E451-I748 PolarHBondContact N-O 3.28Å; E451-I748 PolarHBondContact O-N 2.87Å; V453-I748 HydrophobicContact CG1-CD1 4.31Å; V453-I748 HydrophobicContact CG2-CD1 3.68Å; V453-I748 HydrophobicContact CG2-CG1 4.3Å; I748-R750 HydrophobicContact CG2-CG 4.3Å
749	L	97.8	Very high	96.1	Very high	101 Å²	101	67.4 Å²	67.4	53%	0.529	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	122.7	175.5	-174.1	69.3	0	0	0	108.8	V444 L448 E449 L450	V444-L749 HydrophobicContact CG2-CD1 4.34Å; L448-L749 HydrophobicContact CD1-CD1 3.75Å; L448-L749 HydrophobicContact CD1-CD2 4.06Å; L448-L749 HydrophobicContact CD1-CG 3.81Å; L448-L749 HydrophobicContact CG-CD1 3.91Å; E449-L749 WeakPolarHBondContact O-CA 3.45Å; L450-L749 HydrophobicContact CB-CD1 3.84Å; L450-L749 HydrophobicContact CD1-CB 4.05Å; L450-L749 HydrophobicContact CD1-CD1 4Å; L450-L749 HydrophobicContact CG-CD1 4.48Å
750	R	97.9	Very high	96.3	Very high	126 Å²	126	69.2 Å²	69.2	48%	0.475	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	124.7	175	-62.3	-176	-173	80.9	-6.8	108.7	L448 E449 E451 I748	L448-R750 WeakPolarHBondContact CA-O 3.07Å; E449-R750 PolarHBondContact N-O 2.89Å; E449-R750 PolarHBondContact O-N 3.34Å; E451-R750 IonicContact OE1-NH1 3.5Å; E451-R750 IonicContact OE2-CZ 3.61Å; E451-R750 IonicContact OE2-NH1 3.61Å; E451-R750 PolarHBondContact OE2-NH1 3.32Å; E451-R750 IonicContact OE2-NH2 2.76Å; E451-R750 PolarHBondContact OE2-NH2 3.49Å; I748-R750 HydrophobicContact CG2-CG 4.3Å
751	G	96.4	Very high	96.3	Very high	49 Å²	49	75 Å²	75	51%	0.505	42%	0.421	S	S	.	.			trans	-144.8	169.2	179.4	0	0	0	0	0	111.9	G447	G447-G751 WeakPolarHBondContact O-CA 3.45Å
752	D	96.2	Very high	96.2	Very high	147 Å²	147	80.2 Å²	80.2	79%	0.786	46%	0.456	S	S	*	.	S	Bend	trans	-112.3	66.5	179.2	-170.6	27.5	0	0	0	111.2	H754	D752-H754 PolarHBondContact N-CE1 3.12Å; D752-H754 PolarHBondContact N-ND1 3.04Å; D752-H754 PolarHBondContact O-N 3.04Å
753	G	95.4	Very high	96	Very high	71 Å²	71	81.5 Å²	81.5	73%	0.732	47%	0.47	S	S	*	.	S	Bend	trans	76.9	16.8	179.1	0	0	0	0	0	116.1
754	H	97.1	Very high	95.9	Very high	47 Å²	47	86.3 Å²	86.3	22%	0.218	50%	0.504	C	S	.	.			trans	-61.9	134.7	179.8	-64.3	71.9	0	0	0	111.9	P446 G447 L448 D752 F759 M765	P446-H754 PolarHBondContact O-NE2 3.49Å; P446-H754 VanDerWaalsContact O-NE2 3.12Å; G447-H754 PolarHBondContact O-CE1 3.35Å; G447-H754 VanDerWaalsContact O-CE1 3.24Å; L448-H754 HydrophobicContact CD1-CB 4.2Å; L448-H754 HydrophobicContact CD2-CB 4.41Å; D752-H754 PolarHBondContact N-CE1 3.12Å; D752-H754 PolarHBondContact N-ND1 3.04Å; D752-H754 PolarHBondContact O-N 3.04Å; H754-F759 HydrophobicContact CB-CE2 4.47Å; H754-M765 VanDerWaalsContact CD2-SD 3.6Å; H754-M765 WeakPolarHBondContact NE2-CE 3.16Å
755	T	96.3	Very high	95.8	Very high	71 Å²	71	85.7 Å²	85.7	44%	0.436	50%	0.497	S	S	.	.			trans	-118.1	155.8	172.5	75.4	0	0	0	0	111.1	A757 D758 F759	T755-A757 PolarHBondContact O-N 3Å; T755-D758 WeakPolarHBondContact CB-OD2 3.31Å; T755-D758 PolarHBondContact N-OD2 3.32Å; T755-D758 WeakPolarHBondContact O-CB 3.47Å; T755-D758 PolarHBondContact O-N 2.87Å; T755-D758 PolarHBondContact OG1-OD2 3.42Å; T755-F759 VanDerWaalsContact O-CD2 3.26Å; T755-F759 WeakPolarHBondContact O-CD2 3.29Å
756	V	96.6	Very high	95.7	Very high	120 Å²	120	91.1 Å²	91.1	73%	0.727	52%	0.515	S	S	*	.	G	3₁₀ helix	trans	-64.5	-28.7	177.4	179.5	0	0	0	0	111.7	D758 F759	V756-D758 VanDerWaalsContact C-N 3.26Å; V756-D758 PolarHBondContact O-N 2.95Å; V756-F759 PolarHBondContact O-N 3.38Å; V756-F759 VanDerWaalsContact O-N 3.11Å
757	A	96.6	Very high	95.8	Very high	67 Å²	67	91 Å²	91	55%	0.554	51%	0.512	S	S	*	.	G	3₁₀ helix	trans	-63.2	-33	178.3	0	0	0	0	0	112.6	T755 F759 S760	T755-A757 PolarHBondContact O-N 3Å; A757-F759 PolarHBondContact O-N 3.5Å; A757-F759 VanDerWaalsContact O-N 3.16Å; A757-S760 VanDerWaalsContact O-CB 3.31Å; A757-S760 WeakPolarHBondContact O-CB 3.4Å; A757-S760 PolarHBondContact O-N 2.89Å; A757-S760 VanDerWaalsContact O-N 3.07Å; A757-S760 PolarHBondContact O-OG 2.63Å
758	D	96.4	Very high	95.7	Very high	46 Å²	46	88.1 Å²	88.1	25%	0.246	51%	0.507	C	S	.	.	G	3₁₀ helix	trans	-62.4	-21.8	176.7	-57.3	-45.7	0	0	0	112.4	T755 V756 G763 S764 M765	T755-D758 WeakPolarHBondContact CB-OD2 3.31Å; T755-D758 PolarHBondContact N-OD2 3.32Å; T755-D758 WeakPolarHBondContact O-CB 3.47Å; T755-D758 PolarHBondContact O-N 2.87Å; T755-D758 PolarHBondContact OG1-OD2 3.42Å; V756-D758 VanDerWaalsContact C-N 3.26Å; V756-D758 PolarHBondContact O-N 2.95Å; D758-G763 CarbonylContact O-C 3.56Å; D758-G763 VanDerWaalsContact O-C 3.23Å; D758-G763 VanDerWaalsContact O-CA 3.22Å; D758-G763 WeakPolarHBondContact O-CA 3.48Å; D758-S764 PolarHBondContact O-N 3.22Å; D758-M765 HydrophobicContact CB-CB 4.14Å; D758-M765 HydrophobicContact CB-CG 3.92Å; D758-M765 HydrophobicContact CB-SD 4.12Å; D758-M765 WeakPolarHBondContact O-CA 3.46Å; D758-M765 WeakPolarHBondContact O-CB 3.18Å; D758-M765 PolarHBondContact O-N 3.11Å
759	F	96.3	Very high	95.6	Very high	28 Å²	28	91.2 Å²	91.2	12%	0.123	52%	0.52	C	S	.	.	G	3₁₀ helix	trans	-101.6	6.8	178.9	-61.7	-90.7	0	0	0	113.6	A445 L448 H754 T755 V756 A757 M765 Y767	A445-F759 HydrophobicContact CB-CE1 3.53Å; A445-F759 HydrophobicContact CB-CZ 3.64Å; L448-F759 HydrophobicContact CD2-CE2 4.41Å; L448-F759 HydrophobicContact CD2-CZ 4.08Å; H754-F759 HydrophobicContact CB-CE2 4.47Å; T755-F759 VanDerWaalsContact O-CD2 3.26Å; T755-F759 WeakPolarHBondContact O-CD2 3.29Å; V756-F759 PolarHBondContact O-N 3.38Å; V756-F759 VanDerWaalsContact O-N 3.11Å; A757-F759 PolarHBondContact O-N 3.5Å; A757-F759 VanDerWaalsContact O-N 3.16Å; F759-M765 HydrophobicContact CD1-CB 3.93Å; F759-M765 HydrophobicContact CD2-CB 4.49Å; F759-M765 HydrophobicContact CE1-CB 3.69Å; F759-M765 HydrophobicContact CE2-CB 4.27Å; F759-M765 HydrophobicContact CE2-SD 4.24Å; F759-M765 HydrophobicContact CG-CB 4.33Å; F759-M765 HydrophobicContact CZ-CB 3.87Å; F759-M765 HydrophobicContact CZ-CE 4.45Å; F759-M765 HydrophobicContact CZ-SD 4.02Å; F759-Y767 HydrophobicContact CB-CE1 4.34Å; F759-Y767 HydrophobicContact CB-CE2 3.75Å; F759-Y767 AromaticContact CD1-CD1 3.72Å; F759-Y767 HydrophobicContact CD1-CD1 3.72Å; F759-Y767 HydrophobicContact CD1-CD2 4.14Å; F759-Y767 AromaticContact CD1-CE1 3.54Å; F759-Y767 HydrophobicContact CD1-CE1 3.54Å; F759-Y767 AromaticContact CD1-CE2 3.98Å; F759-Y767 HydrophobicContact CD1-CE2 3.98Å; F759-Y767 HydrophobicContact CD1-CG 4.01Å; F759-Y767 AromaticContact CD1-CZ 3.68Å; F759-Y767 HydrophobicContact CD2-CE1 4.39Å; F759-Y767 AromaticContact CE1-CD1 3.86Å; F759-Y767 HydrophobicContact CE1-CD1 3.86Å; F759-Y767 AromaticContact CE1-CE1 3.87Å; F759-Y767 HydrophobicContact CE1-CE1 3.87Å; F759-Y767 HydrophobicContact CE1-CG 4.43Å; F759-Y767 HydrophobicContact CG-CD1 4.46Å; F759-Y767 AromaticContact CG-CE1 3.83Å; F759-Y767 HydrophobicContact CG-CE1 3.83Å; F759-Y767 HydrophobicContact CG-CE2 4.09Å; F759-Y767 AromaticContact CG-CZ 3.62Å; F759-Y767 HydrophobicContact CZ-CE1 4.43Å
760	S	95.6	Very high	95.6	Very high	54 Å²	54	90.4 Å²	90.4	38%	0.378	51%	0.514	S	S	.	.	S	Bend	trans	-67	169.8	173.7	66.8	0	0	0	0	111.7	A757 S762 G763	A757-S760 VanDerWaalsContact O-CB 3.31Å; A757-S760 WeakPolarHBondContact O-CB 3.4Å; A757-S760 PolarHBondContact O-N 2.89Å; A757-S760 VanDerWaalsContact O-N 3.07Å; A757-S760 PolarHBondContact O-OG 2.63Å; S760-S762 PolarHBondContact O-N 3.42Å; S760-S762 VanDerWaalsContact O-N 3.15Å; S760-G763 WeakPolarHBondContact O-CA 3.46Å; S760-G763 PolarHBondContact O-N 3.34Å; S760-G763 PolarHBondContact OG-N 3.44Å
761	E	91.3	Very high	95.5	Very high	211 Å²	211	90 Å²	90	99%	0.986	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-30.3	178.5	-166.7	175.9	-173.7	0	0	112.8
762	S	92.2	Very high	95.5	Very high	118 Å²	118	89 Å²	89	83%	0.825	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.1	5.8	173.6	56.8	0	0	0	0	114.2	S760	S760-S762 PolarHBondContact O-N 3.42Å; S760-S762 VanDerWaalsContact O-N 3.15Å
763	G	91.9	Very high	95.4	Very high	28 Å²	28	87.7 Å²	87.7	29%	0.289	50%	0.503	S	S	.	.	S	Bend	trans	-78.1	162.6	-177	0	0	0	0	0	113.6	D758 S760	D758-G763 CarbonylContact O-C 3.56Å; D758-G763 VanDerWaalsContact O-C 3.23Å; D758-G763 VanDerWaalsContact O-CA 3.22Å; D758-G763 WeakPolarHBondContact O-CA 3.48Å; S760-G763 WeakPolarHBondContact O-CA 3.46Å; S760-G763 PolarHBondContact O-N 3.34Å; S760-G763 PolarHBondContact OG-N 3.44Å
764	S	93.4	Very high	95.1	Very high	109 Å²	109	86.8 Å²	86.8	76%	0.762	48%	0.483	S	S	*	.	S	Bend	trans	-87.5	-7.3	-178.2	53.8	0	0	0	0	114.7	D758	D758-S764 PolarHBondContact O-N 3.22Å
765	M	95.4	Very high	94.2	Very high	51 Å²	51	93.7 Å²	93.7	25%	0.251	52%	0.516	S	S	.	.			trans	-118.7	157.9	-175.1	-61.3	-165.2	86.8	0	0	112.3	H754 D758 F759	H754-M765 VanDerWaalsContact CD2-SD 3.6Å; H754-M765 WeakPolarHBondContact NE2-CE 3.16Å; D758-M765 HydrophobicContact CB-CB 4.14Å; D758-M765 HydrophobicContact CB-CG 3.92Å; D758-M765 HydrophobicContact CB-SD 4.12Å; D758-M765 WeakPolarHBondContact O-CA 3.46Å; D758-M765 WeakPolarHBondContact O-CB 3.18Å; D758-M765 PolarHBondContact O-N 3.11Å; F759-M765 HydrophobicContact CD1-CB 3.93Å; F759-M765 HydrophobicContact CD2-CB 4.49Å; F759-M765 HydrophobicContact CE1-CB 3.69Å; F759-M765 HydrophobicContact CE2-CB 4.27Å; F759-M765 HydrophobicContact CE2-SD 4.24Å; F759-M765 HydrophobicContact CG-CB 4.33Å; F759-M765 HydrophobicContact CZ-CB 3.87Å; F759-M765 HydrophobicContact CZ-CE 4.45Å; F759-M765 HydrophobicContact CZ-SD 4.02Å
766	K	94.9	Very high	92.4	Very high	175 Å²	175	99.2 Å²	99.2	76%	0.761	54%	0.536	S	S	*	.			trans	-133.1	147.9	177.7	-64.9	-173.5	179.7	-177	0	110.5
767	Y	97.3	Very high	90.4	Very high	110 Å²	110	97.6 Å²	97.6	43%	0.431	52%	0.524	S	S	.	.			trans	-73.6	142.8	172.4	-63.5	-66.3	0	0	0	111.6	V444 F759 H769	V444-Y767 HydrophobicContact CG1-CD1 3.65Å; V444-Y767 HydrophobicContact CG1-CE1 3.9Å; V444-Y767 CarbonylContact O-C 3.55Å; V444-Y767 WeakPolarHBondContact O-CA 3.44Å; F759-Y767 HydrophobicContact CB-CE1 4.34Å; F759-Y767 HydrophobicContact CB-CE2 3.75Å; F759-Y767 AromaticContact CD1-CD1 3.72Å; F759-Y767 HydrophobicContact CD1-CD1 3.72Å; F759-Y767 HydrophobicContact CD1-CD2 4.14Å; F759-Y767 AromaticContact CD1-CE1 3.54Å; F759-Y767 HydrophobicContact CD1-CE1 3.54Å; F759-Y767 AromaticContact CD1-CE2 3.98Å; F759-Y767 HydrophobicContact CD1-CE2 3.98Å; F759-Y767 HydrophobicContact CD1-CG 4.01Å; F759-Y767 AromaticContact CD1-CZ 3.68Å; F759-Y767 HydrophobicContact CD2-CE1 4.39Å; F759-Y767 AromaticContact CE1-CD1 3.86Å; F759-Y767 HydrophobicContact CE1-CD1 3.86Å; F759-Y767 AromaticContact CE1-CE1 3.87Å; F759-Y767 HydrophobicContact CE1-CE1 3.87Å; F759-Y767 HydrophobicContact CE1-CG 4.43Å; F759-Y767 HydrophobicContact CG-CD1 4.46Å; F759-Y767 AromaticContact CG-CE1 3.83Å; F759-Y767 HydrophobicContact CG-CE1 3.83Å; F759-Y767 HydrophobicContact CG-CE2 4.09Å; F759-Y767 AromaticContact CG-CZ 3.62Å; F759-Y767 HydrophobicContact CZ-CE1 4.43Å; Y767-H769 VanDerWaalsContact CB-NE2 3.33Å; Y767-H769 WeakPolarHBondContact CB-NE2 3.47Å; Y767-H769 AromaticContact CD1-CE1 3.82Å; Y767-H769 AromaticContact CG-CE1 3.84Å; Y767-H769 AromaticContact CG-NE2 3.6Å
768	L	96.7	Very high	87.9	Confident	74 Å²	74	102 Å²	102	39%	0.387	54%	0.537	S	S	.	.			trans	-105.2	-44.2	173.1	-63.5	179.1	0	0	0	111.8	R443 V444 P446 E770	R443-L768 HydrophobicContact CG-CD1 4.23Å; V444-L768 PolarHBondContact O-N 3.29Å; P446-L768 HydrophobicContact CG-CD1 3.93Å; L768-E770 VanDerWaalsContact C-N 3.25Å; L768-E770 HydrophobicContact CB-CG 4.11Å; L768-E770 PolarHBondContact O-N 3.1Å
769	H	96.8	Very high	85.4	Confident	113 Å²	113	105.6 Å²	105.6	52%	0.523	56%	0.561	S	S	.	*			trans	52	38.2	-176.1	-57.2	-53.6	0	0	0	114.6	R443 V444 Y767	R443-H769 CarbonylContact O-C 3.23Å; R443-H769 WeakPolarHBondContact O-CA 3.36Å; R443-H769 PolarHBondContact O-N 3.36Å; R443-H769 VanDerWaalsContact O-N 3.11Å; V444-H769 PolarHBondContact O-N 3.41Å; Y767-H769 VanDerWaalsContact CB-NE2 3.33Å; Y767-H769 WeakPolarHBondContact CB-NE2 3.47Å; Y767-H769 AromaticContact CD1-CE1 3.82Å; Y767-H769 AromaticContact CG-CE1 3.84Å; Y767-H769 AromaticContact CG-NE2 3.6Å
770	E	97.3	Very high	82.5	Confident	84 Å²	84	107.9 Å²	107.9	39%	0.393	59%	0.593	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-81.2	122.9	179.3	-65.3	166.9	-177.3	0	0	110.2	T442 R443 L768 I772	T442-E770 CarbonylContact C-O 3.52Å; T442-E770 WeakPolarHBondContact CA-O 3.36Å; R443-E770 HydrophobicContact CB-CB 4.25Å; R443-E770 IonicContact CZ-OE2 3.53Å; R443-E770 PolarHBondContact N-O 3.24Å; R443-E770 IonicContact NH1-OE2 3.8Å; R443-E770 PolarHBondContact NH1-OE2 3.39Å; R443-E770 PolarHBondContact O-N 3.02Å; L768-E770 VanDerWaalsContact C-N 3.25Å; L768-E770 HydrophobicContact CB-CG 4.11Å; L768-E770 PolarHBondContact O-N 3.1Å; E770-I772 PolarHBondContact O-N 3.12Å
771	N	96.3	Very high	79.4	Confident	116 Å²	116	114 Å²	114	62%	0.62	62%	0.615	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-69.5	128.5	172.1	-68.7	-40.8	0	0	0	110	T442	T442-N771 PolarHBondContact OG1-OD1 3.45Å
772	I	95.1	Very high	76.5	Confident	30 Å²	30	112.8 Å²	112.8	15%	0.154	61%	0.61	C	S	.	*	P	Polyproline II helix	trans	-96.6	132.4	174.7	-59.5	167.3	0	0	0	107.4	R441 R443 E770 V774	R441-I772 HydrophobicContact CB-CB 4.11Å; R441-I772 HydrophobicContact CG-CB 3.86Å; R441-I772 HydrophobicContact CG-CD1 3.97Å; R441-I772 HydrophobicContact CG-CG1 4.43Å; R441-I772 HydrophobicContact CG-CG2 4.33Å; R441-I772 PolarHBondContact O-N 2.73Å; R443-I772 HydrophobicContact CB-CD1 3.96Å; R443-I772 HydrophobicContact CB-CG1 4.28Å; E770-I772 PolarHBondContact O-N 3.12Å; I772-V774 PolarHBondContact O-N 3.39Å
773	P	93.5	Very high	73.7	Confident	118 Å²	118	115.7 Å²	115.7	77%	0.766	62%	0.615	S	S	*	*	P	Polyproline II helix	trans	-54.8	136.5	174.8	-25.3	34.3	0	0	0	111.9
774	V	89.8	Confident	70.7	Confident	53 Å²	53	118.3 Å²	118.3	32%	0.321	63%	0.634	S	S	.	*	P	Polyproline II helix	trans	-101.9	146.6	169.7	-64.2	0	0	0	0	108.3	V438 R441 I772 Q776	V438-V774 HydrophobicContact CB-CG1 4.23Å; V438-V774 HydrophobicContact CG1-CG1 3.64Å; R441-V774 HydrophobicContact CB-CG1 3.89Å; I772-V774 PolarHBondContact O-N 3.39Å; V774-Q776 PolarHBondContact O-N 3.11Å
775	E	77.6	Confident	67.7	Low	192 Å²	192	127 Å²	127	90%	0.897	66%	0.658	S	S	*	*	P	Polyproline II helix	trans	-57.4	128	176.4	-71.5	-178.4	169.7	0	0	109.9
776	Q	58.6	Low	66.3	Low	186 Å²	186	130.8 Å²	130.8	87%	0.869	68%	0.679	S	S	*	*	P	Polyproline II helix	trans	-79.8	134	174.5	-69.1	-176.4	-8.9	0	0	108.7	V774 L778	V774-Q776 PolarHBondContact O-N 3.11Å; Q776-L778 PolarHBondContact O-N 3Å
777	N	54.9	Low	64.8	Low	87 Å²	87	128.4 Å²	128.4	47%	0.465	67%	0.674	S	S	.	*			trans	-45	135.8	-179	-72.4	-21	0	0	0	112.6	T779	N777-T779 HydrophobicContact CB-CG2 4.19Å; N777-T779 WeakPolarHBondContact CB-OG1 3.43Å; N777-T779 PolarHBondContact O-N 2.89Å
778	L	44.9	Very low	62.9	Low	158 Å²	158	129.4 Å²	129.4	83%	0.827	69%	0.688	S	S	*	*	S	Bend	trans	-65.7	16.4	171.5	-82.1	159.7	0	0	0	114.4	Q776 G780	Q776-L778 PolarHBondContact O-N 3Å; L778-G780 PolarHBondContact O-N 3Å; L778-G780 VanDerWaalsContact O-N 3.09Å
779	T	43.8	Very low	61	Low	123 Å²	123	132.7 Å²	132.7	76%	0.755	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.9	20	-171.8	49.8	0	0	0	0	114.8	N777	N777-T779 HydrophobicContact CB-CG2 4.19Å; N777-T779 WeakPolarHBondContact CB-OG1 3.43Å; N777-T779 PolarHBondContact O-N 2.89Å
780	G	35	Very low	58.7	Low	76 Å²	76	133.9 Å²	133.9	78%	0.784	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.3	-11.5	-175.9	0	0	0	0	0	117.3	L778	L778-G780 PolarHBondContact O-N 3Å; L778-G780 VanDerWaalsContact O-N 3.09Å
781	Q	30	Very low	56.2	Low	182 Å²	182	137.3 Å²	137.3	85%	0.85	74%	0.738	S	S	*	*	S	Bend	trans	-119.8	2.9	-167.3	-97.6	-173.3	-7.5	0	0	117.7
782	Q	31.6	Very low	53.3	Low	186 Å²	186	138.8 Å²	138.8	87%	0.869	75%	0.747	S	S	*	*			trans	-140.7	68.2	176.5	-75.6	-173.9	-13	0	0	112.5
783	L	32.1	Very low	50.1	Low	178 Å²	178	147.2 Å²	147.2	93%	0.932	79%	0.792	S	S	*	*			trans	-124.5	67.3	156.5	-73.9	171.5	0	0	0	108.1
784	A	29.3	Very low	46.5	Very low	84 Å²	84	149.6 Å²	149.6	69%	0.694	80%	0.795	S	S	*	*			trans	-131.8	83.8	165	0	0	0	0	0	107.6
785	F	30	Very low	42.5	Very low	290 Å²	290	158.4 Å²	158.4	100%	1.272	84%	0.838	S	S	*	*			trans	-148.4	0	155.9	-84.2	-68.1	0	0	0	109.4

Retrieved 785 of 785 residues in 4930.9 ms (Link to these results)

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