A0A096MVJ9_PAPAN Loading...

Receptor protein-tyrosine kinase

AlphaFold DB (A0A2K5N7J8), UniProt , Accession A0A096MVJ9, Species PAPAN (Papio anubis, Olive baboon), Gene EGFR, Length 1,210 aa.

						>A0A096MVJ9_PAPAN|A0A096MVJ9|EGFR
MRPSGTAGAALLALLAALCPASRALEEKKVCQGTSNKLTQLGTFEDHFLSLQRMFNNCEVVLGNLEITYVQRNYDLSFLKTIQEVAGYVLIALNTVERIPLENLQIIRGNMYYENSYALAVLSNYDANKTGLKELPMRNLQEILHGAVRFSNNPALCNVESIQWRDIVSSEFLSNMSMDFQNHLGSCQKCDPSCPNGSCWGAGEENCQKLTKIICAQQCSGRCRGKSPSDCCHNQCAAGCTGPRESDCLVCRKFRDEATCKDTCPPLMLYNPTTYQMDVNPEGKYSFGATCVKKCPRNYVVTDHGSCVRACGADSYEMEEDGVRKCKKCEGPCRKVCNGIGIGEFKDTLSINATNIKHFKNCTSISGDLHILPVAFRGDSFTHTPPLDPQELDILKTVKEITGFLLIQAWPENRTDLHAFENLEIIRGRTKQHGQFSLAVVSLNITSLGLRSLKEISDGDVIISGNKNLCYANTINWKKLFGTSSQKTKIISNRGENSCKATGQVCHALCSPEGCWGPEPRDCVSCQNVSRGRECVDKCNILEGEPREFVENSECIQCHPECLPQVMNITCTGRGPDNCIQCAHYIDGPHCVKTCPAGVMGENNTLVWKYADAGHVCHLCHPNCTYGCTGPGLEGCARNGPKIPSIATGMVGALLLLLVVALGIGLFMRRRHIVRKRTLRRLLQERELVEPLTPSGEAPNQALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELREATSPKANKEILDEAYVMASVDNPHVCRLLGICLTSTVQLITQLMPFGCLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVKITDFGLAKLLGAEEKEYHAEGGKVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGERLPQPPICTIDVYMIMVKCWMIDADSRPKFRELIVEFSKMARDPQRYLVIQGDERMHLPSPTDSNFYRALMDEEDMDDVVDADEYLIPQQGFFSSPSTSRTPLLSSLSATSNNSTVACIDRNGLQSCPIKEDSFLQRYSSDPTGALTEDSIDDTFLPVPEYINQSVPKRPAGSVQNPVYHNQPLNPAPSRDPHYQDPHSTAVGNPEYLNTVQPTCVNSTFDSPAHWAQKGSHQISLDNPDYQQDFFPKEAKPNGIFKGSTAENAEYLRVAPQSSEFIGA
					

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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	33.7	Very low	39.5	Very low	242 Å²	242	123.8 Å²	123.8	100%	1.192	78%	0.775	S	S	*	*				0	156.5	0	-71.7	168.5	166.5	0	0	108.6
2	R	42.7	Very low	39.7	Very low	244 Å²	244	124.1 Å²	124.1	92%	0.921	77%	0.766	S	S	*	*			trans	-68.1	146.6	160.1	-72.4	180	173.1	174.4	-3	108.6
3	P	39.2	Very low	39.7	Very low	110 Å²	110	120.5 Å²	120.5	71%	0.714	76%	0.756	S	S	*	*				-125.4	149.2	92.8	7.9	15.4	0	0	0	110.7
4	S	36	Very low	39.7	Very low	117 Å²	117	121 Å²	121	82%	0.818	75%	0.75	S	S	*	*				41.9	131.4	75.7	66.7	0	0	0	0	114.5
5	G	39.3	Very low	39.6	Very low	59 Å²	59	120.4 Å²	120.4	61%	0.608	74%	0.739	S	S	*	*			cis	166.8	173	2.4	0	0	0	0	0	109
6	T	45.6	Very low	39.1	Very low	153 Å²	153	117.9 Å²	117.9	94%	0.939	74%	0.735	S	S	*	*			trans	45.6	75.7	165.1	54.1	0	0	0	0	117.4
7	A	37.1	Very low	38.9	Very low	92 Å²	92	116 Å²	116	76%	0.76	73%	0.733	S	S	*	*			trans	-146.8	-32	164.2	0	0	0	0	0	114.6	A9	A7-A9 PolarHBondContact O-N 3.11Å
8	G	38	Very low	38.6	Very low	52 Å²	52	117.5 Å²	117.5	54%	0.536	73%	0.734	S	S	.	*	T	Hydrogen-bonded Turn	trans	-72.3	-18	-168.4	0	0	0	0	0	117.5	A10 L11	G8-A10 VanDerWaalsContact C-N 3.34Å; G8-A10 PolarHBondContact O-N 3.36Å; G8-L11 PolarHBondContact O-N 2.98Å
9	A	39.3	Very low	38	Very low	93 Å²	93	116.8 Å²	116.8	77%	0.769	73%	0.732	S	S	*	*	H	α-helix	trans	-68.4	-27.7	-169.9	0	0	0	0	0	114.5	A7	A7-A9 PolarHBondContact O-N 3.11Å
10	A	42.3	Very low	37.7	Very low	74 Å²	74	117.2 Å²	117.2	61%	0.612	74%	0.736	S	S	*	*	H	α-helix	trans	-79.9	-26.4	-177.9	0	0	0	0	0	113.6	G8	G8-A10 VanDerWaalsContact C-N 3.34Å; G8-A10 PolarHBondContact O-N 3.36Å
11	L	41.3	Very low	37.3	Very low	126 Å²	126	116 Å²	116	66%	0.66	74%	0.737	S	S	*	*	H	α-helix	trans	-81	-31.3	-171.9	-135.7	76	0	0	0	113.2	G8 L14	G8-L11 PolarHBondContact O-N 2.98Å; L11-L14 PolarHBondContact O-N 3.11Å
12	L	41.7	Very low	37.2	Very low	127 Å²	127	110.1 Å²	110.1	67%	0.665	72%	0.72	S	S	*	*	H	α-helix	trans	-69.1	-33.7	-178.8	-79.7	161.2	0	0	0	113	L14 L15 A16	L12-L14 VanDerWaalsContact C-N 3.26Å; L12-L14 PolarHBondContact O-N 2.77Å; L12-L15 PolarHBondContact O-N 2.88Å; L12-A16 PolarHBondContact O-N 3.24Å
13	A	40.5	Very low	36.6	Very low	77 Å²	77	109.7 Å²	109.7	64%	0.636	72%	0.719	S	S	*	*	H	α-helix	trans	-64.5	-29.8	177.6	0	0	0	0	0	113.1
14	L	39.6	Very low	36.3	Very low	128 Å²	128	108.7 Å²	108.7	67%	0.67	72%	0.72	S	S	*	*	H	α-helix	trans	-80.7	-23.1	179.1	-92	156.9	0	0	0	113.7	L11 L12	L11-L14 PolarHBondContact O-N 3.11Å; L12-L14 VanDerWaalsContact C-N 3.26Å; L12-L14 PolarHBondContact O-N 2.77Å
15	L	37.2	Very low	36.5	Very low	112 Å²	112	108.6 Å²	108.6	59%	0.586	71%	0.709	S	S	*	*	H	α-helix	trans	-84.8	-31.9	179.4	-72.6	166	0	0	0	112.8	L12 A17 L18	L12-L15 PolarHBondContact O-N 2.88Å; L15-A17 PolarHBondContact O-N 3.19Å; L15-L18 PolarHBondContact O-N 2.9Å
16	A	32.9	Very low	37	Very low	81 Å²	81	113.5 Å²	113.5	67%	0.669	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.2	-23.4	177.6	0	0	0	0	0	113.7	L12 L18	L12-A16 PolarHBondContact O-N 3.24Å; A16-L18 VanDerWaalsContact C-N 3.35Å
17	A	34.6	Very low	38	Very low	85 Å²	85	114.4 Å²	114.4	70%	0.702	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.1	-3.3	-179.1	0	0	0	0	0	114.7	L15	L15-A17 PolarHBondContact O-N 3.19Å
18	L	33.7	Very low	40	Very low	143 Å²	143	111.6 Å²	111.6	75%	0.749	68%	0.68	S	S	*	*	S	Bend	trans	-119.2	2.8	-173.6	-77.5	169.3	0	0	0	114.8	L15 A16 P20	L15-L18 PolarHBondContact O-N 2.9Å; A16-L18 VanDerWaalsContact C-N 3.35Å; L18-P20 VanDerWaalsContact O-CD 3.28Å; L18-P20 WeakPolarHBondContact O-CD 3.38Å
19	C	27.9	Very low	42.2	Very low	105 Å²	105	114.5 Å²	114.5	71%	0.709	68%	0.678	S	S	*	*			trans	-79.4	114	166.5	-71.7	0	0	0	0	109.7	A21	C19-A21 PolarHBondContact O-N 3.1Å
20	P	32.3	Very low	44.2	Very low	123 Å²	123	113.3 Å²	113.3	80%	0.799	66%	0.661	S	S	*	*			trans	-64.9	123.9	167.4	28.3	-32.5	0	0	0	108.2	L18 S22	L18-P20 VanDerWaalsContact O-CD 3.28Å; L18-P20 WeakPolarHBondContact O-CD 3.38Å; P20-S22 PolarHBondContact O-N 3.16Å
21	A	29.1	Very low	46.1	Very low	92 Å²	92	110.6 Å²	110.6	76%	0.76	64%	0.638	S	S	*	*			trans	-54.8	129.7	173.9	0	0	0	0	0	109.4	C19 R23	C19-A21 PolarHBondContact O-N 3.1Å; A21-R23 PolarHBondContact O-N 3.39Å
22	S	30.6	Very low	47.6	Very low	120 Å²	120	107.6 Å²	107.6	84%	0.839	62%	0.62	S	S	*	*			trans	-60.7	100.1	177.6	51.4	0	0	0	0	109.3	P20 A24	P20-S22 PolarHBondContact O-N 3.16Å; S22-A24 PolarHBondContact O-N 3.27Å
23	R	31	Very low	49.4	Very low	235 Å²	235	101.9 Å²	101.9	89%	0.887	59%	0.592	S	S	*	*			trans	-55.9	124	177	-77.3	-177.7	171.3	167.9	-4.4	108.9	A21	A21-R23 PolarHBondContact O-N 3.39Å
24	A	31.5	Very low	51	Low	89 Å²	89	99.5 Å²	99.5	74%	0.736	57%	0.57	S	S	*	*			trans	-56	140	162.8	0	0	0	0	0	108.6	S22 E26	S22-A24 PolarHBondContact O-N 3.27Å; A24-E26 PolarHBondContact O-N 3.23Å; A24-E26 VanDerWaalsContact O-N 3.1Å
25	L	41.3	Very low	52.8	Low	115 Å²	115	97 Å²	97	60%	0.602	56%	0.562	S	S	*	*			trans	-72.7	105.8	-172.1	-166.4	76.4	0	0	0	109.9	E27 E257 A258	L25-E27 PolarHBondContact O-N 3.31Å; L25-E257 HydrophobicContact CD2-CB 4.35Å; L25-A258 HydrophobicContact CD1-CB 4.25Å
26	E	49.2	Very low	54.6	Low	161 Å²	161	94.1 Å²	94.1	75%	0.752	55%	0.548	S	S	*	.			trans	-69.1	103.5	-179.4	-76.8	177.4	137.8	0	0	111.6	A24 K28 R255	A24-E26 PolarHBondContact O-N 3.23Å; A24-E26 VanDerWaalsContact O-N 3.1Å; E26-K28 PolarHBondContact O-N 3.1Å; E26-R255 PolarHBondContact O-NH1 3.33Å
27	E	66.7	Low	57.1	Low	172 Å²	172	96.2 Å²	96.2	80%	0.804	54%	0.542	S	S	*	.			trans	-76.8	95.4	165	-173.8	169.8	-153.8	0	0	109	L25 K29	L25-E27 PolarHBondContact O-N 3.31Å; E27-K29 PolarHBondContact O-N 3.34Å
28	K	79.3	Confident	59.5	Low	34 Å²	34	95.5 Å²	95.5	15%	0.148	53%	0.526	C	S	.	.	P	Polyproline II helix	trans	-52.9	133.9	-179.1	-63.4	-168.8	-174.7	-174.5	0	111.7	E26 V30 E59 V60 E84	E26-K28 PolarHBondContact O-N 3.1Å; K28-V30 PolarHBondContact O-N 3.43Å; K28-E59 WeakPolarHBondContact CA-OE2 3.46Å; K28-E59 HydrophobicContact CB-CB 4.21Å; K28-V60 HydrophobicContact CB-CG2 3.79Å; K28-V60 HydrophobicContact CD-CG2 3.76Å; K28-V60 HydrophobicContact CG-CG2 4.45Å; K28-E84 IonicContact NZ-OE1 2.99Å; K28-E84 PolarHBondContact NZ-OE1 3.25Å
29	K	85.1	Confident	61	Low	113 Å²	113	92.8 Å²	92.8	49%	0.491	52%	0.516	S	S	.	.	P	Polyproline II helix	trans	-73.4	119.5	-176.7	-178.1	163.5	157.4	-173.2	0	112.1	E27 N57 E59 V60	E27-K29 PolarHBondContact O-N 3.34Å; K29-N57 HydrophobicContact CD-CB 4.4Å; K29-N57 WeakPolarHBondContact CD-O 3.5Å; K29-N57 WeakPolarHBondContact CE-O 3.04Å; K29-N57 VanDerWaalsContact CG-O 3.3Å; K29-N57 WeakPolarHBondContact CG-O 3.48Å; K29-E59 HydrophobicContact CB-CG 4.49Å; K29-E59 PolarHBondContact N-OE2 3.44Å; K29-E59 PolarHBondContact O-N 2.71Å; K29-V60 PolarHBondContact O-N 3.47Å; K29-V60 VanDerWaalsContact O-N 3.14Å
30	V	81.3	Confident	63.3	Low	68 Å²	68	91.1 Å²	91.1	41%	0.412	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	146.8	-178.6	-63.8	0	0	0	0	113.2	K28 V60 L62 F287	K28-V30 PolarHBondContact O-N 3.43Å; V30-V60 CarbonylContact C-O 3.6Å; V30-V60 WeakPolarHBondContact CA-O 3.39Å; V30-V60 HydrophobicContact CG1-CB 4.15Å; V30-V60 HydrophobicContact CG1-CG1 4.35Å; V30-L62 HydrophobicContact CB-CD1 4.25Å; V30-L62 HydrophobicContact CB-CG 4.34Å; V30-L62 HydrophobicContact CG1-CD2 4.32Å; V30-F287 HydrophobicContact CG1-CE1 4.41Å; V30-F287 HydrophobicContact CG2-CE1 4.47Å; V30-F287 HydrophobicContact CG2-CZ 4.49Å
31	C	82.3	Confident	64.5	Low	17 Å²	17	88.5 Å²	88.5	12%	0.115	48%	0.476	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	165.1	163.6	67.9	0	0	0	0	110.9	M54 F55 C58 V60 L62	C31-M54 WeakPolarHBondContact CB-O 3.33Å; C31-F55 VanDerWaalsContact SG-CD1 3.58Å; C31-C58 HydrophobicContact CB-CB 3.64Å; C31-C58 WeakPolarHBondContact CB-SG 3.4Å; C31-C58 PolarHBondContact N-SG 3.48Å; C31-C58 VanDerWaalsContact N-SG 3.38Å; C31-C58 WeakPolarHBondContact SG-CB 3.13Å; C31-C58 CovalentContact SG-SG 2.03Å; C31-C58 PolarHBondContact SG-SG 3.08Å; C31-V60 PolarHBondContact N-O 2.76Å; C31-L62 PolarHBondContact O-N 3.03Å
32	Q	71.4	Confident	66.8	Low	63 Å²	63	86.8 Å²	86.8	29%	0.294	47%	0.467	S	S	.	.			trans	-77.7	-35	-173.3	-172.6	56.2	22.6	0	0	113.4	M54 G63 R309	Q32-M54 HydrophobicContact CB-SD 4.22Å; Q32-G63 VanDerWaalsContact O-CA 3.3Å; Q32-G63 WeakPolarHBondContact O-CA 3.32Å; Q32-G63 PolarHBondContact O-N 2.9Å; Q32-R309 VanDerWaalsContact CD-CZ 3.42Å
33	G	79.6	Confident	69.2	Low	7 Å²	7	84.7 Å²	84.7	7%	0.072	45%	0.449	C	S	.	.			trans	70.1	-170.2	-162.1	0	0	0	0	0	112.5	N64	G33-N64 CarbonylContact C-O 3.45Å; G33-N64 WeakPolarHBondContact CA-O 3.23Å
34	T	75.3	Confident	71.8	Confident	27 Å²	27	77.6 Å²	77.6	17%	0.166	43%	0.425	C	S	.	.	B	Isolated β-bridge	trans	-130.5	177.7	-168.4	53.6	0	0	0	0	112.2	M54 N64 E66	T34-M54 HydrophobicContact CG2-CE 4.38Å; T34-M54 HydrophobicContact CG2-CG 4.34Å; T34-N64 PolarHBondContact N-O 3.01Å; T34-N64 WeakPolarHBondContact O-CB 3.18Å; T34-N64 PolarHBondContact O-ND2 3.43Å; T34-E66 VanDerWaalsContact C-OE2 3.3Å; T34-E66 WeakPolarHBondContact CB-OE2 3.18Å; T34-E66 WeakPolarHBondContact OG1-CB 3.37Å; T34-E66 WeakPolarHBondContact OG1-CG 3.49Å; T34-E66 PolarHBondContact OG1-OE2 2.84Å
35	S	76.9	Confident	74.4	Confident	74 Å²	74	79 Å²	79	52%	0.517	42%	0.416	S	S	.	.			trans	-152.1	32.7	176.7	-65.1	0	0	0	0	111.8	N64 E66	S35-N64 PolarHBondContact OG-ND2 3.07Å; S35-E66 VanDerWaalsContact C-OE1 3.32Å; S35-E66 WeakPolarHBondContact CA-OE1 3.4Å; S35-E66 PolarHBondContact N-OE2 3.2Å; S35-E66 VanDerWaalsContact N-OE2 3.09Å
36	N	74.5	Confident	76.1	Confident	53 Å²	53	77.6 Å²	77.6	28%	0.283	41%	0.41	S	S	.	.			trans	-84.3	-15.3	-174.7	-55.1	-29.9	0	0	0	112.3	L38 T39 E66	N36-L38 PolarHBondContact O-N 3.25Å; N36-T39 VanDerWaalsContact O-CB 3.32Å; N36-T39 WeakPolarHBondContact O-CB 3.45Å; N36-T39 PolarHBondContact O-N 2.88Å; N36-T39 PolarHBondContact O-OG1 3.12Å; N36-E66 VanDerWaalsContact N-CD 3.33Å; N36-E66 PolarHBondContact N-OE1 3.48Å; N36-E66 VanDerWaalsContact N-OE1 3.09Å; N36-E66 PolarHBondContact N-OE2 3.36Å
37	K	85.8	Confident	77.5	Confident	125 Å²	125	70.5 Å²	70.5	54%	0.543	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.8	-105.3	-174.9	-56.5	175.5	-174.9	177.6	0	111.7	E66 L90 Y113	K37-E66 WeakPolarHBondContact CA-OE1 3.4Å; K37-E66 PolarHBondContact N-OE1 3.07Å; K37-L90 WeakPolarHBondContact O-CD2 3.44Å; K37-Y113 HydrophobicContact CB-CE2 4.34Å
38	L	83.9	Confident	78.7	Confident	69 Å²	69	63.1 Å²	63.1	36%	0.361	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.5	17.3	179.8	-55.6	179.1	0	0	0	112.2	N36 Q40 T68 Y69 L90 A92 L93	N36-L38 PolarHBondContact O-N 3.25Å; L38-Q40 PolarHBondContact O-N 3.08Å; L38-T68 HydrophobicContact CD2-CG2 4.46Å; L38-Y69 PolarHBondContact O-OH 3.23Å; L38-L90 HydrophobicContact CD2-CD2 4.3Å; L38-A92 HydrophobicContact CD2-CB 3.76Å; L38-L93 HydrophobicContact CD2-CD1 4.38Å
39	T	66.6	Low	78.9	Confident	87 Å²	87	64 Å²	64	53%	0.534	35%	0.347	S	S	.	.			trans	-82.2	114.1	173.5	-58.4	0	0	0	0	110.3	N36 L41 H47	N36-T39 VanDerWaalsContact O-CB 3.32Å; N36-T39 WeakPolarHBondContact O-CB 3.45Å; N36-T39 PolarHBondContact O-N 2.88Å; N36-T39 PolarHBondContact O-OG1 3.12Å; T39-L41 HydrophobicContact CG2-CD2 4.43Å; T39-H47 PolarHBondContact O-CE1 3.18Å
40	Q	74.9	Confident	78.5	Confident	70 Å²	70	61 Å²	61	33%	0.327	34%	0.341	S	S	.	.			trans	-69.6	138.4	169.5	-174.6	178.3	-37.5	0	0	110.6	L38 G42 F44 Y69	L38-Q40 PolarHBondContact O-N 3.08Å; Q40-G42 PolarHBondContact NE2-O 3.27Å; Q40-F44 VanDerWaalsContact OE1-CE1 3.31Å; Q40-Y69 HydrophobicContact CB-CD2 3.85Å; Q40-Y69 HydrophobicContact CB-CE2 3.77Å; Q40-Y69 HydrophobicContact CB-CG 4.35Å; Q40-Y69 HydrophobicContact CG-CD2 4.21Å; Q40-Y69 HydrophobicContact CG-CG 4.32Å
41	L	58.8	Low	78.8	Confident	68 Å²	68	58.4 Å²	58.4	36%	0.356	33%	0.325	S	S	.	.			trans	-108.7	100.1	177.7	-60.5	-178.7	0	0	0	110.9	T39 H47	T39-L41 HydrophobicContact CG2-CD2 4.43Å; L41-H47 PolarHBondContact N-ND1 3.22Å; L41-H47 PolarHBondContact O-N 2.82Å
42	G	76.4	Confident	79.2	Confident	55 Å²	55	60.8 Å²	60.8	57%	0.567	33%	0.334	S	S	*	.	S	Bend	trans	72.3	-147.4	179.9	0	0	0	0	0	113	Q40	Q40-G42 PolarHBondContact NE2-O 3.27Å
43	T	81.8	Confident	79.7	Confident	76 Å²	76	67.4 Å²	67.4	47%	0.466	36%	0.356	S	S	.	.	S	Bend	trans	-71.7	170.4	172.9	69.5	0	0	0	0	111.5	E45 D46 H47	T43-E45 PolarHBondContact O-N 2.99Å; T43-E45 PolarHBondContact OG1-N 3.42Å; T43-D46 VanDerWaalsContact CB-OD2 3.29Å; T43-D46 WeakPolarHBondContact CB-OD2 3.47Å; T43-D46 WeakPolarHBondContact CG2-OD2 3.49Å; T43-D46 PolarHBondContact N-OD2 3.1Å; T43-D46 PolarHBondContact O-N 3.34Å; T43-D46 VanDerWaalsContact OG1-CG 3.27Å; T43-D46 PolarHBondContact OG1-N 3.02Å; T43-D46 VanDerWaalsContact OG1-N 3.14Å; T43-D46 PolarHBondContact OG1-OD2 3Å; T43-H47 WeakPolarHBondContact O-CB 3.35Å; T43-H47 PolarHBondContact O-N 3.26Å
44	F	86.3	Confident	79.8	Confident	87 Å²	87	70.4 Å²	70.4	38%	0.382	37%	0.369	S	S	.	.	H	α-helix	trans	-60.3	-31	173	-62.8	-55.2	0	0	0	112.7	Q40 F48 Y69 Q71	Q40-F44 VanDerWaalsContact OE1-CE1 3.31Å; F44-F48 WeakPolarHBondContact O-CB 3.25Å; F44-F48 PolarHBondContact O-N 2.85Å; F44-Y69 HydrophobicContact CE1-CD1 4.06Å; F44-Y69 HydrophobicContact CE1-CG 4.42Å; F44-Q71 HydrophobicContact CB-CG 3.98Å; F44-Q71 HydrophobicContact CD1-CG 4.27Å; F44-Q71 HydrophobicContact CD2-CG 4.07Å; F44-Q71 HydrophobicContact CG-CG 3.85Å
45	E	84.6	Confident	80.6	Confident	118 Å²	118	69.1 Å²	69.1	55%	0.551	36%	0.362	S	S	*	.	H	α-helix	trans	-73.7	-45.2	176.9	-169.8	174.2	171.6	0	0	111.2	T43 H47 F48 L49	T43-E45 PolarHBondContact O-N 2.99Å; T43-E45 PolarHBondContact OG1-N 3.42Å; E45-H47 VanDerWaalsContact C-N 3.3Å; E45-H47 PolarHBondContact O-N 2.89Å; E45-F48 PolarHBondContact O-N 3.26Å; E45-L49 HydrophobicContact CG-CD1 4.07Å; E45-L49 HydrophobicContact CG-CG 4.48Å; E45-L49 WeakPolarHBondContact O-CB 3.44Å; E45-L49 VanDerWaalsContact O-CG 3.26Å; E45-L49 WeakPolarHBondContact O-CG 3.38Å; E45-L49 PolarHBondContact O-N 2.83Å
46	D	76.8	Confident	81.3	Confident	86 Å²	86	69.6 Å²	69.6	46%	0.46	36%	0.358	S	S	.	.	H	α-helix	trans	-57.6	-44.4	173.7	-61.9	-60.9	0	0	0	111.6	T43 L49 S50	T43-D46 VanDerWaalsContact CB-OD2 3.29Å; T43-D46 WeakPolarHBondContact CB-OD2 3.47Å; T43-D46 WeakPolarHBondContact CG2-OD2 3.49Å; T43-D46 PolarHBondContact N-OD2 3.1Å; T43-D46 PolarHBondContact O-N 3.34Å; T43-D46 VanDerWaalsContact OG1-CG 3.27Å; T43-D46 PolarHBondContact OG1-N 3.02Å; T43-D46 VanDerWaalsContact OG1-N 3.14Å; T43-D46 PolarHBondContact OG1-OD2 3Å; D46-L49 PolarHBondContact O-N 2.96Å; D46-S50 WeakPolarHBondContact O-CB 3.11Å; D46-S50 PolarHBondContact O-N 3Å
47	H	79.6	Confident	82.1	Confident	12 Å²	12	71 Å²	71	6%	0.056	37%	0.366	C	S	.	.	H	α-helix	trans	-65.1	-44.1	180	-167.2	81.5	0	0	0	111.5	T39 L41 T43 E45 S50 L51 T68 Y69	T39-H47 PolarHBondContact O-CE1 3.18Å; L41-H47 PolarHBondContact N-ND1 3.22Å; L41-H47 PolarHBondContact O-N 2.82Å; T43-H47 WeakPolarHBondContact O-CB 3.35Å; T43-H47 PolarHBondContact O-N 3.26Å; E45-H47 VanDerWaalsContact C-N 3.3Å; E45-H47 PolarHBondContact O-N 2.89Å; H47-S50 WeakPolarHBondContact O-CB 3.27Å; H47-S50 PolarHBondContact O-N 3.35Å; H47-L51 WeakPolarHBondContact O-CB 3.44Å; H47-L51 PolarHBondContact O-N 2.85Å; H47-T68 PolarHBondContact CD2-O 3Å; H47-T68 WeakPolarHBondContact NE2-CA 3.44Å; H47-T68 VanDerWaalsContact NE2-CB 3.29Å; H47-T68 WeakPolarHBondContact NE2-CB 3.48Å; H47-T68 PolarHBondContact NE2-N 3.25Å; H47-T68 PolarHBondContact NE2-O 3.45Å; H47-T68 PolarHBondContact NE2-OG1 3.16Å; H47-Y69 AromaticContact NE2-CD2 3.94Å
48	F	90.8	Very high	82.4	Confident	17 Å²	17	65.2 Å²	65.2	8%	0.075	34%	0.341	C	S	.	.	H	α-helix	trans	-63.7	-44.1	173.6	172.7	-91.6	0	0	0	112.4	F44 E45 S50 L51 Q52 V70 Y74 D75 L76 F78	F44-F48 WeakPolarHBondContact O-CB 3.25Å; F44-F48 PolarHBondContact O-N 2.85Å; E45-F48 PolarHBondContact O-N 3.26Å; F48-S50 VanDerWaalsContact C-N 3.27Å; F48-S50 PolarHBondContact O-N 3Å; F48-L51 WeakPolarHBondContact O-CB 3.48Å; F48-L51 PolarHBondContact O-N 2.95Å; F48-Q52 HydrophobicContact CE1-CB 4.42Å; F48-Q52 WeakPolarHBondContact O-CB 3.28Å; F48-Q52 PolarHBondContact O-N 2.91Å; F48-V70 HydrophobicContact CD2-CG1 4.26Å; F48-Y74 HydrophobicContact CB-CD1 3.93Å; F48-Y74 HydrophobicContact CB-CE1 3.81Å; F48-Y74 AromaticContact CD1-CD1 3.46Å; F48-Y74 HydrophobicContact CD1-CD1 3.46Å; F48-Y74 VanDerWaalsContact CD1-CD1 3.46Å; F48-Y74 AromaticContact CD1-CE1 3.61Å; F48-Y74 HydrophobicContact CD1-CE1 3.61Å; F48-Y74 AromaticContact CD2-CD1 3.43Å; F48-Y74 HydrophobicContact CD2-CD1 3.43Å; F48-Y74 VanDerWaalsContact CD2-CD1 3.43Å; F48-Y74 HydrophobicContact CD2-CE1 4.2Å; F48-Y74 HydrophobicContact CD2-CG 4.01Å; F48-Y74 AromaticContact CE1-CD1 3.77Å; F48-Y74 HydrophobicContact CE1-CD1 3.77Å; F48-Y74 HydrophobicContact CE1-CE1 4.24Å; F48-Y74 AromaticContact CE2-CD1 3.72Å; F48-Y74 HydrophobicContact CE2-CD1 3.72Å; F48-Y74 HydrophobicContact CE2-CG 4.25Å; F48-Y74 AromaticContact CG-CD1 3.29Å; F48-Y74 HydrophobicContact CG-CD1 3.29Å; F48-Y74 AromaticContact CG-CE1 3.59Å; F48-Y74 HydrophobicContact CG-CE1 3.59Å; F48-Y74 HydrophobicContact CG-CG 4.24Å; F48-Y74 AromaticContact CZ-CD1 3.88Å; F48-Y74 HydrophobicContact CZ-CD1 3.88Å; F48-D75 WeakPolarHBondContact CE2-O 3.37Å; F48-D75 VanDerWaalsContact CZ-O 3.28Å; F48-D75 WeakPolarHBondContact CZ-O 3.41Å; F48-L76 HydrophobicContact CD2-CD2 4.44Å; F48-L76 HydrophobicContact CE2-CD2 3.98Å; F48-F78 HydrophobicContact CE2-CE1 4.05Å; F48-F78 HydrophobicContact CE2-CZ 4.47Å; F48-F78 HydrophobicContact CZ-CE1 4.07Å
49	L	83.8	Confident	82.8	Confident	51 Å²	51	64.5 Å²	64.5	27%	0.267	34%	0.336	S	S	.	.	H	α-helix	trans	-64.4	-33.8	177.6	-71.6	171.7	0	0	0	111.5	E45 D46 R53	E45-L49 HydrophobicContact CG-CD1 4.07Å; E45-L49 HydrophobicContact CG-CG 4.48Å; E45-L49 WeakPolarHBondContact O-CB 3.44Å; E45-L49 VanDerWaalsContact O-CG 3.26Å; E45-L49 WeakPolarHBondContact O-CG 3.38Å; E45-L49 PolarHBondContact O-N 2.83Å; D46-L49 PolarHBondContact O-N 2.96Å; L49-R53 VanDerWaalsContact O-CB 3.32Å; L49-R53 WeakPolarHBondContact O-CB 3.45Å; L49-R53 WeakPolarHBondContact O-CD 3.17Å; L49-R53 WeakPolarHBondContact O-CG 3.15Å; L49-R53 PolarHBondContact O-N 3.37Å
50	S	78.1	Confident	84	Confident	52 Å²	52	61.4 Å²	61.4	36%	0.364	32%	0.317	S	S	.	.	H	α-helix	trans	-65.7	-47.7	171.6	-168.2	0	0	0	0	111.8	D46 H47 F48 Q52 R53 M54	D46-S50 WeakPolarHBondContact O-CB 3.11Å; D46-S50 PolarHBondContact O-N 3Å; H47-S50 WeakPolarHBondContact O-CB 3.27Å; H47-S50 PolarHBondContact O-N 3.35Å; F48-S50 VanDerWaalsContact C-N 3.27Å; F48-S50 PolarHBondContact O-N 3Å; S50-Q52 PolarHBondContact O-N 3.12Å; S50-R53 PolarHBondContact O-N 3.4Å; S50-M54 WeakPolarHBondContact O-CB 3.43Å; S50-M54 PolarHBondContact O-N 3Å
51	L	86.8	Confident	84.6	Confident	12 Å²	12	58.1 Å²	58.1	6%	0.063	30%	0.302	C	S	.	.	H	α-helix	trans	-56.7	-48.9	174.7	-174.9	76.4	0	0	0	111.4	H47 F48 M54 F55 E66 I67 V70 L76 F78	H47-L51 WeakPolarHBondContact O-CB 3.44Å; H47-L51 PolarHBondContact O-N 2.85Å; F48-L51 WeakPolarHBondContact O-CB 3.48Å; F48-L51 PolarHBondContact O-N 2.95Å; L51-M54 PolarHBondContact O-N 3.02Å; L51-F55 HydrophobicContact CD1-CD2 3.66Å; L51-F55 HydrophobicContact CD1-CE2 3.67Å; L51-F55 HydrophobicContact CG-CD2 4.2Å; L51-F55 WeakPolarHBondContact O-CD2 3.05Å; L51-F55 PolarHBondContact O-N 2.92Å; L51-E66 VanDerWaalsContact CD1-O 3.24Å; L51-E66 WeakPolarHBondContact CD1-O 3.29Å; L51-I67 HydrophobicContact CD1-CG1 4.49Å; L51-I67 HydrophobicContact CD2-CG2 4.35Å; L51-V70 HydrophobicContact CD2-CG2 3.82Å; L51-L76 HydrophobicContact CD2-CD2 3.89Å; L51-F78 HydrophobicContact CD2-CZ 4.26Å; L51-F78 HydrophobicContact CG-CE2 4.49Å; L51-F78 HydrophobicContact CG-CZ 4.31Å
52	Q	89.9	Confident	85.7	Confident	68 Å²	68	56.7 Å²	56.7	32%	0.318	29%	0.294	S	S	.	.	H	α-helix	trans	-61.8	-47.5	178.1	-168.8	-177	54.8	0	0	111	F48 S50 M54 F55 N56 F78	F48-Q52 HydrophobicContact CE1-CB 4.42Å; F48-Q52 WeakPolarHBondContact O-CB 3.28Å; F48-Q52 PolarHBondContact O-N 2.91Å; S50-Q52 PolarHBondContact O-N 3.12Å; Q52-M54 VanDerWaalsContact C-N 3.28Å; Q52-M54 PolarHBondContact O-N 3.11Å; Q52-F55 PolarHBondContact O-N 3.4Å; Q52-N56 WeakPolarHBondContact O-CB 3.45Å; Q52-N56 PolarHBondContact O-N 3.04Å; Q52-F78 HydrophobicContact CB-CE1 4.05Å; Q52-F78 HydrophobicContact CB-CZ 4.02Å; Q52-F78 HydrophobicContact CG-CD1 3.99Å; Q52-F78 HydrophobicContact CG-CE1 3.89Å; Q52-F78 HydrophobicContact CG-CG 4.44Å; Q52-F78 HydrophobicContact CG-CZ 4.27Å
53	R	81.6	Confident	85.9	Confident	201 Å²	201	54.6 Å²	54.6	76%	0.758	27%	0.272	S	S	*	.	H	α-helix	trans	-60.4	-34	177.2	-73.8	166.8	-170.8	175.1	6	113.2	L49 S50	L49-R53 VanDerWaalsContact O-CB 3.32Å; L49-R53 WeakPolarHBondContact O-CB 3.45Å; L49-R53 WeakPolarHBondContact O-CD 3.17Å; L49-R53 WeakPolarHBondContact O-CG 3.15Å; L49-R53 PolarHBondContact O-N 3.37Å; S50-R53 PolarHBondContact O-N 3.4Å
54	M	81.8	Confident	86.2	Confident	70 Å²	70	51 Å²	51	35%	0.345	25%	0.25	S	C	.	.	H	α-helix	trans	-73.6	-42.9	178.8	-177.9	59.8	68.4	0	0	113	C31 Q32 T34 S50 L51 Q52	C31-M54 WeakPolarHBondContact CB-O 3.33Å; Q32-M54 HydrophobicContact CB-SD 4.22Å; T34-M54 HydrophobicContact CG2-CE 4.38Å; T34-M54 HydrophobicContact CG2-CG 4.34Å; S50-M54 WeakPolarHBondContact O-CB 3.43Å; S50-M54 PolarHBondContact O-N 3Å; L51-M54 PolarHBondContact O-N 3.02Å; Q52-M54 VanDerWaalsContact C-N 3.28Å; Q52-M54 PolarHBondContact O-N 3.11Å
55	F	92.6	Very high	86.7	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-108.6	-2.3	-168	-63.9	-69.4	0	0	0	114.9	C31 L51 Q52 N57 C58 V61 L65 F78 L79 I82	C31-F55 VanDerWaalsContact SG-CD1 3.58Å; L51-F55 HydrophobicContact CD1-CD2 3.66Å; L51-F55 HydrophobicContact CD1-CE2 3.67Å; L51-F55 HydrophobicContact CG-CD2 4.2Å; L51-F55 WeakPolarHBondContact O-CD2 3.05Å; L51-F55 PolarHBondContact O-N 2.92Å; Q52-F55 PolarHBondContact O-N 3.4Å; F55-N57 PolarHBondContact O-N 2.87Å; F55-C58 WeakPolarHBondContact O-CB 3.43Å; F55-C58 PolarHBondContact O-N 3.48Å; F55-V61 HydrophobicContact CD1-CG2 4.12Å; F55-V61 HydrophobicContact CE1-CG1 3.9Å; F55-V61 HydrophobicContact CE1-CG2 3.8Å; F55-L65 HydrophobicContact CD1-CD1 3.97Å; F55-L65 HydrophobicContact CD2-CD1 4.2Å; F55-L65 HydrophobicContact CE1-CD1 3.63Å; F55-L65 HydrophobicContact CE2-CD1 3.87Å; F55-L65 HydrophobicContact CG-CD1 4.25Å; F55-L65 HydrophobicContact CZ-CD1 3.58Å; F55-F78 HydrophobicContact CB-CD2 4.14Å; F55-F78 HydrophobicContact CB-CE2 4.03Å; F55-L79 HydrophobicContact CB-CD2 4.18Å; F55-I82 HydrophobicContact CB-CD1 4.42Å; F55-I82 HydrophobicContact CD1-CD1 4.07Å; F55-I82 HydrophobicContact CG-CD1 4.44Å
56	N	91.4	Very high	87.2	Confident	84 Å²	84	41.4 Å²	41.4	45%	0.449	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	115.6	178.6	179.7	23	0	0	0	112.6	Q52 C58	Q52-N56 WeakPolarHBondContact O-CB 3.45Å; Q52-N56 PolarHBondContact O-N 3.04Å; N56-C58 VanDerWaalsContact C-N 3.33Å
57	N	92.4	Very high	88.2	Confident	83 Å²	83	37.3 Å²	37.3	44%	0.444	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.1	40.2	-171.1	-52.5	-82.8	0	0	0	112.9	K29 F55	K29-N57 HydrophobicContact CD-CB 4.4Å; K29-N57 WeakPolarHBondContact CD-O 3.5Å; K29-N57 WeakPolarHBondContact CE-O 3.04Å; K29-N57 VanDerWaalsContact CG-O 3.3Å; K29-N57 WeakPolarHBondContact CG-O 3.48Å; F55-N57 PolarHBondContact O-N 2.87Å
58	C	91	Very high	88.9	Confident	3 Å²	3	36.8 Å²	36.8	2%	0.02	18%	0.182	C	C	.	.			trans	-98.4	129.8	172	179.9	0	0	0	0	110.7	C31 F55 N56 T81 I82	C31-C58 HydrophobicContact CB-CB 3.64Å; C31-C58 WeakPolarHBondContact CB-SG 3.4Å; C31-C58 PolarHBondContact N-SG 3.48Å; C31-C58 VanDerWaalsContact N-SG 3.38Å; C31-C58 WeakPolarHBondContact SG-CB 3.13Å; C31-C58 CovalentContact SG-SG 2.03Å; C31-C58 PolarHBondContact SG-SG 3.08Å; F55-C58 WeakPolarHBondContact O-CB 3.43Å; F55-C58 PolarHBondContact O-N 3.48Å; N56-C58 VanDerWaalsContact C-N 3.33Å; C58-T81 PolarHBondContact N-OG1 2.03Å; C58-T81 CarbonylContact O-C 3.46Å; C58-T81 PolarHBondContact O-OG1 2.79Å; C58-T81 VanDerWaalsContact O-OG1 3.11Å; C58-I82 VanDerWaalsContact O-CA 3.28Å; C58-I82 WeakPolarHBondContact O-CA 3.18Å; C58-I82 VanDerWaalsContact O-CG1 3.26Å; C58-I82 WeakPolarHBondContact O-CG1 3.28Å; C58-I82 PolarHBondContact O-N 3.33Å
59	E	93.5	Very high	89.1	Confident	54 Å²	54	38.2 Å²	38.2	25%	0.252	19%	0.187	S	C	.	.	S	Bend	trans	-106.5	-31.1	178.1	-57.5	-177.3	105.3	0	0	112.4	K28 K29 T81 Q83 E84	K28-E59 WeakPolarHBondContact CA-OE2 3.46Å; K28-E59 HydrophobicContact CB-CB 4.21Å; K29-E59 HydrophobicContact CB-CG 4.49Å; K29-E59 PolarHBondContact N-OE2 3.44Å; K29-E59 PolarHBondContact O-N 2.71Å; E59-T81 WeakPolarHBondContact CA-O 3.49Å; E59-Q83 WeakPolarHBondContact O-CA 3.4Å; E59-Q83 PolarHBondContact O-N 2.78Å; E59-Q83 PolarHBondContact OE1-NE2 3.16Å; E59-E84 PolarHBondContact O-N 3.04Å
60	V	90.7	Very high	89.6	Confident	23 Å²	23	35.9 Å²	35.9	14%	0.139	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	113.2	-178.5	178.1	0	0	0	0	110.2	K28 K29 V30 C31 L62 E84	K28-V60 HydrophobicContact CB-CG2 3.79Å; K28-V60 HydrophobicContact CD-CG2 3.76Å; K28-V60 HydrophobicContact CG-CG2 4.45Å; K29-V60 PolarHBondContact O-N 3.47Å; K29-V60 VanDerWaalsContact O-N 3.14Å; V30-V60 CarbonylContact C-O 3.6Å; V30-V60 WeakPolarHBondContact CA-O 3.39Å; V30-V60 HydrophobicContact CG1-CB 4.15Å; V30-V60 HydrophobicContact CG1-CG1 4.35Å; C31-V60 PolarHBondContact N-O 2.76Å; V60-L62 HydrophobicContact CG1-CD2 4.43Å; V60-E84 WeakPolarHBondContact CA-O 3.5Å; V60-E84 HydrophobicContact CG1-CB 4.37Å; V60-E84 HydrophobicContact CG2-CB 4.2Å; V60-E84 HydrophobicContact CG2-CG 4.26Å
61	V	88.6	Confident	90.3	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	115.6	176.3	-172.2	0	0	0	0	109.3	F55 I82 E84 V85 A86	F55-V61 HydrophobicContact CD1-CG2 4.12Å; F55-V61 HydrophobicContact CE1-CG1 3.9Å; F55-V61 HydrophobicContact CE1-CG2 3.8Å; V61-I82 HydrophobicContact CG2-CD1 4.45Å; V61-I82 HydrophobicContact CG2-CG2 4.1Å; V61-E84 PolarHBondContact N-O 2.95Å; V61-V85 HydrophobicContact CB-CB 4.46Å; V61-V85 HydrophobicContact CB-CG1 4.35Å; V61-V85 HydrophobicContact CB-CG2 4.13Å; V61-V85 HydrophobicContact CG2-CG2 4.03Å; V61-A86 VanDerWaalsContact O-CB 3.32Å; V61-A86 WeakPolarHBondContact O-CB 3.43Å; V61-A86 PolarHBondContact O-N 3.42Å
62	L	80.3	Confident	90.5	Very high	39 Å²	39	39.9 Å²	39.9	20%	0.204	18%	0.184	C	C	.	.	S	Bend	trans	-75.8	-22.4	-177.3	-62.6	175.1	0	0	0	113.9	V30 C31 V60 A86 F287	V30-L62 HydrophobicContact CB-CD1 4.25Å; V30-L62 HydrophobicContact CB-CG 4.34Å; V30-L62 HydrophobicContact CG1-CD2 4.32Å; C31-L62 PolarHBondContact O-N 3.03Å; V60-L62 HydrophobicContact CG1-CD2 4.43Å; L62-A86 WeakPolarHBondContact O-CB 3.31Å; L62-F287 HydrophobicContact CD1-CE2 4.01Å; L62-F287 HydrophobicContact CD1-CZ 3.71Å
63	G	80.7	Confident	90.4	Very high	10 Å²	10	44.6 Å²	44.6	10%	0.103	21%	0.211	C	C	.	.	S	Bend	trans	-115.2	-132.8	172.4	0	0	0	0	0	111.3	Q32 G87	Q32-G63 VanDerWaalsContact O-CA 3.3Å; Q32-G63 WeakPolarHBondContact O-CA 3.32Å; Q32-G63 PolarHBondContact O-N 2.9Å; G63-G87 WeakPolarHBondContact O-CA 3.43Å; G63-G87 PolarHBondContact O-N 2.66Å
64	N	89	Confident	90.9	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.188	C	C	.	.	B	Isolated β-bridge	trans	-99.4	149.6	-176.7	-42.4	-63.9	0	0	0	111.8	G33 T34 S35 E66 G87 Y88	G33-N64 CarbonylContact C-O 3.45Å; G33-N64 WeakPolarHBondContact CA-O 3.23Å; T34-N64 PolarHBondContact N-O 3.01Å; T34-N64 WeakPolarHBondContact O-CB 3.18Å; T34-N64 PolarHBondContact O-ND2 3.43Å; S35-N64 PolarHBondContact OG-ND2 3.07Å; N64-E66 HydrophobicContact CB-CG 4.3Å; N64-G87 WeakPolarHBondContact OD1-CA 3.4Å; N64-Y88 CarbonylContact C-O 3.51Å; N64-Y88 VanDerWaalsContact CA-O 3.29Å; N64-Y88 WeakPolarHBondContact CA-O 3.48Å; N64-Y88 HydrophobicContact CB-CD1 4.19Å; N64-Y88 HydrophobicContact CB-CD2 4.04Å; N64-Y88 HydrophobicContact CB-CE1 4.08Å; N64-Y88 HydrophobicContact CB-CE2 3.92Å; N64-Y88 HydrophobicContact CB-CG 4.18Å; N64-Y88 WeakPolarHBondContact CB-O 3.39Å; N64-Y88 WeakPolarHBondContact OD1-CD1 3.41Å; N64-Y88 VanDerWaalsContact OD1-CE1 3.24Å; N64-Y88 WeakPolarHBondContact OD1-CE1 3.33Å; N64-Y88 PolarHBondContact OD1-N 3.45Å
65	L	96.7	Very high	91.4	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	102.1	169.9	172.9	60.7	0	0	0	108.5	F55 I67 I82 V85 Y88 V89 L90 L101	F55-L65 HydrophobicContact CD1-CD1 3.97Å; F55-L65 HydrophobicContact CD2-CD1 4.2Å; F55-L65 HydrophobicContact CE1-CD1 3.63Å; F55-L65 HydrophobicContact CE2-CD1 3.87Å; F55-L65 HydrophobicContact CG-CD1 4.25Å; F55-L65 HydrophobicContact CZ-CD1 3.58Å; L65-I67 HydrophobicContact CD1-CD1 4.18Å; L65-I67 HydrophobicContact CD1-CG1 4.04Å; L65-I67 HydrophobicContact CD2-CD1 4.39Å; L65-I67 HydrophobicContact CG-CD1 4.21Å; L65-I67 HydrophobicContact CG-CG1 4.32Å; L65-I82 HydrophobicContact CD1-CD1 3.86Å; L65-I82 HydrophobicContact CD2-CD1 3.98Å; L65-V85 HydrophobicContact CB-CG1 4.16Å; L65-V85 HydrophobicContact CB-CG2 3.93Å; L65-V85 HydrophobicContact CD2-CG2 4.03Å; L65-Y88 PolarHBondContact N-O 3.43Å; L65-V89 HydrophobicContact CB-CG2 4.27Å; L65-V89 HydrophobicContact CD2-CG1 4.25Å; L65-V89 HydrophobicContact CD2-CG2 4.36Å; L65-V89 HydrophobicContact CG-CG1 4.45Å; L65-V89 CarbonylContact O-C 3.18Å; L65-V89 WeakPolarHBondContact O-CA 3.26Å; L65-L90 PolarHBondContact O-N 3.05Å; L65-L101 HydrophobicContact CD2-CD1 4.13Å; L65-L101 HydrophobicContact CD2-CD2 3.81Å
66	E	95.9	Very high	91.6	Very high	4 Å²	4	39.8 Å²	39.8	2%	0.019	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	117.9	177.6	-54.8	168.3	142.7	0	0	109.2	T34 S35 N36 K37 L51 N64 Y88 L90	T34-E66 VanDerWaalsContact C-OE2 3.3Å; T34-E66 WeakPolarHBondContact CB-OE2 3.18Å; T34-E66 WeakPolarHBondContact OG1-CB 3.37Å; T34-E66 WeakPolarHBondContact OG1-CG 3.49Å; T34-E66 PolarHBondContact OG1-OE2 2.84Å; S35-E66 VanDerWaalsContact C-OE1 3.32Å; S35-E66 WeakPolarHBondContact CA-OE1 3.4Å; S35-E66 PolarHBondContact N-OE2 3.2Å; S35-E66 VanDerWaalsContact N-OE2 3.09Å; N36-E66 VanDerWaalsContact N-CD 3.33Å; N36-E66 PolarHBondContact N-OE1 3.48Å; N36-E66 VanDerWaalsContact N-OE1 3.09Å; N36-E66 PolarHBondContact N-OE2 3.36Å; K37-E66 WeakPolarHBondContact CA-OE1 3.4Å; K37-E66 PolarHBondContact N-OE1 3.07Å; L51-E66 VanDerWaalsContact CD1-O 3.24Å; L51-E66 WeakPolarHBondContact CD1-O 3.29Å; N64-E66 HydrophobicContact CB-CG 4.3Å; E66-Y88 HydrophobicContact CG-CE2 4.18Å; E66-Y88 PolarHBondContact OE1-OH 3.21Å; E66-Y88 VanDerWaalsContact OE1-OH 3.11Å; E66-L90 WeakPolarHBondContact CA-O 3.37Å; E66-L90 HydrophobicContact CG-CB 4.27Å; E66-L90 HydrophobicContact CG-CD2 4.36Å
67	I	97.3	Very high	91.7	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	101.1	176.4	-57.8	163.5	0	0	0	106.1	L51 L65 V70 L76 L79 L90 I91 A92 N94 I99 L101	L51-I67 HydrophobicContact CD1-CG1 4.49Å; L51-I67 HydrophobicContact CD2-CG2 4.35Å; L65-I67 HydrophobicContact CD1-CD1 4.18Å; L65-I67 HydrophobicContact CD1-CG1 4.04Å; L65-I67 HydrophobicContact CD2-CD1 4.39Å; L65-I67 HydrophobicContact CG-CD1 4.21Å; L65-I67 HydrophobicContact CG-CG1 4.32Å; I67-V70 HydrophobicContact CG2-CG2 3.99Å; I67-L76 HydrophobicContact CG2-CD1 4.46Å; I67-L79 HydrophobicContact CD1-CD1 3.55Å; I67-L79 HydrophobicContact CG1-CD1 4.31Å; I67-L90 PolarHBondContact N-O 3.02Å; I67-I91 HydrophobicContact CB-CG1 4.46Å; I67-I91 HydrophobicContact CD1-CG1 4.35Å; I67-I91 WeakPolarHBondContact O-CA 3.44Å; I67-A92 PolarHBondContact O-N 2.98Å; I67-A92 VanDerWaalsContact O-N 3.08Å; I67-N94 PolarHBondContact O-ND2 2.99Å; I67-I99 HydrophobicContact CD1-CG2 3.9Å; I67-I99 HydrophobicContact CG2-CD1 4.22Å; I67-L101 HydrophobicContact CD1-CD1 3.99Å
68	T	94.6	Very high	91.8	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.006	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	154.7	-176.9	57.7	0	0	0	0	112.2	L38 H47 V70 L90 A92 N94	L38-T68 HydrophobicContact CD2-CG2 4.46Å; H47-T68 PolarHBondContact CD2-O 3Å; H47-T68 WeakPolarHBondContact NE2-CA 3.44Å; H47-T68 VanDerWaalsContact NE2-CB 3.29Å; H47-T68 WeakPolarHBondContact NE2-CB 3.48Å; H47-T68 PolarHBondContact NE2-N 3.25Å; H47-T68 PolarHBondContact NE2-O 3.45Å; H47-T68 PolarHBondContact NE2-OG1 3.16Å; T68-V70 PolarHBondContact O-N 2.96Å; T68-L90 HydrophobicContact CG2-CD2 4.33Å; T68-L90 HydrophobicContact CG2-CG 4.44Å; T68-A92 WeakPolarHBondContact CA-O 3.27Å; T68-A92 WeakPolarHBondContact CB-O 3.45Å; T68-A92 HydrophobicContact CG2-CB 4.15Å; T68-A92 WeakPolarHBondContact CG2-O 2.99Å; T68-N94 WeakPolarHBondContact CA-OD1 3.03Å
69	Y	93.3	Very high	92.1	Very high	47 Å²	47	35 Å²	35	18%	0.184	18%	0.175	C	C	.	.	S	Bend	trans	58.7	13.3	174.9	-58.9	-73.8	0	0	0	116.4	L38 Q40 F44 H47 Q71 A92 L93 N94	L38-Y69 PolarHBondContact O-OH 3.23Å; Q40-Y69 HydrophobicContact CB-CD2 3.85Å; Q40-Y69 HydrophobicContact CB-CE2 3.77Å; Q40-Y69 HydrophobicContact CB-CG 4.35Å; Q40-Y69 HydrophobicContact CG-CD2 4.21Å; Q40-Y69 HydrophobicContact CG-CG 4.32Å; F44-Y69 HydrophobicContact CE1-CD1 4.06Å; F44-Y69 HydrophobicContact CE1-CG 4.42Å; H47-Y69 AromaticContact NE2-CD2 3.94Å; Y69-Q71 PolarHBondContact O-N 3.39Å; Y69-A92 PolarHBondContact N-O 3.09Å; Y69-L93 WeakPolarHBondContact CA-O 3.25Å; Y69-L93 HydrophobicContact CD1-CB 4.18Å; Y69-L93 HydrophobicContact CE1-CB 4.07Å; Y69-L93 HydrophobicContact CE1-CD1 3.66Å; Y69-L93 HydrophobicContact CE2-CD1 4.42Å; Y69-L93 WeakPolarHBondContact OH-CD1 3.5Å; Y69-N94 PolarHBondContact N-OD1 3.02Å
70	V	95.3	Very high	92.1	Very high	2 Å²	2	36.3 Å²	36.3	1%	0.012	18%	0.18	C	C	.	.	P	Polyproline II helix	trans	-72.1	122.2	179.2	-174	0	0	0	0	109.9	F48 L51 I67 T68 Y74 L76 N94 T95 V96	F48-V70 HydrophobicContact CD2-CG1 4.26Å; L51-V70 HydrophobicContact CD2-CG2 3.82Å; I67-V70 HydrophobicContact CG2-CG2 3.99Å; T68-V70 PolarHBondContact O-N 2.96Å; V70-Y74 HydrophobicContact CG1-CG 4.49Å; V70-L76 HydrophobicContact CG1-CD1 4.11Å; V70-L76 HydrophobicContact CG1-CD2 4.23Å; V70-L76 HydrophobicContact CG1-CG 4.25Å; V70-L76 HydrophobicContact CG2-CD2 4.4Å; V70-N94 HydrophobicContact CB-CB 4.49Å; V70-N94 WeakPolarHBondContact CB-OD1 3.04Å; V70-N94 WeakPolarHBondContact CG2-OD1 3.39Å; V70-N94 PolarHBondContact N-OD1 3.25Å; V70-N94 WeakPolarHBondContact O-CA 3.34Å; V70-T95 PolarHBondContact O-N 2.66Å; V70-V96 HydrophobicContact CB-CG1 4.4Å; V70-V96 HydrophobicContact CG1-CB 4.24Å; V70-V96 HydrophobicContact CG1-CG1 4.26Å; V70-V96 PolarHBondContact O-N 3.39Å
71	Q	93.4	Very high	92.4	Very high	51 Å²	51	37.2 Å²	37.2	24%	0.238	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-85.7	170.1	-176.1	-60.5	-60.6	-20.5	0	0	112.7	F44 Y69 Y74 T95	F44-Q71 HydrophobicContact CB-CG 3.98Å; F44-Q71 HydrophobicContact CD1-CG 4.27Å; F44-Q71 HydrophobicContact CD2-CG 4.07Å; F44-Q71 HydrophobicContact CG-CG 3.85Å; Y69-Q71 PolarHBondContact O-N 3.39Å; Q71-Y74 HydrophobicContact CB-CD2 3.88Å; Q71-Y74 HydrophobicContact CB-CE2 3.91Å; Q71-T95 WeakPolarHBondContact CA-OG1 3.46Å; Q71-T95 PolarHBondContact OE1-OG1 3.41Å
72	R	90.2	Very high	92.8	Very high	97 Å²	97	37.2 Å²	37.2	37%	0.366	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	152.2	171.5	-71.7	-174.8	-177.1	129.6	19.1	112.7	Y74 T95 D126 T130	R72-Y74 WeakPolarHBondContact O-CD2 3.29Å; R72-Y74 PolarHBondContact O-N 3.38Å; R72-Y74 VanDerWaalsContact O-N 3.12Å; R72-T95 WeakPolarHBondContact CG-O 3.4Å; R72-T95 PolarHBondContact N-OG1 3.35Å; R72-T95 VanDerWaalsContact N-OG1 3.16Å; R72-T95 PolarHBondContact NE-O 2.84Å; R72-D126 IonicContact CZ-OD2 3.3Å; R72-D126 VanDerWaalsContact CZ-OD2 3.3Å; R72-D126 IonicContact NH1-OD2 2.79Å; R72-D126 PolarHBondContact NH1-OD2 3.23Å; R72-D126 IonicContact NH2-OD1 3.58Å; R72-D126 PolarHBondContact NH2-OD1 2.92Å; R72-D126 IonicContact NH2-OD2 2.92Å; R72-D126 PolarHBondContact NH2-OD2 2.77Å; R72-T130 PolarHBondContact NH2-O 3.13Å; R72-T130 PolarHBondContact NH2-OG1 2.03Å
73	N	88	Confident	93.5	Very high	168 Å²	168	37.1 Å²	37.1	90%	0.898	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	66	0.2	176.6	-48	-20.2	0	0	0	115.8
74	Y	91.6	Very high	94.2	Very high	67 Å²	67	37.5 Å²	37.5	26%	0.263	18%	0.183	S	C	.	.			trans	-76.1	134	170.3	-81.1	-91.6	0	0	0	111.4	F48 V70 Q71 R72	F48-Y74 HydrophobicContact CB-CD1 3.93Å; F48-Y74 HydrophobicContact CB-CE1 3.81Å; F48-Y74 AromaticContact CD1-CD1 3.46Å; F48-Y74 HydrophobicContact CD1-CD1 3.46Å; F48-Y74 VanDerWaalsContact CD1-CD1 3.46Å; F48-Y74 AromaticContact CD1-CE1 3.61Å; F48-Y74 HydrophobicContact CD1-CE1 3.61Å; F48-Y74 AromaticContact CD2-CD1 3.43Å; F48-Y74 HydrophobicContact CD2-CD1 3.43Å; F48-Y74 VanDerWaalsContact CD2-CD1 3.43Å; F48-Y74 HydrophobicContact CD2-CE1 4.2Å; F48-Y74 HydrophobicContact CD2-CG 4.01Å; F48-Y74 AromaticContact CE1-CD1 3.77Å; F48-Y74 HydrophobicContact CE1-CD1 3.77Å; F48-Y74 HydrophobicContact CE1-CE1 4.24Å; F48-Y74 AromaticContact CE2-CD1 3.72Å; F48-Y74 HydrophobicContact CE2-CD1 3.72Å; F48-Y74 HydrophobicContact CE2-CG 4.25Å; F48-Y74 AromaticContact CG-CD1 3.29Å; F48-Y74 HydrophobicContact CG-CD1 3.29Å; F48-Y74 AromaticContact CG-CE1 3.59Å; F48-Y74 HydrophobicContact CG-CE1 3.59Å; F48-Y74 HydrophobicContact CG-CG 4.24Å; F48-Y74 AromaticContact CZ-CD1 3.88Å; F48-Y74 HydrophobicContact CZ-CD1 3.88Å; V70-Y74 HydrophobicContact CG1-CG 4.49Å; Q71-Y74 HydrophobicContact CB-CD2 3.88Å; Q71-Y74 HydrophobicContact CB-CE2 3.91Å; R72-Y74 WeakPolarHBondContact O-CD2 3.29Å; R72-Y74 PolarHBondContact O-N 3.38Å; R72-Y74 VanDerWaalsContact O-N 3.12Å
75	D	93.1	Very high	94.6	Very high	98 Å²	98	37.5 Å²	37.5	52%	0.524	18%	0.183	S	C	.	.			trans	-84.9	120.5	178.5	179.7	30.4	0	0	0	112.2	F48 S77 F78	F48-D75 WeakPolarHBondContact CE2-O 3.37Å; F48-D75 VanDerWaalsContact CZ-O 3.28Å; F48-D75 WeakPolarHBondContact CZ-O 3.41Å; D75-S77 VanDerWaalsContact CG-OG 3.3Å; D75-S77 WeakPolarHBondContact OD1-CB 3.37Å; D75-S77 PolarHBondContact OD1-N 3.22Å; D75-S77 PolarHBondContact OD1-OG 2.74Å; D75-S77 VanDerWaalsContact OD2-CB 3.3Å; D75-S77 WeakPolarHBondContact OD2-CB 3.45Å; D75-S77 PolarHBondContact OD2-OG 3.17Å; D75-F78 WeakPolarHBondContact O-CE1 3.45Å
76	L	95.6	Very high	94.2	Very high	4 Å²	4	38 Å²	38	2%	0.021	19%	0.187	C	C	.	.			trans	-103.9	15.6	175.2	-69.5	177.6	0	0	0	113.3	F48 L51 I67 V70 F78 L79 V96 I99 P100	F48-L76 HydrophobicContact CD2-CD2 4.44Å; F48-L76 HydrophobicContact CE2-CD2 3.98Å; L51-L76 HydrophobicContact CD2-CD2 3.89Å; I67-L76 HydrophobicContact CG2-CD1 4.46Å; V70-L76 HydrophobicContact CG1-CD1 4.11Å; V70-L76 HydrophobicContact CG1-CD2 4.23Å; V70-L76 HydrophobicContact CG1-CG 4.25Å; V70-L76 HydrophobicContact CG2-CD2 4.4Å; L76-F78 HydrophobicContact CD2-CE1 3.95Å; L76-F78 HydrophobicContact CD2-CZ 3.73Å; L76-F78 PolarHBondContact O-N 3.41Å; L76-F78 VanDerWaalsContact O-N 3.07Å; L76-L79 HydrophobicContact CB-CD1 3.99Å; L76-L79 HydrophobicContact CB-CG 4.38Å; L76-L79 HydrophobicContact CD1-CD1 4.26Å; L76-L79 HydrophobicContact CD2-CD1 4.16Å; L76-L79 HydrophobicContact CG-CD1 4.39Å; L76-L79 WeakPolarHBondContact O-CB 3.48Å; L76-L79 WeakPolarHBondContact O-CG 3.44Å; L76-L79 PolarHBondContact O-N 2.86Å; L76-V96 HydrophobicContact CD1-CG1 3.98Å; L76-I99 HydrophobicContact CD1-CG1 3.8Å; L76-P100 HydrophobicContact CB-CG 4.35Å; L76-P100 VanDerWaalsContact O-CG 3.3Å; L76-P100 WeakPolarHBondContact O-CG 3.38Å
77	S	94.4	Very high	93.8	Very high	54 Å²	54	37.8 Å²	37.8	38%	0.378	19%	0.187	S	C	.	.	G	3₁₀ helix	trans	-49.7	-34.4	-179.2	64.3	0	0	0	0	114.4	D75 L79 K80	D75-S77 VanDerWaalsContact CG-OG 3.3Å; D75-S77 WeakPolarHBondContact OD1-CB 3.37Å; D75-S77 PolarHBondContact OD1-N 3.22Å; D75-S77 PolarHBondContact OD1-OG 2.74Å; D75-S77 VanDerWaalsContact OD2-CB 3.3Å; D75-S77 WeakPolarHBondContact OD2-CB 3.45Å; D75-S77 PolarHBondContact OD2-OG 3.17Å; S77-L79 PolarHBondContact O-N 3.36Å; S77-K80 VanDerWaalsContact O-CB 3.27Å; S77-K80 WeakPolarHBondContact O-CB 3.39Å; S77-K80 WeakPolarHBondContact O-CG 2.96Å; S77-K80 PolarHBondContact O-N 3.37Å
78	F	94.8	Very high	93.8	Very high	17 Å²	17	38.1 Å²	38.1	8%	0.075	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-58.8	-28.1	178.7	60.9	-91.8	0	0	0	113.7	F48 L51 Q52 F55 D75 L76 K80 T81	F48-F78 HydrophobicContact CE2-CE1 4.05Å; F48-F78 HydrophobicContact CE2-CZ 4.47Å; F48-F78 HydrophobicContact CZ-CE1 4.07Å; L51-F78 HydrophobicContact CD2-CZ 4.26Å; L51-F78 HydrophobicContact CG-CE2 4.49Å; L51-F78 HydrophobicContact CG-CZ 4.31Å; Q52-F78 HydrophobicContact CB-CE1 4.05Å; Q52-F78 HydrophobicContact CB-CZ 4.02Å; Q52-F78 HydrophobicContact CG-CD1 3.99Å; Q52-F78 HydrophobicContact CG-CE1 3.89Å; Q52-F78 HydrophobicContact CG-CG 4.44Å; Q52-F78 HydrophobicContact CG-CZ 4.27Å; F55-F78 HydrophobicContact CB-CD2 4.14Å; F55-F78 HydrophobicContact CB-CE2 4.03Å; D75-F78 WeakPolarHBondContact O-CE1 3.45Å; L76-F78 HydrophobicContact CD2-CE1 3.95Å; L76-F78 HydrophobicContact CD2-CZ 3.73Å; L76-F78 PolarHBondContact O-N 3.41Å; L76-F78 VanDerWaalsContact O-N 3.07Å; F78-K80 PolarHBondContact O-N 3Å; F78-T81 PolarHBondContact O-N 2.77Å; F78-T81 PolarHBondContact O-OG1 3.26Å
79	L	96.4	Very high	94	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-63.9	-18.2	176.6	-62.2	-177.7	0	0	0	113.3	F55 I67 L76 S77 T81 I82 I99 L101	F55-L79 HydrophobicContact CB-CD2 4.18Å; I67-L79 HydrophobicContact CD1-CD1 3.55Å; I67-L79 HydrophobicContact CG1-CD1 4.31Å; L76-L79 HydrophobicContact CB-CD1 3.99Å; L76-L79 HydrophobicContact CB-CG 4.38Å; L76-L79 HydrophobicContact CD1-CD1 4.26Å; L76-L79 HydrophobicContact CD2-CD1 4.16Å; L76-L79 HydrophobicContact CG-CD1 4.39Å; L76-L79 WeakPolarHBondContact O-CB 3.48Å; L76-L79 WeakPolarHBondContact O-CG 3.44Å; L76-L79 PolarHBondContact O-N 2.86Å; S77-L79 PolarHBondContact O-N 3.36Å; L79-T81 PolarHBondContact O-N 2.9Å; L79-T81 VanDerWaalsContact O-N 3.09Å; L79-I82 HydrophobicContact CD2-CD1 3.77Å; L79-I82 PolarHBondContact O-N 2.78Å; L79-I82 VanDerWaalsContact O-N 3.09Å; L79-I99 HydrophobicContact CD1-CG2 4.03Å; L79-L101 HydrophobicContact CB-CD2 3.98Å; L79-L101 HydrophobicContact CD1-CD2 4.48Å
80	K	95.2	Very high	94.2	Very high	80 Å²	80	35.9 Å²	35.9	35%	0.348	18%	0.179	S	C	.	.	G	3₁₀ helix	trans	-60.9	-16	175.2	-69.1	-173.4	176.9	-144.9	0	113.7	S77 F78 P100 E102 N103	S77-K80 VanDerWaalsContact O-CB 3.27Å; S77-K80 WeakPolarHBondContact O-CB 3.39Å; S77-K80 WeakPolarHBondContact O-CG 2.96Å; S77-K80 PolarHBondContact O-N 3.37Å; F78-K80 PolarHBondContact O-N 3Å; K80-P100 HydrophobicContact CD-CB 4.45Å; K80-P100 HydrophobicContact CG-CB 3.9Å; K80-P100 HydrophobicContact CG-CG 4.19Å; K80-P100 WeakPolarHBondContact CG-O 3.34Å; K80-E102 VanDerWaalsContact CE-OE1 3.27Å; K80-E102 WeakPolarHBondContact CE-OE1 3.3Å; K80-E102 VanDerWaalsContact NZ-CD 3.31Å; K80-E102 IonicContact NZ-OE1 3.72Å; K80-E102 PolarHBondContact NZ-OE1 3.05Å; K80-E102 IonicContact NZ-OE2 3Å; K80-E102 PolarHBondContact NZ-OE2 3.42Å; K80-N103 WeakPolarHBondContact O-CB 3.07Å; K80-N103 PolarHBondContact O-ND2 3.47Å
81	T	96.3	Very high	94.4	Very high	43 Å²	43	35.8 Å²	35.8	26%	0.264	18%	0.178	S	C	.	.	G	3₁₀ helix	trans	-78.4	-21.9	176.2	52.9	0	0	0	0	113.3	C58 E59 F78 L79 Q83	C58-T81 PolarHBondContact N-OG1 2.03Å; C58-T81 CarbonylContact O-C 3.46Å; C58-T81 PolarHBondContact O-OG1 2.79Å; C58-T81 VanDerWaalsContact O-OG1 3.11Å; E59-T81 WeakPolarHBondContact CA-O 3.49Å; F78-T81 PolarHBondContact O-N 2.77Å; F78-T81 PolarHBondContact O-OG1 3.26Å; L79-T81 PolarHBondContact O-N 2.9Å; L79-T81 VanDerWaalsContact O-N 3.09Å; T81-Q83 PolarHBondContact O-N 2.93Å
82	I	96.9	Very high	94.5	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.167	C	C	.	.			trans	-71.3	128.2	-174.4	-57.6	174	0	0	0	111	F55 C58 V61 L65 L79 V85 L101 N103 L104	F55-I82 HydrophobicContact CB-CD1 4.42Å; F55-I82 HydrophobicContact CD1-CD1 4.07Å; F55-I82 HydrophobicContact CG-CD1 4.44Å; C58-I82 VanDerWaalsContact O-CA 3.28Å; C58-I82 WeakPolarHBondContact O-CA 3.18Å; C58-I82 VanDerWaalsContact O-CG1 3.26Å; C58-I82 WeakPolarHBondContact O-CG1 3.28Å; C58-I82 PolarHBondContact O-N 3.33Å; V61-I82 HydrophobicContact CG2-CD1 4.45Å; V61-I82 HydrophobicContact CG2-CG2 4.1Å; L65-I82 HydrophobicContact CD1-CD1 3.86Å; L65-I82 HydrophobicContact CD2-CD1 3.98Å; L79-I82 HydrophobicContact CD2-CD1 3.77Å; L79-I82 PolarHBondContact O-N 2.78Å; L79-I82 VanDerWaalsContact O-N 3.09Å; I82-V85 HydrophobicContact CG2-CG2 4.11Å; I82-L101 HydrophobicContact CB-CD2 4.4Å; I82-L101 HydrophobicContact CD1-CD2 4.21Å; I82-N103 CarbonylContact O-C 3.35Å; I82-L104 HydrophobicContact CG2-CD1 4.22Å; I82-L104 WeakPolarHBondContact O-CA 3.39Å; I82-L104 PolarHBondContact O-N 3.03Å; I82-L104 VanDerWaalsContact O-N 3.12Å
83	Q	95.5	Very high	94.8	Very high	37 Å²	37	31.8 Å²	31.8	17%	0.173	17%	0.166	C	C	.	.			trans	-117.5	-35.1	178.8	-59.9	176.1	32.3	0	0	112.8	E59 T81 N103 Q105 I106	E59-Q83 WeakPolarHBondContact O-CA 3.4Å; E59-Q83 PolarHBondContact O-N 2.78Å; E59-Q83 PolarHBondContact OE1-NE2 3.16Å; T81-Q83 PolarHBondContact O-N 2.93Å; Q83-N103 WeakPolarHBondContact CA-O 3.26Å; Q83-Q105 PolarHBondContact O-N 2.95Å; Q83-I106 PolarHBondContact O-N 2.91Å
84	E	95.1	Very high	95.2	Very high	17 Å²	17	23.8 Å²	23.8	8%	0.079	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	136.5	-175.9	-48.4	-171.3	-146.2	0	0	111.5	K28 E59 V60 V61 I106 R108 V250	K28-E84 IonicContact NZ-OE1 2.99Å; K28-E84 PolarHBondContact NZ-OE1 3.25Å; E59-E84 PolarHBondContact O-N 3.04Å; V60-E84 WeakPolarHBondContact CA-O 3.5Å; V60-E84 HydrophobicContact CG1-CB 4.37Å; V60-E84 HydrophobicContact CG2-CB 4.2Å; V60-E84 HydrophobicContact CG2-CG 4.26Å; V61-E84 PolarHBondContact N-O 2.95Å; E84-I106 HydrophobicContact CB-CG2 3.68Å; E84-I106 HydrophobicContact CG-CG2 3.68Å; E84-R108 IonicContact OE2-CZ 2.69Å; E84-R108 IonicContact OE2-NE 2.76Å; E84-R108 IonicContact OE2-NH2 2.94Å; E84-R108 PolarHBondContact OE2-NH2 2.03Å; E84-V250 HydrophobicContact CG-CG1 4.48Å; E84-V250 WeakPolarHBondContact OE2-CG1 3.39Å
85	V	96.2	Very high	95.3	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	125.5	170.3	178.7	0	0	0	0	109.2	V61 L65 I82 V89 L104 I106 I107 R108	V61-V85 HydrophobicContact CB-CB 4.46Å; V61-V85 HydrophobicContact CB-CG1 4.35Å; V61-V85 HydrophobicContact CB-CG2 4.13Å; V61-V85 HydrophobicContact CG2-CG2 4.03Å; L65-V85 HydrophobicContact CB-CG1 4.16Å; L65-V85 HydrophobicContact CB-CG2 3.93Å; L65-V85 HydrophobicContact CD2-CG2 4.03Å; I82-V85 HydrophobicContact CG2-CG2 4.11Å; V85-V89 HydrophobicContact CB-CG2 4.1Å; V85-V89 HydrophobicContact CG1-CG2 4Å; V85-V89 HydrophobicContact CG2-CG2 3.99Å; V85-L104 HydrophobicContact CG2-CD1 3.86Å; V85-I106 PolarHBondContact N-O 2.9Å; V85-I106 VanDerWaalsContact N-O 3.12Å; V85-I107 CarbonylContact O-C 3.53Å; V85-I107 WeakPolarHBondContact O-CA 3.47Å; V85-R108 PolarHBondContact O-N 2.99Å
86	A	88.6	Confident	95.4	Very high	10 Å²	10	17.1 Å²	17.1	8%	0.083	9%	0.093	C	C	.	.	S	Bend	trans	-82	-39.6	-176.7	0	0	0	0	0	113.1	V61 L62 G109 N110	V61-A86 VanDerWaalsContact O-CB 3.32Å; V61-A86 WeakPolarHBondContact O-CB 3.43Å; V61-A86 PolarHBondContact O-N 3.42Å; L62-A86 WeakPolarHBondContact O-CB 3.31Å; A86-G109 PolarHBondContact O-N 2.71Å; A86-N110 VanDerWaalsContact O-CB 3.24Å; A86-N110 WeakPolarHBondContact O-CB 3.47Å; A86-N110 VanDerWaalsContact O-CG 3.27Å; A86-N110 PolarHBondContact O-N 2.64Å
87	G	88.9	Confident	95.3	Very high	1 Å²	1	21.9 Å²	21.9	1%	0.01	12%	0.115	C	C	.	.	S	Bend	trans	-84.6	-133.9	173.9	0	0	0	0	0	112.5	G63 N64 I107 G109	G63-G87 WeakPolarHBondContact O-CA 3.43Å; G63-G87 PolarHBondContact O-N 2.66Å; N64-G87 WeakPolarHBondContact OD1-CA 3.4Å; G87-I107 VanDerWaalsContact O-CG2 3.3Å; G87-I107 WeakPolarHBondContact O-CG2 3.23Å; G87-G109 PolarHBondContact O-N 2.8Å
88	Y	97	Very high	95.3	Very high	7 Å²	7	23.7 Å²	23.7	3%	0.027	11%	0.114	C	C	.	.			trans	-102.2	166.3	173.3	61.2	-97.1	0	0	0	113.1	N64 L65 E66 L90 M111 Y112 Y113 A118	N64-Y88 CarbonylContact C-O 3.51Å; N64-Y88 VanDerWaalsContact CA-O 3.29Å; N64-Y88 WeakPolarHBondContact CA-O 3.48Å; N64-Y88 HydrophobicContact CB-CD1 4.19Å; N64-Y88 HydrophobicContact CB-CD2 4.04Å; N64-Y88 HydrophobicContact CB-CE1 4.08Å; N64-Y88 HydrophobicContact CB-CE2 3.92Å; N64-Y88 HydrophobicContact CB-CG 4.18Å; N64-Y88 WeakPolarHBondContact CB-O 3.39Å; N64-Y88 WeakPolarHBondContact OD1-CD1 3.41Å; N64-Y88 VanDerWaalsContact OD1-CE1 3.24Å; N64-Y88 WeakPolarHBondContact OD1-CE1 3.33Å; N64-Y88 PolarHBondContact OD1-N 3.45Å; L65-Y88 PolarHBondContact N-O 3.43Å; E66-Y88 HydrophobicContact CG-CE2 4.18Å; E66-Y88 PolarHBondContact OE1-OH 3.21Å; E66-Y88 VanDerWaalsContact OE1-OH 3.11Å; Y88-L90 HydrophobicContact CD2-CB 4.02Å; Y88-L90 HydrophobicContact CE2-CB 3.89Å; Y88-L90 HydrophobicContact CE2-CD2 4.5Å; Y88-M111 HydrophobicContact CD1-CB 4.06Å; Y88-M111 HydrophobicContact CE1-CB 4.42Å; Y88-Y112 VanDerWaalsContact CD1-C 3.45Å; Y88-Y113 HydrophobicContact CE2-CD2 4Å; Y88-Y113 HydrophobicContact CE2-CG 4.46Å; Y88-A118 CarbonylContact C-O 3.59Å; Y88-A118 VanDerWaalsContact CA-O 3.31Å; Y88-A118 WeakPolarHBondContact CA-O 3.25Å; Y88-A118 WeakPolarHBondContact CB-O 3.31Å
89	V	98.4	Very high	95.4	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	122.9	168.6	-179.8	0	0	0	0	109.1	L65 V85 I91 L104 I107 A118 L119 A120	L65-V89 HydrophobicContact CB-CG2 4.27Å; L65-V89 HydrophobicContact CD2-CG1 4.25Å; L65-V89 HydrophobicContact CD2-CG2 4.36Å; L65-V89 HydrophobicContact CG-CG1 4.45Å; L65-V89 CarbonylContact O-C 3.18Å; L65-V89 WeakPolarHBondContact O-CA 3.26Å; V85-V89 HydrophobicContact CB-CG2 4.1Å; V85-V89 HydrophobicContact CG1-CG2 4Å; V85-V89 HydrophobicContact CG2-CG2 3.99Å; V89-I91 HydrophobicContact CG1-CD1 4.2Å; V89-I91 HydrophobicContact CG1-CG1 4.09Å; V89-L104 HydrophobicContact CG2-CD2 4.47Å; V89-I107 HydrophobicContact CB-CD1 4.04Å; V89-I107 HydrophobicContact CG2-CD1 3.52Å; V89-I107 HydrophobicContact CG2-CG1 3.78Å; V89-I107 HydrophobicContact CG2-CG2 4.25Å; V89-A118 PolarHBondContact N-O 3.14Å; V89-L119 HydrophobicContact CB-CD1 3.81Å; V89-L119 HydrophobicContact CG1-CD1 3.77Å; V89-L119 WeakPolarHBondContact O-CA 3.42Å; V89-A120 PolarHBondContact O-N 2.72Å
90	L	98	Very high	95.4	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	125.6	176.3	174.5	65.7	0	0	0	109.3	K37 L38 L65 E66 I67 T68 Y88 A92 Y113 A120 L122	K37-L90 WeakPolarHBondContact O-CD2 3.44Å; L38-L90 HydrophobicContact CD2-CD2 4.3Å; L65-L90 PolarHBondContact O-N 3.05Å; E66-L90 WeakPolarHBondContact CA-O 3.37Å; E66-L90 HydrophobicContact CG-CB 4.27Å; E66-L90 HydrophobicContact CG-CD2 4.36Å; I67-L90 PolarHBondContact N-O 3.02Å; T68-L90 HydrophobicContact CG2-CD2 4.33Å; T68-L90 HydrophobicContact CG2-CG 4.44Å; Y88-L90 HydrophobicContact CD2-CB 4.02Å; Y88-L90 HydrophobicContact CE2-CB 3.89Å; Y88-L90 HydrophobicContact CE2-CD2 4.5Å; L90-A92 HydrophobicContact CD1-CB 4.05Å; L90-A92 HydrophobicContact CG-CB 4.41Å; L90-Y113 HydrophobicContact CD1-CD1 4.4Å; L90-Y113 HydrophobicContact CD1-CD2 3.95Å; L90-Y113 HydrophobicContact CD1-CE1 4.29Å; L90-Y113 HydrophobicContact CD1-CE2 3.83Å; L90-Y113 HydrophobicContact CD1-CG 4.25Å; L90-Y113 HydrophobicContact CD2-CD2 3.86Å; L90-Y113 HydrophobicContact CD2-CE2 3.66Å; L90-Y113 HydrophobicContact CG-CD2 4.37Å; L90-Y113 HydrophobicContact CG-CE2 4.36Å; L90-A120 WeakPolarHBondContact CA-O 3.44Å; L90-A120 HydrophobicContact CD1-CB 4.01Å; L90-L122 HydrophobicContact CD1-CD1 4.24Å
91	I	98.3	Very high	95.5	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	98.2	177.7	-57.5	-179.2	0	0	0	107.6	I67 V89 I99 L101 A120 V121 L122 N124 L132 L135 M137	I67-I91 HydrophobicContact CB-CG1 4.46Å; I67-I91 HydrophobicContact CD1-CG1 4.35Å; I67-I91 WeakPolarHBondContact O-CA 3.44Å; V89-I91 HydrophobicContact CG1-CD1 4.2Å; V89-I91 HydrophobicContact CG1-CG1 4.09Å; I91-I99 HydrophobicContact CD1-CG2 4.42Å; I91-I99 HydrophobicContact CG2-CD1 3.45Å; I91-I99 VanDerWaalsContact CG2-CD1 3.45Å; I91-L101 HydrophobicContact CD1-CD1 4.03Å; I91-A120 PolarHBondContact N-O 2.9Å; I91-V121 HydrophobicContact CB-CG1 4.28Å; I91-V121 HydrophobicContact CB-CG2 4.27Å; I91-V121 HydrophobicContact CD1-CG2 4.49Å; I91-V121 HydrophobicContact CG2-CG1 4.34Å; I91-V121 CarbonylContact O-C 3.5Å; I91-V121 VanDerWaalsContact O-CA 3.28Å; I91-V121 WeakPolarHBondContact O-CA 3.36Å; I91-L122 PolarHBondContact O-N 2.92Å; I91-N124 PolarHBondContact O-ND2 3.29Å; I91-L132 HydrophobicContact CG2-CD2 3.95Å; I91-L135 HydrophobicContact CD1-CD1 3.72Å; I91-L135 HydrophobicContact CD1-CD2 4.3Å; I91-M137 HydrophobicContact CD1-CE 3.89Å
92	A	96.8	Very high	95.5	Very high	1 Å²	1	18 Å²	18	1%	0.008	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	145.3	-171.5	0	0	0	0	0	115.1	L38 I67 T68 Y69 L90 N94 L122 N124	L38-A92 HydrophobicContact CD2-CB 3.76Å; I67-A92 PolarHBondContact O-N 2.98Å; I67-A92 VanDerWaalsContact O-N 3.08Å; T68-A92 WeakPolarHBondContact CA-O 3.27Å; T68-A92 WeakPolarHBondContact CB-O 3.45Å; T68-A92 HydrophobicContact CG2-CB 4.15Å; T68-A92 WeakPolarHBondContact CG2-O 2.99Å; Y69-A92 PolarHBondContact N-O 3.09Å; L90-A92 HydrophobicContact CD1-CB 4.05Å; L90-A92 HydrophobicContact CG-CB 4.41Å; A92-N94 PolarHBondContact N-ND2 3.1Å; A92-N94 PolarHBondContact O-N 2.83Å; A92-N94 PolarHBondContact O-ND2 2.7Å; A92-L122 WeakPolarHBondContact CA-O 3.17Å; A92-L122 HydrophobicContact CB-CB 4.03Å; A92-L122 WeakPolarHBondContact CB-O 3.09Å; A92-N124 WeakPolarHBondContact CA-OD1 3.37Å; A92-N124 PolarHBondContact N-OD1 3.48Å
93	L	95.2	Very high	95.5	Very high	63 Å²	63	21.1 Å²	21.1	33%	0.33	10%	0.103	S	C	.	.	S	Bend	trans	59.6	28.5	174.7	-50.9	173.2	0	0	0	114.2	L38 Y69 L122 S123 N124	L38-L93 HydrophobicContact CD2-CD1 4.38Å; Y69-L93 WeakPolarHBondContact CA-O 3.25Å; Y69-L93 HydrophobicContact CD1-CB 4.18Å; Y69-L93 HydrophobicContact CE1-CB 4.07Å; Y69-L93 HydrophobicContact CE1-CD1 3.66Å; Y69-L93 HydrophobicContact CE2-CD1 4.42Å; Y69-L93 WeakPolarHBondContact OH-CD1 3.5Å; L93-L122 PolarHBondContact N-O 3.49Å; L93-S123 WeakPolarHBondContact CA-O 3.5Å; L93-N124 PolarHBondContact N-OD1 2.92Å
94	N	96.4	Very high	95.6	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.095	C	C	.	.			trans	-92.8	146.3	175.9	-53.8	-77.1	0	0	0	111.5	I67 T68 Y69 V70 A92 V96 N124 Y125	I67-N94 PolarHBondContact O-ND2 2.99Å; T68-N94 WeakPolarHBondContact CA-OD1 3.03Å; Y69-N94 PolarHBondContact N-OD1 3.02Å; V70-N94 HydrophobicContact CB-CB 4.49Å; V70-N94 WeakPolarHBondContact CB-OD1 3.04Å; V70-N94 WeakPolarHBondContact CG2-OD1 3.39Å; V70-N94 PolarHBondContact N-OD1 3.25Å; V70-N94 WeakPolarHBondContact O-CA 3.34Å; A92-N94 PolarHBondContact N-ND2 3.1Å; A92-N94 PolarHBondContact O-N 2.83Å; A92-N94 PolarHBondContact O-ND2 2.7Å; N94-V96 HydrophobicContact CB-CG1 4.22Å; N94-N124 WeakPolarHBondContact CB-OD1 3.34Å; N94-N124 PolarHBondContact N-OD1 3.48Å; N94-N124 VanDerWaalsContact N-OD1 3.1Å; N94-N124 PolarHBondContact ND2-OD1 3.12Å; N94-N124 CarbonylContact O-C 3.59Å; N94-N124 VanDerWaalsContact O-CA 3.24Å; N94-N124 WeakPolarHBondContact O-CA 3.28Å; N94-Y125 PolarHBondContact O-N 3.16Å
95	T	94.7	Very high	95.6	Very high	16 Å²	16	20.2 Å²	20.2	10%	0.098	10%	0.099	C	C	.	.			trans	-111.5	-3	174.7	71.1	0	0	0	0	113.7	V70 Q71 R72 D126	V70-T95 PolarHBondContact O-N 2.66Å; Q71-T95 WeakPolarHBondContact CA-OG1 3.46Å; Q71-T95 PolarHBondContact OE1-OG1 3.41Å; R72-T95 WeakPolarHBondContact CG-O 3.4Å; R72-T95 PolarHBondContact N-OG1 3.35Å; R72-T95 VanDerWaalsContact N-OG1 3.16Å; R72-T95 PolarHBondContact NE-O 2.84Å; T95-D126 HydrophobicContact CG2-CB 4.01Å
96	V	95.4	Very high	95.7	Very high	9 Å²	9	20.2 Å²	20.2	6%	0.055	10%	0.099	C	C	.	.			trans	-63.4	143.2	172.9	73	0	0	0	0	112.2	V70 L76 N94 I99 G131 L132	V70-V96 HydrophobicContact CB-CG1 4.4Å; V70-V96 HydrophobicContact CG1-CB 4.24Å; V70-V96 HydrophobicContact CG1-CG1 4.26Å; V70-V96 PolarHBondContact O-N 3.39Å; L76-V96 HydrophobicContact CD1-CG1 3.98Å; N94-V96 HydrophobicContact CB-CG1 4.22Å; V96-I99 HydrophobicContact CG1-CD1 4.2Å; V96-I99 HydrophobicContact CG1-CG1 3.87Å; V96-G131 CarbonylContact O-C 3.57Å; V96-L132 VanDerWaalsContact O-CA 3.28Å; V96-L132 WeakPolarHBondContact O-CA 3.42Å; V96-L132 PolarHBondContact O-N 3.36Å
97	E	92.4	Very high	96.1	Very high	104 Å²	104	19.8 Å²	19.8	49%	0.486	10%	0.095	S	C	.	.	S	Bend	trans	-77.1	-36.1	-173.1	-170	174.8	179.9	0	0	113.8	K133 E134	E97-K133 HydrophobicContact CG-CB 3.84Å; E97-K133 HydrophobicContact CG-CD 3.76Å; E97-K133 HydrophobicContact CG-CG 4.49Å; E97-K133 PolarHBondContact O-N 2.81Å; E97-K133 WeakPolarHBondContact OE1-CD 3.37Å; E97-K133 WeakPolarHBondContact OE1-CE 3.08Å; E97-K133 IonicContact OE1-NZ 2.81Å; E97-K133 PolarHBondContact OE1-NZ 3.16Å; E97-E134 PolarHBondContact O-N 2.75Å
98	R	95	Very high	96.4	Very high	93 Å²	93	20.4 Å²	20.4	35%	0.351	10%	0.097	S	C	.	.	B	Isolated β-bridge	trans	-131.9	133.3	-175.2	-176.5	177.3	179.6	127.1	-8.1	112.1	E102 E134	R98-E102 IonicContact CZ-OE1 3.4Å; R98-E102 IonicContact NE-OE1 3.69Å; R98-E102 IonicContact NH2-OE1 2.68Å; R98-E102 PolarHBondContact NH2-OE1 2.92Å; R98-E134 WeakPolarHBondContact CA-O 3.06Å; R98-E134 HydrophobicContact CB-CB 4.04Å; R98-E134 WeakPolarHBondContact CD-OE2 3.5Å; R98-E134 HydrophobicContact CG-CB 3.85Å; R98-E134 IonicContact CZ-OE2 2.68Å; R98-E134 IonicContact NE-OE2 2.68Å; R98-E134 IonicContact NH1-OE2 3.79Å; R98-E134 PolarHBondContact NH1-OE2 2.93Å
99	I	97.5	Very high	96.2	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.097	C	C	.	.			trans	-118.3	101.5	173.9	-65.8	174.7	0	0	0	108.8	I67 L76 L79 I91 V96 L101 L132 E134 L135	I67-I99 HydrophobicContact CD1-CG2 3.9Å; I67-I99 HydrophobicContact CG2-CD1 4.22Å; L76-I99 HydrophobicContact CD1-CG1 3.8Å; L79-I99 HydrophobicContact CD1-CG2 4.03Å; I91-I99 HydrophobicContact CD1-CG2 4.42Å; I91-I99 HydrophobicContact CG2-CD1 3.45Å; I91-I99 VanDerWaalsContact CG2-CD1 3.45Å; V96-I99 HydrophobicContact CG1-CD1 4.2Å; V96-I99 HydrophobicContact CG1-CG1 3.87Å; I99-L101 VanDerWaalsContact C-N 3.34Å; I99-L101 HydrophobicContact CG2-CD1 4.02Å; I99-L101 HydrophobicContact CG2-CG 4.15Å; I99-L101 PolarHBondContact O-N 3.49Å; I99-L132 HydrophobicContact CB-CD1 4.15Å; I99-L132 HydrophobicContact CD1-CD1 3.74Å; I99-L132 HydrophobicContact CD1-CD2 4.06Å; I99-L132 HydrophobicContact CD1-CG 4.48Å; I99-L132 HydrophobicContact CG1-CD1 3.73Å; I99-E134 PolarHBondContact N-O 3.47Å; I99-L135 HydrophobicContact CB-CD1 3.82Å; I99-L135 HydrophobicContact CG2-CD1 4Å
100	P	96.4	Very high	95.5	Very high	9 Å²	9	25.4 Å²	25.4	6%	0.058	13%	0.125	C	C	.	.			trans	-86.9	62.4	-162.6	35.8	-37.9	0	0	0	113.7	L76 K80 E102	L76-P100 HydrophobicContact CB-CG 4.35Å; L76-P100 VanDerWaalsContact O-CG 3.3Å; L76-P100 WeakPolarHBondContact O-CG 3.38Å; K80-P100 HydrophobicContact CD-CB 4.45Å; K80-P100 HydrophobicContact CG-CB 3.9Å; K80-P100 HydrophobicContact CG-CG 4.19Å; K80-P100 WeakPolarHBondContact CG-O 3.34Å; P100-E102 HydrophobicContact CB-CG 4.43Å; P100-E102 PolarHBondContact O-N 3.36Å
101	L	97.3	Very high	94.7	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.146	C	C	.	.			trans	-78	45.6	174	-70.3	167.2	0	0	0	112.3	L65 I67 L79 I82 I91 I99 N103 L104 M137	L65-L101 HydrophobicContact CD2-CD1 4.13Å; L65-L101 HydrophobicContact CD2-CD2 3.81Å; I67-L101 HydrophobicContact CD1-CD1 3.99Å; L79-L101 HydrophobicContact CB-CD2 3.98Å; L79-L101 HydrophobicContact CD1-CD2 4.48Å; I82-L101 HydrophobicContact CB-CD2 4.4Å; I82-L101 HydrophobicContact CD1-CD2 4.21Å; I91-L101 HydrophobicContact CD1-CD1 4.03Å; I99-L101 VanDerWaalsContact C-N 3.34Å; I99-L101 HydrophobicContact CG2-CD1 4.02Å; I99-L101 HydrophobicContact CG2-CG 4.15Å; I99-L101 PolarHBondContact O-N 3.49Å; L101-N103 VanDerWaalsContact C-N 3.26Å; L101-N103 PolarHBondContact O-N 2.75Å; L101-L104 HydrophobicContact CB-CB 4.38Å; L101-L104 PolarHBondContact O-N 3.21Å; L101-M137 HydrophobicContact CB-CE 4.35Å; L101-M137 HydrophobicContact CB-CG 4.16Å; L101-M137 HydrophobicContact CD1-CE 3.62Å
102	E	95.5	Very high	94.3	Very high	11 Å²	11	33.9 Å²	33.9	5%	0.051	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-22.4	-168.4	-69.8	172.1	-155.2	0	0	114	K80 R98 P100 P136 R138 N139	K80-E102 VanDerWaalsContact CE-OE1 3.27Å; K80-E102 WeakPolarHBondContact CE-OE1 3.3Å; K80-E102 VanDerWaalsContact NZ-CD 3.31Å; K80-E102 IonicContact NZ-OE1 3.72Å; K80-E102 PolarHBondContact NZ-OE1 3.05Å; K80-E102 IonicContact NZ-OE2 3Å; K80-E102 PolarHBondContact NZ-OE2 3.42Å; R98-E102 IonicContact CZ-OE1 3.4Å; R98-E102 IonicContact NE-OE1 3.69Å; R98-E102 IonicContact NH2-OE1 2.68Å; R98-E102 PolarHBondContact NH2-OE1 2.92Å; P100-E102 HydrophobicContact CB-CG 4.43Å; P100-E102 PolarHBondContact O-N 3.36Å; E102-P136 WeakPolarHBondContact CA-O 3.38Å; E102-P136 HydrophobicContact CG-CB 4.28Å; E102-P136 HydrophobicContact CG-CG 3.88Å; E102-R138 WeakPolarHBondContact O-CG 3.41Å; E102-R138 IonicContact OE2-CZ 2.67Å; E102-R138 IonicContact OE2-NH1 3.86Å; E102-R138 IonicContact OE2-NH2 2.82Å; E102-R138 PolarHBondContact OE2-NH2 3.29Å; E102-N139 PolarHBondContact O-ND2 3.46Å
103	N	96.6	Very high	94	Very high	65 Å²	65	34.6 Å²	34.6	35%	0.348	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.8	1.1	-176.6	-68.1	-34.3	0	0	0	114.4	K80 I82 Q83 L101 Q105	K80-N103 WeakPolarHBondContact O-CB 3.07Å; K80-N103 PolarHBondContact O-ND2 3.47Å; I82-N103 CarbonylContact O-C 3.35Å; Q83-N103 WeakPolarHBondContact CA-O 3.26Å; L101-N103 VanDerWaalsContact C-N 3.26Å; L101-N103 PolarHBondContact O-N 2.75Å; N103-Q105 PolarHBondContact O-N 2.82Å
104	L	97.6	Very high	93.6	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	17%	0.171	C	C	.	.			trans	-62.4	119.5	175.9	179.5	64.4	0	0	0	109.4	I82 V85 V89 L101 I107 M137 N139 L140	I82-L104 HydrophobicContact CG2-CD1 4.22Å; I82-L104 WeakPolarHBondContact O-CA 3.39Å; I82-L104 PolarHBondContact O-N 3.03Å; I82-L104 VanDerWaalsContact O-N 3.12Å; V85-L104 HydrophobicContact CG2-CD1 3.86Å; V89-L104 HydrophobicContact CG2-CD2 4.47Å; L101-L104 HydrophobicContact CB-CB 4.38Å; L101-L104 PolarHBondContact O-N 3.21Å; L104-I107 HydrophobicContact CD2-CD1 4.45Å; L104-I107 HydrophobicContact CD2-CG1 4.32Å; L104-M137 HydrophobicContact CD2-CE 4.3Å; L104-N139 CarbonylContact O-C 3.18Å; L104-L140 HydrophobicContact CG-CD1 4.43Å; L104-L140 WeakPolarHBondContact O-CA 3.28Å; L104-L140 PolarHBondContact O-N 2.66Å
105	Q	96.1	Very high	93.1	Very high	36 Å²	36	43.2 Å²	43.2	17%	0.168	21%	0.208	C	C	.	.			trans	-102.5	-37.1	-176.2	-72.9	166	0.1	0	0	112.7	Q83 N103 N139 Q141 E142 V250	Q83-Q105 PolarHBondContact O-N 2.95Å; N103-Q105 PolarHBondContact O-N 2.82Å; Q105-N139 WeakPolarHBondContact CA-O 3.36Å; Q105-N139 HydrophobicContact CG-CB 4.28Å; Q105-Q141 PolarHBondContact O-N 2.84Å; Q105-Q141 VanDerWaalsContact O-N 3.1Å; Q105-E142 PolarHBondContact O-N 3.32Å; Q105-V250 HydrophobicContact CB-CG2 4.05Å
106	I	96.9	Very high	92.9	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	143.3	-172.2	-167.7	168.9	0	0	0	112.4	Q83 E84 V85 R108 E142 L144 A237 V250	Q83-I106 PolarHBondContact O-N 2.91Å; E84-I106 HydrophobicContact CB-CG2 3.68Å; E84-I106 HydrophobicContact CG-CG2 3.68Å; V85-I106 PolarHBondContact N-O 2.9Å; V85-I106 VanDerWaalsContact N-O 3.12Å; I106-R108 HydrophobicContact CD1-CG 4.05Å; I106-R108 HydrophobicContact CG1-CG 4.16Å; I106-E142 WeakPolarHBondContact CA-O 3.06Å; I106-E142 HydrophobicContact CD1-CB 4.37Å; I106-E142 HydrophobicContact CD1-CG 4.17Å; I106-E142 HydrophobicContact CG1-CB 4.05Å; I106-E142 HydrophobicContact CG1-CG 4.17Å; I106-L144 HydrophobicContact CD1-CD1 3.93Å; I106-L144 HydrophobicContact CD1-CG 4.05Å; I106-A237 HydrophobicContact CD1-CB 3.61Å; I106-V250 HydrophobicContact CD1-CG1 4.2Å; I106-V250 HydrophobicContact CG2-CG1 4.09Å
107	I	97.8	Very high	92.9	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	121.6	159.2	-50.8	168.5	0	0	0	106.8	V85 G87 V89 L104 A118 L119 L140 E142 I143 L144	V85-I107 CarbonylContact O-C 3.53Å; V85-I107 WeakPolarHBondContact O-CA 3.47Å; G87-I107 VanDerWaalsContact O-CG2 3.3Å; G87-I107 WeakPolarHBondContact O-CG2 3.23Å; V89-I107 HydrophobicContact CB-CD1 4.04Å; V89-I107 HydrophobicContact CG2-CD1 3.52Å; V89-I107 HydrophobicContact CG2-CG1 3.78Å; V89-I107 HydrophobicContact CG2-CG2 4.25Å; L104-I107 HydrophobicContact CD2-CD1 4.45Å; L104-I107 HydrophobicContact CD2-CG1 4.32Å; I107-A118 HydrophobicContact CG2-CB 4.17Å; I107-L119 HydrophobicContact CD1-CB 4.06Å; I107-L119 HydrophobicContact CD1-CD1 4.43Å; I107-L140 HydrophobicContact CD1-CD1 4.37Å; I107-L140 HydrophobicContact CD1-CD2 4.3Å; I107-L140 HydrophobicContact CG1-CD1 4.14Å; I107-E142 PolarHBondContact N-O 3.49Å; I107-I143 HydrophobicContact CB-CG1 4.21Å; I107-I143 HydrophobicContact CD1-CD1 4.19Å; I107-I143 HydrophobicContact CD1-CG1 4.26Å; I107-I143 HydrophobicContact CG1-CG1 4.49Å; I107-I143 WeakPolarHBondContact O-CA 3.5Å; I107-L144 PolarHBondContact O-N 3.03Å
108	R	94.6	Very high	93.1	Very high	14 Å²	14	40.6 Å²	40.6	5%	0.053	20%	0.198	C	C	.	.			trans	-83.8	-25.8	-173.3	-57.8	-179.1	174.8	-88.7	-1.4	112.8	E84 V85 I106 L144 H145 V250 C251 R252	E84-R108 IonicContact OE2-CZ 2.69Å; E84-R108 IonicContact OE2-NE 2.76Å; E84-R108 IonicContact OE2-NH2 2.94Å; E84-R108 PolarHBondContact OE2-NH2 2.03Å; V85-R108 PolarHBondContact O-N 2.99Å; I106-R108 HydrophobicContact CD1-CG 4.05Å; I106-R108 HydrophobicContact CG1-CG 4.16Å; R108-L144 HydrophobicContact CB-CD1 4.18Å; R108-L144 HydrophobicContact CG-CD1 4.12Å; R108-H145 PolarHBondContact O-CD2 2.95Å; R108-V250 VanDerWaalsContact NH2-CG1 3.27Å; R108-C251 PolarHBondContact NH1-O 3.47Å; R108-C251 PolarHBondContact NH2-O 2.94Å; R108-R252 PolarHBondContact NH1-O 2.71Å
109	G	92.4	Very high	93.2	Very high	2 Å²	2	36.2 Å²	36.2	2%	0.021	18%	0.181	C	C	.	.			trans	70.6	30.4	175.2	0	0	0	0	0	113.9	A86 G87 M111 Y112	A86-G109 PolarHBondContact O-N 2.71Å; G87-G109 PolarHBondContact O-N 2.8Å; G109-M111 PolarHBondContact O-N 3.39Å; G109-Y112 WeakPolarHBondContact O-CE1 3.38Å
110	N	85.1	Confident	93.2	Very high	110 Å²	110	36.2 Å²	36.2	59%	0.588	18%	0.181	S	C	*	.	S	Bend	trans	-65.5	-14.7	174.8	-63.1	-4.2	0	0	0	112.5	A86	A86-N110 VanDerWaalsContact O-CB 3.24Å; A86-N110 WeakPolarHBondContact O-CB 3.47Å; A86-N110 VanDerWaalsContact O-CG 3.27Å; A86-N110 PolarHBondContact O-N 2.64Å
111	M	79.8	Confident	93.3	Very high	92 Å²	92	35.8 Å²	35.8	45%	0.453	18%	0.178	S	C	.	.	S	Bend	trans	-140.1	152	172.8	-65	179.4	70.4	0	0	108	Y88 G109	Y88-M111 HydrophobicContact CD1-CB 4.06Å; Y88-M111 HydrophobicContact CE1-CB 4.42Å; G109-M111 PolarHBondContact O-N 3.39Å
112	Y	91.3	Very high	93.2	Very high	86 Å²	86	36.5 Å²	36.5	34%	0.337	18%	0.182	S	C	.	.			trans	-121.1	143	178.3	-51.1	-46.2	0	0	0	112.5	Y88 G109 N115 Y117 H145 G146	Y88-Y112 VanDerWaalsContact CD1-C 3.45Å; G109-Y112 WeakPolarHBondContact O-CE1 3.38Å; Y112-N115 WeakPolarHBondContact CD2-O 3.03Å; Y112-Y117 CarbonylContact C-O 3.6Å; Y112-Y117 WeakPolarHBondContact CA-O 3.07Å; Y112-H145 HydrophobicContact CE1-CB 4.17Å; Y112-G146 VanDerWaalsContact CE1-CA 3.47Å
113	Y	89.6	Confident	93.2	Very high	16 Å²	16	37.4 Å²	37.4	6%	0.063	19%	0.19	C	C	.	.	B	Isolated β-bridge	trans	-76.4	138.2	162.1	-174.6	-94.3	0	0	0	109.7	K37 Y88 L90 N115 S116 Y117 A120 L122	K37-Y113 HydrophobicContact CB-CE2 4.34Å; Y88-Y113 HydrophobicContact CE2-CD2 4Å; Y88-Y113 HydrophobicContact CE2-CG 4.46Å; L90-Y113 HydrophobicContact CD1-CD1 4.4Å; L90-Y113 HydrophobicContact CD1-CD2 3.95Å; L90-Y113 HydrophobicContact CD1-CE1 4.29Å; L90-Y113 HydrophobicContact CD1-CE2 3.83Å; L90-Y113 HydrophobicContact CD1-CG 4.25Å; L90-Y113 HydrophobicContact CD2-CD2 3.86Å; L90-Y113 HydrophobicContact CD2-CE2 3.66Å; L90-Y113 HydrophobicContact CG-CD2 4.37Å; L90-Y113 HydrophobicContact CG-CE2 4.36Å; Y113-N115 PolarHBondContact O-N 3.46Å; Y113-N115 VanDerWaalsContact O-N 3.07Å; Y113-S116 PolarHBondContact O-N 3.47Å; Y113-S116 VanDerWaalsContact O-N 3.09Å; Y113-Y117 PolarHBondContact N-O 3.38Å; Y113-Y117 WeakPolarHBondContact O-CD2 3.25Å; Y113-Y117 PolarHBondContact O-N 2.88Å; Y113-A120 HydrophobicContact CD1-CB 3.8Å; Y113-A120 HydrophobicContact CE1-CB 4.42Å; Y113-A120 HydrophobicContact CG-CB 4.28Å; Y113-L122 HydrophobicContact CE1-CD1 3.7Å
114	E	88.1	Confident	93.1	Very high	97 Å²	97	34.3 Å²	34.3	45%	0.453	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	43.6	40.4	-172.9	-74	174.4	-146.2	0	0	113.7	S116 Y117 R149	E114-S116 PolarHBondContact O-N 3.29Å; E114-S116 PolarHBondContact O-OG 3.32Å; E114-Y117 HydrophobicContact CB-CD2 4.14Å; E114-Y117 HydrophobicContact CB-CE2 4.22Å; E114-R149 IonicContact OE1-NH1 3.74Å; E114-R149 IonicContact OE2-CZ 2.79Å; E114-R149 IonicContact OE2-NH1 2.68Å; E114-R149 PolarHBondContact OE2-NH1 2.66Å
115	N	84.8	Confident	92.8	Very high	148 Å²	148	38.9 Å²	38.9	79%	0.791	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.5	4.6	179.9	-52.9	-27.9	0	0	0	116	Y112 Y113	Y112-N115 WeakPolarHBondContact CD2-O 3.03Å; Y113-N115 PolarHBondContact O-N 3.46Å; Y113-N115 VanDerWaalsContact O-N 3.07Å
116	S	89.7	Confident	92.4	Very high	42 Å²	42	38.4 Å²	38.4	29%	0.294	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-134.5	-30.5	-166.3	-49.4	0	0	0	0	114.2	Y113 E114 A147	Y113-S116 PolarHBondContact O-N 3.47Å; Y113-S116 VanDerWaalsContact O-N 3.09Å; E114-S116 PolarHBondContact O-N 3.29Å; E114-S116 PolarHBondContact O-OG 3.32Å; S116-A147 WeakPolarHBondContact O-CB 3.39Å; S116-A147 PolarHBondContact O-N 2.03Å
117	Y	95.4	Very high	91.9	Very high	32 Å²	32	43.5 Å²	43.5	13%	0.125	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	130.3	-165.8	-50.9	-71.7	0	0	0	112.6	Y112 Y113 E114 A147 R149 N175	Y112-Y117 CarbonylContact C-O 3.6Å; Y112-Y117 WeakPolarHBondContact CA-O 3.07Å; Y113-Y117 PolarHBondContact N-O 3.38Å; Y113-Y117 WeakPolarHBondContact O-CD2 3.25Å; Y113-Y117 PolarHBondContact O-N 2.88Å; E114-Y117 HydrophobicContact CB-CD2 4.14Å; E114-Y117 HydrophobicContact CB-CE2 4.22Å; Y117-A147 CarbonylContact C-O 3.54Å; Y117-A147 VanDerWaalsContact CA-O 3.31Å; Y117-A147 WeakPolarHBondContact CA-O 3.35Å; Y117-A147 HydrophobicContact CD1-CB 3.95Å; Y117-A147 HydrophobicContact CE1-CB 4.33Å; Y117-R149 HydrophobicContact CD1-CB 3.63Å; Y117-R149 HydrophobicContact CD2-CB 4.39Å; Y117-R149 HydrophobicContact CE1-CB 3.77Å; Y117-R149 HydrophobicContact CE1-CG 4.4Å; Y117-R149 HydrophobicContact CG-CB 3.95Å; Y117-N175 WeakPolarHBondContact CE1-O 3.41Å
118	A	96.9	Very high	91.4	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	-20.2	169.2	0	0	0	0	0	112.6	Y88 V89 I107 I143 H145 A147	Y88-A118 CarbonylContact C-O 3.59Å; Y88-A118 VanDerWaalsContact CA-O 3.31Å; Y88-A118 WeakPolarHBondContact CA-O 3.25Å; Y88-A118 WeakPolarHBondContact CB-O 3.31Å; V89-A118 PolarHBondContact N-O 3.14Å; I107-A118 HydrophobicContact CG2-CB 4.17Å; A118-I143 HydrophobicContact CB-CG2 3.88Å; A118-H145 WeakPolarHBondContact CB-O 3.05Å; A118-A147 PolarHBondContact N-O 3.08Å
119	L	98.3	Very high	90.9	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	123.4	168.2	175	60.8	0	0	0	109.3	V89 I107 V121 M137 L140 I143 A147 V148 R149 F150 W164	V89-L119 HydrophobicContact CB-CD1 3.81Å; V89-L119 HydrophobicContact CG1-CD1 3.77Å; V89-L119 WeakPolarHBondContact O-CA 3.42Å; I107-L119 HydrophobicContact CD1-CB 4.06Å; I107-L119 HydrophobicContact CD1-CD1 4.43Å; L119-V121 HydrophobicContact CD1-CG2 3.98Å; L119-V121 HydrophobicContact CG-CG2 4.34Å; L119-M137 HydrophobicContact CD1-CE 4.21Å; L119-M137 HydrophobicContact CD2-SD 4.42Å; L119-L140 HydrophobicContact CD2-CD2 4.45Å; L119-I143 HydrophobicContact CB-CD1 4.37Å; L119-A147 PolarHBondContact N-O 3.35Å; L119-V148 HydrophobicContact CB-CG1 4.37Å; L119-V148 HydrophobicContact CB-CG2 4.38Å; L119-V148 HydrophobicContact CD2-CG1 4.14Å; L119-V148 HydrophobicContact CG-CG1 4.36Å; L119-V148 CarbonylContact O-C 3.6Å; L119-V148 WeakPolarHBondContact O-CA 3.29Å; L119-R149 PolarHBondContact O-N 3.34Å; L119-F150 HydrophobicContact CD2-CE2 4.22Å; L119-F150 HydrophobicContact CD2-CZ 4.32Å; L119-W164 HydrophobicContact CD2-CH2 3.66Å; L119-W164 HydrophobicContact CD2-CZ3 3.92Å
120	A	97.8	Very high	90.6	Very high	0 Å²	0	57 Å²	57	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	118.5	177.4	0	0	0	0	0	110.9	V89 L90 I91 Y113 L122 R149	V89-A120 PolarHBondContact O-N 2.72Å; L90-A120 WeakPolarHBondContact CA-O 3.44Å; L90-A120 HydrophobicContact CD1-CB 4.01Å; I91-A120 PolarHBondContact N-O 2.9Å; Y113-A120 HydrophobicContact CD1-CB 3.8Å; Y113-A120 HydrophobicContact CE1-CB 4.42Å; Y113-A120 HydrophobicContact CG-CB 4.28Å; A120-L122 HydrophobicContact CB-CD1 4.25Å; A120-L122 HydrophobicContact CB-CG 4.32Å; A120-R149 CarbonylContact C-O 3.57Å; A120-R149 WeakPolarHBondContact CA-O 3.34Å
121	V	97.7	Very high	90.9	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	105.2	179.8	-172.5	0	0	0	0	109.1	I91 L119 L132 L135 R149 F150 S151 N153	I91-V121 HydrophobicContact CB-CG1 4.28Å; I91-V121 HydrophobicContact CB-CG2 4.27Å; I91-V121 HydrophobicContact CD1-CG2 4.49Å; I91-V121 HydrophobicContact CG2-CG1 4.34Å; I91-V121 CarbonylContact O-C 3.5Å; I91-V121 VanDerWaalsContact O-CA 3.28Å; I91-V121 WeakPolarHBondContact O-CA 3.36Å; L119-V121 HydrophobicContact CD1-CG2 3.98Å; L119-V121 HydrophobicContact CG-CG2 4.34Å; V121-L132 HydrophobicContact CG1-CD2 4.03Å; V121-L135 HydrophobicContact CG1-CD2 4.35Å; V121-L135 HydrophobicContact CG2-CD2 4.06Å; V121-R149 PolarHBondContact N-O 3.19Å; V121-F150 HydrophobicContact CB-CD1 3.64Å; V121-F150 HydrophobicContact CB-CE1 3.54Å; V121-F150 HydrophobicContact CB-CG 4.3Å; V121-F150 HydrophobicContact CB-CZ 4.14Å; V121-F150 HydrophobicContact CG1-CD1 4.06Å; V121-F150 HydrophobicContact CG1-CE1 3.9Å; V121-F150 HydrophobicContact CG2-CD1 4.09Å; V121-F150 HydrophobicContact CG2-CE1 3.49Å; V121-F150 VanDerWaalsContact CG2-CE1 3.49Å; V121-F150 HydrophobicContact CG2-CE2 4.33Å; V121-F150 HydrophobicContact CG2-CZ 3.62Å; V121-F150 WeakPolarHBondContact O-CA 3.19Å; V121-S151 PolarHBondContact O-N 3.4Å; V121-S151 VanDerWaalsContact O-N 3.08Å; V121-N153 PolarHBondContact O-ND2 2.97Å
122	L	95.8	Very high	91.6	Very high	16 Å²	16	47.7 Å²	47.7	8%	0.084	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	124.7	-159.9	-54.4	175.8	0	0	0	113.2	L90 I91 A92 L93 Y113 A120 N124 R149 S151	L90-L122 HydrophobicContact CD1-CD1 4.24Å; I91-L122 PolarHBondContact O-N 2.92Å; A92-L122 WeakPolarHBondContact CA-O 3.17Å; A92-L122 HydrophobicContact CB-CB 4.03Å; A92-L122 WeakPolarHBondContact CB-O 3.09Å; L93-L122 PolarHBondContact N-O 3.49Å; Y113-L122 HydrophobicContact CE1-CD1 3.7Å; A120-L122 HydrophobicContact CB-CD1 4.25Å; A120-L122 HydrophobicContact CB-CG 4.32Å; L122-N124 PolarHBondContact N-ND2 2.99Å; L122-N124 PolarHBondContact O-N 2.04Å; L122-N124 PolarHBondContact O-ND2 2.71Å; L122-R149 HydrophobicContact CD2-CG 3.88Å; L122-S151 WeakPolarHBondContact CA-O 3.44Å
123	S	94.6	Very high	91.6	Very high	30 Å²	30	46.3 Å²	46.3	21%	0.21	25%	0.251	C	S	.	.			trans	54.7	42.2	166.5	-59.6	0	0	0	0	115.1	L93 Y125 S151 N152	L93-S123 WeakPolarHBondContact CA-O 3.5Å; S123-Y125 PolarHBondContact O-N 3.15Å; S123-Y125 VanDerWaalsContact O-N 3.14Å; S123-S151 PolarHBondContact N-O 2.73Å; S123-N152 WeakPolarHBondContact CA-O 3.49Å; S123-N152 PolarHBondContact N-O 2.87Å
124	N	94.4	Very high	91.7	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.262	C	S	.	.			trans	-88.3	67.4	-178.4	-62.8	-79.6	0	0	0	112.5	I91 A92 L93 N94 L122 G131 L132 N153	I91-N124 PolarHBondContact O-ND2 3.29Å; A92-N124 WeakPolarHBondContact CA-OD1 3.37Å; A92-N124 PolarHBondContact N-OD1 3.48Å; L93-N124 PolarHBondContact N-OD1 2.92Å; N94-N124 WeakPolarHBondContact CB-OD1 3.34Å; N94-N124 PolarHBondContact N-OD1 3.48Å; N94-N124 VanDerWaalsContact N-OD1 3.1Å; N94-N124 PolarHBondContact ND2-OD1 3.12Å; N94-N124 CarbonylContact O-C 3.59Å; N94-N124 VanDerWaalsContact O-CA 3.24Å; N94-N124 WeakPolarHBondContact O-CA 3.28Å; L122-N124 PolarHBondContact N-ND2 2.99Å; L122-N124 PolarHBondContact O-N 2.04Å; L122-N124 PolarHBondContact O-ND2 2.71Å; N124-G131 WeakPolarHBondContact O-CA 3.4Å; N124-L132 HydrophobicContact CB-CB 3.53Å; N124-L132 HydrophobicContact CB-CD2 4.16Å; N124-L132 PolarHBondContact O-N 2.86Å; N124-N153 WeakPolarHBondContact CB-OD1 3.43Å; N124-N153 PolarHBondContact N-OD1 3.39Å; N124-N153 PolarHBondContact ND2-OD1 3.09Å
125	Y	91.4	Very high	92.1	Very high	95 Å²	95	44 Å²	44	37%	0.373	24%	0.241	S	C	.	.	B	Isolated β-bridge	trans	-149	155.6	-179.8	65.4	-76.4	0	0	0	112.8	N94 S123 T130 N152 P154	N94-Y125 PolarHBondContact O-N 3.16Å; S123-Y125 PolarHBondContact O-N 3.15Å; S123-Y125 VanDerWaalsContact O-N 3.14Å; Y125-T130 CarbonylContact C-O 3.55Å; Y125-T130 WeakPolarHBondContact CA-O 3.31Å; Y125-N152 WeakPolarHBondContact CD1-O 3.28Å; Y125-N152 HydrophobicContact CE1-CB 3.94Å; Y125-P154 HydrophobicContact CD1-CG 4.24Å; Y125-P154 HydrophobicContact CD2-CG 4.39Å; Y125-P154 HydrophobicContact CG-CG 3.87Å
126	D	89.1	Confident	92.6	Very high	27 Å²	27	37.1 Å²	37.1	14%	0.144	20%	0.204	C	C	.	.			trans	-91.1	179.7	171	78.7	-18.9	0	0	0	112.5	R72 T95 N128 K129 T130	R72-D126 IonicContact CZ-OD2 3.3Å; R72-D126 VanDerWaalsContact CZ-OD2 3.3Å; R72-D126 IonicContact NH1-OD2 2.79Å; R72-D126 PolarHBondContact NH1-OD2 3.23Å; R72-D126 IonicContact NH2-OD1 3.58Å; R72-D126 PolarHBondContact NH2-OD1 2.92Å; R72-D126 IonicContact NH2-OD2 2.92Å; R72-D126 PolarHBondContact NH2-OD2 2.77Å; T95-D126 HydrophobicContact CG2-CB 4.01Å; D126-N128 PolarHBondContact O-N 3.44Å; D126-N128 WeakPolarHBondContact OD1-CA 3.44Å; D126-N128 WeakPolarHBondContact OD1-CB 3.02Å; D126-N128 PolarHBondContact OD1-N 2.78Å; D126-N128 PolarHBondContact OD2-ND2 3.39Å; D126-K129 PolarHBondContact O-N 3.49Å; D126-K129 PolarHBondContact OD1-N 3.35Å; D126-T130 VanDerWaalsContact CG-OG1 3.28Å; D126-T130 PolarHBondContact N-O 2.81Å; D126-T130 WeakPolarHBondContact OD1-CA 3.02Å; D126-T130 PolarHBondContact OD1-N 3.07Å; D126-T130 PolarHBondContact OD1-OG1 3.06Å; D126-T130 PolarHBondContact OD2-OG1 2.7Å
127	A	86.5	Confident	93	Very high	106 Å²	106	35.1 Å²	35.1	88%	0.876	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-20.8	176.4	0	0	0	0	0	114.4	K129	A127-K129 VanDerWaalsContact C-N 3.33Å
128	N	86.3	Confident	93	Very high	124 Å²	124	35.6 Å²	35.6	66%	0.663	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.1	10.2	177.7	-49	-71	0	0	0	113	D126 T130	D126-N128 PolarHBondContact O-N 3.44Å; D126-N128 WeakPolarHBondContact OD1-CA 3.44Å; D126-N128 WeakPolarHBondContact OD1-CB 3.02Å; D126-N128 PolarHBondContact OD1-N 2.78Å; D126-N128 PolarHBondContact OD2-ND2 3.39Å; N128-T130 PolarHBondContact O-N 3.38Å
129	K	84.1	Confident	93	Very high	113 Å²	113	36.8 Å²	36.8	49%	0.491	20%	0.198	S	C	.	.	S	Bend	trans	59.6	25.1	-171.7	-59.6	-170.5	178.1	-171	0	114.6	D126 A127 P154	D126-K129 PolarHBondContact O-N 3.49Å; D126-K129 PolarHBondContact OD1-N 3.35Å; A127-K129 VanDerWaalsContact C-N 3.33Å; K129-P154 HydrophobicContact CB-CB 4.44Å; K129-P154 HydrophobicContact CB-CG 4.1Å
130	T	86.4	Confident	92.9	Very high	63 Å²	63	36.9 Å²	36.9	39%	0.387	20%	0.199	S	C	.	.			trans	-112.6	141.9	-179.3	49.3	0	0	0	0	110.9	R72 Y125 D126 N128	R72-T130 PolarHBondContact NH2-O 3.13Å; R72-T130 PolarHBondContact NH2-OG1 2.03Å; Y125-T130 CarbonylContact C-O 3.55Å; Y125-T130 WeakPolarHBondContact CA-O 3.31Å; D126-T130 VanDerWaalsContact CG-OG1 3.28Å; D126-T130 PolarHBondContact N-O 2.81Å; D126-T130 WeakPolarHBondContact OD1-CA 3.02Å; D126-T130 PolarHBondContact OD1-N 3.07Å; D126-T130 PolarHBondContact OD1-OG1 3.06Å; D126-T130 PolarHBondContact OD2-OG1 2.7Å; N128-T130 PolarHBondContact O-N 3.38Å
131	G	90.4	Very high	92.9	Very high	7 Å²	7	37.5 Å²	37.5	7%	0.072	20%	0.201	C	C	.	.	B	Isolated β-bridge	trans	174.1	-132.4	-172.4	0	0	0	0	0	112.6	V96 N124 K133	V96-G131 CarbonylContact O-C 3.57Å; N124-G131 WeakPolarHBondContact O-CA 3.4Å; G131-K133 PolarHBondContact O-N 2.7Å
132	L	94.4	Very high	92.8	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.205	C	C	.	.			trans	-63.3	120.4	-178.5	179.7	62.2	0	0	0	111.1	I91 V96 I99 V121 N124 A155 L156	I91-L132 HydrophobicContact CG2-CD2 3.95Å; V96-L132 VanDerWaalsContact O-CA 3.28Å; V96-L132 WeakPolarHBondContact O-CA 3.42Å; V96-L132 PolarHBondContact O-N 3.36Å; I99-L132 HydrophobicContact CB-CD1 4.15Å; I99-L132 HydrophobicContact CD1-CD1 3.74Å; I99-L132 HydrophobicContact CD1-CD2 4.06Å; I99-L132 HydrophobicContact CD1-CG 4.48Å; I99-L132 HydrophobicContact CG1-CD1 3.73Å; V121-L132 HydrophobicContact CG1-CD2 4.03Å; N124-L132 HydrophobicContact CB-CB 3.53Å; N124-L132 HydrophobicContact CB-CD2 4.16Å; N124-L132 PolarHBondContact O-N 2.86Å; L132-A155 CarbonylContact O-C 3.11Å; L132-L156 HydrophobicContact CG-CD1 4.3Å; L132-L156 WeakPolarHBondContact O-CA 3.47Å; L132-L156 PolarHBondContact O-N 3.23Å
133	K	91.2	Very high	92.9	Very high	56 Å²	56	37.5 Å²	37.5	24%	0.243	20%	0.201	C	C	.	.			trans	-118.8	-42.3	-176.2	177.5	-166.1	169.1	-169.3	0	112.2	E97 G131 A155 C157	E97-K133 HydrophobicContact CG-CB 3.84Å; E97-K133 HydrophobicContact CG-CD 3.76Å; E97-K133 HydrophobicContact CG-CG 4.49Å; E97-K133 PolarHBondContact O-N 2.81Å; E97-K133 WeakPolarHBondContact OE1-CD 3.37Å; E97-K133 WeakPolarHBondContact OE1-CE 3.08Å; E97-K133 IonicContact OE1-NZ 2.81Å; E97-K133 PolarHBondContact OE1-NZ 3.16Å; G131-K133 PolarHBondContact O-N 2.7Å; K133-A155 VanDerWaalsContact CA-O 3.28Å; K133-A155 WeakPolarHBondContact CA-O 3.44Å; K133-A155 WeakPolarHBondContact CG-O 3.44Å; K133-C157 PolarHBondContact O-N 3.05Å
134	E	92.3	Very high	92.8	Very high	65 Å²	65	37.3 Å²	37.3	30%	0.304	20%	0.197	S	C	.	.	B	Isolated β-bridge	trans	-116.5	115.5	-176.5	-66.7	-178.3	-173.2	0	0	111.5	E97 R98 I99 P136	E97-E134 PolarHBondContact O-N 2.75Å; R98-E134 WeakPolarHBondContact CA-O 3.06Å; R98-E134 HydrophobicContact CB-CB 4.04Å; R98-E134 WeakPolarHBondContact CD-OE2 3.5Å; R98-E134 HydrophobicContact CG-CB 3.85Å; R98-E134 IonicContact CZ-OE2 2.68Å; R98-E134 IonicContact NE-OE2 2.68Å; R98-E134 IonicContact NH1-OE2 3.79Å; R98-E134 PolarHBondContact NH1-OE2 2.93Å; I99-E134 PolarHBondContact N-O 3.47Å; E134-P136 VanDerWaalsContact C-CD 3.41Å; E134-P136 WeakPolarHBondContact O-CD 3.43Å
135	L	96.3	Very high	92.8	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.212	C	C	.	.			trans	-123.2	68.3	175.9	-169	64.4	0	0	0	110.8	I91 I99 V121 M137 F150 L156 V159	I91-L135 HydrophobicContact CD1-CD1 3.72Å; I91-L135 HydrophobicContact CD1-CD2 4.3Å; I99-L135 HydrophobicContact CB-CD1 3.82Å; I99-L135 HydrophobicContact CG2-CD1 4Å; V121-L135 HydrophobicContact CG1-CD2 4.35Å; V121-L135 HydrophobicContact CG2-CD2 4.06Å; L135-M137 VanDerWaalsContact C-N 3.3Å; L135-M137 HydrophobicContact CD1-CE 4.05Å; L135-M137 HydrophobicContact CD2-CE 4.14Å; L135-M137 HydrophobicContact CD2-SD 4.39Å; L135-M137 HydrophobicContact CG-CE 4.11Å; L135-M137 HydrophobicContact CG-CG 4.28Å; L135-M137 HydrophobicContact CG-SD 4.33Å; L135-M137 PolarHBondContact O-N 3.1Å; L135-F150 HydrophobicContact CD2-CE1 4.19Å; L135-F150 HydrophobicContact CD2-CZ 4.42Å; L135-L156 HydrophobicContact CB-CD1 3.98Å; L135-V159 HydrophobicContact CB-CG2 4.28Å
136	P	95.8	Very high	92.9	Very high	3 Å²	3	36 Å²	36	2%	0.019	19%	0.194	C	C	.	.			trans	-75.5	67.9	-168.1	32.5	-39.4	0	0	0	113.7	E102 E134 R138	E102-P136 WeakPolarHBondContact CA-O 3.38Å; E102-P136 HydrophobicContact CG-CB 4.28Å; E102-P136 HydrophobicContact CG-CG 3.88Å; E134-P136 VanDerWaalsContact C-CD 3.41Å; E134-P136 WeakPolarHBondContact O-CD 3.43Å; P136-R138 PolarHBondContact O-N 2.87Å
137	M	97.4	Very high	93.1	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.188	C	C	.	.			trans	-77.9	43.4	177.2	-63.4	176.5	165.2	0	0	113.1	I91 L101 L104 L119 L135 N139 L140 W200	I91-M137 HydrophobicContact CD1-CE 3.89Å; L101-M137 HydrophobicContact CB-CE 4.35Å; L101-M137 HydrophobicContact CB-CG 4.16Å; L101-M137 HydrophobicContact CD1-CE 3.62Å; L104-M137 HydrophobicContact CD2-CE 4.3Å; L119-M137 HydrophobicContact CD1-CE 4.21Å; L119-M137 HydrophobicContact CD2-SD 4.42Å; L135-M137 VanDerWaalsContact C-N 3.3Å; L135-M137 HydrophobicContact CD1-CE 4.05Å; L135-M137 HydrophobicContact CD2-CE 4.14Å; L135-M137 HydrophobicContact CD2-SD 4.39Å; L135-M137 HydrophobicContact CG-CE 4.11Å; L135-M137 HydrophobicContact CG-CG 4.28Å; L135-M137 HydrophobicContact CG-SD 4.33Å; L135-M137 PolarHBondContact O-N 3.1Å; M137-N139 PolarHBondContact O-N 2.98Å; M137-L140 HydrophobicContact CB-CB 4Å; M137-L140 HydrophobicContact CB-CD2 4.33Å; M137-L140 WeakPolarHBondContact O-CB 3.5Å; M137-L140 PolarHBondContact O-N 3.28Å; M137-L140 HydrophobicContact SD-CD2 3.78Å; M137-W200 HydrophobicContact CB-CD2 4Å; M137-W200 HydrophobicContact CB-CE3 3.76Å; M137-W200 HydrophobicContact CB-CH2 3.88Å; M137-W200 HydrophobicContact CB-CZ2 4.1Å; M137-W200 HydrophobicContact CB-CZ3 3.72Å; M137-W200 HydrophobicContact CG-CE3 4.5Å; M137-W200 HydrophobicContact CG-CZ3 4.27Å; M137-W200 PolarHBondContact O-NE1 2.81Å; M137-W200 HydrophobicContact SD-CH2 4.34Å; M137-W200 HydrophobicContact SD-CZ3 4.12Å
138	R	94.9	Very high	93.6	Very high	43 Å²	43	29.6 Å²	29.6	16%	0.162	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-12.9	-170.2	60.8	161.9	169.2	-112.5	-1.7	117.2	E102 P136 E205 N206	E102-R138 WeakPolarHBondContact O-CG 3.41Å; E102-R138 IonicContact OE2-CZ 2.67Å; E102-R138 IonicContact OE2-NH1 3.86Å; E102-R138 IonicContact OE2-NH2 2.82Å; E102-R138 PolarHBondContact OE2-NH2 3.29Å; P136-R138 PolarHBondContact O-N 2.87Å; R138-E205 WeakPolarHBondContact CD-O 3.49Å; R138-N206 WeakPolarHBondContact CD-OD1 3.26Å; R138-N206 PolarHBondContact NH1-OD1 2.04Å
139	N	96.9	Very high	94.1	Very high	24 Å²	24	26.2 Å²	26.2	13%	0.128	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.4	-4.9	176.5	-75.7	-54.3	0	0	0	113.7	E102 L104 Q105 M137 Q141 K209	E102-N139 PolarHBondContact O-ND2 3.46Å; L104-N139 CarbonylContact O-C 3.18Å; Q105-N139 WeakPolarHBondContact CA-O 3.36Å; Q105-N139 HydrophobicContact CG-CB 4.28Å; M137-N139 PolarHBondContact O-N 2.98Å; N139-Q141 PolarHBondContact O-N 2.89Å; N139-Q141 VanDerWaalsContact O-N 3.12Å; N139-Q141 PolarHBondContact O-NE2 3.18Å; N139-K209 PolarHBondContact OD1-NZ 3.46Å
140	L	97.8	Very high	94.7	Very high	3 Å²	3	20.9 Å²	20.9	2%	0.016	10%	0.1	C	C	.	.			trans	-72.4	107.7	-177.2	177.6	58.7	0	0	0	109.7	L104 I107 L119 M137 I143 I167 W200	L104-L140 HydrophobicContact CG-CD1 4.43Å; L104-L140 WeakPolarHBondContact O-CA 3.28Å; L104-L140 PolarHBondContact O-N 2.66Å; I107-L140 HydrophobicContact CD1-CD1 4.37Å; I107-L140 HydrophobicContact CD1-CD2 4.3Å; I107-L140 HydrophobicContact CG1-CD1 4.14Å; L119-L140 HydrophobicContact CD2-CD2 4.45Å; M137-L140 HydrophobicContact CB-CB 4Å; M137-L140 HydrophobicContact CB-CD2 4.33Å; M137-L140 WeakPolarHBondContact O-CB 3.5Å; M137-L140 PolarHBondContact O-N 3.28Å; M137-L140 HydrophobicContact SD-CD2 3.78Å; L140-I143 HydrophobicContact CD1-CG1 4.36Å; L140-I167 HydrophobicContact CG-CG2 4.23Å; L140-I167 WeakPolarHBondContact O-CD1 2.97Å; L140-W200 HydrophobicContact CB-CZ2 4.28Å; L140-W200 HydrophobicContact CD2-CH2 4.19Å
141	Q	96.3	Very high	95	Very high	12 Å²	12	19 Å²	19	6%	0.056	9%	0.09	C	C	.	.			trans	-121.5	-16.6	-172.4	-76.7	156.7	87.3	0	0	112.7	Q105 N139 I167 K209 T211 R222 A238	Q105-Q141 PolarHBondContact O-N 2.84Å; Q105-Q141 VanDerWaalsContact O-N 3.1Å; N139-Q141 PolarHBondContact O-N 2.89Å; N139-Q141 VanDerWaalsContact O-N 3.12Å; N139-Q141 PolarHBondContact O-NE2 3.18Å; Q141-I167 WeakPolarHBondContact O-CA 3.15Å; Q141-K209 HydrophobicContact CG-CB 4.44Å; Q141-T211 VanDerWaalsContact OE1-CG2 3.28Å; Q141-R222 PolarHBondContact O-NH1 3Å; Q141-R222 PolarHBondContact O-NH2 2.87Å; Q141-A238 HydrophobicContact CB-CB 3.92Å; Q141-A238 PolarHBondContact OE1-O 2.78Å
142	E	97.1	Very high	95	Very high	17 Å²	17	21.2 Å²	21.2	8%	0.079	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	130.2	-179.4	-174	68.7	-88.1	0	0	112.5	Q105 I106 I107 L144 I167 K212 R222 A237	Q105-E142 PolarHBondContact O-N 3.32Å; I106-E142 WeakPolarHBondContact CA-O 3.06Å; I106-E142 HydrophobicContact CD1-CB 4.37Å; I106-E142 HydrophobicContact CD1-CG 4.17Å; I106-E142 HydrophobicContact CG1-CB 4.05Å; I106-E142 HydrophobicContact CG1-CG 4.17Å; I107-E142 PolarHBondContact N-O 3.49Å; E142-L144 HydrophobicContact CG-CD2 3.54Å; E142-L144 HydrophobicContact CG-CG 3.89Å; E142-I167 CarbonylContact C-O 3.49Å; E142-I167 WeakPolarHBondContact CA-O 3.27Å; E142-I167 VanDerWaalsContact OE1-O 3.14Å; E142-K212 IonicContact OE1-NZ 3.74Å; E142-R222 IonicContact OE1-NH2 3.32Å; E142-R222 PolarHBondContact OE1-NH2 2.82Å; E142-R222 IonicContact OE2-CZ 3.38Å; E142-R222 IonicContact OE2-NE 2.7Å; E142-R222 PolarHBondContact OE2-NE 3.38Å; E142-R222 IonicContact OE2-NH2 3.44Å; E142-R222 PolarHBondContact OE2-NH2 2.94Å; E142-A237 HydrophobicContact CG-CB 4.28Å
143	I	97.5	Very high	94.9	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	99.3	162.2	-63.8	175.5	0	0	0	106.2	I107 A118 L119 L140 H145 V148 W164 I167 V168 S169	I107-I143 HydrophobicContact CB-CG1 4.21Å; I107-I143 HydrophobicContact CD1-CD1 4.19Å; I107-I143 HydrophobicContact CD1-CG1 4.26Å; I107-I143 HydrophobicContact CG1-CG1 4.49Å; I107-I143 WeakPolarHBondContact O-CA 3.5Å; A118-I143 HydrophobicContact CB-CG2 3.88Å; L119-I143 HydrophobicContact CB-CD1 4.37Å; L140-I143 HydrophobicContact CD1-CG1 4.36Å; I143-H145 PolarHBondContact O-N 3.38Å; I143-V148 HydrophobicContact CD1-CG2 3.75Å; I143-W164 HydrophobicContact CD1-CZ3 4.26Å; I143-I167 HydrophobicContact CB-CG2 4.33Å; I143-I167 HydrophobicContact CD1-CG2 3.88Å; I143-I167 HydrophobicContact CG1-CG2 3.72Å; I143-I167 PolarHBondContact N-O 3.02Å; I143-V168 HydrophobicContact CB-CG2 4.45Å; I143-V168 HydrophobicContact CD1-CG2 4.34Å; I143-S169 PolarHBondContact O-N 2.95Å
144	L	93.3	Very high	94.8	Very high	25 Å²	25	20 Å²	20	13%	0.131	10%	0.098	C	C	.	.			trans	-64	-43.7	-171	-68.5	175.4	0	0	0	111.9	I106 I107 R108 E142 R252	I106-L144 HydrophobicContact CD1-CD1 3.93Å; I106-L144 HydrophobicContact CD1-CG 4.05Å; I107-L144 PolarHBondContact O-N 3.03Å; R108-L144 HydrophobicContact CB-CD1 4.18Å; R108-L144 HydrophobicContact CG-CD1 4.12Å; E142-L144 HydrophobicContact CG-CD2 3.54Å; E142-L144 HydrophobicContact CG-CG 3.89Å; L144-R252 HydrophobicContact CD2-CG 4.2Å
145	H	93.5	Very high	94.7	Very high	67 Å²	67	18.1 Å²	18.1	31%	0.31	9%	0.093	S	C	.	.	S	Bend	trans	-140.7	148.7	-174.7	-57.9	-56.3	0	0	0	110.3	R108 Y112 A118 I143 F172	R108-H145 PolarHBondContact O-CD2 2.95Å; Y112-H145 HydrophobicContact CE1-CB 4.17Å; A118-H145 WeakPolarHBondContact CB-O 3.05Å; I143-H145 PolarHBondContact O-N 3.38Å; H145-F172 HydrophobicContact CB-CE2 4.36Å; H145-F172 HydrophobicContact CB-CZ 4.28Å
146	G	92.7	Very high	94.5	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.095	C	C	.	.	S	Bend	trans	86.2	155.6	179.8	0	0	0	0	0	114.2	Y112	Y112-G146 VanDerWaalsContact CE1-CA 3.47Å
147	A	94.6	Very high	94.3	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	-179.9	-178.8	0	0	0	0	0	112.8	S116 Y117 A118 L119 F172 N175 M176	S116-A147 WeakPolarHBondContact O-CB 3.39Å; S116-A147 PolarHBondContact O-N 2.03Å; Y117-A147 CarbonylContact C-O 3.54Å; Y117-A147 VanDerWaalsContact CA-O 3.31Å; Y117-A147 WeakPolarHBondContact CA-O 3.35Å; Y117-A147 HydrophobicContact CD1-CB 3.95Å; Y117-A147 HydrophobicContact CE1-CB 4.33Å; A118-A147 PolarHBondContact N-O 3.08Å; L119-A147 PolarHBondContact N-O 3.35Å; A147-F172 HydrophobicContact CB-CB 4.21Å; A147-N175 HydrophobicContact CB-CB 3.86Å; A147-N175 WeakPolarHBondContact CB-O 3.18Å; A147-M176 HydrophobicContact CB-CG 4.45Å
148	V	97.1	Very high	94	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	136.7	-179.8	179	0	0	0	0	109.9	L119 I143 F150 W164 V168 M176 S177	L119-V148 HydrophobicContact CB-CG1 4.37Å; L119-V148 HydrophobicContact CB-CG2 4.38Å; L119-V148 HydrophobicContact CD2-CG1 4.14Å; L119-V148 HydrophobicContact CG-CG1 4.36Å; L119-V148 CarbonylContact O-C 3.6Å; L119-V148 WeakPolarHBondContact O-CA 3.29Å; I143-V148 HydrophobicContact CD1-CG2 3.75Å; V148-F150 HydrophobicContact CG1-CD2 3.8Å; V148-F150 HydrophobicContact CG1-CE2 3.57Å; V148-W164 HydrophobicContact CB-CE3 4.45Å; V148-W164 HydrophobicContact CG1-CD2 4.39Å; V148-W164 HydrophobicContact CG1-CE3 4.13Å; V148-W164 HydrophobicContact CG1-CH2 3.94Å; V148-W164 HydrophobicContact CG1-CZ2 4.2Å; V148-W164 HydrophobicContact CG1-CZ3 3.9Å; V148-W164 HydrophobicContact CG2-CE3 3.89Å; V148-W164 HydrophobicContact CG2-CZ3 3.94Å; V148-V168 HydrophobicContact CG2-CG2 3.72Å; V148-M176 HydrophobicContact CB-CG 4.42Å; V148-M176 HydrophobicContact CB-SD 4.4Å; V148-M176 VanDerWaalsContact O-CA 3.31Å; V148-M176 WeakPolarHBondContact O-CA 3.45Å; V148-S177 PolarHBondContact O-N 3.01Å
149	R	96.3	Very high	93.9	Very high	53 Å²	53	17 Å²	17	20%	0.2	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	129.6	175	-173.4	171.3	176.1	-168.9	0.7	113.2	E114 Y117 L119 A120 V121 L122 S177	E114-R149 IonicContact OE1-NH1 3.74Å; E114-R149 IonicContact OE2-CZ 2.79Å; E114-R149 IonicContact OE2-NH1 2.68Å; E114-R149 PolarHBondContact OE2-NH1 2.66Å; Y117-R149 HydrophobicContact CD1-CB 3.63Å; Y117-R149 HydrophobicContact CD2-CB 4.39Å; Y117-R149 HydrophobicContact CE1-CB 3.77Å; Y117-R149 HydrophobicContact CE1-CG 4.4Å; Y117-R149 HydrophobicContact CG-CB 3.95Å; L119-R149 PolarHBondContact O-N 3.34Å; A120-R149 CarbonylContact C-O 3.57Å; A120-R149 WeakPolarHBondContact CA-O 3.34Å; V121-R149 PolarHBondContact N-O 3.19Å; L122-R149 HydrophobicContact CD2-CG 3.88Å; R149-S177 CarbonylContact C-O 3.53Å; R149-S177 WeakPolarHBondContact CA-O 3.45Å; R149-S177 WeakPolarHBondContact CG-O 3.35Å
150	F	95.9	Very high	93.6	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	129.2	167.7	-77.4	-97.8	0	0	0	108.5	L119 V121 L135 V148 L156 V159 W164 S177 M178 D179 F180	L119-F150 HydrophobicContact CD2-CE2 4.22Å; L119-F150 HydrophobicContact CD2-CZ 4.32Å; V121-F150 HydrophobicContact CB-CD1 3.64Å; V121-F150 HydrophobicContact CB-CE1 3.54Å; V121-F150 HydrophobicContact CB-CG 4.3Å; V121-F150 HydrophobicContact CB-CZ 4.14Å; V121-F150 HydrophobicContact CG1-CD1 4.06Å; V121-F150 HydrophobicContact CG1-CE1 3.9Å; V121-F150 HydrophobicContact CG2-CD1 4.09Å; V121-F150 HydrophobicContact CG2-CE1 3.49Å; V121-F150 VanDerWaalsContact CG2-CE1 3.49Å; V121-F150 HydrophobicContact CG2-CE2 4.33Å; V121-F150 HydrophobicContact CG2-CZ 3.62Å; V121-F150 WeakPolarHBondContact O-CA 3.19Å; L135-F150 HydrophobicContact CD2-CE1 4.19Å; L135-F150 HydrophobicContact CD2-CZ 4.42Å; V148-F150 HydrophobicContact CG1-CD2 3.8Å; V148-F150 HydrophobicContact CG1-CE2 3.57Å; F150-L156 HydrophobicContact CD1-CD2 3.68Å; F150-L156 HydrophobicContact CE1-CD2 3.75Å; F150-V159 HydrophobicContact CD1-CG1 4.44Å; F150-V159 HydrophobicContact CE1-CG1 3.72Å; F150-V159 HydrophobicContact CE2-CG1 4.26Å; F150-V159 HydrophobicContact CZ-CG1 3.62Å; F150-W164 HydrophobicContact CD2-CZ2 4.37Å; F150-W164 AromaticContact CE2-CH2 3.74Å; F150-W164 HydrophobicContact CE2-CH2 3.74Å; F150-W164 AromaticContact CE2-CZ2 3.47Å; F150-W164 HydrophobicContact CE2-CZ2 3.47Å; F150-W164 VanDerWaalsContact CE2-CZ2 3.47Å; F150-W164 HydrophobicContact CZ-CH2 4.13Å; F150-W164 AromaticContact CZ-CZ2 3.96Å; F150-W164 HydrophobicContact CZ-CZ2 3.96Å; F150-S177 PolarHBondContact N-O 3.18Å; F150-M178 HydrophobicContact CB-CG 4.5Å; F150-M178 HydrophobicContact CD2-CG 4.46Å; F150-M178 WeakPolarHBondContact O-CA 3.36Å; F150-D179 PolarHBondContact O-N 3.33Å; F150-F180 HydrophobicContact CB-CE1 3.83Å; F150-F180 HydrophobicContact CB-CZ 3.88Å; F150-F180 AromaticContact CD1-CE1 3.76Å; F150-F180 HydrophobicContact CD1-CE1 3.76Å; F150-F180 HydrophobicContact CD1-CZ 4.19Å; F150-F180 HydrophobicContact CD2-CZ 4.15Å; F150-F180 AromaticContact CG-CE1 3.79Å; F150-F180 HydrophobicContact CG-CE1 3.79Å; F150-F180 AromaticContact CG-CZ 3.8Å; F150-F180 HydrophobicContact CG-CZ 3.8Å
151	S	93.6	Very high	93.4	Very high	23 Å²	23	21.1 Å²	21.1	16%	0.161	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	140.2	178	177.5	0	0	0	0	111.1	V121 L122 S123 N153	V121-S151 PolarHBondContact O-N 3.4Å; V121-S151 VanDerWaalsContact O-N 3.08Å; L122-S151 WeakPolarHBondContact CA-O 3.44Å; S123-S151 PolarHBondContact N-O 2.73Å; S151-N153 PolarHBondContact N-ND2 3.48Å; S151-N153 PolarHBondContact O-N 2.87Å; S151-N153 PolarHBondContact O-ND2 2.03Å; S151-N153 VanDerWaalsContact O-ND2 3.09Å
152	N	90.8	Very high	93.4	Very high	55 Å²	55	21.1 Å²	21.1	29%	0.294	11%	0.113	S	C	.	.	S	Bend	trans	54.5	47	176.1	-57.1	-17.2	0	0	0	114.3	S123 Y125 P154	S123-N152 WeakPolarHBondContact CA-O 3.49Å; S123-N152 PolarHBondContact N-O 2.87Å; Y125-N152 WeakPolarHBondContact CD1-O 3.28Å; Y125-N152 HydrophobicContact CE1-CB 3.94Å; N152-P154 WeakPolarHBondContact O-CD 3.38Å
153	N	91.6	Very high	93.3	Very high	7 Å²	7	22.9 Å²	22.9	4%	0.037	12%	0.121	C	C	.	.			trans	-113.9	71.1	173.8	-53.2	-71.6	0	0	0	110.5	V121 N124 S151 A155 L156	V121-N153 PolarHBondContact O-ND2 2.97Å; N124-N153 WeakPolarHBondContact CB-OD1 3.43Å; N124-N153 PolarHBondContact N-OD1 3.39Å; N124-N153 PolarHBondContact ND2-OD1 3.09Å; S151-N153 PolarHBondContact N-ND2 3.48Å; S151-N153 PolarHBondContact O-N 2.87Å; S151-N153 PolarHBondContact O-ND2 2.03Å; S151-N153 VanDerWaalsContact O-ND2 3.09Å; N153-A155 PolarHBondContact O-N 3.49Å; N153-A155 VanDerWaalsContact O-N 3.09Å; N153-L156 HydrophobicContact CB-CB 3.78Å; N153-L156 HydrophobicContact CB-CD2 4.06Å; N153-L156 WeakPolarHBondContact O-CB 3.38Å; N153-L156 PolarHBondContact O-N 3.23Å; N153-L156 VanDerWaalsContact O-N 3.12Å
154	P	89.1	Confident	93.2	Very high	23 Å²	23	23.4 Å²	23.4	15%	0.149	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-9.8	-167.8	28.4	-38.2	0	0	0	115.7	Y125 K129 N152	Y125-P154 HydrophobicContact CD1-CG 4.24Å; Y125-P154 HydrophobicContact CD2-CG 4.39Å; Y125-P154 HydrophobicContact CG-CG 3.87Å; K129-P154 HydrophobicContact CB-CB 4.44Å; K129-P154 HydrophobicContact CB-CG 4.1Å; N152-P154 WeakPolarHBondContact O-CD 3.38Å
155	A	89.8	Confident	93.2	Very high	25 Å²	25	31.4 Å²	31.4	21%	0.207	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.8	-7.6	177	0	0	0	0	0	113.5	L132 K133 N153	L132-A155 CarbonylContact O-C 3.11Å; K133-A155 VanDerWaalsContact CA-O 3.28Å; K133-A155 WeakPolarHBondContact CA-O 3.44Å; K133-A155 WeakPolarHBondContact CG-O 3.44Å; N153-A155 PolarHBondContact O-N 3.49Å; N153-A155 VanDerWaalsContact O-N 3.09Å
156	L	92.6	Very high	93.3	Very high	7 Å²	7	28.2 Å²	28.2	4%	0.037	14%	0.137	C	C	.	.			trans	-73	128	-171.4	-177.3	67.4	0	0	0	111.4	L132 L135 F150 N153 V159 F180	L132-L156 HydrophobicContact CG-CD1 4.3Å; L132-L156 WeakPolarHBondContact O-CA 3.47Å; L132-L156 PolarHBondContact O-N 3.23Å; L135-L156 HydrophobicContact CB-CD1 3.98Å; F150-L156 HydrophobicContact CD1-CD2 3.68Å; F150-L156 HydrophobicContact CE1-CD2 3.75Å; N153-L156 HydrophobicContact CB-CB 3.78Å; N153-L156 HydrophobicContact CB-CD2 4.06Å; N153-L156 WeakPolarHBondContact O-CB 3.38Å; N153-L156 PolarHBondContact O-N 3.23Å; N153-L156 VanDerWaalsContact O-N 3.12Å; L156-V159 HydrophobicContact CD1-CG2 3.99Å; L156-V159 HydrophobicContact CD2-CB 4.2Å; L156-V159 HydrophobicContact CD2-CG2 4.26Å; L156-V159 HydrophobicContact CG-CB 4.41Å; L156-V159 HydrophobicContact CG-CG2 4.19Å; L156-F180 HydrophobicContact CD2-CE1 4.19Å
157	C	91.2	Very high	93.5	Very high	4 Å²	4	28.2 Å²	28.2	3%	0.027	14%	0.137	C	C	.	.			trans	-110.4	156.1	-179.6	-62.3	0	0	0	0	112.6	K133 V159 C187	K133-C157 PolarHBondContact O-N 3.05Å; C157-V159 PolarHBondContact O-N 3.3Å; C157-C187 VanDerWaalsContact CA-SG 3.57Å; C157-C187 HydrophobicContact CB-CB 3.68Å; C157-C187 WeakPolarHBondContact CB-SG 3.19Å; C157-C187 WeakPolarHBondContact SG-CA 3.35Å; C157-C187 WeakPolarHBondContact SG-CB 3.03Å; C157-C187 CovalentContact SG-SG 2.04Å; C157-C187 PolarHBondContact SG-SG 3.21Å
158	N	92	Very high	93.5	Very high	13 Å²	13	28.3 Å²	28.3	7%	0.07	14%	0.137	C	C	.	.	S	Bend	trans	66.8	-31.5	168.7	-54.6	104.9	0	0	0	116.8	E160 S161 Q188 C199	N158-E160 WeakPolarHBondContact CA-OE1 3.3Å; N158-E160 WeakPolarHBondContact CA-OE2 3.25Å; N158-E160 VanDerWaalsContact N-CD 3.34Å; N158-E160 PolarHBondContact N-OE1 3.17Å; N158-E160 VanDerWaalsContact N-OE1 3.08Å; N158-E160 PolarHBondContact N-OE2 3.3Å; N158-E160 PolarHBondContact O-N 2.89Å; N158-E160 VanDerWaalsContact O-N 3.15Å; N158-S161 VanDerWaalsContact O-CB 3.27Å; N158-S161 WeakPolarHBondContact O-CB 3.31Å; N158-S161 PolarHBondContact O-N 3.27Å; N158-S161 PolarHBondContact O-OG 2.79Å; N158-Q188 PolarHBondContact ND2-O 2.98Å; N158-C199 CarbonylContact C-O 3.53Å
159	V	93	Very high	93.1	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-60.7	-26	-177.8	-175.7	0	0	0	0	112.7	L135 F150 L156 C157 S161 I162 W164 F180 W200	L135-V159 HydrophobicContact CB-CG2 4.28Å; F150-V159 HydrophobicContact CD1-CG1 4.44Å; F150-V159 HydrophobicContact CE1-CG1 3.72Å; F150-V159 HydrophobicContact CE2-CG1 4.26Å; F150-V159 HydrophobicContact CZ-CG1 3.62Å; L156-V159 HydrophobicContact CD1-CG2 3.99Å; L156-V159 HydrophobicContact CD2-CB 4.2Å; L156-V159 HydrophobicContact CD2-CG2 4.26Å; L156-V159 HydrophobicContact CG-CB 4.41Å; L156-V159 HydrophobicContact CG-CG2 4.19Å; C157-V159 PolarHBondContact O-N 3.3Å; V159-S161 PolarHBondContact O-N 3.23Å; V159-I162 WeakPolarHBondContact O-CB 3.29Å; V159-I162 WeakPolarHBondContact O-CG1 3.49Å; V159-I162 PolarHBondContact O-N 2.92Å; V159-W164 HydrophobicContact CG1-CZ2 3.94Å; V159-F180 HydrophobicContact CB-CE1 4.39Å; V159-F180 HydrophobicContact CG1-CE1 4.33Å; V159-F180 HydrophobicContact CG1-CZ 4.35Å; V159-W200 HydrophobicContact CG1-CZ3 4.12Å; V159-W200 HydrophobicContact CG2-CE3 4.23Å
160	E	89.9	Confident	92.6	Very high	79 Å²	79	31.3 Å²	31.3	37%	0.369	17%	0.166	S	C	.	.	G	3₁₀ helix	trans	-60.6	-20	171.3	69.8	-76.3	178.1	0	0	113.9	N158 F180	N158-E160 WeakPolarHBondContact CA-OE1 3.3Å; N158-E160 WeakPolarHBondContact CA-OE2 3.25Å; N158-E160 VanDerWaalsContact N-CD 3.34Å; N158-E160 PolarHBondContact N-OE1 3.17Å; N158-E160 VanDerWaalsContact N-OE1 3.08Å; N158-E160 PolarHBondContact N-OE2 3.3Å; N158-E160 PolarHBondContact O-N 2.89Å; N158-E160 VanDerWaalsContact O-N 3.15Å; E160-F180 HydrophobicContact CB-CB 4.29Å; E160-F180 HydrophobicContact CB-CD1 4.19Å; E160-F180 HydrophobicContact CB-CD2 3.92Å; E160-F180 HydrophobicContact CB-CE1 4.49Å; E160-F180 HydrophobicContact CB-CE2 4.23Å; E160-F180 HydrophobicContact CB-CG 3.9Å
161	S	93.3	Very high	92.2	Very high	34 Å²	34	37.6 Å²	37.6	24%	0.238	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-84	-10.8	178.3	76.2	0	0	0	0	114.2	N158 V159 S198 C199	N158-S161 VanDerWaalsContact O-CB 3.27Å; N158-S161 WeakPolarHBondContact O-CB 3.31Å; N158-S161 PolarHBondContact O-N 3.27Å; N158-S161 PolarHBondContact O-OG 2.79Å; V159-S161 PolarHBondContact O-N 3.23Å; S161-S198 WeakPolarHBondContact O-CB 3.32Å; S161-S198 PolarHBondContact O-OG 3.36Å; S161-C199 PolarHBondContact OG-N 3.07Å; S161-C199 PolarHBondContact OG-O 3.09Å
162	I	96.1	Very high	91.8	Very high	11 Å²	11	38.4 Å²	38.4	6%	0.056	20%	0.196	C	C	.	.			trans	-72.5	129.8	-168.7	-64.8	-61.4	0	0	0	112.6	V159 W164 I167 C199 W200 Q208	V159-I162 WeakPolarHBondContact O-CB 3.29Å; V159-I162 WeakPolarHBondContact O-CG1 3.49Å; V159-I162 PolarHBondContact O-N 2.92Å; I162-W164 VanDerWaalsContact C-N 3.3Å; I162-W164 HydrophobicContact CB-CZ2 4.44Å; I162-W164 HydrophobicContact CG2-CD2 3.95Å; I162-W164 HydrophobicContact CG2-CE3 4.48Å; I162-W164 HydrophobicContact CG2-CG 4.19Å; I162-W164 HydrophobicContact CG2-CZ2 4.18Å; I162-W164 PolarHBondContact O-N 3.3Å; I162-I167 HydrophobicContact CG2-CD1 3.76Å; I162-C199 WeakPolarHBondContact CD1-O 3.45Å; I162-W200 HydrophobicContact CD1-CD2 3.64Å; I162-W200 HydrophobicContact CD1-CE3 4.26Å; I162-W200 HydrophobicContact CD1-CG 3.78Å; I162-W200 HydrophobicContact CD1-CZ2 4.21Å; I162-W200 HydrophobicContact CG1-CD2 3.98Å; I162-W200 HydrophobicContact CG1-CE3 4.09Å; I162-W200 HydrophobicContact CG1-CH2 4.35Å; I162-W200 HydrophobicContact CG1-CZ2 4.26Å; I162-W200 HydrophobicContact CG1-CZ3 4.26Å; I162-W200 HydrophobicContact CG2-CH2 4.27Å; I162-W200 HydrophobicContact CG2-CZ2 4.03Å; I162-Q208 HydrophobicContact CD1-CB 4.15Å; I162-Q208 HydrophobicContact CD1-CG 4.4Å
163	Q	95.6	Very high	91.6	Very high	54 Å²	54	38.1 Å²	38.1	25%	0.252	19%	0.194	S	C	.	.			trans	-80.7	75	176	-45.1	-152.8	-60.6	0	0	110.2	R165 D166 N196 S198 Q208 L210 I213	Q163-R165 PolarHBondContact O-N 2.71Å; Q163-D166 PolarHBondContact O-N 3.45Å; Q163-N196 PolarHBondContact NE2-ND2 3.07Å; Q163-N196 PolarHBondContact OE1-ND2 3.32Å; Q163-S198 WeakPolarHBondContact CG-OG 3.35Å; Q163-Q208 PolarHBondContact O-NE2 3.25Å; Q163-Q208 VanDerWaalsContact O-NE2 3.16Å; Q163-L210 HydrophobicContact CB-CD2 4.44Å; Q163-I213 HydrophobicContact CB-CD1 4.41Å
164	W	95.2	Very high	91.1	Very high	12 Å²	12	42.5 Å²	42.5	5%	0.045	23%	0.226	C	C	.	.	H	α-helix	trans	-54.2	-20.3	-178.1	-67.4	98.2	0	0	0	114.9	L119 I143 V148 F150 V159 I162 D166 I167 V168 M176 M178 W200	L119-W164 HydrophobicContact CD2-CH2 3.66Å; L119-W164 HydrophobicContact CD2-CZ3 3.92Å; I143-W164 HydrophobicContact CD1-CZ3 4.26Å; V148-W164 HydrophobicContact CB-CE3 4.45Å; V148-W164 HydrophobicContact CG1-CD2 4.39Å; V148-W164 HydrophobicContact CG1-CE3 4.13Å; V148-W164 HydrophobicContact CG1-CH2 3.94Å; V148-W164 HydrophobicContact CG1-CZ2 4.2Å; V148-W164 HydrophobicContact CG1-CZ3 3.9Å; V148-W164 HydrophobicContact CG2-CE3 3.89Å; V148-W164 HydrophobicContact CG2-CZ3 3.94Å; F150-W164 HydrophobicContact CD2-CZ2 4.37Å; F150-W164 AromaticContact CE2-CH2 3.74Å; F150-W164 HydrophobicContact CE2-CH2 3.74Å; F150-W164 AromaticContact CE2-CZ2 3.47Å; F150-W164 HydrophobicContact CE2-CZ2 3.47Å; F150-W164 VanDerWaalsContact CE2-CZ2 3.47Å; F150-W164 HydrophobicContact CZ-CH2 4.13Å; F150-W164 AromaticContact CZ-CZ2 3.96Å; F150-W164 HydrophobicContact CZ-CZ2 3.96Å; V159-W164 HydrophobicContact CG1-CZ2 3.94Å; I162-W164 VanDerWaalsContact C-N 3.3Å; I162-W164 HydrophobicContact CB-CZ2 4.44Å; I162-W164 HydrophobicContact CG2-CD2 3.95Å; I162-W164 HydrophobicContact CG2-CE3 4.48Å; I162-W164 HydrophobicContact CG2-CG 4.19Å; I162-W164 HydrophobicContact CG2-CZ2 4.18Å; I162-W164 PolarHBondContact O-N 3.3Å; W164-D166 PolarHBondContact O-N 3.27Å; W164-I167 HydrophobicContact CE3-CB 4.43Å; W164-I167 HydrophobicContact CE3-CD1 4.13Å; W164-I167 HydrophobicContact CE3-CG2 4.48Å; W164-I167 HydrophobicContact CZ3-CD1 4.29Å; W164-I167 PolarHBondContact O-N 3.49Å; W164-V168 HydrophobicContact CB-CG2 4.43Å; W164-V168 HydrophobicContact CE3-CG2 4.18Å; W164-V168 PolarHBondContact O-N 3.41Å; W164-M176 HydrophobicContact CB-CE 4.43Å; W164-M176 HydrophobicContact CB-SD 4.14Å; W164-M178 HydrophobicContact CG-SD 4.4Å; W164-W200 AromaticContact CH2-CH2 3.61Å; W164-W200 HydrophobicContact CH2-CH2 3.61Å; W164-W200 HydrophobicContact CH2-CZ3 4.13Å; W164-W200 HydrophobicContact CZ2-CH2 4.1Å; W164-W200 HydrophobicContact CZ2-CZ3 4.37Å; W164-W200 HydrophobicContact CZ3-CH2 4.18Å
165	R	93.9	Very high	90.8	Very high	193 Å²	193	45.5 Å²	45.5	73%	0.728	24%	0.24	S	C	*	.	H	α-helix	trans	-62.9	-22.1	173.5	-62.2	-174.8	-176.2	177.9	1.7	114.2	Q163 L173 I213	Q163-R165 PolarHBondContact O-N 2.71Å; R165-L173 HydrophobicContact CG-CD1 4.21Å; R165-L173 HydrophobicContact CG-CD2 4.43Å; R165-I213 HydrophobicContact CB-CG2 4.32Å
166	D	95.7	Very high	90.7	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-81.7	-28.5	172.3	-160.9	89.3	0	0	0	111.9	Q163 W164 L210 T211 K212 I213 R222	Q163-D166 PolarHBondContact O-N 3.45Å; W164-D166 PolarHBondContact O-N 3.27Å; D166-L210 HydrophobicContact CB-CD2 3.74Å; D166-L210 WeakPolarHBondContact OD2-CA 3.38Å; D166-T211 PolarHBondContact OD1-N 2.91Å; D166-T211 PolarHBondContact OD2-N 3.32Å; D166-K212 WeakPolarHBondContact O-CD 3.28Å; D166-K212 WeakPolarHBondContact OD1-CA 3.41Å; D166-K212 WeakPolarHBondContact OD1-CB 3.41Å; D166-K212 PolarHBondContact OD1-N 2.87Å; D166-I213 HydrophobicContact CB-CD1 4.37Å; D166-I213 HydrophobicContact CB-CG1 4.34Å; D166-I213 HydrophobicContact CB-CG2 4.03Å; D166-I213 WeakPolarHBondContact OD1-CG1 3.49Å; D166-I213 PolarHBondContact OD1-N 2.69Å; D166-R222 PolarHBondContact O-NH1 3.01Å; D166-R222 PolarHBondContact O-NH2 2.96Å; D166-R222 IonicContact OD2-NH1 3.4Å; D166-R222 PolarHBondContact OD2-NH1 2.67Å
167	I	96.4	Very high	90.4	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-89.3	-50.9	-172.9	-59.3	174	0	0	0	111.4	L140 Q141 E142 I143 I162 W164 W200	L140-I167 HydrophobicContact CG-CG2 4.23Å; L140-I167 WeakPolarHBondContact O-CD1 2.97Å; Q141-I167 WeakPolarHBondContact O-CA 3.15Å; E142-I167 CarbonylContact C-O 3.49Å; E142-I167 WeakPolarHBondContact CA-O 3.27Å; E142-I167 VanDerWaalsContact OE1-O 3.14Å; I143-I167 HydrophobicContact CB-CG2 4.33Å; I143-I167 HydrophobicContact CD1-CG2 3.88Å; I143-I167 HydrophobicContact CG1-CG2 3.72Å; I143-I167 PolarHBondContact N-O 3.02Å; I162-I167 HydrophobicContact CG2-CD1 3.76Å; W164-I167 HydrophobicContact CE3-CB 4.43Å; W164-I167 HydrophobicContact CE3-CD1 4.13Å; W164-I167 HydrophobicContact CE3-CG2 4.48Å; W164-I167 HydrophobicContact CZ3-CD1 4.29Å; W164-I167 PolarHBondContact O-N 3.49Å; I167-W200 HydrophobicContact CD1-CH2 4.35Å; I167-W200 HydrophobicContact CD1-CZ2 3.72Å
168	V	94.6	Very high	90.1	Very high	1 Å²	1	52.1 Å²	52.1	1%	0.006	27%	0.274	C	S	.	.	B	Isolated β-bridge	trans	-87.7	151.8	-169.9	-167.5	0	0	0	0	111.3	I143 V148 W164 F172 L173 M176 K212	I143-V168 HydrophobicContact CB-CG2 4.45Å; I143-V168 HydrophobicContact CD1-CG2 4.34Å; V148-V168 HydrophobicContact CG2-CG2 3.72Å; W164-V168 HydrophobicContact CB-CG2 4.43Å; W164-V168 HydrophobicContact CE3-CG2 4.18Å; W164-V168 PolarHBondContact O-N 3.41Å; V168-F172 HydrophobicContact CG1-CB 4.06Å; V168-L173 HydrophobicContact CB-CD2 4.11Å; V168-M176 HydrophobicContact CG2-SD 4.28Å; V168-K212 PolarHBondContact O-NZ 2.04Å
169	S	88.8	Confident	89.6	Confident	21 Å²	21	54.4 Å²	54.4	15%	0.147	29%	0.286	C	S	.	.			trans	-62.2	142.4	164.2	175.2	0	0	0	0	111.2	I143 E171 F172	I143-S169 PolarHBondContact O-N 2.95Å; S169-E171 PolarHBondContact O-N 3.45Å; S169-E171 VanDerWaalsContact O-N 3.12Å; S169-E171 PolarHBondContact OG-OE2 3.22Å; S169-F172 PolarHBondContact O-N 3.1Å
170	S	85.6	Confident	88.9	Confident	95 Å²	95	57.1 Å²	57.1	66%	0.664	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-59.1	-25.9	-178.4	42.5	0	0	0	0	113.7	F172 L173	S170-F172 VanDerWaalsContact C-N 3.28Å; S170-F172 PolarHBondContact O-N 2.94Å; S170-L173 PolarHBondContact O-N 3.3Å
171	E	86.5	Confident	87.8	Confident	133 Å²	133	58 Å²	58	62%	0.621	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-63.8	-29.1	179.9	-61.7	161.2	147.1	0	0	113.2	S169	S169-E171 PolarHBondContact O-N 3.45Å; S169-E171 VanDerWaalsContact O-N 3.12Å; S169-E171 PolarHBondContact OG-OE2 3.22Å
172	F	86.3	Confident	86.2	Confident	39 Å²	39	59.4 Å²	59.4	17%	0.171	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-103.5	-1.6	-175	-58.1	-85.7	0	0	0	113.4	H145 A147 V168 S169 S170 S174 N175	H145-F172 HydrophobicContact CB-CE2 4.36Å; H145-F172 HydrophobicContact CB-CZ 4.28Å; A147-F172 HydrophobicContact CB-CB 4.21Å; V168-F172 HydrophobicContact CG1-CB 4.06Å; S169-F172 PolarHBondContact O-N 3.1Å; S170-F172 VanDerWaalsContact C-N 3.28Å; S170-F172 PolarHBondContact O-N 2.94Å; F172-S174 VanDerWaalsContact C-N 3.26Å; F172-S174 PolarHBondContact O-N 3.48Å; F172-N175 PolarHBondContact O-N 3.15Å
173	L	86	Confident	84.2	Confident	49 Å²	49	65.3 Å²	65.3	26%	0.257	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-63.5	-29.7	-179	-67.1	177.3	0	0	0	113	R165 V168 S170 N175 M176	R165-L173 HydrophobicContact CG-CD1 4.21Å; R165-L173 HydrophobicContact CG-CD2 4.43Å; V168-L173 HydrophobicContact CB-CD2 4.11Å; S170-L173 PolarHBondContact O-N 3.3Å; L173-N175 PolarHBondContact O-N 3.04Å; L173-M176 HydrophobicContact CB-CE 4.34Å; L173-M176 HydrophobicContact CD2-CE 3.57Å; L173-M176 HydrophobicContact CD2-SD 3.85Å
174	S	80.9	Confident	82	Confident	100 Å²	100	71 Å²	71	70%	0.699	37%	0.365	S	S	*	.	G	3₁₀ helix	trans	-69	-19.8	174.8	50.2	0	0	0	0	113.8	F172	F172-S174 VanDerWaalsContact C-N 3.26Å; F172-S174 PolarHBondContact O-N 3.48Å
175	N	83.1	Confident	80	Confident	85 Å²	85	73.8 Å²	73.8	46%	0.455	40%	0.398	S	S	.	.	G	3₁₀ helix	trans	-107.5	7.5	-172	-65.7	39.8	0	0	0	112	Y117 A147 F172 L173	Y117-N175 WeakPolarHBondContact CE1-O 3.41Å; A147-N175 HydrophobicContact CB-CB 3.86Å; A147-N175 WeakPolarHBondContact CB-O 3.18Å; F172-N175 PolarHBondContact O-N 3.15Å; L173-N175 PolarHBondContact O-N 3.04Å
176	M	88.1	Confident	78.7	Confident	46 Å²	46	69.2 Å²	69.2	23%	0.227	40%	0.395	C	S	.	.			trans	-74.3	139.1	174.6	-60.6	-169.7	-56.4	0	0	111	A147 V148 W164 V168 L173 M178	A147-M176 HydrophobicContact CB-CG 4.45Å; V148-M176 HydrophobicContact CB-CG 4.42Å; V148-M176 HydrophobicContact CB-SD 4.4Å; V148-M176 VanDerWaalsContact O-CA 3.31Å; V148-M176 WeakPolarHBondContact O-CA 3.45Å; W164-M176 HydrophobicContact CB-CE 4.43Å; W164-M176 HydrophobicContact CB-SD 4.14Å; V168-M176 HydrophobicContact CG2-SD 4.28Å; L173-M176 HydrophobicContact CB-CE 4.34Å; L173-M176 HydrophobicContact CD2-CE 3.57Å; L173-M176 HydrophobicContact CD2-SD 3.85Å; M176-M178 HydrophobicContact CB-CE 4.49Å; M176-M178 HydrophobicContact CE-CE 4.1Å
177	S	85.3	Confident	78.1	Confident	51 Å²	51	71.4 Å²	71.4	36%	0.357	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	105.9	179.9	178	0	0	0	0	109.1	V148 R149 F150	V148-S177 PolarHBondContact O-N 3.01Å; R149-S177 CarbonylContact C-O 3.53Å; R149-S177 WeakPolarHBondContact CA-O 3.45Å; R149-S177 WeakPolarHBondContact CG-O 3.35Å; F150-S177 PolarHBondContact N-O 3.18Å
178	M	84.9	Confident	77.7	Confident	78 Å²	78	77.7 Å²	77.7	38%	0.384	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	108.8	-172.1	-67.1	-176.5	-68.2	0	0	110.7	F150 W164 M176 F180	F150-M178 HydrophobicContact CB-CG 4.5Å; F150-M178 HydrophobicContact CD2-CG 4.46Å; F150-M178 WeakPolarHBondContact O-CA 3.36Å; W164-M178 HydrophobicContact CG-SD 4.4Å; M176-M178 HydrophobicContact CB-CE 4.49Å; M176-M178 HydrophobicContact CE-CE 4.1Å; M178-F180 HydrophobicContact CB-CD2 4.26Å; M178-F180 HydrophobicContact CB-CE2 3.77Å; M178-F180 HydrophobicContact CB-CZ 4.49Å; M178-F180 HydrophobicContact CG-CE2 4.24Å; M178-F180 HydrophobicContact SD-CE2 4.13Å; M178-F180 HydrophobicContact SD-CZ 4.48Å
179	D	81.5	Confident	77.4	Confident	61 Å²	61	86.9 Å²	86.9	33%	0.326	48%	0.48	S	S	.	.			trans	-113	116.4	169.6	175.5	31	0	0	0	109.6	F150 Q181	F150-D179 PolarHBondContact O-N 3.33Å; D179-Q181 WeakPolarHBondContact OD1-CG 3.22Å; D179-Q181 PolarHBondContact OD2-NE2 3.33Å
180	F	78.9	Confident	77.5	Confident	58 Å²	58	87.3 Å²	87.3	25%	0.254	48%	0.482	S	S	.	.			trans	-119.9	86.3	-178.6	-66.6	-71.8	0	0	0	109.8	F150 L156 V159 E160 M178 N182	F150-F180 HydrophobicContact CB-CE1 3.83Å; F150-F180 HydrophobicContact CB-CZ 3.88Å; F150-F180 AromaticContact CD1-CE1 3.76Å; F150-F180 HydrophobicContact CD1-CE1 3.76Å; F150-F180 HydrophobicContact CD1-CZ 4.19Å; F150-F180 HydrophobicContact CD2-CZ 4.15Å; F150-F180 AromaticContact CG-CE1 3.79Å; F150-F180 HydrophobicContact CG-CE1 3.79Å; F150-F180 AromaticContact CG-CZ 3.8Å; F150-F180 HydrophobicContact CG-CZ 3.8Å; L156-F180 HydrophobicContact CD2-CE1 4.19Å; V159-F180 HydrophobicContact CB-CE1 4.39Å; V159-F180 HydrophobicContact CG1-CE1 4.33Å; V159-F180 HydrophobicContact CG1-CZ 4.35Å; E160-F180 HydrophobicContact CB-CB 4.29Å; E160-F180 HydrophobicContact CB-CD1 4.19Å; E160-F180 HydrophobicContact CB-CD2 3.92Å; E160-F180 HydrophobicContact CB-CE1 4.49Å; E160-F180 HydrophobicContact CB-CE2 4.23Å; E160-F180 HydrophobicContact CB-CG 3.9Å; M178-F180 HydrophobicContact CB-CD2 4.26Å; M178-F180 HydrophobicContact CB-CE2 3.77Å; M178-F180 HydrophobicContact CB-CZ 4.49Å; M178-F180 HydrophobicContact CG-CE2 4.24Å; M178-F180 HydrophobicContact SD-CE2 4.13Å; M178-F180 HydrophobicContact SD-CZ 4.48Å; F180-N182 PolarHBondContact O-N 3.2Å; F180-N182 VanDerWaalsContact O-N 3.07Å
181	Q	67.4	Low	78	Confident	96 Å²	96	85.6 Å²	85.6	45%	0.449	47%	0.465	S	S	.	.			trans	-79.9	85.9	178.8	-62.1	-177.1	23.6	0	0	111.1	D179 H183	D179-Q181 WeakPolarHBondContact OD1-CG 3.22Å; D179-Q181 PolarHBondContact OD2-NE2 3.33Å; Q181-H183 PolarHBondContact O-N 2.78Å
182	N	58.9	Low	78.3	Confident	65 Å²	65	85.4 Å²	85.4	35%	0.348	48%	0.476	S	S	.	.			trans	-93.9	100.4	-173.2	-156.2	-28.5	0	0	0	111.9	F180 L184	F180-N182 PolarHBondContact O-N 3.2Å; F180-N182 VanDerWaalsContact O-N 3.07Å; N182-L184 PolarHBondContact O-N 3.49Å
183	H	55.2	Low	78.6	Confident	135 Å²	135	86.5 Å²	86.5	63%	0.625	49%	0.489	S	S	*	.			trans	-75.2	109	166	-79	-69.2	0	0	0	108.6	Q181 G185	Q181-H183 PolarHBondContact O-N 2.78Å; H183-G185 PolarHBondContact O-N 3.22Å
184	L	49.4	Very low	79	Confident	172 Å²	172	84.6 Å²	84.6	90%	0.901	48%	0.479	S	S	*	.	S	Bend	trans	-68.2	51.5	-163.2	-160.9	74.1	0	0	0	116	N182	N182-L184 PolarHBondContact O-N 3.49Å
185	G	53.3	Low	79.5	Confident	72 Å²	72	82.1 Å²	82.1	74%	0.742	46%	0.461	S	S	*	.	S	Bend	trans	-106.3	-34.8	-168.4	0	0	0	0	0	117.2	H183	H183-G185 PolarHBondContact O-N 3.22Å
186	S	66.1	Low	79.9	Confident	96 Å²	96	84.2 Å²	84.2	67%	0.671	47%	0.472	S	S	*	.	S	Bend	trans	-149.7	0.8	-163.7	60.3	0	0	0	0	117.8
187	C	83.1	Confident	80.1	Confident	46 Å²	46	83.8 Å²	83.8	31%	0.311	48%	0.479	S	S	.	.	P	Polyproline II helix	trans	-71.9	137.5	177.6	-65.2	0	0	0	0	112.5	C157	C157-C187 VanDerWaalsContact CA-SG 3.57Å; C157-C187 HydrophobicContact CB-CB 3.68Å; C157-C187 WeakPolarHBondContact CB-SG 3.19Å; C157-C187 WeakPolarHBondContact SG-CA 3.35Å; C157-C187 WeakPolarHBondContact SG-CB 3.03Å; C157-C187 CovalentContact SG-SG 2.04Å; C157-C187 PolarHBondContact SG-SG 3.21Å
188	Q	87.1	Confident	80.6	Confident	133 Å²	133	81.6 Å²	81.6	62%	0.621	46%	0.464	S	S	*	.	P	Polyproline II helix	trans	-80.9	148.5	172.4	-64.2	-171.5	6.2	0	0	110.8	N158 A202	N158-Q188 PolarHBondContact ND2-O 2.98Å; Q188-A202 HydrophobicContact CB-CB 4.12Å
189	K	89	Confident	81.1	Confident	194 Å²	194	77.9 Å²	77.9	84%	0.843	45%	0.445	S	S	*	.	P	Polyproline II helix	trans	-77.1	150.9	177	-67.9	-174.3	177.5	-177.8	0	111.1
190	C	91.5	Very high	81.7	Confident	29 Å²	29	75 Å²	75	20%	0.196	43%	0.43	C	S	.	.	P	Polyproline II helix	trans	-61.2	153	168.5	-61.7	0	0	0	0	111.5	G197 C199	C190-G197 WeakPolarHBondContact CB-O 3.42Å; C190-G197 PolarHBondContact SG-O 3.23Å; C190-C199 WeakPolarHBondContact CA-SG 3.28Å; C190-C199 HydrophobicContact CB-CB 3.65Å; C190-C199 WeakPolarHBondContact CB-SG 3.18Å; C190-C199 WeakPolarHBondContact SG-CB 3.26Å; C190-C199 PolarHBondContact SG-N 2.87Å; C190-C199 CovalentContact SG-SG 2.03Å; C190-C199 PolarHBondContact SG-SG 3.46Å
191	D	95.1	Very high	82.4	Confident	59 Å²	59	72.7 Å²	72.7	32%	0.316	42%	0.423	S	S	.	.	P	Polyproline II helix	trans	-66.6	144.1	177.3	-170	-87	0	0	0	111.7	S193 C194	D191-S193 PolarHBondContact O-N 2.81Å; D191-S193 VanDerWaalsContact O-N 3.11Å; D191-S193 VanDerWaalsContact OD1-CB 3.24Å; D191-S193 WeakPolarHBondContact OD1-CB 3.48Å; D191-S193 PolarHBondContact OD1-N 2.03Å; D191-S193 PolarHBondContact OD1-OG 3.44Å; D191-C194 WeakPolarHBondContact O-CB 3.34Å; D191-C194 PolarHBondContact O-N 3.46Å; D191-C194 PolarHBondContact O-SG 3.25Å; D191-C194 VanDerWaalsContact O-SG 3.4Å
192	P	92.5	Very high	83.4	Confident	129 Å²	129	69.8 Å²	69.8	84%	0.838	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-20	177.6	-26.1	36.1	0	0	0	115.5	C194	P192-C194 VanDerWaalsContact C-N 3.32Å
193	S	94	Very high	84.9	Confident	63 Å²	63	68 Å²	68	44%	0.441	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-21.2	173.4	60.9	0	0	0	0	113.8	D191	D191-S193 PolarHBondContact O-N 2.81Å; D191-S193 VanDerWaalsContact O-N 3.11Å; D191-S193 VanDerWaalsContact OD1-CB 3.24Å; D191-S193 WeakPolarHBondContact OD1-CB 3.48Å; D191-S193 PolarHBondContact OD1-N 2.03Å; D191-S193 PolarHBondContact OD1-OG 3.44Å
194	C	94.3	Very high	86.8	Confident	8 Å²	8	68.2 Å²	68.2	5%	0.054	41%	0.413	C	S	.	.	S	Bend	trans	-66.4	132.3	-172.9	-62.1	0	0	0	0	112.1	D191 P192 N196 G197 C207	D191-C194 WeakPolarHBondContact O-CB 3.34Å; D191-C194 PolarHBondContact O-N 3.46Å; D191-C194 PolarHBondContact O-SG 3.25Å; D191-C194 VanDerWaalsContact O-SG 3.4Å; P192-C194 VanDerWaalsContact C-N 3.32Å; C194-N196 PolarHBondContact O-N 3.27Å; C194-G197 PolarHBondContact O-N 3.15Å; C194-C207 WeakPolarHBondContact CA-SG 3.08Å; C194-C207 HydrophobicContact CB-CB 3.74Å; C194-C207 WeakPolarHBondContact CB-SG 3.02Å; C194-C207 WeakPolarHBondContact SG-CA 3.45Å; C194-C207 WeakPolarHBondContact SG-CB 3.32Å; C194-C207 CovalentContact SG-SG 2.04Å; C194-C207 PolarHBondContact SG-SG 3.28Å
195	P	91.4	Very high	88.9	Confident	49 Å²	49	65.1 Å²	65.1	32%	0.318	39%	0.394	S	S	.	.	G	3₁₀ helix	trans	-63.2	125.5	-177	26.5	-33.5	0	0	0	110.4	G197 S198 Q208 L210	P195-G197 PolarHBondContact O-N 3.43Å; P195-G197 VanDerWaalsContact O-N 3.07Å; P195-S198 WeakPolarHBondContact O-CB 3.26Å; P195-S198 PolarHBondContact O-N 3.27Å; P195-Q208 WeakPolarHBondContact CG-O 3.19Å; P195-L210 HydrophobicContact CB-CD1 3.85Å; P195-L210 HydrophobicContact CG-CD1 3.96Å; P195-L210 HydrophobicContact CG-CG 4.2Å
196	N	91.4	Very high	90.9	Very high	129 Å²	129	62 Å²	62	69%	0.69	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	56.2	16.7	-174.6	-53.8	-47	0	0	0	114.7	Q163 C194 S198	Q163-N196 PolarHBondContact NE2-ND2 3.07Å; Q163-N196 PolarHBondContact OE1-ND2 3.32Å; C194-N196 PolarHBondContact O-N 3.27Å; N196-S198 VanDerWaalsContact C-N 3.34Å
197	G	91.9	Very high	92.3	Very high	37 Å²	37	58.1 Å²	58.1	38%	0.381	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	75.3	16.3	-173.3	0	0	0	0	0	114.6	C190 C194 P195	C190-G197 WeakPolarHBondContact CB-O 3.42Å; C190-G197 PolarHBondContact SG-O 3.23Å; C194-G197 PolarHBondContact O-N 3.15Å; P195-G197 PolarHBondContact O-N 3.43Å; P195-G197 VanDerWaalsContact O-N 3.07Å
198	S	95.5	Very high	92.9	Very high	4 Å²	4	56.2 Å²	56.2	3%	0.028	32%	0.32	C	S	.	.			trans	-87.8	119.1	-176.9	-62	0	0	0	0	112.8	S161 Q163 P195 N196 Q208	S161-S198 WeakPolarHBondContact O-CB 3.32Å; S161-S198 PolarHBondContact O-OG 3.36Å; Q163-S198 WeakPolarHBondContact CG-OG 3.35Å; P195-S198 WeakPolarHBondContact O-CB 3.26Å; P195-S198 PolarHBondContact O-N 3.27Å; N196-S198 VanDerWaalsContact C-N 3.34Å; S198-Q208 PolarHBondContact O-N 3.12Å
199	C	96	Very high	93.3	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	31%	0.309	C	S	.	.	B	Isolated β-bridge	trans	-145.3	159.1	178.9	77.2	0	0	0	0	113.2	N158 S161 I162 C190 G201 N206	N158-C199 CarbonylContact C-O 3.53Å; S161-C199 PolarHBondContact OG-N 3.07Å; S161-C199 PolarHBondContact OG-O 3.09Å; I162-C199 WeakPolarHBondContact CD1-O 3.45Å; C190-C199 WeakPolarHBondContact CA-SG 3.28Å; C190-C199 HydrophobicContact CB-CB 3.65Å; C190-C199 WeakPolarHBondContact CB-SG 3.18Å; C190-C199 WeakPolarHBondContact SG-CB 3.26Å; C190-C199 PolarHBondContact SG-N 2.87Å; C190-C199 CovalentContact SG-SG 2.03Å; C190-C199 PolarHBondContact SG-SG 3.46Å; C199-G201 PolarHBondContact SG-O 3.48Å; C199-N206 CarbonylContact C-O 3.51Å; C199-N206 WeakPolarHBondContact CA-O 3.01Å
200	W	94.6	Very high	93.7	Very high	2 Å²	2	46 Å²	46	1%	0.008	27%	0.274	C	S	.	.	S	Bend	trans	-94	1.8	175.9	-67.3	95.3	0	0	0	113.8	M137 L140 V159 I162 W164 I167 N206	M137-W200 HydrophobicContact CB-CD2 4Å; M137-W200 HydrophobicContact CB-CE3 3.76Å; M137-W200 HydrophobicContact CB-CH2 3.88Å; M137-W200 HydrophobicContact CB-CZ2 4.1Å; M137-W200 HydrophobicContact CB-CZ3 3.72Å; M137-W200 HydrophobicContact CG-CE3 4.5Å; M137-W200 HydrophobicContact CG-CZ3 4.27Å; M137-W200 PolarHBondContact O-NE1 2.81Å; M137-W200 HydrophobicContact SD-CH2 4.34Å; M137-W200 HydrophobicContact SD-CZ3 4.12Å; L140-W200 HydrophobicContact CB-CZ2 4.28Å; L140-W200 HydrophobicContact CD2-CH2 4.19Å; V159-W200 HydrophobicContact CG1-CZ3 4.12Å; V159-W200 HydrophobicContact CG2-CE3 4.23Å; I162-W200 HydrophobicContact CD1-CD2 3.64Å; I162-W200 HydrophobicContact CD1-CE3 4.26Å; I162-W200 HydrophobicContact CD1-CG 3.78Å; I162-W200 HydrophobicContact CD1-CZ2 4.21Å; I162-W200 HydrophobicContact CG1-CD2 3.98Å; I162-W200 HydrophobicContact CG1-CE3 4.09Å; I162-W200 HydrophobicContact CG1-CH2 4.35Å; I162-W200 HydrophobicContact CG1-CZ2 4.26Å; I162-W200 HydrophobicContact CG1-CZ3 4.26Å; I162-W200 HydrophobicContact CG2-CH2 4.27Å; I162-W200 HydrophobicContact CG2-CZ2 4.03Å; W164-W200 AromaticContact CH2-CH2 3.61Å; W164-W200 HydrophobicContact CH2-CH2 3.61Å; W164-W200 HydrophobicContact CH2-CZ3 4.13Å; W164-W200 HydrophobicContact CZ2-CH2 4.1Å; W164-W200 HydrophobicContact CZ2-CZ3 4.37Å; W164-W200 HydrophobicContact CZ3-CH2 4.18Å; I167-W200 HydrophobicContact CD1-CH2 4.35Å; I167-W200 HydrophobicContact CD1-CZ2 3.72Å; W200-N206 PolarHBondContact N-O 2.89Å
201	G	92.1	Very high	93.9	Very high	9 Å²	9	45.2 Å²	45.2	9%	0.093	27%	0.269	C	S	.	.	S	Bend	trans	161.9	178	-173.6	0	0	0	0	0	110.7	C199	C199-G201 PolarHBondContact SG-O 3.48Å
202	A	89.9	Confident	93.8	Very high	34 Å²	34	45.5 Å²	45.5	28%	0.281	27%	0.267	S	S	.	.	S	Bend	trans	-65	153	177.4	0	0	0	0	0	112.8	Q188 N206	Q188-A202 HydrophobicContact CB-CB 4.12Å; A202-N206 PolarHBondContact O-ND2 3.31Å
203	G	90.6	Very high	93.8	Very high	29 Å²	29	43.2 Å²	43.2	30%	0.299	25%	0.247	S	C	.	.	S	Bend	trans	92.1	146	178.8	0	0	0	0	0	114.5	E205 N206	G203-E205 WeakPolarHBondContact CA-OE2 3.5Å; G203-E205 PolarHBondContact O-N 3.45Å; G203-N206 PolarHBondContact O-N 2.77Å; G203-N206 VanDerWaalsContact O-N 3.1Å
204	E	93.3	Very high	93.8	Very high	138 Å²	138	42.5 Å²	42.5	65%	0.645	24%	0.238	S	C	*	.	G	3₁₀ helix	trans	-55.2	-35.4	178.6	177.3	178.1	-168.6	0	0	112	N206 C207	E204-N206 PolarHBondContact O-N 2.79Å; E204-N206 VanDerWaalsContact O-N 3.11Å; E204-C207 WeakPolarHBondContact O-CB 3.24Å; E204-C207 PolarHBondContact O-N 3.1Å; E204-C207 VanDerWaalsContact O-N 3.15Å; E204-C207 PolarHBondContact O-SG 3.14Å; E204-C207 VanDerWaalsContact O-SG 3.34Å
205	E	93.6	Very high	93.8	Very high	107 Å²	107	43.5 Å²	43.5	50%	0.5	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-67.9	-15.2	-177.7	84	-72.4	178.3	0	0	113.5	R138 G203	R138-E205 WeakPolarHBondContact CD-O 3.49Å; G203-E205 WeakPolarHBondContact CA-OE2 3.5Å; G203-E205 PolarHBondContact O-N 3.45Å
206	N	95.3	Very high	93.8	Very high	6 Å²	6	42 Å²	42	3%	0.032	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-103.2	4.4	178.7	-58.4	-52.3	0	0	0	113.5	R138 C199 W200 A202 G203 E204	R138-N206 WeakPolarHBondContact CD-OD1 3.26Å; R138-N206 PolarHBondContact NH1-OD1 2.04Å; C199-N206 CarbonylContact C-O 3.51Å; C199-N206 WeakPolarHBondContact CA-O 3.01Å; W200-N206 PolarHBondContact N-O 2.89Å; A202-N206 PolarHBondContact O-ND2 3.31Å; G203-N206 PolarHBondContact O-N 2.77Å; G203-N206 VanDerWaalsContact O-N 3.1Å; E204-N206 PolarHBondContact O-N 2.79Å; E204-N206 VanDerWaalsContact O-N 3.11Å
207	C	96.2	Very high	93.5	Very high	15 Å²	15	45.7 Å²	45.7	10%	0.101	25%	0.249	C	C	.	.	B	Isolated β-bridge	trans	-58.2	145.2	168.3	-65.3	0	0	0	0	111.9	C194 E204 K209	C194-C207 WeakPolarHBondContact CA-SG 3.08Å; C194-C207 HydrophobicContact CB-CB 3.74Å; C194-C207 WeakPolarHBondContact CB-SG 3.02Å; C194-C207 WeakPolarHBondContact SG-CA 3.45Å; C194-C207 WeakPolarHBondContact SG-CB 3.32Å; C194-C207 CovalentContact SG-SG 2.04Å; C194-C207 PolarHBondContact SG-SG 3.28Å; E204-C207 WeakPolarHBondContact O-CB 3.24Å; E204-C207 PolarHBondContact O-N 3.1Å; E204-C207 VanDerWaalsContact O-N 3.15Å; E204-C207 PolarHBondContact O-SG 3.14Å; E204-C207 VanDerWaalsContact O-SG 3.34Å; C207-K209 PolarHBondContact O-N 2.82Å
208	Q	96.9	Very high	93.4	Very high	6 Å²	6	51.3 Å²	51.3	3%	0.028	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-69.9	122.4	179	-172.3	-175	-5	0	0	111.2	I162 Q163 P195 S198 L210	I162-Q208 HydrophobicContact CD1-CB 4.15Å; I162-Q208 HydrophobicContact CD1-CG 4.4Å; Q163-Q208 PolarHBondContact O-NE2 3.25Å; Q163-Q208 VanDerWaalsContact O-NE2 3.16Å; P195-Q208 WeakPolarHBondContact CG-O 3.19Å; S198-Q208 PolarHBondContact O-N 3.12Å; Q208-L210 HydrophobicContact CG-CD2 4.07Å
209	K	95.4	Very high	93.1	Very high	92 Å²	92	52.2 Å²	52.2	40%	0.4	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-79.2	120.8	171.3	-60	170.1	-167.8	177.6	0	108.8	N139 Q141 C207	N139-K209 PolarHBondContact OD1-NZ 3.46Å; Q141-K209 HydrophobicContact CG-CB 4.44Å; C207-K209 PolarHBondContact O-N 2.82Å
210	L	95.6	Very high	92.6	Very high	21 Å²	21	56.2 Å²	56.2	11%	0.11	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-102.1	125.2	-179.8	-59.4	175.4	0	0	0	110	Q163 D166 P195 Q208 I213 I214	Q163-L210 HydrophobicContact CB-CD2 4.44Å; D166-L210 HydrophobicContact CB-CD2 3.74Å; D166-L210 WeakPolarHBondContact OD2-CA 3.38Å; P195-L210 HydrophobicContact CB-CD1 3.85Å; P195-L210 HydrophobicContact CG-CD1 3.96Å; P195-L210 HydrophobicContact CG-CG 4.2Å; Q208-L210 HydrophobicContact CG-CD2 4.07Å; L210-I213 HydrophobicContact CD1-CD1 4.18Å; L210-I213 HydrophobicContact CD1-CG1 4.32Å; L210-I213 HydrophobicContact CD2-CD1 4.06Å; L210-I213 HydrophobicContact CD2-CG1 4.37Å; L210-I214 HydrophobicContact CB-CD1 4.39Å; L210-I214 HydrophobicContact CB-CG1 4.36Å; L210-I214 HydrophobicContact CB-CG2 3.88Å; L210-I214 HydrophobicContact CD1-CG2 3.88Å; L210-I214 WeakPolarHBondContact O-CD1 3.44Å
211	T	95.5	Very high	92.4	Very high	13 Å²	13	58 Å²	58	8%	0.08	32%	0.318	C	S	.	.	S	Bend	trans	-132	8.9	-176.4	61.1	0	0	0	0	114.1	Q141 D166 C215 R222 C223 A238	Q141-T211 VanDerWaalsContact OE1-CG2 3.28Å; D166-T211 PolarHBondContact OD1-N 2.91Å; D166-T211 PolarHBondContact OD2-N 3.32Å; T211-C215 PolarHBondContact O-SG 3.44Å; T211-R222 CarbonylContact O-C 3.42Å; T211-R222 VanDerWaalsContact O-CA 3.24Å; T211-R222 WeakPolarHBondContact O-CA 3.4Å; T211-R222 WeakPolarHBondContact O-CD 3.04Å; T211-R222 WeakPolarHBondContact OG1-CD 3.48Å; T211-R222 PolarHBondContact OG1-NH1 2.91Å; T211-C223 WeakPolarHBondContact CB-O 3.49Å; T211-C223 PolarHBondContact O-N 2.03Å; T211-A238 WeakPolarHBondContact CB-O 3.27Å; T211-A238 PolarHBondContact OG1-O 2.95Å
212	K	93.8	Very high	92.5	Very high	64 Å²	64	57.9 Å²	57.9	28%	0.278	32%	0.315	S	S	.	.	S	Bend	trans	-133.9	-52.1	-176.5	-171.5	-178.6	-159.9	166.2	0	113	E142 D166 V168 I214 C215	E142-K212 IonicContact OE1-NZ 3.74Å; D166-K212 WeakPolarHBondContact O-CD 3.28Å; D166-K212 WeakPolarHBondContact OD1-CA 3.41Å; D166-K212 WeakPolarHBondContact OD1-CB 3.41Å; D166-K212 PolarHBondContact OD1-N 2.87Å; V168-K212 PolarHBondContact O-NZ 2.04Å; K212-I214 VanDerWaalsContact C-N 3.3Å; K212-I214 PolarHBondContact O-N 3.42Å; K212-C215 PolarHBondContact O-N 3.07Å; K212-C215 PolarHBondContact O-SG 2.84Å; K212-C215 VanDerWaalsContact O-SG 3.35Å
213	I	93.8	Very high	92.8	Very high	81 Å²	81	56.2 Å²	56.2	42%	0.415	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-15	-175.3	72.3	-179	0	0	0	113.6	Q163 R165 D166 L210	Q163-I213 HydrophobicContact CB-CD1 4.41Å; R165-I213 HydrophobicContact CB-CG2 4.32Å; D166-I213 HydrophobicContact CB-CD1 4.37Å; D166-I213 HydrophobicContact CB-CG1 4.34Å; D166-I213 HydrophobicContact CB-CG2 4.03Å; D166-I213 WeakPolarHBondContact OD1-CG1 3.49Å; D166-I213 PolarHBondContact OD1-N 2.69Å; L210-I213 HydrophobicContact CD1-CD1 4.18Å; L210-I213 HydrophobicContact CD1-CG1 4.32Å; L210-I213 HydrophobicContact CD2-CD1 4.06Å; L210-I213 HydrophobicContact CD2-CG1 4.37Å
214	I	94	Very high	93	Very high	49 Å²	49	60.4 Å²	60.4	25%	0.251	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	-4.7	179.1	65.6	163.6	0	0	0	113.7	L210 K212 K226	L210-I214 HydrophobicContact CB-CD1 4.39Å; L210-I214 HydrophobicContact CB-CG1 4.36Å; L210-I214 HydrophobicContact CB-CG2 3.88Å; L210-I214 HydrophobicContact CD1-CG2 3.88Å; L210-I214 WeakPolarHBondContact O-CD1 3.44Å; K212-I214 VanDerWaalsContact C-N 3.3Å; K212-I214 PolarHBondContact O-N 3.42Å; I214-K226 HydrophobicContact CB-CG 4.37Å
215	C	93.3	Very high	92.9	Very high	28 Å²	28	54.5 Å²	54.5	19%	0.189	28%	0.284	C	S	.	.	S	Bend	trans	-74.8	155.5	-167.3	-56.9	0	0	0	0	113.8	T211 K212 C219 C223	T211-C215 PolarHBondContact O-SG 3.44Å; K212-C215 PolarHBondContact O-N 3.07Å; K212-C215 PolarHBondContact O-SG 2.84Å; K212-C215 VanDerWaalsContact O-SG 3.35Å; C215-C219 HydrophobicContact CB-CB 4.3Å; C215-C223 WeakPolarHBondContact CA-SG 3.15Å; C215-C223 HydrophobicContact CB-CB 3.77Å; C215-C223 WeakPolarHBondContact CB-SG 3.4Å; C215-C223 WeakPolarHBondContact SG-CB 3.45Å; C215-C223 PolarHBondContact SG-N 3.11Å; C215-C223 VanDerWaalsContact SG-N 3.41Å; C215-C223 CovalentContact SG-SG 2.03Å; C215-C223 PolarHBondContact SG-SG 2.88Å
216	A	90.6	Very high	92.8	Very high	18 Å²	18	57.1 Å²	57.1	15%	0.149	29%	0.294	C	S	.	.			trans	-64.3	144.8	170	0	0	0	0	0	111	Q218 C219 P228	A216-Q218 PolarHBondContact O-N 3.15Å; A216-C219 PolarHBondContact O-N 2.8Å; A216-C219 PolarHBondContact O-SG 3.41Å; A216-P228 HydrophobicContact CB-CB 4.48Å; A216-P228 HydrophobicContact CB-CG 3.93Å
217	Q	86.7	Confident	92.6	Very high	206 Å²	206	59.3 Å²	59.3	96%	0.963	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-0.8	-179.8	-63.5	-173	-39.6	0	0	115.3
218	Q	88.4	Confident	92.3	Very high	156 Å²	156	61.9 Å²	61.9	73%	0.729	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.5	-11.9	177.4	-66.8	175.9	-12.9	0	0	112.8	A216	A216-Q218 PolarHBondContact O-N 3.15Å
219	C	89.9	Confident	92.1	Very high	22 Å²	22	65.3 Å²	65.3	15%	0.149	35%	0.351	C	S	.	.			trans	-74.3	132.7	176	-52.2	0	0	0	0	110.1	C215 A216 G221 C231	C215-C219 HydrophobicContact CB-CB 4.3Å; A216-C219 PolarHBondContact O-N 2.8Å; A216-C219 PolarHBondContact O-SG 3.41Å; C219-G221 PolarHBondContact O-N 3.41Å; C219-C231 WeakPolarHBondContact CA-SG 3.31Å; C219-C231 HydrophobicContact CB-CB 3.73Å; C219-C231 WeakPolarHBondContact CB-SG 3.49Å; C219-C231 WeakPolarHBondContact SG-CA 3.43Å; C219-C231 WeakPolarHBondContact SG-CB 3.33Å; C219-C231 CovalentContact SG-SG 2.04Å; C219-C231 PolarHBondContact SG-SG 2.83Å
220	S	86.4	Confident	92	Very high	85 Å²	85	62.6 Å²	62.6	59%	0.594	34%	0.341	S	S	*	.	S	Bend	trans	-77.5	-3	176.8	59	0	0	0	0	114.3	N234	S220-N234 WeakPolarHBondContact CB-OD1 3.21Å; S220-N234 PolarHBondContact OG-OD1 3.49Å
221	G	89.4	Confident	91.9	Very high	38 Å²	38	62.7 Å²	62.7	39%	0.392	34%	0.343	S	S	.	.	S	Bend	trans	-172.6	-115.6	-176.1	0	0	0	0	0	111	C219	C219-G221 PolarHBondContact O-N 3.41Å
222	R	94.8	Very high	91.9	Very high	7 Å²	7	62.5 Å²	62.5	3%	0.026	34%	0.342	C	S	.	.			trans	-77.4	163.7	-175.4	-62.4	-74.6	174.3	-179.9	-10.3	113.8	Q141 E142 D166 T211 C232 A237	Q141-R222 PolarHBondContact O-NH1 3Å; Q141-R222 PolarHBondContact O-NH2 2.87Å; E142-R222 IonicContact OE1-NH2 3.32Å; E142-R222 PolarHBondContact OE1-NH2 2.82Å; E142-R222 IonicContact OE2-CZ 3.38Å; E142-R222 IonicContact OE2-NE 2.7Å; E142-R222 PolarHBondContact OE2-NE 3.38Å; E142-R222 IonicContact OE2-NH2 3.44Å; E142-R222 PolarHBondContact OE2-NH2 2.94Å; D166-R222 PolarHBondContact O-NH1 3.01Å; D166-R222 PolarHBondContact O-NH2 2.96Å; D166-R222 IonicContact OD2-NH1 3.4Å; D166-R222 PolarHBondContact OD2-NH1 2.67Å; T211-R222 CarbonylContact O-C 3.42Å; T211-R222 VanDerWaalsContact O-CA 3.24Å; T211-R222 WeakPolarHBondContact O-CA 3.4Å; T211-R222 WeakPolarHBondContact O-CD 3.04Å; T211-R222 WeakPolarHBondContact OG1-CD 3.48Å; T211-R222 PolarHBondContact OG1-NH1 2.91Å; R222-C232 HydrophobicContact CB-CB 4.06Å; R222-C232 WeakPolarHBondContact O-CB 3.49Å; R222-C232 PolarHBondContact O-N 2.87Å; R222-A237 WeakPolarHBondContact CD-O 3.07Å; R222-A237 WeakPolarHBondContact CG-O 3.3Å; R222-A237 PolarHBondContact NE-O 2.86Å
223	C	95.5	Very high	92	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	34%	0.343	C	S	.	.	B	Isolated β-bridge	trans	-146.7	167.3	171.8	64	0	0	0	0	112.5	T211 C215 G225 D230	T211-C223 WeakPolarHBondContact CB-O 3.49Å; T211-C223 PolarHBondContact O-N 2.03Å; C215-C223 WeakPolarHBondContact CA-SG 3.15Å; C215-C223 HydrophobicContact CB-CB 3.77Å; C215-C223 WeakPolarHBondContact CB-SG 3.4Å; C215-C223 WeakPolarHBondContact SG-CB 3.45Å; C215-C223 PolarHBondContact SG-N 3.11Å; C215-C223 VanDerWaalsContact SG-N 3.41Å; C215-C223 CovalentContact SG-SG 2.03Å; C215-C223 PolarHBondContact SG-SG 2.88Å; C223-G225 PolarHBondContact SG-O 2.74Å; C223-D230 CarbonylContact C-O 3.57Å; C223-D230 VanDerWaalsContact CA-O 3.25Å; C223-D230 WeakPolarHBondContact CA-O 3.37Å; C223-D230 WeakPolarHBondContact CB-O 3.29Å
224	R	94.1	Very high	92	Very high	117 Å²	117	61.8 Å²	61.8	44%	0.442	34%	0.34	S	S	.	.	S	Bend	trans	-94	-10.1	171.2	-58.7	177.1	-66.5	150.4	11.1	113.4	S229 D230 C240 T241	R224-S229 PolarHBondContact NH2-O 3.19Å; R224-D230 HydrophobicContact CB-CB 4.26Å; R224-D230 PolarHBondContact N-O 3.34Å; R224-C240 VanDerWaalsContact CD-O 3.3Å; R224-C240 WeakPolarHBondContact CD-O 3.17Å; R224-C240 WeakPolarHBondContact CG-O 3.48Å; R224-C240 WeakPolarHBondContact CG-SG 3.38Å; R224-T241 VanDerWaalsContact CD-C 3.49Å; R224-T241 WeakPolarHBondContact CD-O 3.42Å; R224-T241 PolarHBondContact NH1-O 2.91Å
225	G	91.8	Very high	92.1	Very high	14 Å²	14	60.4 Å²	60.4	14%	0.144	33%	0.332	C	S	.	.	S	Bend	trans	178.8	-176.5	-165.1	0	0	0	0	0	112.1	C223 D230	C223-G225 PolarHBondContact SG-O 2.74Å; G225-D230 VanDerWaalsContact CA-OD2 3.31Å; G225-D230 WeakPolarHBondContact CA-OD2 3.49Å
226	K	91.9	Very high	92.1	Very high	162 Å²	162	59.4 Å²	59.4	70%	0.704	33%	0.326	S	S	*	.	S	Bend	trans	-88.2	-8.2	-168.5	-56.5	-173.5	178.6	175.3	0	114	I214 D230	I214-K226 HydrophobicContact CB-CG 4.37Å; K226-D230 PolarHBondContact N-OD2 2.85Å
227	S	91.6	Very high	92.1	Very high	51 Å²	51	58.5 Å²	58.5	36%	0.357	32%	0.318	S	S	.	.	S	Bend	trans	-89.6	150.2	-179.4	177	0	0	0	0	111.5	S229 D230	S227-S229 WeakPolarHBondContact CB-OG 3.37Å; S227-S229 PolarHBondContact O-N 3.49Å; S227-S229 VanDerWaalsContact O-N 3.14Å; S227-S229 PolarHBondContact OG-N 3.46Å; S227-S229 PolarHBondContact OG-OG 3.23Å; S227-D230 VanDerWaalsContact CB-OD2 3.27Å; S227-D230 WeakPolarHBondContact CB-OD2 3.27Å; S227-D230 PolarHBondContact N-OD2 2.89Å; S227-D230 VanDerWaalsContact O-CB 3.28Å; S227-D230 WeakPolarHBondContact O-CB 3.37Å; S227-D230 PolarHBondContact O-N 3.49Å
228	P	89.8	Confident	92.3	Very high	70 Å²	70	48.7 Å²	48.7	46%	0.455	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-56.7	-22	168.3	-24.9	34.7	0	0	0	114.4	A216 D230 C231	A216-P228 HydrophobicContact CB-CB 4.48Å; A216-P228 HydrophobicContact CB-CG 3.93Å; P228-D230 PolarHBondContact O-N 2.89Å; P228-C231 PolarHBondContact O-SG 3.49Å; P228-C231 VanDerWaalsContact O-SG 3.4Å
229	S	91.1	Very high	92.6	Very high	77 Å²	77	41.3 Å²	41.3	54%	0.538	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-66.5	-14.1	170.6	53.8	0	0	0	0	114.2	R224 S227	R224-S229 PolarHBondContact NH2-O 3.19Å; S227-S229 WeakPolarHBondContact CB-OG 3.37Å; S227-S229 PolarHBondContact O-N 3.49Å; S227-S229 VanDerWaalsContact O-N 3.14Å; S227-S229 PolarHBondContact OG-N 3.46Å; S227-S229 PolarHBondContact OG-OG 3.23Å
230	D	93.6	Very high	92.8	Very high	35 Å²	35	40.9 Å²	40.9	19%	0.187	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-104.5	-4.6	-169.1	-46.4	-18.5	0	0	0	111.5	C223 R224 G225 K226 S227 P228	C223-D230 CarbonylContact C-O 3.57Å; C223-D230 VanDerWaalsContact CA-O 3.25Å; C223-D230 WeakPolarHBondContact CA-O 3.37Å; C223-D230 WeakPolarHBondContact CB-O 3.29Å; R224-D230 HydrophobicContact CB-CB 4.26Å; R224-D230 PolarHBondContact N-O 3.34Å; G225-D230 VanDerWaalsContact CA-OD2 3.31Å; G225-D230 WeakPolarHBondContact CA-OD2 3.49Å; K226-D230 PolarHBondContact N-OD2 2.85Å; S227-D230 VanDerWaalsContact CB-OD2 3.27Å; S227-D230 WeakPolarHBondContact CB-OD2 3.27Å; S227-D230 PolarHBondContact N-OD2 2.89Å; S227-D230 VanDerWaalsContact O-CB 3.28Å; S227-D230 WeakPolarHBondContact O-CB 3.37Å; S227-D230 PolarHBondContact O-N 3.49Å; P228-D230 PolarHBondContact O-N 2.89Å
231	C	94.4	Very high	93.2	Very high	23 Å²	23	41.5 Å²	41.5	16%	0.155	24%	0.236	C	C	.	.	B	Isolated β-bridge	trans	-57.7	136.1	175.1	-58.4	0	0	0	0	111.1	C219 P228	C219-C231 WeakPolarHBondContact CA-SG 3.31Å; C219-C231 HydrophobicContact CB-CB 3.73Å; C219-C231 WeakPolarHBondContact CB-SG 3.49Å; C219-C231 WeakPolarHBondContact SG-CA 3.43Å; C219-C231 WeakPolarHBondContact SG-CB 3.33Å; C219-C231 CovalentContact SG-SG 2.04Å; C219-C231 PolarHBondContact SG-SG 2.83Å; P228-C231 PolarHBondContact O-SG 3.49Å; P228-C231 VanDerWaalsContact O-SG 3.4Å
232	C	95.8	Very high	93.3	Very high	10 Å²	10	40 Å²	40	7%	0.068	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-83.4	164.5	173.5	-62.7	0	0	0	0	111.5	R222 C236 C240	R222-C232 HydrophobicContact CB-CB 4.06Å; R222-C232 WeakPolarHBondContact O-CB 3.49Å; R222-C232 PolarHBondContact O-N 2.87Å; C232-C236 HydrophobicContact CB-CB 3.92Å; C232-C240 WeakPolarHBondContact CA-SG 2.97Å; C232-C240 HydrophobicContact CB-CB 3.7Å; C232-C240 WeakPolarHBondContact CB-SG 3.19Å; C232-C240 WeakPolarHBondContact SG-CB 3.32Å; C232-C240 PolarHBondContact SG-N 3.01Å; C232-C240 VanDerWaalsContact SG-N 3.35Å; C232-C240 CovalentContact SG-SG 2.03Å; C232-C240 PolarHBondContact SG-SG 2.92Å
233	H	95.8	Very high	93.2	Very high	64 Å²	64	43.5 Å²	43.5	30%	0.296	24%	0.244	S	C	.	.	P	Polyproline II helix	trans	-62.3	150.3	169	-167.3	-119.3	0	0	0	111.6	Q235 C236 E245	H233-Q235 PolarHBondContact O-N 2.91Å; H233-C236 WeakPolarHBondContact O-CB 3.48Å; H233-C236 PolarHBondContact O-N 2.92Å; H233-C236 PolarHBondContact O-SG 2.93Å; H233-E245 IonicContact CE1-OE2 3.88Å; H233-E245 WeakPolarHBondContact ND1-CB 3.41Å
234	N	93.9	Very high	93.1	Very high	66 Å²	66	52 Å²	52	35%	0.353	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-15	-176.8	-161.7	47.6	0	0	0	114.2	S220 R252	S220-N234 WeakPolarHBondContact CB-OD1 3.21Å; S220-N234 PolarHBondContact OG-OD1 3.49Å; N234-R252 PolarHBondContact O-NE 3.03Å
235	Q	94.6	Very high	92.9	Very high	19 Å²	19	50 Å²	50	9%	0.089	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.8	6.3	176.4	-60.2	-57.8	-14.8	0	0	114.6	H233 R252 C260 D262	H233-Q235 PolarHBondContact O-N 2.91Å; Q235-R252 VanDerWaalsContact O-CB 3.29Å; Q235-R252 WeakPolarHBondContact O-CB 3.44Å; Q235-R252 PolarHBondContact O-N 3.24Å; Q235-C260 HydrophobicContact CB-CB 3.78Å; Q235-C260 VanDerWaalsContact CB-O 3.27Å; Q235-C260 WeakPolarHBondContact CB-O 3.17Å; Q235-C260 WeakPolarHBondContact CG-O 3.23Å; Q235-D262 VanDerWaalsContact NE2-CB 3.35Å; Q235-D262 PolarHBondContact NE2-OD1 2.97Å; Q235-D262 PolarHBondContact OE1-OD1 3.25Å
236	C	95.2	Very high	93	Very high	7 Å²	7	52.1 Å²	52.1	5%	0.047	28%	0.284	C	S	.	.	B	Isolated β-bridge	trans	-84.3	135.9	173.3	-55.6	0	0	0	0	111.2	C232 H233 C248	C232-C236 HydrophobicContact CB-CB 3.92Å; H233-C236 WeakPolarHBondContact O-CB 3.48Å; H233-C236 PolarHBondContact O-N 2.92Å; H233-C236 PolarHBondContact O-SG 2.93Å; C236-C248 WeakPolarHBondContact CA-SG 3.39Å; C236-C248 HydrophobicContact CB-CB 3.62Å; C236-C248 WeakPolarHBondContact CB-SG 3.36Å; C236-C248 PolarHBondContact N-SG 3.23Å; C236-C248 VanDerWaalsContact N-SG 3.41Å; C236-C248 WeakPolarHBondContact SG-CA 3.33Å; C236-C248 WeakPolarHBondContact SG-CB 3.47Å; C236-C248 CovalentContact SG-SG 2.04Å; C236-C248 PolarHBondContact SG-SG 3.07Å
237	A	90.4	Very high	93.1	Very high	0 Å²	0	46 Å²	46	0%	0	26%	0.259	C	S	.	.	S	Bend	trans	-95.9	-70.5	-176.9	0	0	0	0	0	113.1	I106 E142 R222 V250 R252	I106-A237 HydrophobicContact CD1-CB 3.61Å; E142-A237 HydrophobicContact CG-CB 4.28Å; R222-A237 WeakPolarHBondContact CD-O 3.07Å; R222-A237 WeakPolarHBondContact CG-O 3.3Å; R222-A237 PolarHBondContact NE-O 2.86Å; A237-V250 HydrophobicContact CB-CB 4.29Å; A237-V250 HydrophobicContact CB-CG1 4.47Å; A237-V250 WeakPolarHBondContact CB-O 3.47Å; A237-V250 PolarHBondContact N-O 2.93Å; A237-R252 HydrophobicContact CB-CB 4.32Å
238	A	91.1	Very high	93.3	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	25%	0.248	C	C	.	.	S	Bend	trans	-74.5	-32.5	-179.3	0	0	0	0	0	113.4	Q141 T211 L249	Q141-A238 HydrophobicContact CB-CB 3.92Å; Q141-A238 PolarHBondContact OE1-O 2.78Å; T211-A238 WeakPolarHBondContact CB-O 3.27Å; T211-A238 PolarHBondContact OG1-O 2.95Å; A238-L249 HydrophobicContact CB-CB 4.48Å
239	G	93.8	Very high	93.4	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.01	24%	0.244	C	C	.	.			trans	159	-166.4	-170.1	0	0	0	0	0	110.4	L249	G239-L249 PolarHBondContact O-N 3.45Å
240	C	95.1	Very high	93.5	Very high	12 Å²	12	41 Å²	41	8%	0.081	22%	0.22	C	C	.	.	B	Isolated β-bridge	trans	-151	166.9	-178	60.8	0	0	0	0	112.4	R224 C232 G242 D247	R224-C240 VanDerWaalsContact CD-O 3.3Å; R224-C240 WeakPolarHBondContact CD-O 3.17Å; R224-C240 WeakPolarHBondContact CG-O 3.48Å; R224-C240 WeakPolarHBondContact CG-SG 3.38Å; C232-C240 WeakPolarHBondContact CA-SG 2.97Å; C232-C240 HydrophobicContact CB-CB 3.7Å; C232-C240 WeakPolarHBondContact CB-SG 3.19Å; C232-C240 WeakPolarHBondContact SG-CB 3.32Å; C232-C240 PolarHBondContact SG-N 3.01Å; C232-C240 VanDerWaalsContact SG-N 3.35Å; C232-C240 CovalentContact SG-SG 2.03Å; C232-C240 PolarHBondContact SG-SG 2.92Å; C240-G242 VanDerWaalsContact CB-O 3.26Å; C240-G242 WeakPolarHBondContact CB-O 3.32Å; C240-G242 PolarHBondContact SG-O 2.8Å; C240-D247 CarbonylContact C-O 3.55Å; C240-D247 WeakPolarHBondContact CA-O 3.47Å; C240-D247 VanDerWaalsContact CB-O 3.27Å; C240-D247 WeakPolarHBondContact CB-O 3.4Å
241	T	94.1	Very high	93.5	Very high	99 Å²	99	39.8 Å²	39.8	61%	0.607	21%	0.214	S	C	*	.	S	Bend	trans	-96.6	-18.3	167.6	58.7	0	0	0	0	112.1	R224 D247 L249	R224-T241 VanDerWaalsContact CD-C 3.49Å; R224-T241 WeakPolarHBondContact CD-O 3.42Å; R224-T241 PolarHBondContact NH1-O 2.91Å; T241-D247 PolarHBondContact N-O 3.46Å; T241-D247 PolarHBondContact OG1-O 2.78Å; T241-L249 HydrophobicContact CG2-CD2 4.06Å
242	G	92.1	Very high	93.4	Very high	6 Å²	6	42.5 Å²	42.5	6%	0.062	22%	0.221	C	C	.	.	S	Bend	trans	-161.1	-178.5	-178	0	0	0	0	0	112.5	C240 D247	C240-G242 VanDerWaalsContact CB-O 3.26Å; C240-G242 WeakPolarHBondContact CB-O 3.32Å; C240-G242 PolarHBondContact SG-O 2.8Å; G242-D247 VanDerWaalsContact CA-OD2 3.31Å; G242-D247 WeakPolarHBondContact CA-OD2 3.23Å; G242-D247 WeakPolarHBondContact O-CB 3.41Å
243	P	92.4	Very high	93.2	Very high	81 Å²	81	46.3 Å²	46.3	53%	0.526	24%	0.236	S	C	.	.	S	Bend	trans	-85	-5.5	-171.1	34.3	-36.4	0	0	0	115.2
244	R	92.4	Very high	93	Very high	178 Å²	178	45.5 Å²	45.5	67%	0.672	23%	0.232	S	C	*	.	S	Bend	trans	-91.5	164.4	-175.5	-55.9	174.5	170.2	179.3	-3.1	112.6	S246 D247	R244-S246 WeakPolarHBondContact CB-OG 3.46Å; R244-S246 PolarHBondContact O-N 2.91Å; R244-D247 VanDerWaalsContact CB-OD2 3.31Å; R244-D247 WeakPolarHBondContact CB-OD2 3.48Å; R244-D247 PolarHBondContact N-OD2 3.5Å; R244-D247 WeakPolarHBondContact O-CB 3.41Å; R244-D247 PolarHBondContact O-N 3.27Å
245	E	91.1	Very high	92.9	Very high	75 Å²	75	45.6 Å²	45.6	35%	0.35	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-17.3	173.3	67.1	-177.7	-155.3	0	0	114.7	H233 D247 T259 C260	H233-E245 IonicContact CE1-OE2 3.88Å; H233-E245 WeakPolarHBondContact ND1-CB 3.41Å; E245-D247 VanDerWaalsContact C-N 3.33Å; E245-T259 HydrophobicContact CG-CG2 4.37Å; E245-C260 PolarHBondContact O-N 3.17Å
246	S	93.1	Very high	92.7	Very high	59 Å²	59	45 Å²	45	41%	0.413	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-17	170.3	49.4	0	0	0	0	113.8	R244 A258	R244-S246 WeakPolarHBondContact CB-OG 3.46Å; R244-S246 PolarHBondContact O-N 2.91Å; S246-A258 WeakPolarHBondContact CA-O 3.38Å
247	D	94.6	Very high	92.4	Very high	33 Å²	33	49.9 Å²	49.9	18%	0.176	25%	0.247	C	C	.	.	S	Bend	trans	-103.1	4.1	-164.7	-47.8	-14.6	0	0	0	111.8	C240 T241 G242 R244 E245	C240-D247 CarbonylContact C-O 3.55Å; C240-D247 WeakPolarHBondContact CA-O 3.47Å; C240-D247 VanDerWaalsContact CB-O 3.27Å; C240-D247 WeakPolarHBondContact CB-O 3.4Å; T241-D247 PolarHBondContact N-O 3.46Å; T241-D247 PolarHBondContact OG1-O 2.78Å; G242-D247 VanDerWaalsContact CA-OD2 3.31Å; G242-D247 WeakPolarHBondContact CA-OD2 3.23Å; G242-D247 WeakPolarHBondContact O-CB 3.41Å; R244-D247 VanDerWaalsContact CB-OD2 3.31Å; R244-D247 WeakPolarHBondContact CB-OD2 3.48Å; R244-D247 PolarHBondContact N-OD2 3.5Å; R244-D247 WeakPolarHBondContact O-CB 3.41Å; R244-D247 PolarHBondContact O-N 3.27Å; E245-D247 VanDerWaalsContact C-N 3.33Å
248	C	94.4	Very high	92.3	Very high	19 Å²	19	52.8 Å²	52.8	13%	0.128	27%	0.271	C	S	.	.	B	Isolated β-bridge	trans	-69.9	141.5	179.3	-57.8	0	0	0	0	111.9	C236 C260	C236-C248 WeakPolarHBondContact CA-SG 3.39Å; C236-C248 HydrophobicContact CB-CB 3.62Å; C236-C248 WeakPolarHBondContact CB-SG 3.36Å; C236-C248 PolarHBondContact N-SG 3.23Å; C236-C248 VanDerWaalsContact N-SG 3.41Å; C236-C248 WeakPolarHBondContact SG-CA 3.33Å; C236-C248 WeakPolarHBondContact SG-CB 3.47Å; C236-C248 CovalentContact SG-SG 2.04Å; C236-C248 PolarHBondContact SG-SG 3.07Å; C248-C260 WeakPolarHBondContact CB-SG 3.46Å
249	L	92.1	Very high	92.4	Very high	69 Å²	69	54.5 Å²	54.5	36%	0.361	28%	0.281	S	S	.	.	S	Bend	trans	-66.3	-40.5	172	-64.7	176.1	0	0	0	111.4	A238 G239 T241	A238-L249 HydrophobicContact CB-CB 4.48Å; G239-L249 PolarHBondContact O-N 3.45Å; T241-L249 HydrophobicContact CG2-CD2 4.06Å
250	V	92.8	Very high	92.4	Very high	5 Å²	5	54.7 Å²	54.7	3%	0.03	28%	0.282	C	S	.	.	S	Bend	trans	-145.5	143.4	174.3	-177.2	0	0	0	0	108.9	E84 Q105 I106 R108 A237	E84-V250 HydrophobicContact CG-CG1 4.48Å; E84-V250 WeakPolarHBondContact OE2-CG1 3.39Å; Q105-V250 HydrophobicContact CB-CG2 4.05Å; I106-V250 HydrophobicContact CD1-CG1 4.2Å; I106-V250 HydrophobicContact CG2-CG1 4.09Å; R108-V250 VanDerWaalsContact NH2-CG1 3.27Å; A237-V250 HydrophobicContact CB-CB 4.29Å; A237-V250 HydrophobicContact CB-CG1 4.47Å; A237-V250 WeakPolarHBondContact CB-O 3.47Å; A237-V250 PolarHBondContact N-O 2.93Å
251	C	94.1	Very high	92.2	Very high	9 Å²	9	57.5 Å²	57.5	6%	0.061	29%	0.293	C	S	.	.	B	Isolated β-bridge	trans	-78.3	133	176.4	-55.2	0	0	0	0	112.5	R108 F254 R255 C260	R108-C251 PolarHBondContact NH1-O 3.47Å; R108-C251 PolarHBondContact NH2-O 2.94Å; C251-F254 WeakPolarHBondContact CB-O 3.33Å; C251-R255 HydrophobicContact CB-CB 4.29Å; C251-R255 VanDerWaalsContact SG-CA 3.59Å; C251-R255 VanDerWaalsContact SG-CB 3.58Å; C251-C260 WeakPolarHBondContact CA-SG 3.23Å; C251-C260 HydrophobicContact CB-CB 3.55Å; C251-C260 WeakPolarHBondContact CB-SG 3.4Å; C251-C260 WeakPolarHBondContact SG-CA 3.46Å; C251-C260 WeakPolarHBondContact SG-CB 3.29Å; C251-C260 CovalentContact SG-SG 2.03Å; C251-C260 PolarHBondContact SG-SG 3.5Å
252	R	93	Very high	91.9	Very high	81 Å²	81	56.4 Å²	56.4	31%	0.306	28%	0.283	S	S	.	.	S	Bend	trans	-64.2	-45.1	-179.8	-170.9	-174.3	74.6	145.1	8.8	112.7	R108 L144 N234 Q235 A237 D262	R108-R252 PolarHBondContact NH1-O 2.71Å; L144-R252 HydrophobicContact CD2-CG 4.2Å; N234-R252 PolarHBondContact O-NE 3.03Å; Q235-R252 VanDerWaalsContact O-CB 3.29Å; Q235-R252 WeakPolarHBondContact O-CB 3.44Å; Q235-R252 PolarHBondContact O-N 3.24Å; A237-R252 HydrophobicContact CB-CB 4.32Å; R252-D262 IonicContact CZ-OD1 2.76Å; R252-D262 IonicContact NH2-OD1 3.84Å; R252-D262 PolarHBondContact NH2-OD1 3.06Å
253	K	90.4	Very high	91.8	Very high	90 Å²	90	60.7 Å²	60.7	39%	0.391	31%	0.309	S	S	.	.	S	Bend	trans	-106.6	-88.4	173.1	-64.9	-62.3	-170.3	179.5	0	110.4	K261 D262	K253-K261 WeakPolarHBondContact CB-O 3.36Å; K253-D262 VanDerWaalsContact CB-O 3.31Å; K253-D262 WeakPolarHBondContact CB-O 2.93Å
254	F	91.4	Very high	91.7	Very high	47 Å²	47	57.6 Å²	57.6	21%	0.206	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	144.4	-175.9	-57	-81.5	0	0	0	113.1	C251 C260 K261 D262 A289	C251-F254 WeakPolarHBondContact CB-O 3.33Å; F254-C260 CarbonylContact O-C 3.58Å; F254-C260 WeakPolarHBondContact O-CA 3.13Å; F254-K261 PolarHBondContact N-O 3.1Å; F254-K261 PolarHBondContact O-N 2.87Å; F254-D262 WeakPolarHBondContact CD2-O 3.29Å; F254-D262 WeakPolarHBondContact CE2-O 3.28Å; F254-A289 CarbonylContact C-O 3.55Å; F254-A289 WeakPolarHBondContact CA-O 3.4Å
255	R	91.9	Very high	91.6	Very high	68 Å²	68	50.1 Å²	50.1	26%	0.257	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	110.6	164.3	-175.4	173.9	71.4	143.9	2.1	109.3	E26 C251 E257 A289 T290 C291	E26-R255 PolarHBondContact O-NH1 3.33Å; C251-R255 HydrophobicContact CB-CB 4.29Å; C251-R255 VanDerWaalsContact SG-CA 3.59Å; C251-R255 VanDerWaalsContact SG-CB 3.58Å; R255-E257 WeakPolarHBondContact CD-O 3.44Å; R255-E257 VanDerWaalsContact CG-O 3.27Å; R255-E257 WeakPolarHBondContact CG-O 3.48Å; R255-A289 PolarHBondContact N-O 3.39Å; R255-T290 HydrophobicContact CB-CG2 4.38Å; R255-T290 WeakPolarHBondContact O-CA 3.37Å; R255-C291 PolarHBondContact O-N 2.68Å
256	D	91.8	Very high	91.4	Very high	6 Å²	6	48.8 Å²	48.8	3%	0.032	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	98.4	168.4	-169.5	19.6	0	0	0	108.4	A258 T259 K261 K284 C291	D256-A258 PolarHBondContact O-N 2.8Å; D256-T259 PolarHBondContact N-O 2.89Å; D256-T259 PolarHBondContact O-N 3.07Å; D256-T259 PolarHBondContact O-OG1 3.48Å; D256-K261 HydrophobicContact CB-CD 3.78Å; D256-K261 HydrophobicContact CB-CG 4.23Å; D256-K261 WeakPolarHBondContact OD2-CE 3.49Å; D256-K261 IonicContact OD2-NZ 3.6Å; D256-K261 PolarHBondContact OD2-NZ 2.88Å; D256-K284 VanDerWaalsContact OD1-CD 3.25Å; D256-K284 WeakPolarHBondContact OD1-CD 3.36Å; D256-K284 WeakPolarHBondContact OD1-CE 3.32Å; D256-K284 IonicContact OD1-NZ 3.78Å; D256-K284 PolarHBondContact OD1-NZ 3.24Å; D256-K284 IonicContact OD2-NZ 3.43Å; D256-C291 HydrophobicContact CB-CB 4.14Å
257	E	88.2	Confident	91.2	Very high	110 Å²	110	48.1 Å²	48.1	51%	0.514	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	53	-99.7	-172.1	-67.4	162.5	-149.7	0	0	112.9	L25 R255 K284	L25-E257 HydrophobicContact CD2-CB 4.35Å; R255-E257 WeakPolarHBondContact CD-O 3.44Å; R255-E257 VanDerWaalsContact CG-O 3.27Å; R255-E257 WeakPolarHBondContact CG-O 3.48Å; E257-K284 IonicContact OE1-NZ 3.73Å; E257-K284 PolarHBondContact OE1-NZ 3.39Å
258	A	88.8	Confident	90.7	Very high	61 Å²	61	50.3 Å²	50.3	50%	0.504	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.5	5.6	178.9	0	0	0	0	0	113.9	L25 S246 D256	L25-A258 HydrophobicContact CD1-CB 4.25Å; S246-A258 WeakPolarHBondContact CA-O 3.38Å; D256-A258 PolarHBondContact O-N 2.8Å
259	T	92.3	Very high	90.4	Very high	35 Å²	35	50.2 Å²	50.2	22%	0.215	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	144.8	-172.8	59.3	0	0	0	0	112.5	E245 D256 K261	E245-T259 HydrophobicContact CG-CG2 4.37Å; D256-T259 PolarHBondContact N-O 2.89Å; D256-T259 PolarHBondContact O-N 3.07Å; D256-T259 PolarHBondContact O-OG1 3.48Å; T259-K261 WeakPolarHBondContact OG1-CE 3.25Å
260	C	93.5	Very high	90.2	Very high	5 Å²	5	47.5 Å²	47.5	3%	0.034	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	111.7	176.9	-62.7	0	0	0	0	112.3	Q235 E245 C248 C251 F254	Q235-C260 HydrophobicContact CB-CB 3.78Å; Q235-C260 VanDerWaalsContact CB-O 3.27Å; Q235-C260 WeakPolarHBondContact CB-O 3.17Å; Q235-C260 WeakPolarHBondContact CG-O 3.23Å; E245-C260 PolarHBondContact O-N 3.17Å; C248-C260 WeakPolarHBondContact CB-SG 3.46Å; C251-C260 WeakPolarHBondContact CA-SG 3.23Å; C251-C260 HydrophobicContact CB-CB 3.55Å; C251-C260 WeakPolarHBondContact CB-SG 3.4Å; C251-C260 WeakPolarHBondContact SG-CA 3.46Å; C251-C260 WeakPolarHBondContact SG-CB 3.29Å; C251-C260 CovalentContact SG-SG 2.03Å; C251-C260 PolarHBondContact SG-SG 3.5Å; F254-C260 CarbonylContact O-C 3.58Å; F254-C260 WeakPolarHBondContact O-CA 3.13Å
261	K	90.9	Very high	90	Very high	72 Å²	72	48 Å²	48	31%	0.313	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	153.2	-176.6	-60.8	-175.3	-177.9	172.1	0	111.7	K253 F254 D256 T259 T263	K253-K261 WeakPolarHBondContact CB-O 3.36Å; F254-K261 PolarHBondContact N-O 3.1Å; F254-K261 PolarHBondContact O-N 2.87Å; D256-K261 HydrophobicContact CB-CD 3.78Å; D256-K261 HydrophobicContact CB-CG 4.23Å; D256-K261 WeakPolarHBondContact OD2-CE 3.49Å; D256-K261 IonicContact OD2-NZ 3.6Å; D256-K261 PolarHBondContact OD2-NZ 2.88Å; T259-K261 WeakPolarHBondContact OG1-CE 3.25Å; K261-T263 WeakPolarHBondContact CB-O 3.33Å
262	D	89	Confident	89.7	Confident	75 Å²	75	49.2 Å²	49.2	40%	0.401	26%	0.256	S	S	.	.	S	Bend	trans	-73.4	-32.9	179.1	-148.4	67.4	0	0	0	112.2	Q235 R252 K253 F254	Q235-D262 VanDerWaalsContact NE2-CB 3.35Å; Q235-D262 PolarHBondContact NE2-OD1 2.97Å; Q235-D262 PolarHBondContact OE1-OD1 3.25Å; R252-D262 IonicContact CZ-OD1 2.76Å; R252-D262 IonicContact NH2-OD1 3.84Å; R252-D262 PolarHBondContact NH2-OD1 3.06Å; K253-D262 VanDerWaalsContact CB-O 3.31Å; K253-D262 WeakPolarHBondContact CB-O 2.93Å; F254-D262 WeakPolarHBondContact CD2-O 3.29Å; F254-D262 WeakPolarHBondContact CE2-O 3.28Å
263	T	88.8	Confident	89.4	Confident	96 Å²	96	50.9 Å²	50.9	59%	0.589	28%	0.275	S	S	*	.	S	Bend	trans	-134.8	156.3	173.1	60	0	0	0	0	110.2	K261	K261-T263 WeakPolarHBondContact CB-O 3.33Å
264	C	90.3	Very high	89.3	Confident	16 Å²	16	49.6 Å²	49.6	11%	0.108	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-70.5	156.6	166.1	-65.3	0	0	0	0	111.4	C291	C264-C291 WeakPolarHBondContact CA-SG 3.44Å; C264-C291 HydrophobicContact CB-CB 3.81Å; C264-C291 WeakPolarHBondContact CB-SG 3.18Å; C264-C291 WeakPolarHBondContact SG-CA 3.34Å; C264-C291 WeakPolarHBondContact SG-CB 3.41Å; C264-C291 CovalentContact SG-SG 2.04Å; C264-C291 PolarHBondContact SG-SG 3.48Å
265	P	90.4	Very high	89.1	Confident	21 Å²	21	50.9 Å²	50.9	14%	0.136	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-50.1	121.4	168.7	-29.3	35.4	0	0	0	111.7	E282 K284	P265-E282 WeakPolarHBondContact CB-O 3.28Å; P265-K284 HydrophobicContact CG-CB 4.48Å; P265-K284 HydrophobicContact CG-CD 4.29Å; P265-K284 HydrophobicContact CG-CG 4.36Å; P265-K284 PolarHBondContact O-N 2.87Å
266	P	87.9	Confident	88.8	Confident	47 Å²	47	52.8 Å²	52.8	31%	0.305	29%	0.291	S	S	.	.	P	Polyproline II helix	trans	-66.7	148.9	-171.7	27.3	-34.9	0	0	0	111.4	M268 L269 N280 G283 M600	P266-M268 VanDerWaalsContact C-N 3.26Å; P266-M268 PolarHBondContact O-N 3.01Å; P266-L269 HydrophobicContact CG-CD2 4.34Å; P266-N280 WeakPolarHBondContact O-CB 3.33Å; P266-N280 PolarHBondContact O-ND2 2.82Å; P266-G283 WeakPolarHBondContact O-CA 3.18Å; P266-M600 HydrophobicContact CG-CB 3.8Å; P266-M600 HydrophobicContact CG-CG 4.08Å
267	L	87.8	Confident	88.5	Confident	46 Å²	46	57.3 Å²	57.3	24%	0.241	31%	0.313	C	S	.	.	S	Bend	trans	-71.3	-20.9	-179.1	-62	176.4	0	0	0	113.5	N280 Y285	L267-N280 WeakPolarHBondContact O-CB 3.43Å; L267-N280 PolarHBondContact O-N 3.43Å; L267-Y285 HydrophobicContact CD1-CD1 3.8Å; L267-Y285 HydrophobicContact CD1-CE1 3.43Å; L267-Y285 VanDerWaalsContact CD1-CE1 3.43Å; L267-Y285 HydrophobicContact CD2-CD1 4.12Å; L267-Y285 HydrophobicContact CD2-CD2 4.24Å; L267-Y285 HydrophobicContact CD2-CE1 3.9Å; L267-Y285 HydrophobicContact CD2-CE2 4.02Å; L267-Y285 HydrophobicContact CD2-CG 4.28Å; L267-Y285 HydrophobicContact CG-CE1 4.33Å
268	M	85	Confident	88.4	Confident	78 Å²	78	55.1 Å²	55.1	38%	0.384	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	146.8	178.8	-52.3	-60.4	-69.2	0	0	110.2	P266 M277 D278 V279	P266-M268 VanDerWaalsContact C-N 3.26Å; P266-M268 PolarHBondContact O-N 3.01Å; M268-M277 HydrophobicContact CB-CB 4.35Å; M268-M277 HydrophobicContact CB-CE 3.66Å; M268-M277 HydrophobicContact CE-CB 4.26Å; M268-M277 WeakPolarHBondContact CE-O 3.21Å; M268-D278 CarbonylContact C-O 3.46Å; M268-D278 WeakPolarHBondContact CA-O 3.26Å; M268-V279 HydrophobicContact CE-CG2 4Å; M268-V279 HydrophobicContact SD-CB 4.44Å; M268-V279 HydrophobicContact SD-CG2 3.99Å
269	L	88.1	Confident	88.3	Confident	17 Å²	17	57.6 Å²	57.6	9%	0.089	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	143	173.2	-58.5	-178.6	0	0	0	109.8	P266 N271 M277 D278 N280 M600	P266-L269 HydrophobicContact CG-CD2 4.34Å; L269-N271 PolarHBondContact O-N 3.03Å; L269-M277 CarbonylContact O-C 3.57Å; L269-M277 WeakPolarHBondContact O-CA 3.46Å; L269-D278 PolarHBondContact N-O 3.06Å; L269-D278 PolarHBondContact O-N 3.19Å; L269-N280 HydrophobicContact CD1-CB 4.24Å; L269-N280 HydrophobicContact CD2-CB 4.08Å; L269-N280 HydrophobicContact CG-CB 3.75Å; L269-M600 WeakPolarHBondContact CA-O 3.17Å; L269-M600 HydrophobicContact CD2-CB 4.09Å; L269-M600 HydrophobicContact CD2-CG 3.6Å
270	Y	87.8	Confident	88.1	Confident	13 Å²	13	57 Å²	57	5%	0.051	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	120.5	169	179.5	-85.8	0	0	0	109.5	P272 Y275 M277 D587 P596 V599 M600 G601 V607 K609	Y270-P272 WeakPolarHBondContact O-CD 3.13Å; Y270-Y275 WeakPolarHBondContact CE2-O 3.41Å; Y270-Y275 WeakPolarHBondContact OH-CD1 3.07Å; Y270-M277 HydrophobicContact CD2-SD 4.02Å; Y270-M277 HydrophobicContact CG-SD 4.42Å; Y270-D587 PolarHBondContact OH-OD1 3.22Å; Y270-D587 PolarHBondContact OH-OD2 3.5Å; Y270-P596 HydrophobicContact CE2-CG 4.15Å; Y270-V599 HydrophobicContact CD1-CG2 4.35Å; Y270-V599 HydrophobicContact CD2-CG2 4.46Å; Y270-V599 HydrophobicContact CG-CG2 3.93Å; Y270-M600 PolarHBondContact N-O 3.32Å; Y270-G601 VanDerWaalsContact O-CA 3.23Å; Y270-G601 WeakPolarHBondContact O-CA 2.99Å; Y270-V607 HydrophobicContact CD1-CB 4.32Å; Y270-V607 HydrophobicContact CD1-CG1 3.93Å; Y270-V607 HydrophobicContact CD1-CG2 4.17Å; Y270-V607 HydrophobicContact CE1-CG1 4.05Å; Y270-K609 WeakPolarHBondContact OH-CE 3.31Å; Y270-K609 PolarHBondContact OH-NZ 2.84Å
271	N	89.3	Confident	87.8	Confident	15 Å²	15	62.3 Å²	62.3	8%	0.08	34%	0.344	C	S	.	.			trans	-89.2	115.1	177	-171.7	-39.2	0	0	0	110.4	L269 T273 T274 Y275 Q276 D278 E602	L269-N271 PolarHBondContact O-N 3.03Å; N271-T273 PolarHBondContact O-N 3.11Å; N271-T273 VanDerWaalsContact O-N 3.11Å; N271-T273 VanDerWaalsContact OD1-CB 3.3Å; N271-T273 WeakPolarHBondContact OD1-CB 3.34Å; N271-T273 PolarHBondContact OD1-N 2.67Å; N271-T273 PolarHBondContact OD1-OG1 2.81Å; N271-T274 WeakPolarHBondContact CB-OG1 3.36Å; N271-T274 PolarHBondContact OD1-N 2.81Å; N271-Y275 WeakPolarHBondContact O-CA 3.32Å; N271-Y275 PolarHBondContact O-N 3.15Å; N271-Q276 PolarHBondContact N-O 2.9Å; N271-D278 VanDerWaalsContact CB-OD2 3.25Å; N271-D278 WeakPolarHBondContact CB-OD2 3.28Å; N271-D278 PolarHBondContact ND2-OD2 3.01Å; N271-E602 PolarHBondContact ND2-OE1 3.01Å
272	P	86.3	Confident	87.6	Confident	35 Å²	35	63.8 Å²	63.8	23%	0.227	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-13.2	-177.8	-20.4	34.2	0	0	0	115.3	Y270 V607 L619	Y270-P272 WeakPolarHBondContact O-CD 3.13Å; P272-V607 HydrophobicContact CG-CG2 4.02Å; P272-L619 HydrophobicContact CB-CD1 3.97Å; P272-L619 HydrophobicContact CB-CD2 4.18Å
273	T	86.9	Confident	87.6	Confident	115 Å²	115	60.7 Å²	60.7	71%	0.706	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.4	-42.8	-177.1	-43.1	0	0	0	0	111.8	N271	N271-T273 PolarHBondContact O-N 3.11Å; N271-T273 VanDerWaalsContact O-N 3.11Å; N271-T273 VanDerWaalsContact OD1-CB 3.3Å; N271-T273 WeakPolarHBondContact OD1-CB 3.34Å; N271-T273 PolarHBondContact OD1-N 2.67Å; N271-T273 PolarHBondContact OD1-OG1 2.81Å
274	T	88.9	Confident	87.7	Confident	64 Å²	64	56.8 Å²	56.8	39%	0.393	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-15.5	179.6	64.4	0	0	0	0	113	N271 Q276	N271-T274 WeakPolarHBondContact CB-OG1 3.36Å; N271-T274 PolarHBondContact OD1-N 2.81Å; T274-Q276 PolarHBondContact O-N 3.32Å; T274-Q276 PolarHBondContact OG1-N 3.07Å
275	Y	86.7	Confident	87.7	Confident	74 Å²	74	58.5 Å²	58.5	29%	0.29	32%	0.317	S	S	.	.	S	Bend	trans	65.1	6.1	-171.8	-59.9	-111.3	0	0	0	114	Y270 N271 D587 G588 H590 K609	Y270-Y275 WeakPolarHBondContact CE2-O 3.41Å; Y270-Y275 WeakPolarHBondContact OH-CD1 3.07Å; N271-Y275 WeakPolarHBondContact O-CA 3.32Å; N271-Y275 PolarHBondContact O-N 3.15Å; Y275-D587 VanDerWaalsContact CD1-C 3.47Å; Y275-G588 VanDerWaalsContact CD1-CA 3.41Å; Y275-G588 VanDerWaalsContact CD1-N 3.33Å; Y275-G588 VanDerWaalsContact CE1-CA 3.43Å; Y275-G588 VanDerWaalsContact CE1-N 3.29Å; Y275-H590 PolarHBondContact O-NE2 3.5Å; Y275-K609 VanDerWaalsContact CD1-NZ 3.25Å
276	Q	87.1	Confident	87.7	Confident	108 Å²	108	58.6 Å²	58.6	51%	0.505	32%	0.318	S	S	.	.	S	Bend	trans	-100.2	173.8	-177.9	-64.1	-174	0.1	0	0	112.6	N271 T274	N271-Q276 PolarHBondContact N-O 2.9Å; T274-Q276 PolarHBondContact O-N 3.32Å; T274-Q276 PolarHBondContact OG1-N 3.07Å
277	M	84	Confident	87.6	Confident	100 Å²	100	57.4 Å²	57.4	49%	0.493	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	108.7	176.1	-63.9	-60.4	-56.3	0	0	110.4	M268 L269 Y270	M268-M277 HydrophobicContact CB-CB 4.35Å; M268-M277 HydrophobicContact CB-CE 3.66Å; M268-M277 HydrophobicContact CE-CB 4.26Å; M268-M277 WeakPolarHBondContact CE-O 3.21Å; L269-M277 CarbonylContact O-C 3.57Å; L269-M277 WeakPolarHBondContact O-CA 3.46Å; Y270-M277 HydrophobicContact CD2-SD 4.02Å; Y270-M277 HydrophobicContact CG-SD 4.42Å
278	D	87.7	Confident	87.4	Confident	64 Å²	64	57.4 Å²	57.4	34%	0.342	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	158.1	177.1	-70.9	-26.1	0	0	0	111.6	M268 L269 N271	M268-D278 CarbonylContact C-O 3.46Å; M268-D278 WeakPolarHBondContact CA-O 3.26Å; L269-D278 PolarHBondContact N-O 3.06Å; L269-D278 PolarHBondContact O-N 3.19Å; N271-D278 VanDerWaalsContact CB-OD2 3.25Å; N271-D278 WeakPolarHBondContact CB-OD2 3.28Å; N271-D278 PolarHBondContact ND2-OD2 3.01Å
279	V	86.7	Confident	87.4	Confident	113 Å²	113	54.7 Å²	54.7	69%	0.685	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.2	130.2	179.4	-178.4	0	0	0	0	111	M268 P281	M268-V279 HydrophobicContact CE-CG2 4Å; M268-V279 HydrophobicContact SD-CB 4.44Å; M268-V279 HydrophobicContact SD-CG2 3.99Å; V279-P281 WeakPolarHBondContact O-CD 2.96Å
280	N	87.6	Confident	87.4	Confident	23 Å²	23	55.7 Å²	55.7	12%	0.123	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-78.9	119.1	178	-171.6	-1.2	0	0	0	112.2	P266 L267 L269 E282 G283	P266-N280 WeakPolarHBondContact O-CB 3.33Å; P266-N280 PolarHBondContact O-ND2 2.82Å; L267-N280 WeakPolarHBondContact O-CB 3.43Å; L267-N280 PolarHBondContact O-N 3.43Å; L269-N280 HydrophobicContact CD1-CB 4.24Å; L269-N280 HydrophobicContact CD2-CB 4.08Å; L269-N280 HydrophobicContact CG-CB 3.75Å; N280-E282 PolarHBondContact O-N 2.87Å; N280-E282 PolarHBondContact OD1-N 3.26Å; N280-G283 VanDerWaalsContact CG-N 3.31Å; N280-G283 PolarHBondContact ND2-N 3.43Å; N280-G283 PolarHBondContact O-N 2.87Å; N280-G283 VanDerWaalsContact O-N 3.08Å
281	P	86.9	Confident	87.6	Confident	116 Å²	116	55.6 Å²	55.6	75%	0.753	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-26.6	174.5	-22	34.8	0	0	0	114.1	V279	V279-P281 WeakPolarHBondContact O-CD 2.96Å
282	E	87.4	Confident	87.6	Confident	104 Å²	104	56.2 Å²	56.2	49%	0.486	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.7	15.1	175.5	-72.8	-59.9	145.8	0	0	112.9	P265 N280 K293	P265-E282 WeakPolarHBondContact CB-O 3.28Å; N280-E282 PolarHBondContact O-N 2.87Å; N280-E282 PolarHBondContact OD1-N 3.26Å; E282-K293 IonicContact OE1-NZ 2.79Å; E282-K293 PolarHBondContact OE1-NZ 2.99Å; E282-K293 VanDerWaalsContact OE2-CE 3.26Å; E282-K293 WeakPolarHBondContact OE2-CE 3.49Å; E282-K293 IonicContact OE2-NZ 2.67Å; E282-K293 PolarHBondContact OE2-NZ 3.18Å
283	G	87.9	Confident	87.7	Confident	10 Å²	10	59.7 Å²	59.7	10%	0.103	33%	0.333	C	S	.	.			trans	-61.2	136.9	174.8	0	0	0	0	0	112	P266 N280	P266-G283 WeakPolarHBondContact O-CA 3.18Å; N280-G283 VanDerWaalsContact CG-N 3.31Å; N280-G283 PolarHBondContact ND2-N 3.43Å; N280-G283 PolarHBondContact O-N 2.87Å; N280-G283 VanDerWaalsContact O-N 3.08Å
284	K	91.6	Very high	87.6	Confident	14 Å²	14	62.8 Å²	62.8	6%	0.061	34%	0.336	C	S	.	.			trans	-131.2	133.5	178.3	-64.4	-175.5	-171.5	177.5	0	111	D256 E257 P265 C291 V292 K293	D256-K284 VanDerWaalsContact OD1-CD 3.25Å; D256-K284 WeakPolarHBondContact OD1-CD 3.36Å; D256-K284 WeakPolarHBondContact OD1-CE 3.32Å; D256-K284 IonicContact OD1-NZ 3.78Å; D256-K284 PolarHBondContact OD1-NZ 3.24Å; D256-K284 IonicContact OD2-NZ 3.43Å; E257-K284 IonicContact OE1-NZ 3.73Å; E257-K284 PolarHBondContact OE1-NZ 3.39Å; P265-K284 HydrophobicContact CG-CB 4.48Å; P265-K284 HydrophobicContact CG-CD 4.29Å; P265-K284 HydrophobicContact CG-CG 4.36Å; P265-K284 PolarHBondContact O-N 2.87Å; K284-C291 HydrophobicContact CB-CB 3.96Å; K284-C291 HydrophobicContact CD-CB 3.99Å; K284-V292 CarbonylContact C-O 3.57Å; K284-V292 WeakPolarHBondContact CA-O 3.13Å; K284-K293 HydrophobicContact CD-CG 4.41Å; K284-K293 HydrophobicContact CG-CG 4.06Å
285	Y	89.8	Confident	87.2	Confident	52 Å²	52	61.2 Å²	61.2	20%	0.204	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	148.6	173.5	-58	-90.3	0	0	0	110.4	L267 C291 V292 V301 G305 C307	L267-Y285 HydrophobicContact CD1-CD1 3.8Å; L267-Y285 HydrophobicContact CD1-CE1 3.43Å; L267-Y285 VanDerWaalsContact CD1-CE1 3.43Å; L267-Y285 HydrophobicContact CD2-CD1 4.12Å; L267-Y285 HydrophobicContact CD2-CD2 4.24Å; L267-Y285 HydrophobicContact CD2-CE1 3.9Å; L267-Y285 HydrophobicContact CD2-CE2 4.02Å; L267-Y285 HydrophobicContact CD2-CG 4.28Å; L267-Y285 HydrophobicContact CG-CE1 4.33Å; Y285-C291 CarbonylContact O-C 3.53Å; Y285-C291 WeakPolarHBondContact O-CA 3.31Å; Y285-V292 PolarHBondContact N-O 3.01Å; Y285-V292 PolarHBondContact O-N 3.45Å; Y285-V301 HydrophobicContact CD1-CG1 4.06Å; Y285-V301 HydrophobicContact CD1-CG2 4.07Å; Y285-V301 HydrophobicContact CE1-CB 4.43Å; Y285-V301 HydrophobicContact CE1-CG1 3.68Å; Y285-V301 HydrophobicContact CE1-CG2 3.79Å; Y285-G305 CarbonylContact C-O 3.58Å; Y285-G305 WeakPolarHBondContact CA-O 3.31Å; Y285-G305 WeakPolarHBondContact CB-O 3.33Å; Y285-C307 VanDerWaalsContact CB-SG 3.53Å
286	S	91.3	Very high	86.7	Confident	23 Å²	23	60 Å²	60	16%	0.161	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	122	171.9	51.7	0	0	0	0	110.9	G305 S306 C307	S286-G305 PolarHBondContact N-O 2.9Å; S286-G305 PolarHBondContact OG-O 2.92Å; S286-S306 CarbonylContact O-C 3.42Å; S286-S306 WeakPolarHBondContact O-CA 3.46Å; S286-S306 WeakPolarHBondContact OG-CA 3.31Å; S286-S306 VanDerWaalsContact OG-CB 3.26Å; S286-S306 WeakPolarHBondContact OG-CB 3.24Å; S286-C307 PolarHBondContact O-N 3.15Å
287	F	84.6	Confident	85.9	Confident	22 Å²	22	66.1 Å²	66.1	10%	0.096	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	98.4	176	175.6	-123.8	0	0	0	109.3	V30 L62 A289 T290 V292 P296 Y299 C307	V30-F287 HydrophobicContact CG1-CE1 4.41Å; V30-F287 HydrophobicContact CG2-CE1 4.47Å; V30-F287 HydrophobicContact CG2-CZ 4.49Å; L62-F287 HydrophobicContact CD1-CE2 4.01Å; L62-F287 HydrophobicContact CD1-CZ 3.71Å; F287-A289 PolarHBondContact O-N 3.04Å; F287-T290 PolarHBondContact N-O 3.21Å; F287-T290 PolarHBondContact O-N 3.35Å; F287-T290 PolarHBondContact O-OG1 3.45Å; F287-V292 HydrophobicContact CB-CG1 4.29Å; F287-V292 HydrophobicContact CB-CG2 3.86Å; F287-P296 HydrophobicContact CD1-CG 4.3Å; F287-P296 HydrophobicContact CD2-CG 4.3Å; F287-P296 HydrophobicContact CE1-CG 4.1Å; F287-P296 HydrophobicContact CE2-CG 4.11Å; F287-P296 HydrophobicContact CG-CG 4.4Å; F287-P296 HydrophobicContact CZ-CG 4Å; F287-Y299 HydrophobicContact CD2-CE1 4.34Å; F287-Y299 HydrophobicContact CE2-CD1 4.18Å; F287-Y299 AromaticContact CE2-CE1 3.63Å; F287-Y299 HydrophobicContact CE2-CE1 3.63Å; F287-Y299 HydrophobicContact CE2-CE2 4.33Å; F287-Y299 AromaticContact CE2-CZ 3.72Å; F287-C307 HydrophobicContact CB-CB 4.23Å; F287-C307 HydrophobicContact CD2-CB 4Å
288	G	83	Confident	85.1	Confident	45 Å²	45	67.8 Å²	67.8	46%	0.464	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.2	-106.5	-170.2	0	0	0	0	0	111
289	A	85.9	Confident	84.4	Confident	21 Å²	21	66.4 Å²	66.4	17%	0.174	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.8	18.8	177.3	0	0	0	0	0	113.6	F254 R255 F287	F254-A289 CarbonylContact C-O 3.55Å; F254-A289 WeakPolarHBondContact CA-O 3.4Å; R255-A289 PolarHBondContact N-O 3.39Å; F287-A289 PolarHBondContact O-N 3.04Å
290	T	88.6	Confident	83.9	Confident	38 Å²	38	61 Å²	61	23%	0.233	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	158.2	175	66.7	0	0	0	0	112.4	R255 F287	R255-T290 HydrophobicContact CB-CG2 4.38Å; R255-T290 WeakPolarHBondContact O-CA 3.37Å; F287-T290 PolarHBondContact N-O 3.21Å; F287-T290 PolarHBondContact O-N 3.35Å; F287-T290 PolarHBondContact O-OG1 3.45Å
291	C	91.4	Very high	83.9	Confident	11 Å²	11	60.7 Å²	60.7	7%	0.074	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	126.1	173.7	-54.6	0	0	0	0	110.4	R255 D256 C264 K284 Y285	R255-C291 PolarHBondContact O-N 2.68Å; D256-C291 HydrophobicContact CB-CB 4.14Å; C264-C291 WeakPolarHBondContact CA-SG 3.44Å; C264-C291 HydrophobicContact CB-CB 3.81Å; C264-C291 WeakPolarHBondContact CB-SG 3.18Å; C264-C291 WeakPolarHBondContact SG-CA 3.34Å; C264-C291 WeakPolarHBondContact SG-CB 3.41Å; C264-C291 CovalentContact SG-SG 2.04Å; C264-C291 PolarHBondContact SG-SG 3.48Å; K284-C291 HydrophobicContact CB-CB 3.96Å; K284-C291 HydrophobicContact CD-CB 3.99Å; Y285-C291 CarbonylContact O-C 3.53Å; Y285-C291 WeakPolarHBondContact O-CA 3.31Å
292	V	89.2	Confident	83.8	Confident	29 Å²	29	56.5 Å²	56.5	18%	0.176	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	138.5	-174.1	-63.3	0	0	0	0	112	K284 Y285 F287 K294	K284-V292 CarbonylContact C-O 3.57Å; K284-V292 WeakPolarHBondContact CA-O 3.13Å; Y285-V292 PolarHBondContact N-O 3.01Å; Y285-V292 PolarHBondContact O-N 3.45Å; F287-V292 HydrophobicContact CB-CG1 4.29Å; F287-V292 HydrophobicContact CB-CG2 3.86Å; V292-K294 WeakPolarHBondContact CG2-O 3.49Å; V292-K294 PolarHBondContact O-N 3.48Å
293	K	87.6	Confident	83.4	Confident	107 Å²	107	56.6 Å²	56.6	47%	0.465	29%	0.291	S	S	.	.	S	Bend	trans	-68	-20.8	179.9	-70.7	-161.2	171.9	-156.6	0	113.6	E282 K284	E282-K293 IonicContact OE1-NZ 2.79Å; E282-K293 PolarHBondContact OE1-NZ 2.99Å; E282-K293 VanDerWaalsContact OE2-CE 3.26Å; E282-K293 WeakPolarHBondContact OE2-CE 3.49Å; E282-K293 IonicContact OE2-NZ 2.67Å; E282-K293 PolarHBondContact OE2-NZ 3.18Å; K284-K293 HydrophobicContact CD-CG 4.41Å; K284-K293 HydrophobicContact CG-CG 4.06Å
294	K	84.9	Confident	82.9	Confident	180 Å²	180	64 Å²	64	78%	0.783	32%	0.322	S	S	*	.	S	Bend	trans	-146	145.5	171	-63.8	-169.7	178.2	-170.5	0	109.6	V292	V292-K294 WeakPolarHBondContact CG2-O 3.49Å; V292-K294 PolarHBondContact O-N 3.48Å
295	C	80.8	Confident	82.6	Confident	31 Å²	31	63.6 Å²	63.6	21%	0.209	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-65.5	149.4	172.2	-66.3	0	0	0	0	111.7	C307	C295-C307 WeakPolarHBondContact CA-SG 3.47Å; C295-C307 HydrophobicContact CB-CB 3.77Å; C295-C307 WeakPolarHBondContact CB-SG 3.46Å; C295-C307 VanDerWaalsContact SG-CA 3.56Å; C295-C307 WeakPolarHBondContact SG-CB 3.4Å; C295-C307 CovalentContact SG-SG 2.04Å; C295-C307 PolarHBondContact SG-SG 2.86Å
296	P	76.7	Confident	82.4	Confident	49 Å²	49	62.6 Å²	62.6	32%	0.318	32%	0.323	S	S	.	.	P	Polyproline II helix	trans	-61.6	157.8	174.2	-20.6	32.5	0	0	0	112.4	F287 Y299	F287-P296 HydrophobicContact CD1-CG 4.3Å; F287-P296 HydrophobicContact CD2-CG 4.3Å; F287-P296 HydrophobicContact CE1-CG 4.1Å; F287-P296 HydrophobicContact CE2-CG 4.11Å; F287-P296 HydrophobicContact CG-CG 4.4Å; F287-P296 HydrophobicContact CZ-CG 4Å; P296-Y299 HydrophobicContact CB-CD2 3.79Å; P296-Y299 HydrophobicContact CB-CE2 4.12Å; P296-Y299 HydrophobicContact CG-CD2 4.25Å; P296-Y299 HydrophobicContact CG-CE2 4.47Å; P296-Y299 WeakPolarHBondContact O-CB 3.45Å; P296-Y299 PolarHBondContact O-N 2.91Å
297	R	69.6	Low	82.1	Confident	236 Å²	236	62 Å²	62	89%	0.891	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	144.6	174.4	-67.9	-176.4	179.3	177.1	-0.3	110.7	Y299	R297-Y299 PolarHBondContact O-N 3.12Å
298	N	67.4	Low	81.7	Confident	136 Å²	136	63 Å²	63	73%	0.727	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.3	11.5	-175.6	-52.1	-4.2	0	0	0	115.5	R324	N298-R324 PolarHBondContact O-NH2 3.34Å
299	Y	73.9	Confident	80.9	Confident	35 Å²	35	67.2 Å²	67.2	14%	0.137	33%	0.329	C	S	.	.			trans	-96.8	165.9	164.9	-71.6	-105	0	0	0	111.3	F287 P296 R297 C307 V308 R309 R324	F287-Y299 HydrophobicContact CD2-CE1 4.34Å; F287-Y299 HydrophobicContact CE2-CD1 4.18Å; F287-Y299 AromaticContact CE2-CE1 3.63Å; F287-Y299 HydrophobicContact CE2-CE1 3.63Å; F287-Y299 HydrophobicContact CE2-CE2 4.33Å; F287-Y299 AromaticContact CE2-CZ 3.72Å; P296-Y299 HydrophobicContact CB-CD2 3.79Å; P296-Y299 HydrophobicContact CB-CE2 4.12Å; P296-Y299 HydrophobicContact CG-CD2 4.25Å; P296-Y299 HydrophobicContact CG-CE2 4.47Å; P296-Y299 WeakPolarHBondContact O-CB 3.45Å; P296-Y299 PolarHBondContact O-N 2.91Å; R297-Y299 PolarHBondContact O-N 3.12Å; Y299-C307 HydrophobicContact CD1-CB 4.39Å; Y299-V308 CarbonylContact C-O 3.05Å; Y299-V308 WeakPolarHBondContact CA-O 3.49Å; Y299-V308 WeakPolarHBondContact CB-O 3.22Å; Y299-V308 WeakPolarHBondContact CD1-O 3.49Å; Y299-R309 HydrophobicContact CD1-CG 3.96Å; Y299-R309 HydrophobicContact CE1-CG 3.39Å; Y299-R309 PolarHBondContact OH-NE 3.49Å; Y299-R309 VanDerWaalsContact OH-NE 3.09Å; Y299-R309 PolarHBondContact OH-NH2 3.33Å; Y299-R324 PolarHBondContact O-NH2 3.07Å
300	V	75.9	Confident	80	Confident	0 Å²	0	69.4 Å²	69.4	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	144.2	-176.8	-165.9	0	0	0	0	107.8	V308 E317 R324 C326	V300-V308 HydrophobicContact CB-CG2 4.35Å; V300-V308 PolarHBondContact N-O 3Å; V300-V308 WeakPolarHBondContact O-CG2 3.49Å; V300-V308 PolarHBondContact O-N 3.21Å; V300-E317 HydrophobicContact CG1-CG 3.96Å; V300-E317 HydrophobicContact CG2-CG 4.22Å; V300-R324 CarbonylContact C-O 3.59Å; V300-R324 WeakPolarHBondContact CA-O 3.18Å; V300-R324 HydrophobicContact CG1-CB 4.2Å; V300-R324 VanDerWaalsContact CG1-O 3.28Å; V300-R324 WeakPolarHBondContact CG1-O 3.43Å; V300-C326 WeakPolarHBondContact CG1-SG 3.17Å
301	V	87.1	Confident	79.4	Confident	15 Å²	15	69 Å²	69	9%	0.091	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	131.8	-178.6	172.8	0	0	0	0	110.6	Y285 V323 R324 K325 C326	Y285-V301 HydrophobicContact CD1-CG1 4.06Å; Y285-V301 HydrophobicContact CD1-CG2 4.07Å; Y285-V301 HydrophobicContact CE1-CB 4.43Å; Y285-V301 HydrophobicContact CE1-CG1 3.68Å; Y285-V301 HydrophobicContact CE1-CG2 3.79Å; V301-V323 HydrophobicContact CB-CG1 4.25Å; V301-V323 HydrophobicContact CG2-CG1 3.69Å; V301-R324 PolarHBondContact N-O 2.98Å; V301-K325 CarbonylContact O-C 3.55Å; V301-K325 VanDerWaalsContact O-CA 3.3Å; V301-K325 WeakPolarHBondContact O-CA 3.41Å; V301-C326 PolarHBondContact O-N 3.36Å
302	T	85.6	Confident	78.5	Confident	29 Å²	29	70.8 Å²	70.8	18%	0.178	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	161.8	169.9	65.9	0	0	0	0	112.6	H304 G305 S306 V308	T302-H304 PolarHBondContact O-N 3.04Å; T302-H304 PolarHBondContact OG1-N 3.49Å; T302-G305 PolarHBondContact O-N 2.81Å; T302-S306 WeakPolarHBondContact CG2-OG 3.43Å; T302-S306 PolarHBondContact N-O 3.32Å; T302-S306 PolarHBondContact OG1-N 3.17Å; T302-S306 VanDerWaalsContact OG1-N 3.08Å; T302-S306 PolarHBondContact OG1-O 2.86Å; T302-S306 PolarHBondContact OG1-OG 3.08Å; T302-V308 HydrophobicContact CG2-CB 4.4Å; T302-V308 HydrophobicContact CG2-CG1 3.76Å; T302-V308 HydrophobicContact CG2-CG2 3.7Å
303	D	79.4	Confident	77.6	Confident	105 Å²	105	73.8 Å²	73.8	56%	0.561	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.7	-27.3	168.9	-61.3	-29.1	0	0	0	113.5
304	H	77	Confident	77.2	Confident	165 Å²	165	74.9 Å²	74.9	76%	0.764	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.4	8.9	-178.8	-56	-42.8	0	0	0	113.7	T302	T302-H304 PolarHBondContact O-N 3.04Å; T302-H304 PolarHBondContact OG1-N 3.49Å
305	G	84.8	Confident	76.9	Confident	6 Å²	6	67.7 Å²	67.7	6%	0.062	38%	0.376	C	S	.	.	S	Bend	trans	71.2	28.6	179.1	0	0	0	0	0	114.4	Y285 S286 T302	Y285-G305 CarbonylContact C-O 3.58Å; Y285-G305 WeakPolarHBondContact CA-O 3.31Å; Y285-G305 WeakPolarHBondContact CB-O 3.33Å; S286-G305 PolarHBondContact N-O 2.9Å; S286-G305 PolarHBondContact OG-O 2.92Å; T302-G305 PolarHBondContact O-N 2.81Å
306	S	86.8	Confident	76.9	Confident	32 Å²	32	71 Å²	71	22%	0.224	39%	0.385	C	S	.	.	B	Isolated β-bridge	trans	-101.6	143.5	173.4	70.9	0	0	0	0	112.6	S286 T302	S286-S306 CarbonylContact O-C 3.42Å; S286-S306 WeakPolarHBondContact O-CA 3.46Å; S286-S306 WeakPolarHBondContact OG-CA 3.31Å; S286-S306 VanDerWaalsContact OG-CB 3.26Å; S286-S306 WeakPolarHBondContact OG-CB 3.24Å; T302-S306 WeakPolarHBondContact CG2-OG 3.43Å; T302-S306 PolarHBondContact N-O 3.32Å; T302-S306 PolarHBondContact OG1-N 3.17Å; T302-S306 VanDerWaalsContact OG1-N 3.08Å; T302-S306 PolarHBondContact OG1-O 2.86Å; T302-S306 PolarHBondContact OG1-OG 3.08Å
307	C	83.1	Confident	77	Confident	11 Å²	11	72.7 Å²	72.7	7%	0.074	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	103.9	177	-54.8	0	0	0	0	110.2	Y285 S286 F287 C295 Y299	Y285-C307 VanDerWaalsContact CB-SG 3.53Å; S286-C307 PolarHBondContact O-N 3.15Å; F287-C307 HydrophobicContact CB-CB 4.23Å; F287-C307 HydrophobicContact CD2-CB 4Å; C295-C307 WeakPolarHBondContact CA-SG 3.47Å; C295-C307 HydrophobicContact CB-CB 3.77Å; C295-C307 WeakPolarHBondContact CB-SG 3.46Å; C295-C307 VanDerWaalsContact SG-CA 3.56Å; C295-C307 WeakPolarHBondContact SG-CB 3.4Å; C295-C307 CovalentContact SG-SG 2.04Å; C295-C307 PolarHBondContact SG-SG 2.86Å; Y299-C307 HydrophobicContact CD1-CB 4.39Å
308	V	77.3	Confident	77.6	Confident	42 Å²	42	63.5 Å²	63.5	26%	0.255	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	159.6	177.9	-63.2	0	0	0	0	111.3	Y299 V300 T302 A310	Y299-V308 CarbonylContact C-O 3.05Å; Y299-V308 WeakPolarHBondContact CA-O 3.49Å; Y299-V308 WeakPolarHBondContact CB-O 3.22Å; Y299-V308 WeakPolarHBondContact CD1-O 3.49Å; V300-V308 HydrophobicContact CB-CG2 4.35Å; V300-V308 PolarHBondContact N-O 3Å; V300-V308 WeakPolarHBondContact O-CG2 3.49Å; V300-V308 PolarHBondContact O-N 3.21Å; T302-V308 HydrophobicContact CG2-CB 4.4Å; T302-V308 HydrophobicContact CG2-CG1 3.76Å; T302-V308 HydrophobicContact CG2-CG2 3.7Å; V308-A310 VanDerWaalsContact CG2-O 3.3Å; V308-A310 WeakPolarHBondContact CG2-O 3.07Å
309	R	66.1	Low	78.2	Confident	134 Å²	134	63.5 Å²	63.5	51%	0.506	35%	0.352	S	S	.	.	S	Bend	trans	-79	-31.7	177.8	-74.6	-169	173.7	-151.4	1.5	113.7	Q32 Y299	Q32-R309 VanDerWaalsContact CD-CZ 3.42Å; Y299-R309 HydrophobicContact CD1-CG 3.96Å; Y299-R309 HydrophobicContact CE1-CG 3.39Å; Y299-R309 PolarHBondContact OH-NE 3.49Å; Y299-R309 VanDerWaalsContact OH-NE 3.09Å; Y299-R309 PolarHBondContact OH-NH2 3.33Å
310	A	67.6	Low	78.3	Confident	66 Å²	66	65.9 Å²	65.9	55%	0.545	37%	0.365	S	S	.	.	S	Bend	trans	-151.3	160.8	178.9	0	0	0	0	0	107.8	V308	V308-A310 VanDerWaalsContact CG2-O 3.3Å; V308-A310 WeakPolarHBondContact CG2-O 3.07Å
311	C	76.2	Confident	78.1	Confident	29 Å²	29	72.9 Å²	72.9	20%	0.196	40%	0.402	C	S	.	.			trans	-73.8	160.3	177.9	-53.5	0	0	0	0	112.1	C326	C311-C326 WeakPolarHBondContact CA-SG 3.31Å; C311-C326 HydrophobicContact CB-CB 3.75Å; C311-C326 WeakPolarHBondContact CB-SG 3.44Å; C311-C326 WeakPolarHBondContact SG-CA 3.43Å; C311-C326 WeakPolarHBondContact SG-CB 3.03Å; C311-C326 CovalentContact SG-SG 2.04Å; C311-C326 PolarHBondContact SG-SG 2.01Å
312	G	71.1	Confident	77.4	Confident	50 Å²	50	75 Å²	75	52%	0.515	43%	0.427	S	S	.	.			trans	-65.4	163.1	170.5	0	0	0	0	0	111.6	D314 S315	G312-D314 PolarHBondContact O-N 2.96Å; G312-S315 PolarHBondContact O-N 3.08Å
313	A	70.9	Confident	77	Confident	91 Å²	91	76.1 Å²	76.1	75%	0.752	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-20.4	-176.3	0	0	0	0	0	114.5	C333	A313-C333 PolarHBondContact O-SG 2.93Å
314	D	78.6	Confident	76.9	Confident	131 Å²	131	74.7 Å²	74.7	70%	0.701	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.2	17.1	178	-45.4	-64.2	0	0	0	112.8	G312 C329 C333	G312-D314 PolarHBondContact O-N 2.96Å; D314-C329 PolarHBondContact O-N 2.77Å; D314-C333 WeakPolarHBondContact CA-SG 3.38Å
315	S	80	Confident	77.3	Confident	28 Å²	28	69.5 Å²	69.5	20%	0.196	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	152	-179.5	-60.5	0	0	0	0	112.5	G312 K327 C333	G312-S315 PolarHBondContact O-N 3.08Å; S315-K327 CarbonylContact C-O 3.58Å; S315-K327 VanDerWaalsContact CA-O 3.22Å; S315-K327 WeakPolarHBondContact CA-O 3.21Å; S315-K327 VanDerWaalsContact CB-O 3.32Å; S315-K327 WeakPolarHBondContact CB-O 3.27Å; S315-C333 PolarHBondContact N-SG 3.49Å
316	Y	79.9	Confident	77.2	Confident	101 Å²	101	69.6 Å²	69.6	40%	0.396	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	155.5	177.1	72.3	-79.1	0	0	0	111.2	M318 C326 K327	Y316-M318 HydrophobicContact CD2-CB 4.43Å; Y316-M318 HydrophobicContact CE2-CB 3.94Å; Y316-M318 HydrophobicContact CE2-CG 4.3Å; Y316-M318 HydrophobicContact CE2-SD 4.29Å; Y316-C326 WeakPolarHBondContact O-CA 3.46Å; Y316-K327 VanDerWaalsContact CD1-O 3.25Å; Y316-K327 WeakPolarHBondContact CD1-O 3.42Å; Y316-K327 HydrophobicContact CE1-CB 4.01Å; Y316-K327 HydrophobicContact CE1-CD 4.47Å; Y316-K327 HydrophobicContact CE1-CG 4.21Å; Y316-K327 PolarHBondContact N-O 3.39Å; Y316-K327 PolarHBondContact O-N 3.18Å
317	E	78.3	Confident	77.1	Confident	84 Å²	84	72.5 Å²	72.5	39%	0.393	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	130.1	175.6	-175	172.9	173.2	0	0	110.1	V300 R324	V300-E317 HydrophobicContact CG1-CG 3.96Å; V300-E317 HydrophobicContact CG2-CG 4.22Å; E317-R324 HydrophobicContact CG-CB 4.36Å; E317-R324 VanDerWaalsContact OE1-CD 3.26Å; E317-R324 WeakPolarHBondContact OE1-CD 3.3Å; E317-R324 IonicContact OE1-CZ 2.69Å; E317-R324 IonicContact OE1-NE 2.69Å; E317-R324 PolarHBondContact OE1-NE 3.46Å; E317-R324 IonicContact OE1-NH1 3.58Å; E317-R324 PolarHBondContact OE1-NH1 3.33Å; E317-R324 IonicContact OE1-NH2 2.73Å; E317-R324 IonicContact OE2-NH1 3.49Å
318	M	83.3	Confident	77.1	Confident	43 Å²	43	78.2 Å²	78.2	21%	0.212	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	147	170.3	56.3	175.5	-84.8	0	0	110.5	Y316 E320 R324 K325 K327	Y316-M318 HydrophobicContact CD2-CB 4.43Å; Y316-M318 HydrophobicContact CE2-CB 3.94Å; Y316-M318 HydrophobicContact CE2-CG 4.3Å; Y316-M318 HydrophobicContact CE2-SD 4.29Å; M318-E320 HydrophobicContact CE-CB 4Å; M318-E320 HydrophobicContact CE-CG 4.31Å; M318-E320 WeakPolarHBondContact CE-OE1 3.45Å; M318-R324 CarbonylContact O-C 3.53Å; M318-R324 WeakPolarHBondContact O-CA 3.29Å; M318-K325 PolarHBondContact N-O 3.37Å; M318-K325 PolarHBondContact O-N 2.82Å; M318-K327 HydrophobicContact CG-CB 4.15Å; M318-K327 HydrophobicContact SD-CB 3.72Å; M318-K327 HydrophobicContact SD-CD 3.48Å; M318-K327 WeakPolarHBondContact SD-CD 3.47Å; M318-K327 HydrophobicContact SD-CG 4.23Å
319	E	78.9	Confident	77.3	Confident	136 Å²	136	77.4 Å²	77.4	64%	0.636	42%	0.423	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.6	125.8	175.3	-166.5	167.6	161.5	0	0	110.1	R324	E319-R324 HydrophobicContact CB-CG 4.26Å; E319-R324 HydrophobicContact CG-CG 4.02Å
320	E	77	Confident	77.8	Confident	86 Å²	86	79.3 Å²	79.3	40%	0.402	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	124.4	-176.1	-170.3	176.6	-111.4	0	0	107.6	M318 G322 V323 K325	M318-E320 HydrophobicContact CE-CB 4Å; M318-E320 HydrophobicContact CE-CG 4.31Å; M318-E320 WeakPolarHBondContact CE-OE1 3.45Å; E320-G322 PolarHBondContact O-N 3.47Å; E320-V323 PolarHBondContact N-O 3.05Å; E320-V323 PolarHBondContact O-N 3.14Å; E320-K325 HydrophobicContact CB-CD 4.14Å; E320-K325 WeakPolarHBondContact OE2-CD 3.36Å; E320-K325 WeakPolarHBondContact OE2-CE 3.43Å; E320-K325 IonicContact OE2-NZ 3.45Å; E320-K325 PolarHBondContact OE2-NZ 2.77Å
321	D	72.1	Confident	78.1	Confident	146 Å²	146	78.6 Å²	78.6	78%	0.781	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.7	29	-174	-46.2	-52.1	0	0	0	115	V323 K325	D321-V323 PolarHBondContact O-N 3.45Å; D321-K325 IonicContact OD2-NZ 2.93Å
322	G	72.3	Confident	77.9	Confident	61 Å²	61	80.5 Å²	80.5	63%	0.629	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.7	12.4	-174.9	0	0	0	0	0	114	E320	E320-G322 PolarHBondContact O-N 3.47Å
323	V	77.4	Confident	78.1	Confident	51 Å²	51	79.6 Å²	79.6	31%	0.309	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	125.3	171.1	-178.8	0	0	0	0	108.4	V301 E320 D321 K325	V301-V323 HydrophobicContact CB-CG1 4.25Å; V301-V323 HydrophobicContact CG2-CG1 3.69Å; E320-V323 PolarHBondContact N-O 3.05Å; E320-V323 PolarHBondContact O-N 3.14Å; D321-V323 PolarHBondContact O-N 3.45Å; V323-K325 HydrophobicContact CG1-CG 4.12Å; V323-K325 PolarHBondContact O-N 2.75Å
324	R	76.5	Confident	78.5	Confident	75 Å²	75	84.1 Å²	84.1	28%	0.283	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	118.7	173.9	-54.6	-176.7	-50.6	134.5	21.8	108.3	N298 Y299 V300 V301 E317 M318 E319	N298-R324 PolarHBondContact O-NH2 3.34Å; Y299-R324 PolarHBondContact O-NH2 3.07Å; V300-R324 CarbonylContact C-O 3.59Å; V300-R324 WeakPolarHBondContact CA-O 3.18Å; V300-R324 HydrophobicContact CG1-CB 4.2Å; V300-R324 VanDerWaalsContact CG1-O 3.28Å; V300-R324 WeakPolarHBondContact CG1-O 3.43Å; V301-R324 PolarHBondContact N-O 2.98Å; E317-R324 HydrophobicContact CG-CB 4.36Å; E317-R324 VanDerWaalsContact OE1-CD 3.26Å; E317-R324 WeakPolarHBondContact OE1-CD 3.3Å; E317-R324 IonicContact OE1-CZ 2.69Å; E317-R324 IonicContact OE1-NE 2.69Å; E317-R324 PolarHBondContact OE1-NE 3.46Å; E317-R324 IonicContact OE1-NH1 3.58Å; E317-R324 PolarHBondContact OE1-NH1 3.33Å; E317-R324 IonicContact OE1-NH2 2.73Å; E317-R324 IonicContact OE2-NH1 3.49Å; M318-R324 CarbonylContact O-C 3.53Å; M318-R324 WeakPolarHBondContact O-CA 3.29Å; E319-R324 HydrophobicContact CB-CG 4.26Å; E319-R324 HydrophobicContact CG-CG 4.02Å
325	K	85.3	Confident	78.6	Confident	57 Å²	57	81.8 Å²	81.8	25%	0.248	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	150.5	-175.4	-57.3	176.4	-162.7	172.2	0	110.1	V301 M318 E320 D321 V323	V301-K325 CarbonylContact O-C 3.55Å; V301-K325 VanDerWaalsContact O-CA 3.3Å; V301-K325 WeakPolarHBondContact O-CA 3.41Å; M318-K325 PolarHBondContact N-O 3.37Å; M318-K325 PolarHBondContact O-N 2.82Å; E320-K325 HydrophobicContact CB-CD 4.14Å; E320-K325 WeakPolarHBondContact OE2-CD 3.36Å; E320-K325 WeakPolarHBondContact OE2-CE 3.43Å; E320-K325 IonicContact OE2-NZ 3.45Å; E320-K325 PolarHBondContact OE2-NZ 2.77Å; D321-K325 IonicContact OD2-NZ 2.93Å; V323-K325 HydrophobicContact CG1-CG 4.12Å; V323-K325 PolarHBondContact O-N 2.75Å
326	C	82.5	Confident	78.8	Confident	7 Å²	7	84.5 Å²	84.5	5%	0.047	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	109.7	172.7	-71.2	0	0	0	0	110.1	V300 V301 C311 Y316	V300-C326 WeakPolarHBondContact CG1-SG 3.17Å; V301-C326 PolarHBondContact O-N 3.36Å; C311-C326 WeakPolarHBondContact CA-SG 3.31Å; C311-C326 HydrophobicContact CB-CB 3.75Å; C311-C326 WeakPolarHBondContact CB-SG 3.44Å; C311-C326 WeakPolarHBondContact SG-CA 3.43Å; C311-C326 WeakPolarHBondContact SG-CB 3.03Å; C311-C326 CovalentContact SG-SG 2.04Å; C311-C326 PolarHBondContact SG-SG 2.01Å; Y316-C326 WeakPolarHBondContact O-CA 3.46Å
327	K	84.1	Confident	79.3	Confident	94 Å²	94	80.5 Å²	80.5	41%	0.409	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	140.2	176.1	-173.8	172.7	174.6	-175.2	0	110.4	S315 Y316 M318	S315-K327 CarbonylContact C-O 3.58Å; S315-K327 VanDerWaalsContact CA-O 3.22Å; S315-K327 WeakPolarHBondContact CA-O 3.21Å; S315-K327 VanDerWaalsContact CB-O 3.32Å; S315-K327 WeakPolarHBondContact CB-O 3.27Å; Y316-K327 VanDerWaalsContact CD1-O 3.25Å; Y316-K327 WeakPolarHBondContact CD1-O 3.42Å; Y316-K327 HydrophobicContact CE1-CB 4.01Å; Y316-K327 HydrophobicContact CE1-CD 4.47Å; Y316-K327 HydrophobicContact CE1-CG 4.21Å; Y316-K327 PolarHBondContact N-O 3.39Å; Y316-K327 PolarHBondContact O-N 3.18Å; M318-K327 HydrophobicContact CG-CB 4.15Å; M318-K327 HydrophobicContact SD-CB 3.72Å; M318-K327 HydrophobicContact SD-CD 3.48Å; M318-K327 WeakPolarHBondContact SD-CD 3.47Å; M318-K327 HydrophobicContact SD-CG 4.23Å
328	K	83.8	Confident	79.8	Confident	130 Å²	130	79 Å²	79	57%	0.565	41%	0.412	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.2	144	176.3	-66.3	-179.2	-175	176.7	0	111.5
329	C	80.7	Confident	80	Confident	25 Å²	25	76.9 Å²	76.9	17%	0.169	40%	0.402	C	S	.	.			trans	-76.6	143.3	178.7	-60.4	0	0	0	0	111.9	D314 G331 C333	D314-C329 PolarHBondContact O-N 2.77Å; C329-G331 VanDerWaalsContact C-N 3.33Å; C329-G331 WeakPolarHBondContact CB-O 3.41Å; C329-G331 PolarHBondContact O-N 2.98Å; C329-C333 HydrophobicContact CB-CB 3.95Å; C329-C333 WeakPolarHBondContact CB-SG 3.25Å; C329-C333 WeakPolarHBondContact SG-CA 3.22Å; C329-C333 WeakPolarHBondContact SG-CB 3.36Å; C329-C333 CovalentContact SG-SG 2.03Å; C329-C333 PolarHBondContact SG-SG 2.8Å
330	E	77.8	Confident	80.5	Confident	174 Å²	174	70.5 Å²	70.5	81%	0.813	37%	0.372	S	S	*	.	S	Bend	trans	-80.9	82	173.7	-70.2	177.9	-167.7	0	0	109.8
331	G	73.9	Confident	80.4	Confident	52 Å²	52	68.2 Å²	68.2	54%	0.536	37%	0.372	S	S	.	.	S	Bend	trans	89.7	-155.8	-168	0	0	0	0	0	111.9	C329 C333	C329-G331 VanDerWaalsContact C-N 3.33Å; C329-G331 WeakPolarHBondContact CB-O 3.41Å; C329-G331 PolarHBondContact O-N 2.98Å; G331-C333 PolarHBondContact O-N 3.47Å
332	P	72.1	Confident	80.4	Confident	69 Å²	69	64.4 Å²	64.4	45%	0.448	35%	0.351	S	S	.	.	S	Bend	trans	-57.7	131.2	178.7	-22.9	33.5	0	0	0	111.7	T363 T397	P332-T363 HydrophobicContact CB-CG2 3.96Å; P332-T397 HydrophobicContact CB-CG2 4.48Å; P332-T397 HydrophobicContact CG-CG2 4.11Å
333	C	75	Confident	80.8	Confident	31 Å²	31	64.1 Å²	64.1	21%	0.209	35%	0.348	C	S	.	.			trans	-61.3	149.6	178.3	-72.4	0	0	0	0	112.9	A313 D314 S315 C329 G331 K335 T363	A313-C333 PolarHBondContact O-SG 2.93Å; D314-C333 WeakPolarHBondContact CA-SG 3.38Å; S315-C333 PolarHBondContact N-SG 3.49Å; C329-C333 HydrophobicContact CB-CB 3.95Å; C329-C333 WeakPolarHBondContact CB-SG 3.25Å; C329-C333 WeakPolarHBondContact SG-CA 3.22Å; C329-C333 WeakPolarHBondContact SG-CB 3.36Å; C329-C333 CovalentContact SG-SG 2.03Å; C329-C333 PolarHBondContact SG-SG 2.8Å; G331-C333 PolarHBondContact O-N 3.47Å; C333-K335 PolarHBondContact O-N 2.78Å; C333-T363 VanDerWaalsContact O-CG2 3.27Å; C333-T363 WeakPolarHBondContact O-CG2 3.38Å
334	R	79.3	Confident	81	Confident	186 Å²	186	67 Å²	67	70%	0.702	36%	0.358	S	S	*	.			trans	-65.2	95.7	-173.3	-168.4	-175.9	-169.7	-177.2	7.3	112.2	T363 E400	R334-T363 WeakPolarHBondContact CA-OG1 3.45Å; R334-E400 IonicContact NH2-OE2 3.82Å; R334-E400 PolarHBondContact NH2-OE2 3.23Å; R334-E400 VanDerWaalsContact NH2-OE2 3.13Å
335	K	81.6	Confident	81.6	Confident	81 Å²	81	63.9 Å²	63.9	35%	0.352	35%	0.347	S	S	.	.			trans	-101.4	115.7	169.7	-171	-164.2	177	-152	0	109	C333 C337 H358 K360 N361 C362 T363 S364	C333-K335 PolarHBondContact O-N 2.78Å; K335-C337 VanDerWaalsContact CD-SG 3.57Å; K335-C337 WeakPolarHBondContact CE-SG 3.34Å; K335-H358 PolarHBondContact NZ-O 3.41Å; K335-K360 PolarHBondContact NZ-O 3.41Å; K335-N361 VanDerWaalsContact CB-O 3.27Å; K335-N361 WeakPolarHBondContact CB-O 3.29Å; K335-N361 WeakPolarHBondContact CD-O 3.45Å; K335-C362 PolarHBondContact NZ-SG 3.2Å; K335-T363 PolarHBondContact N-OG1 2.92Å; K335-T363 PolarHBondContact O-N 2.69Å; K335-T363 PolarHBondContact O-OG1 2.87Å; K335-S364 PolarHBondContact O-N 2.77Å
336	V	83.8	Confident	81.2	Confident	86 Å²	86	68 Å²	68	52%	0.521	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	134	169.8	-175.7	0	0	0	0	108.6	S364	V336-S364 CarbonylContact C-O 3.59Å; V336-S364 WeakPolarHBondContact CA-O 3.36Å
337	C	89.4	Confident	81.2	Confident	16 Å²	16	74.7 Å²	74.7	11%	0.108	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	152.9	-179.1	-58.5	0	0	0	0	110.7	K335 C362 S364 I365 S366	K335-C337 VanDerWaalsContact CD-SG 3.57Å; K335-C337 WeakPolarHBondContact CE-SG 3.34Å; C337-C362 HydrophobicContact CB-CB 3.77Å; C337-C362 WeakPolarHBondContact CB-SG 3.39Å; C337-C362 WeakPolarHBondContact SG-CB 3.47Å; C337-C362 CovalentContact SG-SG 2.02Å; C337-C362 PolarHBondContact SG-SG 2.88Å; C337-S364 PolarHBondContact N-O 3.21Å; C337-I365 HydrophobicContact CB-CD1 4.18Å; C337-S366 PolarHBondContact O-N 3.49Å
338	N	88.8	Confident	81.4	Confident	52 Å²	52	72.1 Å²	72.1	28%	0.278	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	142.4	178	-63.4	-54.9	0	0	0	111.3	E344 F345 F359	N338-E344 PolarHBondContact ND2-OE1 2.75Å; N338-F345 HydrophobicContact CB-CD2 4.06Å; N338-F345 HydrophobicContact CB-CE2 4.21Å; N338-F345 WeakPolarHBondContact O-CE2 3.3Å; N338-F359 WeakPolarHBondContact O-CE1 3.29Å
339	G	87.8	Confident	81.5	Confident	0 Å²	0	72.2 Å²	72.2	0%	0	40%	0.398	C	S	.	.	P	Polyproline II helix	trans	-82.4	169.7	166.9	0	0	0	0	0	112.7	I342 S366 D368	G339-I342 PolarHBondContact O-N 2.98Å; G339-S366 PolarHBondContact N-O 2.69Å; G339-D368 CarbonylContact C-O 3.6Å; G339-D368 VanDerWaalsContact CA-O 3.29Å; G339-D368 WeakPolarHBondContact CA-O 3.38Å
340	I	90	Very high	82.1	Confident	1 Å²	1	71.2 Å²	71.2	1%	0.005	39%	0.392	C	S	.	.	B	Isolated β-bridge	trans	-58	140.6	170.9	-56.2	-58.7	0	0	0	109.1	I342 F345 T348 I351 F359 D368 H370	I340-I342 VanDerWaalsContact C-N 3.29Å; I340-I342 PolarHBondContact O-N 2.73Å; I340-F345 HydrophobicContact CD1-CB 4.29Å; I340-F345 HydrophobicContact CD1-CG 4.4Å; I340-T348 WeakPolarHBondContact CG2-O 3.47Å; I340-I351 HydrophobicContact CD1-CG1 4.04Å; I340-I351 HydrophobicContact CG1-CG1 4.08Å; I340-F359 HydrophobicContact CD1-CZ 4.2Å; I340-D368 PolarHBondContact N-O 3.34Å; I340-H370 HydrophobicContact CG2-CB 4.34Å; I340-H370 WeakPolarHBondContact CG2-ND1 3.39Å
341	G	74.3	Confident	82.9	Confident	39 Å²	39	63 Å²	63	40%	0.402	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.9	-2	-175.3	0	0	0	0	0	115.3	F345	G341-F345 PolarHBondContact N-O 3.41Å
342	I	72.9	Confident	83.9	Confident	66 Å²	66	61.5 Å²	61.5	34%	0.338	33%	0.333	S	S	.	.	S	Bend	trans	-125	141.6	-179.5	-59.5	-172.6	0	0	0	111.3	G339 I340 E344 F345	G339-I342 PolarHBondContact O-N 2.98Å; I340-I342 VanDerWaalsContact C-N 3.29Å; I340-I342 PolarHBondContact O-N 2.73Å; I342-E344 PolarHBondContact O-N 2.89Å; I342-F345 PolarHBondContact O-N 3.47Å
343	G	79.9	Confident	84.9	Confident	55 Å²	55	58.7 Å²	58.7	57%	0.567	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	58.5	-122.8	173.2	0	0	0	0	0	112.8	F345 K346	G343-F345 PolarHBondContact O-N 3.48Å; G343-K346 WeakPolarHBondContact O-CB 3.48Å; G343-K346 PolarHBondContact O-N 2.71Å
344	E	81.4	Confident	85.8	Confident	112 Å²	112	61.1 Å²	61.1	52%	0.523	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-62.7	-20.4	178	70.6	-153.9	117.5	0	0	114	N338 I342 H358	N338-E344 PolarHBondContact ND2-OE1 2.75Å; I342-E344 PolarHBondContact O-N 2.89Å; E344-H358 IonicContact OE2-CD2 2.67Å
345	F	88.6	Confident	86.5	Confident	9 Å²	9	52.7 Å²	52.7	4%	0.039	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-104.8	14.4	179.3	-50.4	-52.9	0	0	0	113.6	N338 I340 G341 I342 G343 D347 T348 N355 H358 F359	N338-F345 HydrophobicContact CB-CD2 4.06Å; N338-F345 HydrophobicContact CB-CE2 4.21Å; N338-F345 WeakPolarHBondContact O-CE2 3.3Å; I340-F345 HydrophobicContact CD1-CB 4.29Å; I340-F345 HydrophobicContact CD1-CG 4.4Å; G341-F345 PolarHBondContact N-O 3.41Å; I342-F345 PolarHBondContact O-N 3.47Å; G343-F345 PolarHBondContact O-N 3.48Å; F345-D347 PolarHBondContact O-N 2.88Å; F345-T348 WeakPolarHBondContact O-CB 3.46Å; F345-T348 PolarHBondContact O-N 3.11Å; F345-N355 HydrophobicContact CD1-CB 4.09Å; F345-N355 HydrophobicContact CE1-CB 3.74Å; F345-H358 HydrophobicContact CE1-CB 4.45Å; F345-H358 HydrophobicContact CZ-CB 3.78Å; F345-F359 HydrophobicContact CD2-CE2 4.47Å; F345-F359 AromaticContact CD2-CZ 3.94Å; F345-F359 HydrophobicContact CD2-CZ 3.94Å; F345-F359 HydrophobicContact CE1-CE2 4.45Å; F345-F359 HydrophobicContact CE2-CE1 4.29Å; F345-F359 AromaticContact CE2-CE2 3.87Å; F345-F359 HydrophobicContact CE2-CE2 3.87Å; F345-F359 AromaticContact CE2-CZ 3.55Å; F345-F359 HydrophobicContact CE2-CZ 3.55Å; F345-F359 AromaticContact CZ-CE2 3.87Å; F345-F359 HydrophobicContact CZ-CE2 3.87Å; F345-F359 HydrophobicContact CZ-CZ 4.06Å
346	K	78.2	Confident	87.1	Confident	143 Å²	143	48.8 Å²	48.8	62%	0.622	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.4	-50.2	-174.9	-175.1	-171.6	173.1	-164.5	0	113.5	G343 T348	G343-K346 WeakPolarHBondContact O-CB 3.48Å; G343-K346 PolarHBondContact O-N 2.71Å; K346-T348 VanDerWaalsContact C-N 3.3Å; K346-T348 PolarHBondContact O-N 2.8Å
347	D	82.5	Confident	87.6	Confident	147 Å²	147	50 Å²	50	79%	0.786	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.2	14.1	-176.3	-50.9	-54	0	0	0	112.2	F345	F345-D347 PolarHBondContact O-N 2.88Å
348	T	87.3	Confident	87.8	Confident	41 Å²	41	53.9 Å²	53.9	25%	0.252	30%	0.296	S	S	.	.			trans	-99	131.8	-178.4	-55.2	0	0	0	0	111.5	I340 F345 K346 S350 N355	I340-T348 WeakPolarHBondContact CG2-O 3.47Å; F345-T348 WeakPolarHBondContact O-CB 3.46Å; F345-T348 PolarHBondContact O-N 3.11Å; K346-T348 VanDerWaalsContact C-N 3.3Å; K346-T348 PolarHBondContact O-N 2.8Å; T348-S350 WeakPolarHBondContact CG2-O 3.32Å; T348-N355 VanDerWaalsContact CG2-ND2 3.33Å; T348-N355 WeakPolarHBondContact CG2-ND2 3.34Å
349	L	86.1	Confident	88	Confident	132 Å²	132	51.4 Å²	51.4	69%	0.691	28%	0.283	S	S	*	.			trans	-82	-32.1	-174.5	-62.1	174	0	0	0	114.4	H370 L372	L349-H370 WeakPolarHBondContact O-CB 3.39Å; L349-H370 PolarHBondContact O-ND1 3.2Å; L349-H370 VanDerWaalsContact O-ND1 3.14Å; L349-L372 WeakPolarHBondContact O-CD1 3.28Å
350	S	94.1	Very high	88.1	Confident	4 Å²	4	57.9 Å²	57.9	3%	0.028	31%	0.311	C	S	.	.	S	Bend	trans	-151.9	156	-170	-175.3	0	0	0	0	111.4	T348 N352 N355 H370 L372	T348-S350 WeakPolarHBondContact CG2-O 3.32Å; S350-N352 PolarHBondContact O-N 2.81Å; S350-N355 PolarHBondContact O-ND2 3.31Å; S350-H370 PolarHBondContact OG-O 3.36Å; S350-L372 PolarHBondContact OG-N 2.9Å; S350-L372 VanDerWaalsContact OG-N 3.12Å
351	I	95.1	Very high	88	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	34%	0.336	C	S	.	.			trans	-56.9	134.9	157.8	-54.6	174.3	0	0	0	107.9	I340 N355 I356 L369 H370 I371 A375 L395	I340-I351 HydrophobicContact CD1-CG1 4.04Å; I340-I351 HydrophobicContact CG1-CG1 4.08Å; I351-N355 WeakPolarHBondContact CA-OD1 3.3Å; I351-I356 HydrophobicContact CG2-CB 4.19Å; I351-I356 HydrophobicContact CG2-CD1 3.58Å; I351-I356 HydrophobicContact CG2-CG1 4.41Å; I351-L369 HydrophobicContact CD1-CB 4.28Å; I351-L369 HydrophobicContact CD1-CD1 4.5Å; I351-L369 HydrophobicContact CD1-CD2 3.93Å; I351-L369 HydrophobicContact CD1-CG 4.47Å; I351-H370 WeakPolarHBondContact CG1-O 3.46Å; I351-H370 PolarHBondContact N-O 3.47Å; I351-I371 HydrophobicContact CB-CG1 4.5Å; I351-I371 HydrophobicContact CD1-CD1 4.15Å; I351-I371 HydrophobicContact CD1-CG1 3.87Å; I351-I371 HydrophobicContact CG1-CG1 4.46Å; I351-A375 WeakPolarHBondContact O-CB 3.19Å; I351-L395 HydrophobicContact CD1-CD1 3.93Å
352	N	94.2	Very high	88.8	Confident	22 Å²	22	60.7 Å²	60.7	12%	0.118	32%	0.316	C	S	.	.			trans	-153.7	173.6	-173.6	69	29.5	0	0	0	111.8	S350 T354 N355 I356 T384	S350-N352 PolarHBondContact O-N 2.81Å; N352-T354 PolarHBondContact O-N 2.76Å; N352-T354 VanDerWaalsContact O-N 3.13Å; N352-T354 WeakPolarHBondContact OD1-CB 3.48Å; N352-T354 PolarHBondContact OD1-N 2.6Å; N352-N355 PolarHBondContact N-OD1 2.75Å; N352-N355 PolarHBondContact O-N 3.48Å; N352-N355 PolarHBondContact O-OD1 2.67Å; N352-N355 VanDerWaalsContact O-OD1 3.14Å; N352-N355 VanDerWaalsContact OD1-CG 3.29Å; N352-N355 PolarHBondContact OD1-N 3.24Å; N352-N355 PolarHBondContact OD1-OD1 3.38Å; N352-I356 VanDerWaalsContact O-CB 3.31Å; N352-I356 WeakPolarHBondContact O-CB 3.32Å; N352-I356 WeakPolarHBondContact O-CG2 3.16Å; N352-I356 PolarHBondContact O-N 3.32Å; N352-T384 HydrophobicContact CB-CG2 3.72Å
353	A	93.8	Very high	89.7	Confident	10 Å²	10	57.9 Å²	57.9	8%	0.083	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-27.1	-176.5	0	0	0	0	0	114.8	K357 P385	A353-K357 PolarHBondContact O-NZ 2.9Å; A353-K357 VanDerWaalsContact O-NZ 3.08Å; A353-P385 HydrophobicContact CB-CG 3.92Å; A353-P385 WeakPolarHBondContact CB-O 3.23Å
354	T	92.9	Very high	90.2	Very high	82 Å²	82	55.5 Å²	55.5	50%	0.503	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-44.3	-179.8	-48.6	0	0	0	0	111.3	N352	N352-T354 PolarHBondContact O-N 2.76Å; N352-T354 VanDerWaalsContact O-N 3.13Å; N352-T354 WeakPolarHBondContact OD1-CB 3.48Å; N352-T354 PolarHBondContact OD1-N 2.6Å
355	N	93.6	Very high	90.7	Very high	8 Å²	8	50.1 Å²	50.1	4%	0.043	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-27.8	-174	69.7	23.1	0	0	0	114.6	F345 T348 S350 I351 N352 K357 H358	F345-N355 HydrophobicContact CD1-CB 4.09Å; F345-N355 HydrophobicContact CE1-CB 3.74Å; T348-N355 VanDerWaalsContact CG2-ND2 3.33Å; T348-N355 WeakPolarHBondContact CG2-ND2 3.34Å; S350-N355 PolarHBondContact O-ND2 3.31Å; I351-N355 WeakPolarHBondContact CA-OD1 3.3Å; N352-N355 PolarHBondContact N-OD1 2.75Å; N352-N355 PolarHBondContact O-N 3.48Å; N352-N355 PolarHBondContact O-OD1 2.67Å; N352-N355 VanDerWaalsContact O-OD1 3.14Å; N352-N355 VanDerWaalsContact OD1-CG 3.29Å; N352-N355 PolarHBondContact OD1-N 3.24Å; N352-N355 PolarHBondContact OD1-OD1 3.38Å; N355-K357 PolarHBondContact O-N 3.2Å; N355-H358 WeakPolarHBondContact O-CB 3.4Å; N355-H358 PolarHBondContact O-N 2.74Å; N355-H358 PolarHBondContact O-ND1 3.21Å
356	I	95.6	Very high	90.6	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-51.1	-34.4	-172.5	-175.5	65.6	0	0	0	113.4	I351 N352 H358 F359 L387 E391 I394 L395	I351-I356 HydrophobicContact CG2-CB 4.19Å; I351-I356 HydrophobicContact CG2-CD1 3.58Å; I351-I356 HydrophobicContact CG2-CG1 4.41Å; N352-I356 VanDerWaalsContact O-CB 3.31Å; N352-I356 WeakPolarHBondContact O-CB 3.32Å; N352-I356 WeakPolarHBondContact O-CG2 3.16Å; N352-I356 PolarHBondContact O-N 3.32Å; I356-H358 VanDerWaalsContact C-N 3.25Å; I356-H358 PolarHBondContact O-N 2.7Å; I356-F359 WeakPolarHBondContact O-CB 3.41Å; I356-F359 PolarHBondContact O-N 3.17Å; I356-L387 HydrophobicContact CB-CD1 4.24Å; I356-L387 HydrophobicContact CG1-CD1 4.44Å; I356-L387 HydrophobicContact CG2-CD1 3.92Å; I356-E391 HydrophobicContact CG1-CB 4.17Å; I356-E391 WeakPolarHBondContact CG1-O 3.23Å; I356-E391 HydrophobicContact CG2-CB 4.14Å; I356-E391 WeakPolarHBondContact CG2-OE2 3.48Å; I356-I394 HydrophobicContact CD1-CB 4.44Å; I356-I394 HydrophobicContact CG1-CB 4.44Å; I356-I394 HydrophobicContact CG1-CD1 4Å; I356-L395 HydrophobicContact CD1-CD1 4.39Å; I356-L395 HydrophobicContact CD1-CD2 4.03Å; I356-L395 HydrophobicContact CD1-CG 4.06Å
357	K	92.8	Very high	91	Very high	111 Å²	111	45.2 Å²	45.2	48%	0.483	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-63.5	-24.7	-178.8	-69.9	163.2	178.8	89.5	0	113.9	A353 N355 F359 K360 E391	A353-K357 PolarHBondContact O-NZ 2.9Å; A353-K357 VanDerWaalsContact O-NZ 3.08Å; N355-K357 PolarHBondContact O-N 3.2Å; K357-F359 VanDerWaalsContact C-N 3.33Å; K357-K360 WeakPolarHBondContact O-CB 3.48Å; K357-K360 PolarHBondContact O-N 3.46Å; K357-E391 WeakPolarHBondContact CE-OE1 3.29Å; K357-E391 VanDerWaalsContact NZ-CD 3.28Å; K357-E391 IonicContact NZ-OE1 3.58Å; K357-E391 PolarHBondContact NZ-OE1 3.16Å; K357-E391 IonicContact NZ-OE2 2.65Å; K357-E391 PolarHBondContact NZ-OE2 3.07Å
358	H	93.1	Very high	91.4	Very high	97 Å²	97	39 Å²	39	45%	0.449	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	-71.7	-28.9	175	-58.8	80.9	0	0	0	112.2	K335 E344 F345 N355 I356 K360	K335-H358 PolarHBondContact NZ-O 3.41Å; E344-H358 IonicContact OE2-CD2 2.67Å; F345-H358 HydrophobicContact CE1-CB 4.45Å; F345-H358 HydrophobicContact CZ-CB 3.78Å; N355-H358 WeakPolarHBondContact O-CB 3.4Å; N355-H358 PolarHBondContact O-N 2.74Å; N355-H358 PolarHBondContact O-ND1 3.21Å; I356-H358 VanDerWaalsContact C-N 3.25Å; I356-H358 PolarHBondContact O-N 2.7Å; H358-K360 PolarHBondContact O-N 3.35Å; H358-K360 VanDerWaalsContact O-N 3.15Å
359	F	94.1	Very high	91.8	Very high	1 Å²	1	37 Å²	37	0%	0.004	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-72	-1.1	177.4	-64.9	-87.6	0	0	0	113.5	N338 I340 F345 I356 K357 N361 C362 I365 L369 I394 L395	N338-F359 WeakPolarHBondContact O-CE1 3.29Å; I340-F359 HydrophobicContact CD1-CZ 4.2Å; F345-F359 HydrophobicContact CD2-CE2 4.47Å; F345-F359 AromaticContact CD2-CZ 3.94Å; F345-F359 HydrophobicContact CD2-CZ 3.94Å; F345-F359 HydrophobicContact CE1-CE2 4.45Å; F345-F359 HydrophobicContact CE2-CE1 4.29Å; F345-F359 AromaticContact CE2-CE2 3.87Å; F345-F359 HydrophobicContact CE2-CE2 3.87Å; F345-F359 AromaticContact CE2-CZ 3.55Å; F345-F359 HydrophobicContact CE2-CZ 3.55Å; F345-F359 AromaticContact CZ-CE2 3.87Å; F345-F359 HydrophobicContact CZ-CE2 3.87Å; F345-F359 HydrophobicContact CZ-CZ 4.06Å; I356-F359 WeakPolarHBondContact O-CB 3.41Å; I356-F359 PolarHBondContact O-N 3.17Å; K357-F359 VanDerWaalsContact C-N 3.33Å; F359-N361 PolarHBondContact O-N 2.87Å; F359-C362 WeakPolarHBondContact CA-SG 3.3Å; F359-C362 VanDerWaalsContact O-CB 3.25Å; F359-C362 WeakPolarHBondContact O-CB 3.47Å; F359-C362 PolarHBondContact O-N 2.91Å; F359-C362 VanDerWaalsContact O-N 3.08Å; F359-C362 PolarHBondContact O-SG 3.2Å; F359-I365 HydrophobicContact CD1-CD1 3.81Å; F359-I365 HydrophobicContact CE1-CD1 4.07Å; F359-L369 HydrophobicContact CD1-CD2 4.46Å; F359-L369 HydrophobicContact CE1-CD2 3.82Å; F359-L369 HydrophobicContact CZ-CD2 4.35Å; F359-I394 HydrophobicContact CB-CG2 4.27Å; F359-L395 HydrophobicContact CB-CD2 3.84Å; F359-L395 HydrophobicContact CD1-CD2 4.4Å; F359-L395 HydrophobicContact CG-CD2 4.16Å
360	K	90.4	Very high	92.1	Very high	135 Å²	135	32.2 Å²	32.2	59%	0.587	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.2	127.4	178	-170.8	165.3	-175.8	173.2	0	112.1	K335 K357 H358 C362 I394	K335-K360 PolarHBondContact NZ-O 3.41Å; K357-K360 WeakPolarHBondContact O-CB 3.48Å; K357-K360 PolarHBondContact O-N 3.46Å; H358-K360 PolarHBondContact O-N 3.35Å; H358-K360 VanDerWaalsContact O-N 3.15Å; K360-C362 PolarHBondContact O-N 3.47Å; K360-I394 HydrophobicContact CB-CG2 4.33Å
361	N	87.9	Confident	92.2	Very high	99 Å²	99	32.1 Å²	32.1	53%	0.529	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.2	18.7	-175.1	-55.4	9.1	0	0	0	114.5	K335 F359	K335-N361 VanDerWaalsContact CB-O 3.27Å; K335-N361 WeakPolarHBondContact CB-O 3.29Å; K335-N361 WeakPolarHBondContact CD-O 3.45Å; F359-N361 PolarHBondContact O-N 2.87Å
362	C	91.1	Very high	92.1	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.172	C	C	.	.			trans	-77	125.7	176.8	-65.3	0	0	0	0	111.2	K335 C337 F359 K360 I365 T397 V398	K335-C362 PolarHBondContact NZ-SG 3.2Å; C337-C362 HydrophobicContact CB-CB 3.77Å; C337-C362 WeakPolarHBondContact CB-SG 3.39Å; C337-C362 WeakPolarHBondContact SG-CB 3.47Å; C337-C362 CovalentContact SG-SG 2.02Å; C337-C362 PolarHBondContact SG-SG 2.88Å; F359-C362 WeakPolarHBondContact CA-SG 3.3Å; F359-C362 VanDerWaalsContact O-CB 3.25Å; F359-C362 WeakPolarHBondContact O-CB 3.47Å; F359-C362 PolarHBondContact O-N 2.91Å; F359-C362 VanDerWaalsContact O-N 3.08Å; F359-C362 PolarHBondContact O-SG 3.2Å; K360-C362 PolarHBondContact O-N 3.47Å; C362-I365 HydrophobicContact CB-CD1 3.95Å; C362-T397 PolarHBondContact N-OG1 3.43Å; C362-T397 CarbonylContact O-C 3.5Å; C362-T397 PolarHBondContact O-OG1 3.46Å; C362-T397 VanDerWaalsContact O-OG1 3.06Å; C362-V398 WeakPolarHBondContact O-CA 3.46Å; C362-V398 WeakPolarHBondContact O-CG2 3.27Å; C362-V398 PolarHBondContact O-N 3.27Å
363	T	90.8	Very high	92	Very high	8 Å²	8	35 Å²	35	5%	0.049	18%	0.183	C	C	.	.			trans	-104.1	-23.9	179.9	68.7	0	0	0	0	113.2	P332 C333 R334 K335 T397 K399 E400	P332-T363 HydrophobicContact CB-CG2 3.96Å; C333-T363 VanDerWaalsContact O-CG2 3.27Å; C333-T363 WeakPolarHBondContact O-CG2 3.38Å; R334-T363 WeakPolarHBondContact CA-OG1 3.45Å; K335-T363 PolarHBondContact N-OG1 2.92Å; K335-T363 PolarHBondContact O-N 2.69Å; K335-T363 PolarHBondContact O-OG1 2.87Å; T363-T397 WeakPolarHBondContact CA-O 3.47Å; T363-K399 PolarHBondContact O-N 3.43Å; T363-E400 PolarHBondContact O-N 2.88Å; T363-E400 VanDerWaalsContact O-N 3.08Å
364	S	90.9	Very high	91.8	Very high	4 Å²	4	37.2 Å²	37.2	3%	0.028	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	122.5	-177.9	179.3	0	0	0	0	109.5	K335 V336 C337 E400	K335-S364 PolarHBondContact O-N 2.77Å; V336-S364 CarbonylContact C-O 3.59Å; V336-S364 WeakPolarHBondContact CA-O 3.36Å; C337-S364 PolarHBondContact N-O 3.21Å; S364-E400 CarbonylContact C-O 3.49Å; S364-E400 WeakPolarHBondContact CA-O 3.35Å; S364-E400 WeakPolarHBondContact CB-OE2 3.43Å; S364-E400 PolarHBondContact OG-OE2 2.93Å
365	I	91.6	Very high	91.8	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	110.7	179	-54.5	-53.9	0	0	0	109.4	C337 F359 C362 G367 L369 V398 E400 I401 T402	C337-I365 HydrophobicContact CB-CD1 4.18Å; F359-I365 HydrophobicContact CD1-CD1 3.81Å; F359-I365 HydrophobicContact CE1-CD1 4.07Å; C362-I365 HydrophobicContact CB-CD1 3.95Å; I365-G367 VanDerWaalsContact C-N 3.29Å; I365-G367 PolarHBondContact O-N 3.18Å; I365-G367 VanDerWaalsContact O-N 3.08Å; I365-L369 HydrophobicContact CG1-CD1 4.25Å; I365-L369 HydrophobicContact CG1-CD2 4.25Å; I365-L369 HydrophobicContact CG1-CG 4.4Å; I365-L369 HydrophobicContact CG2-CD2 3.82Å; I365-L369 HydrophobicContact CG2-CG 4.15Å; I365-V398 HydrophobicContact CD1-CG2 4.06Å; I365-V398 HydrophobicContact CG1-CG1 3.87Å; I365-V398 HydrophobicContact CG1-CG2 4.09Å; I365-E400 PolarHBondContact N-O 3.42Å; I365-I401 HydrophobicContact CB-CG1 4.35Å; I365-I401 HydrophobicContact CG1-CG1 4.43Å; I365-T402 PolarHBondContact O-N 3.32Å; I365-T402 PolarHBondContact O-OG1 2.76Å
366	S	87.6	Confident	91.8	Very high	47 Å²	47	35.3 Å²	35.3	33%	0.329	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	75.5	171.8	-179.4	0	0	0	0	109.9	C337 G339 T402	C337-S366 PolarHBondContact O-N 3.49Å; G339-S366 PolarHBondContact N-O 2.69Å; S366-T402 WeakPolarHBondContact CA-OG1 3.25Å
367	G	86.1	Confident	91.7	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.01	22%	0.217	C	C	.	.	S	Bend	trans	147.3	-154.9	179.7	0	0	0	0	0	112.2	I365 T402 G403	I365-G367 VanDerWaalsContact C-N 3.29Å; I365-G367 PolarHBondContact O-N 3.18Å; I365-G367 VanDerWaalsContact O-N 3.08Å; G367-T402 PolarHBondContact N-OG1 3.42Å; G367-T402 VanDerWaalsContact N-OG1 3.07Å; G367-G403 WeakPolarHBondContact O-CA 3.3Å; G367-G403 PolarHBondContact O-N 2.98Å
368	D	89.8	Confident	91.5	Very high	16 Å²	16	40.5 Å²	40.5	9%	0.086	20%	0.201	C	C	.	.	B	Isolated β-bridge	trans	-100.2	159.1	-176.7	-55.3	-47.6	0	0	0	111.7	G339 I340 G403 F404 T430	G339-D368 CarbonylContact C-O 3.6Å; G339-D368 VanDerWaalsContact CA-O 3.29Å; G339-D368 WeakPolarHBondContact CA-O 3.38Å; I340-D368 PolarHBondContact N-O 3.34Å; D368-G403 WeakPolarHBondContact OD1-CA 3.29Å; D368-F404 WeakPolarHBondContact CA-O 3.22Å; D368-F404 HydrophobicContact CB-CD1 4Å; D368-F404 HydrophobicContact CB-CD2 4.47Å; D368-F404 HydrophobicContact CB-CE1 3.87Å; D368-F404 HydrophobicContact CB-CE2 4.34Å; D368-F404 HydrophobicContact CB-CG 4.31Å; D368-F404 HydrophobicContact CB-CZ 4.06Å; D368-F404 WeakPolarHBondContact OD1-CD1 3.43Å; D368-F404 WeakPolarHBondContact OD1-CE1 3.29Å; D368-F404 PolarHBondContact OD1-N 3.16Å; D368-F404 VanDerWaalsContact OD2-CE1 3.31Å; D368-F404 WeakPolarHBondContact OD2-CE1 3.23Å; D368-T430 WeakPolarHBondContact OD1-CB 3.24Å; D368-T430 PolarHBondContact OD1-OG1 3.49Å; D368-T430 PolarHBondContact OD2-OG1 3.08Å
369	L	95.6	Very high	91.4	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	120.7	169.6	-69.2	-172	0	0	0	110.4	I351 F359 I365 I401 F404 L405 L406 F420	I351-L369 HydrophobicContact CD1-CB 4.28Å; I351-L369 HydrophobicContact CD1-CD1 4.5Å; I351-L369 HydrophobicContact CD1-CD2 3.93Å; I351-L369 HydrophobicContact CD1-CG 4.47Å; F359-L369 HydrophobicContact CD1-CD2 4.46Å; F359-L369 HydrophobicContact CE1-CD2 3.82Å; F359-L369 HydrophobicContact CZ-CD2 4.35Å; I365-L369 HydrophobicContact CG1-CD1 4.25Å; I365-L369 HydrophobicContact CG1-CD2 4.25Å; I365-L369 HydrophobicContact CG1-CG 4.4Å; I365-L369 HydrophobicContact CG2-CD2 3.82Å; I365-L369 HydrophobicContact CG2-CG 4.15Å; L369-I401 HydrophobicContact CD1-CD1 3.76Å; L369-I401 HydrophobicContact CD1-CG1 4.25Å; L369-I401 HydrophobicContact CG-CD1 4.3Å; L369-F404 PolarHBondContact N-O 3.35Å; L369-L405 HydrophobicContact CB-CD1 3.82Å; L369-L405 HydrophobicContact CD1-CD1 4.43Å; L369-L406 PolarHBondContact O-N 2.94Å; L369-F420 HydrophobicContact CD1-CE1 3.7Å; L369-F420 HydrophobicContact CD1-CZ 4.09Å
370	H	93.6	Very high	91.2	Very high	32 Å²	32	43.6 Å²	43.6	15%	0.148	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	128.3	178.1	-56.1	164.8	0	0	0	110.8	I340 L349 S350 I351 L372 F404 L406	I340-H370 HydrophobicContact CG2-CB 4.34Å; I340-H370 WeakPolarHBondContact CG2-ND1 3.39Å; L349-H370 WeakPolarHBondContact O-CB 3.39Å; L349-H370 PolarHBondContact O-ND1 3.2Å; L349-H370 VanDerWaalsContact O-ND1 3.14Å; S350-H370 PolarHBondContact OG-O 3.36Å; I351-H370 WeakPolarHBondContact CG1-O 3.46Å; I351-H370 PolarHBondContact N-O 3.47Å; H370-L372 HydrophobicContact CB-CG 4.33Å; H370-F404 AromaticContact CD2-CE2 3.55Å; H370-F404 AromaticContact CD2-CZ 3.89Å; H370-F404 AromaticContact NE2-CE2 3.36Å; H370-F404 WeakPolarHBondContact NE2-CE2 3.24Å; H370-F404 AromaticContact NE2-CZ 3.17Å; H370-F404 WeakPolarHBondContact NE2-CZ 3.41Å; H370-L406 CarbonylContact C-O 3.58Å
371	I	96.1	Very high	91.1	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.005	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	101	173.6	-56.4	-176.7	0	0	0	108.2	I351 F376 L392 L395 L406 I407 Q408 A409 W410 F420	I351-I371 HydrophobicContact CB-CG1 4.5Å; I351-I371 HydrophobicContact CD1-CD1 4.15Å; I351-I371 HydrophobicContact CD1-CG1 3.87Å; I351-I371 HydrophobicContact CG1-CG1 4.46Å; I371-F376 HydrophobicContact CG2-CE2 3.74Å; I371-F376 HydrophobicContact CG2-CZ 3.92Å; I371-L392 HydrophobicContact CD1-CD2 4.41Å; I371-L395 HydrophobicContact CD1-CD1 4.43Å; I371-L406 PolarHBondContact N-O 3.28Å; I371-I407 HydrophobicContact CB-CG2 4.34Å; I371-Q408 PolarHBondContact O-N 2.68Å; I371-A409 WeakPolarHBondContact CG2-O 3.28Å; I371-A409 PolarHBondContact O-N 3.2Å; I371-W410 HydrophobicContact CD1-CZ3 3.79Å; I371-W410 HydrophobicContact CG2-CE3 4.42Å; I371-F420 HydrophobicContact CD1-CE2 3.93Å; I371-F420 HydrophobicContact CD1-CZ 3.97Å
372	L	92.9	Very high	90.9	Very high	32 Å²	32	45 Å²	45	17%	0.168	24%	0.239	C	C	.	.			trans	-113.5	158.5	-169.7	-54.7	-177.2	0	0	0	111.7	L349 S350 H370 V374 A375 L406 Q408	L349-L372 WeakPolarHBondContact O-CD1 3.28Å; S350-L372 PolarHBondContact OG-N 2.9Å; S350-L372 VanDerWaalsContact OG-N 3.12Å; H370-L372 HydrophobicContact CB-CG 4.33Å; L372-V374 HydrophobicContact CB-CG1 4.13Å; L372-V374 PolarHBondContact O-N 2.64Å; L372-A375 VanDerWaalsContact O-CB 3.31Å; L372-A375 WeakPolarHBondContact O-CB 3.31Å; L372-A375 PolarHBondContact O-N 2.88Å; L372-L406 HydrophobicContact CD2-CD2 4.18Å; L372-L406 HydrophobicContact CD2-CG 4.46Å; L372-Q408 HydrophobicContact CD2-CB 4.12Å; L372-Q408 HydrophobicContact CD2-CG 4.11Å
373	P	91.9	Very high	90.9	Very high	51 Å²	51	53 Å²	53	33%	0.331	28%	0.276	S	S	.	.	H	α-helix	trans	-55.1	-26.4	-179.2	-26.2	32.3	0	0	0	115.5	A375 R377 A409	P373-A375 VanDerWaalsContact C-N 3.28Å; P373-A375 PolarHBondContact O-N 2.84Å; P373-R377 WeakPolarHBondContact O-CG 3.46Å; P373-R377 PolarHBondContact O-N 3.06Å; P373-A409 HydrophobicContact CB-CB 4.21Å; P373-A409 HydrophobicContact CG-CB 3.98Å
374	V	89.8	Confident	90.9	Very high	56 Å²	56	53.4 Å²	53.4	34%	0.339	28%	0.278	S	S	.	.	H	α-helix	trans	-64.4	-29.9	176.5	65.9	0	0	0	0	112.6	L372 F376 R377 G378 D379	L372-V374 HydrophobicContact CB-CG1 4.13Å; L372-V374 PolarHBondContact O-N 2.64Å; V374-F376 PolarHBondContact O-N 3.47Å; V374-R377 PolarHBondContact O-N 2.78Å; V374-G378 CarbonylContact O-C 3.18Å; V374-G378 WeakPolarHBondContact O-CA 3.3Å; V374-G378 PolarHBondContact O-N 2.83Å; V374-D379 HydrophobicContact CG2-CB 3.76Å
375	A	92.8	Very high	91.1	Very high	2 Å²	2	56.5 Å²	56.5	2%	0.017	30%	0.299	C	S	.	.	H	α-helix	trans	-60	-45.3	179.1	0	0	0	0	0	112.3	I351 L372 P373 L387	I351-A375 WeakPolarHBondContact O-CB 3.19Å; L372-A375 VanDerWaalsContact O-CB 3.31Å; L372-A375 WeakPolarHBondContact O-CB 3.31Å; L372-A375 PolarHBondContact O-N 2.88Å; P373-A375 VanDerWaalsContact C-N 3.28Å; P373-A375 PolarHBondContact O-N 2.84Å; A375-L387 HydrophobicContact CB-CD2 4.34Å; A375-L387 WeakPolarHBondContact O-CB 3.35Å; A375-L387 PolarHBondContact O-N 3.03Å
376	F	94.5	Very high	91.3	Very high	48 Å²	48	60.4 Å²	60.4	21%	0.211	32%	0.324	C	S	.	.	H	α-helix	trans	-86.6	-12.6	-177.7	-55.7	-70	0	0	0	113.6	I371 V374 L387 L392 A409 P411	I371-F376 HydrophobicContact CG2-CE2 3.74Å; I371-F376 HydrophobicContact CG2-CZ 3.92Å; V374-F376 PolarHBondContact O-N 3.47Å; F376-L387 HydrophobicContact CD1-CB 4.31Å; F376-L387 HydrophobicContact CE1-CB 4.48Å; F376-L387 HydrophobicContact CE1-CD2 3.93Å; F376-L387 HydrophobicContact CE1-CG 4.29Å; F376-L387 HydrophobicContact CZ-CD2 4.36Å; F376-L392 HydrophobicContact CE1-CD1 3.99Å; F376-L392 HydrophobicContact CZ-CD1 4Å; F376-A409 HydrophobicContact CD2-CB 3.77Å; F376-A409 HydrophobicContact CE2-CB 3.87Å; F376-P411 HydrophobicContact CD1-CG 4.43Å; F376-P411 HydrophobicContact CE1-CG 3.81Å; F376-P411 HydrophobicContact CZ-CG 4.12Å
377	R	92.1	Very high	91.7	Very high	206 Å²	206	58.4 Å²	58.4	78%	0.777	31%	0.309	S	S	*	.	H	α-helix	trans	-93.9	-18.5	173.9	-69	178.3	-178.5	179.7	1	113.2	P373 V374	P373-R377 WeakPolarHBondContact O-CG 3.46Å; P373-R377 PolarHBondContact O-N 3.06Å; V374-R377 PolarHBondContact O-N 2.78Å
378	G	89.5	Confident	92.1	Very high	15 Å²	15	61.7 Å²	61.7	16%	0.155	33%	0.327	C	S	.	.			trans	75.2	169.4	-163.5	0	0	0	0	0	111.9	V374 T384	V374-G378 CarbonylContact O-C 3.18Å; V374-G378 WeakPolarHBondContact O-CA 3.3Å; V374-G378 PolarHBondContact O-N 2.83Å; G378-T384 CarbonylContact C-O 3.59Å; G378-T384 VanDerWaalsContact CA-O 3.31Å; G378-T384 WeakPolarHBondContact CA-O 3.26Å
379	D	90.5	Very high	92.3	Very high	46 Å²	46	62.9 Å²	62.9	25%	0.246	34%	0.335	C	S	.	.	B	Isolated β-bridge	trans	-135.8	111.2	174.3	172.4	29.9	0	0	0	110.7	V374 F381 T382 H383 T384	V374-D379 HydrophobicContact CG2-CB 3.76Å; D379-F381 PolarHBondContact O-N 3.38Å; D379-F381 WeakPolarHBondContact OD1-CB 3.48Å; D379-F381 PolarHBondContact OD1-N 2.72Å; D379-T382 VanDerWaalsContact OD2-CB 3.26Å; D379-T382 WeakPolarHBondContact OD2-CB 3.25Å; D379-T382 VanDerWaalsContact OD2-CG2 3.24Å; D379-T382 WeakPolarHBondContact OD2-CG2 3.45Å; D379-T382 PolarHBondContact OD2-N 3.21Å; D379-T382 PolarHBondContact OD2-OG1 3.21Å; D379-H383 CarbonylContact O-C 3.6Å; D379-H383 WeakPolarHBondContact O-CA 3.36Å; D379-H383 PolarHBondContact O-N 3.01Å; D379-T384 PolarHBondContact N-O 3.37Å; D379-T384 PolarHBondContact O-N 2.69Å
380	S	89.2	Confident	92.1	Very high	116 Å²	116	69.3 Å²	69.3	81%	0.811	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-19.9	177.4	-49.2	0	0	0	0	113.7
381	F	88.4	Confident	92.2	Very high	179 Å²	179	70 Å²	70	79%	0.785	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-54.4	178.7	-176.8	-100.6	0	0	0	111	D379 H383	D379-F381 PolarHBondContact O-N 3.38Å; D379-F381 WeakPolarHBondContact OD1-CB 3.48Å; D379-F381 PolarHBondContact OD1-N 2.72Å; F381-H383 PolarHBondContact O-N 3.21Å; F381-H383 PolarHBondContact O-ND1 2.92Å
382	T	84.2	Confident	92.2	Very high	84 Å²	84	70 Å²	70	52%	0.515	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77	2.9	173.4	60.1	0	0	0	0	114	D379 T384	D379-T382 VanDerWaalsContact OD2-CB 3.26Å; D379-T382 WeakPolarHBondContact OD2-CB 3.25Å; D379-T382 VanDerWaalsContact OD2-CG2 3.24Å; D379-T382 WeakPolarHBondContact OD2-CG2 3.45Å; D379-T382 PolarHBondContact OD2-N 3.21Å; D379-T382 PolarHBondContact OD2-OG1 3.21Å; T382-T384 PolarHBondContact O-N 2.73Å; T382-T384 WeakPolarHBondContact OG1-CB 3.47Å; T382-T384 PolarHBondContact OG1-OG1 3.41Å
383	H	90.8	Very high	92.3	Very high	168 Å²	168	71 Å²	71	78%	0.778	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.4	29.8	-175.7	-61.5	60.3	0	0	0	113	D379 F381	D379-H383 CarbonylContact O-C 3.6Å; D379-H383 WeakPolarHBondContact O-CA 3.36Å; D379-H383 PolarHBondContact O-N 3.01Å; F381-H383 PolarHBondContact O-N 3.21Å; F381-H383 PolarHBondContact O-ND1 2.92Å
384	T	90.6	Very high	92.5	Very high	17 Å²	17	70.5 Å²	70.5	10%	0.104	37%	0.368	C	S	.	.	B	Isolated β-bridge	trans	-88.1	120.1	-177.7	-65.4	0	0	0	0	110.1	N352 G378 D379 T382	N352-T384 HydrophobicContact CB-CG2 3.72Å; G378-T384 CarbonylContact C-O 3.59Å; G378-T384 VanDerWaalsContact CA-O 3.31Å; G378-T384 WeakPolarHBondContact CA-O 3.26Å; D379-T384 PolarHBondContact N-O 3.37Å; D379-T384 PolarHBondContact O-N 2.69Å; T382-T384 PolarHBondContact O-N 2.73Å; T382-T384 WeakPolarHBondContact OG1-CB 3.47Å; T382-T384 PolarHBondContact OG1-OG1 3.41Å
385	P	95.1	Very high	92.8	Very high	70 Å²	70	67.8 Å²	67.8	46%	0.455	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-72.1	162.8	177.1	28.8	-32.1	0	0	0	112.2	A353	A353-P385 HydrophobicContact CB-CG 3.92Å; A353-P385 WeakPolarHBondContact CB-O 3.23Å
386	P	95.7	Very high	92.9	Very high	81 Å²	81	70.4 Å²	70.4	53%	0.526	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-55.3	136.7	172.8	-24.3	34	0	0	0	112.7
387	L	95.6	Very high	92.9	Very high	6 Å²	6	69.7 Å²	69.7	3%	0.031	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-72.1	124.9	173.8	177.9	63.2	0	0	0	111.1	I356 A375 F376 P389 E391 L392	I356-L387 HydrophobicContact CB-CD1 4.24Å; I356-L387 HydrophobicContact CG1-CD1 4.44Å; I356-L387 HydrophobicContact CG2-CD1 3.92Å; A375-L387 HydrophobicContact CB-CD2 4.34Å; A375-L387 WeakPolarHBondContact O-CB 3.35Å; A375-L387 PolarHBondContact O-N 3.03Å; F376-L387 HydrophobicContact CD1-CB 4.31Å; F376-L387 HydrophobicContact CE1-CB 4.48Å; F376-L387 HydrophobicContact CE1-CD2 3.93Å; F376-L387 HydrophobicContact CE1-CG 4.29Å; F376-L387 HydrophobicContact CZ-CD2 4.36Å; L387-P389 WeakPolarHBondContact O-CD 3.39Å; L387-E391 HydrophobicContact CD1-CB 3.94Å; L387-L392 HydrophobicContact CD2-CD2 3.93Å; L387-L392 HydrophobicContact CD2-CG 4.43Å
388	D	95.4	Very high	93	Very high	70 Å²	70	59.9 Å²	59.9	37%	0.374	33%	0.325	S	S	.	.	P	Polyproline II helix	trans	-66.2	126	170.5	-175.4	-22	0	0	0	109.9	Q390 E391	D388-Q390 PolarHBondContact O-N 2.81Å; D388-Q390 WeakPolarHBondContact OD1-CB 3.24Å; D388-Q390 WeakPolarHBondContact OD1-CG 3.08Å; D388-Q390 PolarHBondContact OD1-N 2.81Å; D388-Q390 PolarHBondContact OD2-NE2 2.92Å; D388-E391 HydrophobicContact CB-CG 4.29Å; D388-E391 PolarHBondContact O-N 3.37Å
389	P	93.7	Very high	93.2	Very high	40 Å²	40	63 Å²	63	26%	0.26	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.1	-16.9	171	-31.5	39.1	0	0	0	116.7	L387 P411 R414	L387-P389 WeakPolarHBondContact O-CD 3.39Å; P389-P411 HydrophobicContact CB-CB 3.82Å; P389-P411 HydrophobicContact CB-CG 3.64Å; P389-P411 HydrophobicContact CG-CB 3.91Å; P389-P411 HydrophobicContact CG-CG 3.9Å; P389-R414 PolarHBondContact O-NH2 2.86Å
390	Q	92.8	Very high	93.2	Very high	136 Å²	136	61.9 Å²	61.9	64%	0.636	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-29.9	173.5	-64.5	176.4	87.2	0	0	112.9	D388 L392 D393	D388-Q390 PolarHBondContact O-N 2.81Å; D388-Q390 WeakPolarHBondContact OD1-CB 3.24Å; D388-Q390 WeakPolarHBondContact OD1-CG 3.08Å; D388-Q390 PolarHBondContact OD1-N 2.81Å; D388-Q390 PolarHBondContact OD2-NE2 2.92Å; Q390-L392 PolarHBondContact O-N 3.36Å; Q390-D393 WeakPolarHBondContact O-CB 3.39Å; Q390-D393 PolarHBondContact O-N 3.24Å; Q390-D393 VanDerWaalsContact O-N 3.09Å
391	E	95.2	Very high	93.3	Very high	46 Å²	46	56.4 Å²	56.4	22%	0.215	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-68.6	-15.8	178.1	-70.8	-162.9	135.3	0	0	112.3	I356 K357 L387 D388 D393 I394	I356-E391 HydrophobicContact CG1-CB 4.17Å; I356-E391 WeakPolarHBondContact CG1-O 3.23Å; I356-E391 HydrophobicContact CG2-CB 4.14Å; I356-E391 WeakPolarHBondContact CG2-OE2 3.48Å; K357-E391 WeakPolarHBondContact CE-OE1 3.29Å; K357-E391 VanDerWaalsContact NZ-CD 3.28Å; K357-E391 IonicContact NZ-OE1 3.58Å; K357-E391 PolarHBondContact NZ-OE1 3.16Å; K357-E391 IonicContact NZ-OE2 2.65Å; K357-E391 PolarHBondContact NZ-OE2 3.07Å; L387-E391 HydrophobicContact CD1-CB 3.94Å; D388-E391 HydrophobicContact CB-CG 4.29Å; D388-E391 PolarHBondContact O-N 3.37Å; E391-D393 PolarHBondContact O-N 3.26Å; E391-I394 HydrophobicContact CB-CD1 4.34Å; E391-I394 VanDerWaalsContact O-CB 3.24Å; E391-I394 WeakPolarHBondContact O-CB 3.47Å; E391-I394 WeakPolarHBondContact O-CD1 3.46Å; E391-I394 VanDerWaalsContact O-CG1 3.3Å; E391-I394 WeakPolarHBondContact O-CG1 3.38Å; E391-I394 PolarHBondContact O-N 3.01Å
392	L	95.5	Very high	93.1	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-62.1	-28	169.8	-67.7	172.7	0	0	0	113.3	I371 F376 L387 Q390 I394 L395 W410 P411 A419	I371-L392 HydrophobicContact CD1-CD2 4.41Å; F376-L392 HydrophobicContact CE1-CD1 3.99Å; F376-L392 HydrophobicContact CZ-CD1 4Å; L387-L392 HydrophobicContact CD2-CD2 3.93Å; L387-L392 HydrophobicContact CD2-CG 4.43Å; Q390-L392 PolarHBondContact O-N 3.36Å; L392-I394 PolarHBondContact O-N 3.46Å; L392-L395 PolarHBondContact O-N 3.49Å; L392-W410 HydrophobicContact CD1-CE3 4.36Å; L392-W410 HydrophobicContact CD1-CH2 3.91Å; L392-W410 HydrophobicContact CD1-CZ2 4.31Å; L392-W410 HydrophobicContact CD1-CZ3 3.95Å; L392-W410 HydrophobicContact CD2-CH2 4.5Å; L392-W410 HydrophobicContact CD2-CZ3 4.28Å; L392-P411 HydrophobicContact CD1-CG 3.69Å; L392-A419 HydrophobicContact CB-CB 4.3Å; L392-A419 WeakPolarHBondContact O-CB 3.22Å
393	D	95	Very high	93.1	Very high	53 Å²	53	44.7 Å²	44.7	28%	0.283	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-61.6	-15.7	177	-81.7	-70.8	0	0	0	112.3	Q390 E391 L395 K396 R414 H418	Q390-D393 WeakPolarHBondContact O-CB 3.39Å; Q390-D393 PolarHBondContact O-N 3.24Å; Q390-D393 VanDerWaalsContact O-N 3.09Å; E391-D393 PolarHBondContact O-N 3.26Å; D393-L395 PolarHBondContact O-N 3.08Å; D393-K396 HydrophobicContact CB-CD 4.5Å; D393-K396 WeakPolarHBondContact O-CB 3.33Å; D393-K396 PolarHBondContact O-N 3.08Å; D393-K396 WeakPolarHBondContact OD1-CD 3.32Å; D393-K396 WeakPolarHBondContact OD1-CE 3.43Å; D393-K396 IonicContact OD1-NZ 3.25Å; D393-K396 PolarHBondContact OD1-NZ 2.94Å; D393-R414 IonicContact OD2-CZ 2.7Å; D393-R414 IonicContact OD2-NH2 2.68Å; D393-R414 PolarHBondContact OD2-NH2 2.85Å; D393-H418 IonicContact OD1-CD2 3.01Å
394	I	95.6	Very high	93.1	Very high	41 Å²	41	37.1 Å²	37.1	21%	0.21	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-58.5	-34.9	171.4	-69.1	171.6	0	0	0	112	I356 F359 K360 E391 L392 K396 T397	I356-I394 HydrophobicContact CD1-CB 4.44Å; I356-I394 HydrophobicContact CG1-CB 4.44Å; I356-I394 HydrophobicContact CG1-CD1 4Å; F359-I394 HydrophobicContact CB-CG2 4.27Å; K360-I394 HydrophobicContact CB-CG2 4.33Å; E391-I394 HydrophobicContact CB-CD1 4.34Å; E391-I394 VanDerWaalsContact O-CB 3.24Å; E391-I394 WeakPolarHBondContact O-CB 3.47Å; E391-I394 WeakPolarHBondContact O-CD1 3.46Å; E391-I394 VanDerWaalsContact O-CG1 3.3Å; E391-I394 WeakPolarHBondContact O-CG1 3.38Å; E391-I394 PolarHBondContact O-N 3.01Å; L392-I394 PolarHBondContact O-N 3.46Å; I394-K396 PolarHBondContact O-N 2.95Å; I394-T397 PolarHBondContact O-OG1 2.91Å
395	L	96.6	Very high	93.4	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-73.9	-9.1	-175.9	-57.7	176.4	0	0	0	113.2	I351 I356 F359 I371 L392 D393 T397 V398 A419 F420	I351-L395 HydrophobicContact CD1-CD1 3.93Å; I356-L395 HydrophobicContact CD1-CD1 4.39Å; I356-L395 HydrophobicContact CD1-CD2 4.03Å; I356-L395 HydrophobicContact CD1-CG 4.06Å; F359-L395 HydrophobicContact CB-CD2 3.84Å; F359-L395 HydrophobicContact CD1-CD2 4.4Å; F359-L395 HydrophobicContact CG-CD2 4.16Å; I371-L395 HydrophobicContact CD1-CD1 4.43Å; L392-L395 PolarHBondContact O-N 3.49Å; D393-L395 PolarHBondContact O-N 3.08Å; L395-T397 PolarHBondContact O-N 2.81Å; L395-V398 VanDerWaalsContact O-CB 3.3Å; L395-V398 WeakPolarHBondContact O-CB 3.4Å; L395-V398 WeakPolarHBondContact O-CG2 3.47Å; L395-V398 PolarHBondContact O-N 3.33Å; L395-A419 CarbonylContact C-O 3.59Å; L395-A419 HydrophobicContact CB-CB 4.28Å; L395-F420 HydrophobicContact CB-CE1 4.2Å; L395-F420 HydrophobicContact CD1-CE1 4.02Å; L395-F420 HydrophobicContact CD1-CZ 3.71Å
396	K	95.2	Very high	93.3	Very high	57 Å²	57	33.3 Å²	33.3	25%	0.248	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-60.5	-14.6	178.3	-75.3	-178.3	164	171.5	0	114.9	D393 I394 H418 A419 E421 N422	D393-K396 HydrophobicContact CB-CD 4.5Å; D393-K396 WeakPolarHBondContact O-CB 3.33Å; D393-K396 PolarHBondContact O-N 3.08Å; D393-K396 WeakPolarHBondContact OD1-CD 3.32Å; D393-K396 WeakPolarHBondContact OD1-CE 3.43Å; D393-K396 IonicContact OD1-NZ 3.25Å; D393-K396 PolarHBondContact OD1-NZ 2.94Å; I394-K396 PolarHBondContact O-N 2.95Å; K396-H418 WeakPolarHBondContact CE-O 3.48Å; K396-A419 VanDerWaalsContact CA-O 3.3Å; K396-A419 WeakPolarHBondContact CA-O 3.45Å; K396-A419 PolarHBondContact N-O 3.28Å; K396-A419 VanDerWaalsContact N-O 3.17Å; K396-E421 WeakPolarHBondContact CD-OE1 3.4Å; K396-E421 WeakPolarHBondContact CE-OE1 3.43Å; K396-E421 IonicContact NZ-OE1 2.64Å; K396-E421 PolarHBondContact NZ-OE1 3.47Å; K396-N422 PolarHBondContact O-ND2 2.99Å
397	T	93.8	Very high	93.4	Very high	33 Å²	33	29.4 Å²	29.4	20%	0.202	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-80.3	-14.6	173.4	53.4	0	0	0	0	113.7	P332 C362 T363 I394 L395 K399	P332-T397 HydrophobicContact CB-CG2 4.48Å; P332-T397 HydrophobicContact CG-CG2 4.11Å; C362-T397 PolarHBondContact N-OG1 3.43Å; C362-T397 CarbonylContact O-C 3.5Å; C362-T397 PolarHBondContact O-OG1 3.46Å; C362-T397 VanDerWaalsContact O-OG1 3.06Å; T363-T397 WeakPolarHBondContact CA-O 3.47Å; I394-T397 PolarHBondContact O-OG1 2.91Å; L395-T397 PolarHBondContact O-N 2.81Å; T397-K399 PolarHBondContact O-N 2.75Å
398	V	95.2	Very high	93.2	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.164	C	C	.	.			trans	-74.7	118.3	-177.1	-179.6	0	0	0	0	111.2	C362 I365 L395 I401 N422 L423	C362-V398 WeakPolarHBondContact O-CA 3.46Å; C362-V398 WeakPolarHBondContact O-CG2 3.27Å; C362-V398 PolarHBondContact O-N 3.27Å; I365-V398 HydrophobicContact CD1-CG2 4.06Å; I365-V398 HydrophobicContact CG1-CG1 3.87Å; I365-V398 HydrophobicContact CG1-CG2 4.09Å; L395-V398 VanDerWaalsContact O-CB 3.3Å; L395-V398 WeakPolarHBondContact O-CB 3.4Å; L395-V398 WeakPolarHBondContact O-CG2 3.47Å; L395-V398 PolarHBondContact O-N 3.33Å; V398-I401 HydrophobicContact CG1-CG1 3.99Å; V398-N422 CarbonylContact O-C 3.59Å; V398-L423 HydrophobicContact CG1-CD1 4.26Å; V398-L423 WeakPolarHBondContact O-CA 3.37Å; V398-L423 PolarHBondContact O-N 2.79Å
399	K	92.4	Very high	93.1	Very high	79 Å²	79	30.5 Å²	30.5	34%	0.343	15%	0.152	S	C	.	.			trans	-104.9	-25.7	174.4	-74.5	170.9	162	-102.3	0	113	T363 T397 E424 I425	T363-K399 PolarHBondContact O-N 3.43Å; T397-K399 PolarHBondContact O-N 2.75Å; K399-E424 HydrophobicContact CB-CG 4.34Å; K399-E424 HydrophobicContact CG-CG 4.37Å; K399-E424 IonicContact NZ-OE1 2.88Å; K399-E424 PolarHBondContact NZ-OE1 3.04Å; K399-E424 WeakPolarHBondContact O-CA 3.43Å; K399-E424 PolarHBondContact O-N 2.89Å; K399-I425 PolarHBondContact O-N 2.94Å; K399-I425 VanDerWaalsContact O-N 3.14Å
400	E	90.9	Very high	93.2	Very high	24 Å²	24	29.5 Å²	29.5	11%	0.112	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	133.2	-173.6	176.5	178.9	-139.7	0	0	110.7	R334 T363 S364 I365 I425 R427	R334-E400 IonicContact NH2-OE2 3.82Å; R334-E400 PolarHBondContact NH2-OE2 3.23Å; R334-E400 VanDerWaalsContact NH2-OE2 3.13Å; T363-E400 PolarHBondContact O-N 2.88Å; T363-E400 VanDerWaalsContact O-N 3.08Å; S364-E400 CarbonylContact C-O 3.49Å; S364-E400 WeakPolarHBondContact CA-O 3.35Å; S364-E400 WeakPolarHBondContact CB-OE2 3.43Å; S364-E400 PolarHBondContact OG-OE2 2.93Å; I365-E400 PolarHBondContact N-O 3.42Å; E400-I425 WeakPolarHBondContact CA-O 3.44Å; E400-R427 IonicContact OE1-CZ 2.71Å; E400-R427 IonicContact OE1-NE 3.33Å; E400-R427 PolarHBondContact OE1-NE 3.02Å; E400-R427 IonicContact OE1-NH2 2.68Å; E400-R427 PolarHBondContact OE1-NH2 3.32Å
401	I	92.6	Very high	93.3	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	121.7	166.7	-62.9	169.7	0	0	0	107.4	I365 L369 V398 L405 L423 I425 I426 R427	I365-I401 HydrophobicContact CB-CG1 4.35Å; I365-I401 HydrophobicContact CG1-CG1 4.43Å; L369-I401 HydrophobicContact CD1-CD1 3.76Å; L369-I401 HydrophobicContact CD1-CG1 4.25Å; L369-I401 HydrophobicContact CG-CD1 4.3Å; V398-I401 HydrophobicContact CG1-CG1 3.99Å; I401-L405 HydrophobicContact CD1-CB 4.13Å; I401-L405 HydrophobicContact CD1-CD1 4.36Å; I401-L405 HydrophobicContact CD1-CD2 4.26Å; I401-L405 HydrophobicContact CD1-CG 4.49Å; I401-L423 HydrophobicContact CD1-CD1 3.83Å; I401-L423 HydrophobicContact CD1-CD2 3.88Å; I401-L423 HydrophobicContact CG1-CD1 3.82Å; I401-I425 PolarHBondContact N-O 3.19Å; I401-I426 CarbonylContact O-C 3.52Å; I401-I426 WeakPolarHBondContact O-CA 3.49Å; I401-R427 PolarHBondContact O-N 3.18Å
402	T	83.3	Confident	93	Very high	17 Å²	17	29 Å²	29	10%	0.104	14%	0.142	C	C	.	.	S	Bend	trans	-80.1	-25	-178	67.1	0	0	0	0	113.3	I365 S366 G367 R427 R429	I365-T402 PolarHBondContact O-N 3.32Å; I365-T402 PolarHBondContact O-OG1 2.76Å; S366-T402 WeakPolarHBondContact CA-OG1 3.25Å; G367-T402 PolarHBondContact N-OG1 3.42Å; G367-T402 VanDerWaalsContact N-OG1 3.07Å; T402-R427 WeakPolarHBondContact O-CB 3.36Å; T402-R429 VanDerWaalsContact O-CB 3.3Å; T402-R429 WeakPolarHBondContact O-CB 3.39Å; T402-R429 WeakPolarHBondContact O-CG 3.36Å; T402-R429 PolarHBondContact O-N 3.11Å; T402-R429 VanDerWaalsContact O-N 3.08Å
403	G	84.9	Confident	92.8	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.174	C	C	.	.	S	Bend	trans	-98.3	-133.3	176.1	0	0	0	0	0	112.6	G367 D368 I426 G428 T430	G367-G403 WeakPolarHBondContact O-CA 3.3Å; G367-G403 PolarHBondContact O-N 2.98Å; D368-G403 WeakPolarHBondContact OD1-CA 3.29Å; G403-I426 WeakPolarHBondContact O-CG2 3.46Å; G403-G428 WeakPolarHBondContact O-CA 3.34Å; G403-G428 PolarHBondContact O-N 3.05Å; G403-T430 WeakPolarHBondContact CA-OG1 3.45Å
404	F	89.9	Confident	92.6	Very high	10 Å²	10	35.6 Å²	35.6	4%	0.044	17%	0.172	C	C	.	.			trans	-113.1	160.1	177.9	68.8	-94.9	0	0	0	114	D368 L369 H370 L406 K431 Q432 S437	D368-F404 WeakPolarHBondContact CA-O 3.22Å; D368-F404 HydrophobicContact CB-CD1 4Å; D368-F404 HydrophobicContact CB-CD2 4.47Å; D368-F404 HydrophobicContact CB-CE1 3.87Å; D368-F404 HydrophobicContact CB-CE2 4.34Å; D368-F404 HydrophobicContact CB-CG 4.31Å; D368-F404 HydrophobicContact CB-CZ 4.06Å; D368-F404 WeakPolarHBondContact OD1-CD1 3.43Å; D368-F404 WeakPolarHBondContact OD1-CE1 3.29Å; D368-F404 PolarHBondContact OD1-N 3.16Å; D368-F404 VanDerWaalsContact OD2-CE1 3.31Å; D368-F404 WeakPolarHBondContact OD2-CE1 3.23Å; L369-F404 PolarHBondContact N-O 3.35Å; H370-F404 AromaticContact CD2-CE2 3.55Å; H370-F404 AromaticContact CD2-CZ 3.89Å; H370-F404 AromaticContact NE2-CE2 3.36Å; H370-F404 WeakPolarHBondContact NE2-CE2 3.24Å; H370-F404 AromaticContact NE2-CZ 3.17Å; H370-F404 WeakPolarHBondContact NE2-CZ 3.41Å; F404-L406 HydrophobicContact CD2-CB 3.93Å; F404-L406 HydrophobicContact CE2-CB 3.75Å; F404-L406 HydrophobicContact CE2-CD2 4.21Å; F404-K431 VanDerWaalsContact CD1-C 3.42Å; F404-K431 VanDerWaalsContact CD1-CA 3.49Å; F404-Q432 HydrophobicContact CD2-CB 3.86Å; F404-Q432 HydrophobicContact CE1-CB 4.34Å; F404-Q432 HydrophobicContact CE2-CB 3.63Å; F404-Q432 HydrophobicContact CE2-CG 4.29Å; F404-Q432 HydrophobicContact CG-CB 4.31Å; F404-Q432 HydrophobicContact CZ-CB 3.88Å; F404-S437 CarbonylContact C-O 3.51Å; F404-S437 VanDerWaalsContact CA-O 3.25Å; F404-S437 WeakPolarHBondContact CA-O 3.45Å; F404-S437 VanDerWaalsContact CB-O 3.3Å; F404-S437 WeakPolarHBondContact CB-O 3.35Å
405	L	96.3	Very high	92.5	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	118.4	173.1	177.3	58.2	0	0	0	110.2	L369 I401 I407 F420 L423 I426 S437 L438 A439	L369-L405 HydrophobicContact CB-CD1 3.82Å; L369-L405 HydrophobicContact CD1-CD1 4.43Å; I401-L405 HydrophobicContact CD1-CB 4.13Å; I401-L405 HydrophobicContact CD1-CD1 4.36Å; I401-L405 HydrophobicContact CD1-CD2 4.26Å; I401-L405 HydrophobicContact CD1-CG 4.49Å; L405-I407 HydrophobicContact CD1-CD1 4.24Å; L405-I407 HydrophobicContact CD1-CG1 4.04Å; L405-I407 HydrophobicContact CD2-CD1 4.36Å; L405-I407 HydrophobicContact CG-CD1 4.28Å; L405-I407 HydrophobicContact CG-CG1 4.21Å; L405-F420 HydrophobicContact CD1-CE1 4.2Å; L405-F420 HydrophobicContact CD1-CE2 3.99Å; L405-F420 HydrophobicContact CD1-CZ 3.7Å; L405-F420 HydrophobicContact CD2-CD1 4.45Å; L405-F420 HydrophobicContact CD2-CD2 4.25Å; L405-F420 HydrophobicContact CD2-CE2 4.34Å; L405-F420 HydrophobicContact CD2-CG 4.3Å; L405-F420 HydrophobicContact CD2-CZ 4.48Å; L405-L423 HydrophobicContact CD2-CD2 3.88Å; L405-I426 HydrophobicContact CB-CD1 4.28Å; L405-I426 HydrophobicContact CD2-CD1 4.48Å; L405-S437 PolarHBondContact N-O 3.42Å; L405-L438 HydrophobicContact CB-CD1 4.05Å; L405-L438 HydrophobicContact CD2-CD1 3.96Å; L405-L438 HydrophobicContact CG-CD1 4.08Å; L405-L438 WeakPolarHBondContact O-CA 3.48Å; L405-A439 PolarHBondContact O-N 3.25Å
406	L	94	Very high	92.5	Very high	6 Å²	6	39.1 Å²	39.1	3%	0.031	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	115.7	-178.9	173	64.6	0	0	0	110.9	L369 H370 I371 L372 F404 Q408 Q432 A439	L369-L406 PolarHBondContact O-N 2.94Å; H370-L406 CarbonylContact C-O 3.58Å; I371-L406 PolarHBondContact N-O 3.28Å; L372-L406 HydrophobicContact CD2-CD2 4.18Å; L372-L406 HydrophobicContact CD2-CG 4.46Å; F404-L406 HydrophobicContact CD2-CB 3.93Å; F404-L406 HydrophobicContact CE2-CB 3.75Å; F404-L406 HydrophobicContact CE2-CD2 4.21Å; L406-Q408 HydrophobicContact CD1-CG 3.81Å; L406-Q408 HydrophobicContact CG-CG 4.24Å; L406-Q432 HydrophobicContact CD2-CG 4.26Å; L406-A439 HydrophobicContact CD1-CB 3.56Å
407	I	96.7	Very high	92.5	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	108.9	178.4	-47.9	180	0	0	0	108.7	I371 L405 A409 W410 L417 F420 A439 V441 L443	I371-I407 HydrophobicContact CB-CG2 4.34Å; L405-I407 HydrophobicContact CD1-CD1 4.24Å; L405-I407 HydrophobicContact CD1-CG1 4.04Å; L405-I407 HydrophobicContact CD2-CD1 4.36Å; L405-I407 HydrophobicContact CG-CD1 4.28Å; L405-I407 HydrophobicContact CG-CG1 4.21Å; I407-A409 VanDerWaalsContact CG2-O 3.29Å; I407-A409 WeakPolarHBondContact CG2-O 3.5Å; I407-W410 HydrophobicContact CG2-CE3 3.94Å; I407-L417 HydrophobicContact CD1-CD1 3.98Å; I407-L417 HydrophobicContact CD1-CD2 3.98Å; I407-F420 HydrophobicContact CD1-CD2 4.13Å; I407-F420 HydrophobicContact CD1-CE2 3.83Å; I407-A439 PolarHBondContact N-O 3.16Å; I407-V441 PolarHBondContact O-N 3.36Å; I407-L443 HydrophobicContact CB-CD1 4.32Å; I407-L443 HydrophobicContact CG2-CD1 3.67Å; I407-L443 HydrophobicContact CG2-CD2 4.22Å
408	Q	92.1	Very high	92.6	Very high	83 Å²	83	35.3 Å²	35.3	39%	0.388	18%	0.176	S	C	.	.	S	Bend	trans	-113.5	-5.9	176.9	-64.4	-172.2	-11.1	0	0	113	I371 L372 L406	I371-Q408 PolarHBondContact O-N 2.68Å; L372-Q408 HydrophobicContact CD2-CB 4.12Å; L372-Q408 HydrophobicContact CD2-CG 4.11Å; L406-Q408 HydrophobicContact CD1-CG 3.81Å; L406-Q408 HydrophobicContact CG-CG 4.24Å
409	A	93.9	Very high	92.6	Very high	15 Å²	15	35.3 Å²	35.3	12%	0.124	18%	0.176	C	C	.	.			trans	-145.2	151.9	168.9	0	0	0	0	0	110.2	I371 P373 F376 I407	I371-A409 WeakPolarHBondContact CG2-O 3.28Å; I371-A409 PolarHBondContact O-N 3.2Å; P373-A409 HydrophobicContact CB-CB 4.21Å; P373-A409 HydrophobicContact CG-CB 3.98Å; F376-A409 HydrophobicContact CD2-CB 3.77Å; F376-A409 HydrophobicContact CE2-CB 3.87Å; I407-A409 VanDerWaalsContact CG2-O 3.29Å; I407-A409 WeakPolarHBondContact CG2-O 3.5Å
410	W	96	Very high	92.9	Very high	19 Å²	19	31.5 Å²	31.5	7%	0.072	16%	0.159	C	C	.	.			trans	-153	150.7	177.1	-160	-114.6	0	0	0	109.2	I371 L392 I407 E412 D416 L417 H418 A419 F420 L443 I445	I371-W410 HydrophobicContact CD1-CZ3 3.79Å; I371-W410 HydrophobicContact CG2-CE3 4.42Å; L392-W410 HydrophobicContact CD1-CE3 4.36Å; L392-W410 HydrophobicContact CD1-CH2 3.91Å; L392-W410 HydrophobicContact CD1-CZ2 4.31Å; L392-W410 HydrophobicContact CD1-CZ3 3.95Å; L392-W410 HydrophobicContact CD2-CH2 4.5Å; L392-W410 HydrophobicContact CD2-CZ3 4.28Å; I407-W410 HydrophobicContact CG2-CE3 3.94Å; W410-E412 PolarHBondContact O-N 3.33Å; W410-D416 PolarHBondContact NE1-O 3.4Å; W410-L417 HydrophobicContact CD2-CD2 3.87Å; W410-L417 HydrophobicContact CE3-CD2 4.28Å; W410-L417 HydrophobicContact CG-CD2 4.19Å; W410-L417 HydrophobicContact CZ2-CB 4.48Å; W410-L417 HydrophobicContact CZ2-CD2 4.24Å; W410-H418 AromaticContact CZ2-CE1 3.59Å; W410-H418 AromaticContact CZ2-ND1 3.87Å; W410-A419 HydrophobicContact CH2-CB 3.74Å; W410-A419 HydrophobicContact CZ2-CB 4.27Å; W410-F420 HydrophobicContact CH2-CE2 4.4Å; W410-F420 HydrophobicContact CZ3-CE2 4.43Å; W410-L443 HydrophobicContact CB-CD1 4.13Å; W410-L443 HydrophobicContact CB-CD2 3.96Å; W410-L443 HydrophobicContact CB-CG 4.45Å; W410-I445 HydrophobicContact CG-CG2 4.43Å
411	P	94.6	Very high	93	Very high	12 Å²	12	31.6 Å²	31.6	8%	0.078	16%	0.16	C	C	.	.			trans	-60.1	125.5	176.9	-23.6	35.1	0	0	0	111.5	F376 P389 L392 N413 R414	F376-P411 HydrophobicContact CD1-CG 4.43Å; F376-P411 HydrophobicContact CE1-CG 3.81Å; F376-P411 HydrophobicContact CZ-CG 4.12Å; P389-P411 HydrophobicContact CB-CB 3.82Å; P389-P411 HydrophobicContact CB-CG 3.64Å; P389-P411 HydrophobicContact CG-CB 3.91Å; P389-P411 HydrophobicContact CG-CG 3.9Å; L392-P411 HydrophobicContact CD1-CG 3.69Å; P411-N413 VanDerWaalsContact CB-OD1 3.23Å; P411-N413 WeakPolarHBondContact CB-OD1 3.04Å; P411-N413 PolarHBondContact O-N 3.25Å; P411-N413 VanDerWaalsContact O-N 3.11Å; P411-R414 HydrophobicContact CB-CG 4.05Å; P411-R414 HydrophobicContact CG-CG 4.48Å; P411-R414 PolarHBondContact O-N 3.11Å
412	E	89.4	Confident	93.1	Very high	159 Å²	159	34 Å²	34	74%	0.743	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-16.9	-174.1	-63.1	-174.2	172.4	0	0	113.8	W410 N444	W410-E412 PolarHBondContact O-N 3.33Å; E412-N444 HydrophobicContact CG-CB 4.46Å; E412-N444 PolarHBondContact O-ND2 3.17Å
413	N	90.1	Very high	93.7	Very high	125 Å²	125	33.1 Å²	33.1	67%	0.668	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-2.2	175	67.9	-18.4	0	0	0	114.3	P411	P411-N413 VanDerWaalsContact CB-OD1 3.23Å; P411-N413 WeakPolarHBondContact CB-OD1 3.04Å; P411-N413 PolarHBondContact O-N 3.25Å; P411-N413 VanDerWaalsContact O-N 3.11Å
414	R	91.8	Very high	94.1	Very high	67 Å²	67	35.3 Å²	35.3	25%	0.253	18%	0.178	S	C	.	.			trans	-106.9	125.4	176	-61	-73.6	-156.8	160.7	15.3	109.5	P389 D393 P411 H418	P389-R414 PolarHBondContact O-NH2 2.86Å; D393-R414 IonicContact OD2-CZ 2.7Å; D393-R414 IonicContact OD2-NH2 2.68Å; D393-R414 PolarHBondContact OD2-NH2 2.85Å; P411-R414 HydrophobicContact CB-CG 4.05Å; P411-R414 HydrophobicContact CG-CG 4.48Å; P411-R414 PolarHBondContact O-N 3.11Å; R414-H418 VanDerWaalsContact CD-CE1 3.45Å; R414-H418 WeakPolarHBondContact CD-CE1 3.2Å; R414-H418 VanDerWaalsContact CZ-NE2 3.33Å; R414-H418 PolarHBondContact NE-CE1 2.87Å; R414-H418 PolarHBondContact NE-NE2 3.48Å; R414-H418 PolarHBondContact NH2-NE2 3.32Å
415	T	93.8	Very high	94.1	Very high	87 Å²	87	36.6 Å²	36.6	53%	0.534	19%	0.185	S	C	.	.	S	Bend	trans	-81.2	-15.9	-175.6	42.7	0	0	0	0	114.2	I445 T446 S447	T415-I445 WeakPolarHBondContact O-CA 3.39Å; T415-I445 WeakPolarHBondContact O-CB 3.42Å; T415-T446 WeakPolarHBondContact CB-OG1 3.39Å; T415-T446 PolarHBondContact O-N 2.96Å; T415-T446 PolarHBondContact O-OG1 2.98Å; T415-S447 PolarHBondContact O-N 3.17Å
416	D	95.1	Very high	94	Very high	29 Å²	29	36.6 Å²	36.6	16%	0.155	19%	0.185	C	C	.	.	S	Bend	trans	-142.9	176.8	-174.8	73.6	-11.1	0	0	0	112.4	W410 H418	W410-D416 PolarHBondContact NE1-O 3.4Å; D416-H418 VanDerWaalsContact C-N 3.29Å; D416-H418 PolarHBondContact O-N 3.3Å; D416-H418 PolarHBondContact O-ND1 3.37Å; D416-H418 VanDerWaalsContact OD1-CB 3.31Å; D416-H418 WeakPolarHBondContact OD1-CB 3.26Å; D416-H418 IonicContact OD1-CG 2.67Å; D416-H418 PolarHBondContact OD1-N 3.41Å; D416-H418 IonicContact OD1-ND1 2.78Å; D416-H418 PolarHBondContact OD1-ND1 3.37Å
417	L	96.6	Very high	93.4	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.195	C	C	.	.			trans	-90.7	42.5	174.2	-50.5	173.4	0	0	0	112.3	I407 W410 A419 F420 V440 L443 I445 L448 L450	I407-L417 HydrophobicContact CD1-CD1 3.98Å; I407-L417 HydrophobicContact CD1-CD2 3.98Å; W410-L417 HydrophobicContact CD2-CD2 3.87Å; W410-L417 HydrophobicContact CE3-CD2 4.28Å; W410-L417 HydrophobicContact CG-CD2 4.19Å; W410-L417 HydrophobicContact CZ2-CB 4.48Å; W410-L417 HydrophobicContact CZ2-CD2 4.24Å; L417-A419 PolarHBondContact O-N 2.78Å; L417-F420 PolarHBondContact O-N 3.4Å; L417-V440 HydrophobicContact CD1-CG1 4.35Å; L417-V440 HydrophobicContact CD1-CG2 4.32Å; L417-L443 HydrophobicContact CD2-CD1 4.09Å; L417-I445 HydrophobicContact CD2-CD1 4.13Å; L417-I445 HydrophobicContact CD2-CG2 4.45Å; L417-I445 HydrophobicContact CG-CD1 4.18Å; L417-L448 WeakPolarHBondContact CB-O 3.45Å; L417-L448 HydrophobicContact CD1-CD2 4.37Å; L417-L448 WeakPolarHBondContact CG-O 3.34Å; L417-L448 PolarHBondContact N-O 3.44Å; L417-L448 VanDerWaalsContact N-O 3.11Å; L417-L450 HydrophobicContact CB-CD2 4.16Å; L417-L450 HydrophobicContact CD1-CD1 4.44Å; L417-L450 HydrophobicContact CD1-CD2 4.2Å; L417-L450 HydrophobicContact CD1-CG 4.37Å
418	H	94.8	Very high	92.7	Very high	9 Å²	9	39.4 Å²	39.4	4%	0.042	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-39.5	-33.2	-177.6	59.6	-72	0	0	0	116.4	D393 K396 W410 R414 D416 F420 E421	D393-H418 IonicContact OD1-CD2 3.01Å; K396-H418 WeakPolarHBondContact CE-O 3.48Å; W410-H418 AromaticContact CZ2-CE1 3.59Å; W410-H418 AromaticContact CZ2-ND1 3.87Å; R414-H418 VanDerWaalsContact CD-CE1 3.45Å; R414-H418 WeakPolarHBondContact CD-CE1 3.2Å; R414-H418 VanDerWaalsContact CZ-NE2 3.33Å; R414-H418 PolarHBondContact NE-CE1 2.87Å; R414-H418 PolarHBondContact NE-NE2 3.48Å; R414-H418 PolarHBondContact NH2-NE2 3.32Å; D416-H418 VanDerWaalsContact C-N 3.29Å; D416-H418 PolarHBondContact O-N 3.3Å; D416-H418 PolarHBondContact O-ND1 3.37Å; D416-H418 VanDerWaalsContact OD1-CB 3.31Å; D416-H418 WeakPolarHBondContact OD1-CB 3.26Å; D416-H418 IonicContact OD1-CG 2.67Å; D416-H418 PolarHBondContact OD1-N 3.41Å; D416-H418 IonicContact OD1-ND1 2.78Å; D416-H418 PolarHBondContact OD1-ND1 3.37Å; H418-F420 PolarHBondContact O-N 3Å; H418-E421 WeakPolarHBondContact O-CB 3.05Å; H418-E421 WeakPolarHBondContact O-CG 3.34Å; H418-E421 PolarHBondContact O-N 3.41Å
419	A	96.3	Very high	91.8	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-60.1	-23.4	177.7	0	0	0	0	0	113.8	L392 L395 K396 W410 L417	L392-A419 HydrophobicContact CB-CB 4.3Å; L392-A419 WeakPolarHBondContact O-CB 3.22Å; L395-A419 CarbonylContact C-O 3.59Å; L395-A419 HydrophobicContact CB-CB 4.28Å; K396-A419 VanDerWaalsContact CA-O 3.3Å; K396-A419 WeakPolarHBondContact CA-O 3.45Å; K396-A419 PolarHBondContact N-O 3.28Å; K396-A419 VanDerWaalsContact N-O 3.17Å; W410-A419 HydrophobicContact CH2-CB 3.74Å; W410-A419 HydrophobicContact CZ2-CB 4.27Å; L417-A419 PolarHBondContact O-N 2.78Å
420	F	97.2	Very high	90.6	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-112.3	20.3	-179	-60	-67.3	0	0	0	112.8	L369 I371 L395 L405 I407 W410 L417 H418 N422 L423 L450	L369-F420 HydrophobicContact CD1-CE1 3.7Å; L369-F420 HydrophobicContact CD1-CZ 4.09Å; I371-F420 HydrophobicContact CD1-CE2 3.93Å; I371-F420 HydrophobicContact CD1-CZ 3.97Å; L395-F420 HydrophobicContact CB-CE1 4.2Å; L395-F420 HydrophobicContact CD1-CE1 4.02Å; L395-F420 HydrophobicContact CD1-CZ 3.71Å; L405-F420 HydrophobicContact CD1-CE1 4.2Å; L405-F420 HydrophobicContact CD1-CE2 3.99Å; L405-F420 HydrophobicContact CD1-CZ 3.7Å; L405-F420 HydrophobicContact CD2-CD1 4.45Å; L405-F420 HydrophobicContact CD2-CD2 4.25Å; L405-F420 HydrophobicContact CD2-CE2 4.34Å; L405-F420 HydrophobicContact CD2-CG 4.3Å; L405-F420 HydrophobicContact CD2-CZ 4.48Å; I407-F420 HydrophobicContact CD1-CD2 4.13Å; I407-F420 HydrophobicContact CD1-CE2 3.83Å; W410-F420 HydrophobicContact CH2-CE2 4.4Å; W410-F420 HydrophobicContact CZ3-CE2 4.43Å; L417-F420 PolarHBondContact O-N 3.4Å; H418-F420 PolarHBondContact O-N 3Å; F420-N422 PolarHBondContact O-N 2.76Å; F420-N422 VanDerWaalsContact O-N 3.14Å; F420-L423 HydrophobicContact CB-CB 4.17Å; F420-L423 HydrophobicContact CB-CD2 4.31Å; F420-L423 HydrophobicContact CD1-CD2 4.38Å; F420-L423 VanDerWaalsContact O-CB 3.29Å; F420-L423 WeakPolarHBondContact O-CB 3.5Å; F420-L423 PolarHBondContact O-N 3.22Å; F420-L423 VanDerWaalsContact O-N 3.07Å; F420-L450 HydrophobicContact CB-CD2 3.59Å
421	E	94.7	Very high	89.7	Confident	26 Å²	26	47.3 Å²	47.3	12%	0.121	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-25.1	-178	69.4	178.7	146.8	0	0	114.1	K396 H418 R451 S452	K396-E421 WeakPolarHBondContact CD-OE1 3.4Å; K396-E421 WeakPolarHBondContact CE-OE1 3.43Å; K396-E421 IonicContact NZ-OE1 2.64Å; K396-E421 PolarHBondContact NZ-OE1 3.47Å; H418-E421 WeakPolarHBondContact O-CB 3.05Å; H418-E421 WeakPolarHBondContact O-CG 3.34Å; H418-E421 PolarHBondContact O-N 3.41Å; E421-R451 HydrophobicContact CB-CG 4.34Å; E421-R451 WeakPolarHBondContact O-CG 3.29Å; E421-R451 IonicContact OE2-CZ 3.61Å; E421-R451 IonicContact OE2-NE 2.75Å; E421-R451 PolarHBondContact OE2-NE 3Å; E421-R451 IonicContact OE2-NH2 3.16Å; E421-R451 PolarHBondContact OE2-NH2 2.91Å; E421-S452 VanDerWaalsContact O-CB 3.22Å; E421-S452 WeakPolarHBondContact O-CB 3.38Å; E421-S452 PolarHBondContact O-N 3.43Å; E421-S452 PolarHBondContact O-OG 3.01Å
422	N	94.1	Very high	88.4	Confident	49 Å²	49	48.8 Å²	48.8	26%	0.262	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102	6.2	179.4	-56.5	-52.2	0	0	0	113.6	K396 V398 F420 E424	K396-N422 PolarHBondContact O-ND2 2.99Å; V398-N422 CarbonylContact O-C 3.59Å; F420-N422 PolarHBondContact O-N 2.76Å; F420-N422 VanDerWaalsContact O-N 3.14Å; N422-E424 WeakPolarHBondContact O-CG 3.43Å; N422-E424 PolarHBondContact O-N 3.21Å
423	L	96.2	Very high	87.4	Confident	0 Å²	0	49 Å²	49	0%	0	23%	0.232	C	C	.	.			trans	-70	115.8	178.3	177.5	61.6	0	0	0	109.7	V398 I401 L405 F420 I426 S452 L453	V398-L423 HydrophobicContact CG1-CD1 4.26Å; V398-L423 WeakPolarHBondContact O-CA 3.37Å; V398-L423 PolarHBondContact O-N 2.79Å; I401-L423 HydrophobicContact CD1-CD1 3.83Å; I401-L423 HydrophobicContact CD1-CD2 3.88Å; I401-L423 HydrophobicContact CG1-CD1 3.82Å; L405-L423 HydrophobicContact CD2-CD2 3.88Å; F420-L423 HydrophobicContact CB-CB 4.17Å; F420-L423 HydrophobicContact CB-CD2 4.31Å; F420-L423 HydrophobicContact CD1-CD2 4.38Å; F420-L423 VanDerWaalsContact O-CB 3.29Å; F420-L423 WeakPolarHBondContact O-CB 3.5Å; F420-L423 PolarHBondContact O-N 3.22Å; F420-L423 VanDerWaalsContact O-N 3.07Å; L423-I426 HydrophobicContact CD2-CD1 4.01Å; L423-I426 HydrophobicContact CD2-CG1 3.95Å; L423-I426 HydrophobicContact CG-CG1 4.4Å; L423-S452 CarbonylContact O-C 3.56Å; L423-L453 HydrophobicContact CG-CD1 4.5Å; L423-L453 WeakPolarHBondContact O-CA 3.39Å; L423-L453 PolarHBondContact O-N 2.85Å; L423-L453 VanDerWaalsContact O-N 3.08Å
424	E	92.4	Very high	86.2	Confident	46 Å²	46	45.9 Å²	45.9	22%	0.215	23%	0.23	C	C	.	.			trans	-96.2	-38.7	-175.1	-56.1	-167.2	-122.8	0	0	113	K399 N422 S452 K454 E455	K399-E424 HydrophobicContact CB-CG 4.34Å; K399-E424 HydrophobicContact CG-CG 4.37Å; K399-E424 IonicContact NZ-OE1 2.88Å; K399-E424 PolarHBondContact NZ-OE1 3.04Å; K399-E424 WeakPolarHBondContact O-CA 3.43Å; K399-E424 PolarHBondContact O-N 2.89Å; N422-E424 WeakPolarHBondContact O-CG 3.43Å; N422-E424 PolarHBondContact O-N 3.21Å; E424-S452 WeakPolarHBondContact CA-O 3.36Å; E424-K454 PolarHBondContact O-N 2.93Å; E424-K454 IonicContact OE2-NZ 3.15Å; E424-K454 PolarHBondContact OE2-NZ 2.77Å; E424-E455 PolarHBondContact O-N 3.07Å
425	I	90.6	Very high	85.4	Confident	37 Å²	37	47.3 Å²	47.3	19%	0.19	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	131.7	-172.3	-55.8	-179.4	0	0	0	111.8	K399 E400 I401 R427 E455	K399-I425 PolarHBondContact O-N 2.94Å; K399-I425 VanDerWaalsContact O-N 3.14Å; E400-I425 WeakPolarHBondContact CA-O 3.44Å; I401-I425 PolarHBondContact N-O 3.19Å; I425-R427 HydrophobicContact CG2-CG 3.79Å; I425-E455 WeakPolarHBondContact CA-O 3.43Å; I425-E455 HydrophobicContact CG1-CB 4.18Å; I425-E455 HydrophobicContact CG2-CB 4.26Å
426	I	93.5	Very high	84.7	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	116.5	163.5	-58	174.3	0	0	0	108.3	I401 G403 L405 L423 L438 L453 E455 I456 S457	I401-I426 CarbonylContact O-C 3.52Å; I401-I426 WeakPolarHBondContact O-CA 3.49Å; G403-I426 WeakPolarHBondContact O-CG2 3.46Å; L405-I426 HydrophobicContact CB-CD1 4.28Å; L405-I426 HydrophobicContact CD2-CD1 4.48Å; L423-I426 HydrophobicContact CD2-CD1 4.01Å; L423-I426 HydrophobicContact CD2-CG1 3.95Å; L423-I426 HydrophobicContact CG-CG1 4.4Å; I426-L438 HydrophobicContact CD1-CB 4.29Å; I426-L438 HydrophobicContact CD1-CD1 4.07Å; I426-L438 HydrophobicContact CD1-CD2 4.48Å; I426-L453 HydrophobicContact CD1-CD1 4.35Å; I426-L453 HydrophobicContact CG1-CD1 4.16Å; I426-E455 PolarHBondContact N-O 3.39Å; I426-I456 CarbonylContact O-C 3.6Å; I426-I456 VanDerWaalsContact O-CA 3.24Å; I426-I456 WeakPolarHBondContact O-CA 3.42Å; I426-S457 PolarHBondContact O-N 3.12Å
427	R	80.9	Confident	84.4	Confident	64 Å²	64	43 Å²	43	24%	0.242	21%	0.212	C	C	.	.			trans	-86.5	-18.2	-174.5	-56.5	-167.3	-179.9	-71.7	-2.5	115.2	E400 I401 T402 I425 R429	E400-R427 IonicContact OE1-CZ 2.71Å; E400-R427 IonicContact OE1-NE 3.33Å; E400-R427 PolarHBondContact OE1-NE 3.02Å; E400-R427 IonicContact OE1-NH2 2.68Å; E400-R427 PolarHBondContact OE1-NH2 3.32Å; I401-R427 PolarHBondContact O-N 3.18Å; T402-R427 WeakPolarHBondContact O-CB 3.36Å; I425-R427 HydrophobicContact CG2-CG 3.79Å; R427-R429 HydrophobicContact CB-CG 4.28Å; R427-R429 PolarHBondContact O-N 3.29Å; R427-R429 VanDerWaalsContact O-N 3.14Å
428	G	82.4	Confident	84.3	Confident	0 Å²	0	43 Å²	43	0%	0	21%	0.212	C	C	.	.			trans	59.4	26.3	175.3	0	0	0	0	0	115.1	G403 T430 K431	G403-G428 WeakPolarHBondContact O-CA 3.34Å; G403-G428 PolarHBondContact O-N 3.05Å; G428-T430 CarbonylContact C-O 3.57Å; G428-T430 WeakPolarHBondContact CA-O 3.38Å; G428-K431 WeakPolarHBondContact O-CE 3.49Å; G428-K431 VanDerWaalsContact O-CG 3.31Å; G428-K431 WeakPolarHBondContact O-CG 3.41Å; G428-K431 PolarHBondContact O-NZ 3.31Å
429	R	74.2	Confident	84.2	Confident	177 Å²	177	42.8 Å²	42.8	67%	0.668	21%	0.211	S	C	*	.	S	Bend	trans	-60.4	-48.5	179.3	-66.1	177.4	176.9	169	-2.3	110.3	T402 R427	T402-R429 VanDerWaalsContact O-CB 3.3Å; T402-R429 WeakPolarHBondContact O-CB 3.39Å; T402-R429 WeakPolarHBondContact O-CG 3.36Å; T402-R429 PolarHBondContact O-N 3.11Å; T402-R429 VanDerWaalsContact O-N 3.08Å; R427-R429 HydrophobicContact CB-CG 4.28Å; R427-R429 PolarHBondContact O-N 3.29Å; R427-R429 VanDerWaalsContact O-N 3.14Å
430	T	68	Low	84.2	Confident	60 Å²	60	42.8 Å²	42.8	37%	0.368	21%	0.211	S	C	.	.	S	Bend	trans	-91.4	151.8	159.7	36.3	0	0	0	0	109.6	D368 G403 G428	D368-T430 WeakPolarHBondContact OD1-CB 3.24Å; D368-T430 PolarHBondContact OD1-OG1 3.49Å; D368-T430 PolarHBondContact OD2-OG1 3.08Å; G403-T430 WeakPolarHBondContact CA-OG1 3.45Å; G428-T430 CarbonylContact C-O 3.57Å; G428-T430 WeakPolarHBondContact CA-O 3.38Å
431	K	78.3	Confident	83.9	Confident	47 Å²	47	44.4 Å²	44.4	20%	0.204	22%	0.222	C	C	.	.			trans	-144.2	140.1	-174.4	-61.1	175.5	-177	64.4	0	110.6	F404 G428 H433 G434 F436 D458	F404-K431 VanDerWaalsContact CD1-C 3.42Å; F404-K431 VanDerWaalsContact CD1-CA 3.49Å; G428-K431 WeakPolarHBondContact O-CE 3.49Å; G428-K431 VanDerWaalsContact O-CG 3.31Å; G428-K431 WeakPolarHBondContact O-CG 3.41Å; G428-K431 PolarHBondContact O-NZ 3.31Å; K431-H433 PolarHBondContact O-N 2.88Å; K431-G434 WeakPolarHBondContact CD-O 3.16Å; K431-G434 WeakPolarHBondContact O-CA 3.15Å; K431-G434 PolarHBondContact O-N 3.39Å; K431-F436 CarbonylContact C-O 3.49Å; K431-F436 WeakPolarHBondContact CA-O 3.38Å; K431-D458 WeakPolarHBondContact CE-OD1 3.41Å; K431-D458 VanDerWaalsContact CE-OD2 3.31Å; K431-D458 WeakPolarHBondContact CE-OD2 3.42Å; K431-D458 IonicContact NZ-OD1 3.64Å; K431-D458 IonicContact NZ-OD2 2.73Å; K431-D458 PolarHBondContact NZ-OD2 2.81Å
432	Q	65.4	Low	83.7	Confident	43 Å²	43	47.4 Å²	47.4	20%	0.201	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-65.8	127	177.4	-178.8	58.9	-16.7	0	0	110.8	F404 L406 G434 Q435 F436	F404-Q432 HydrophobicContact CD2-CB 3.86Å; F404-Q432 HydrophobicContact CE1-CB 4.34Å; F404-Q432 HydrophobicContact CE2-CB 3.63Å; F404-Q432 HydrophobicContact CE2-CG 4.29Å; F404-Q432 HydrophobicContact CG-CB 4.31Å; F404-Q432 HydrophobicContact CZ-CB 3.88Å; L406-Q432 HydrophobicContact CD2-CG 4.26Å; Q432-G434 PolarHBondContact O-N 3.41Å; Q432-G434 VanDerWaalsContact O-N 3.14Å; Q432-Q435 PolarHBondContact O-N 3.22Å; Q432-F436 HydrophobicContact CB-CB 4.48Å; Q432-F436 PolarHBondContact N-O 3.4Å; Q432-F436 PolarHBondContact O-N 3.38Å; Q432-F436 VanDerWaalsContact O-N 3.1Å
433	H	68.4	Low	83.7	Confident	163 Å²	163	45.4 Å²	45.4	76%	0.755	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.2	26.7	-167.8	-51.6	124.5	0	0	0	113.9	K431 Q435	K431-H433 PolarHBondContact O-N 2.88Å; H433-Q435 PolarHBondContact O-N 2.97Å
434	G	65.6	Low	83.7	Confident	60 Å²	60	48.9 Å²	48.9	62%	0.619	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.4	-1.9	-175.4	0	0	0	0	0	115.4	K431 Q432	K431-G434 WeakPolarHBondContact CD-O 3.16Å; K431-G434 WeakPolarHBondContact O-CA 3.15Å; K431-G434 PolarHBondContact O-N 3.39Å; Q432-G434 PolarHBondContact O-N 3.41Å; Q432-G434 VanDerWaalsContact O-N 3.14Å
435	Q	75.9	Confident	83.8	Confident	97 Å²	97	46.8 Å²	46.8	45%	0.453	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.7	-49.6	-173.2	-177.6	172.1	8.5	0	0	114.2	Q432 H433 D460	Q432-Q435 PolarHBondContact O-N 3.22Å; H433-Q435 PolarHBondContact O-N 2.97Å; Q435-D460 HydrophobicContact CG-CB 4.05Å; Q435-D460 PolarHBondContact NE2-OD2 2.89Å; Q435-D460 PolarHBondContact O-N 3.49Å
436	F	79.1	Confident	84.1	Confident	24 Å²	24	46.8 Å²	46.8	11%	0.105	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	130.2	-166.6	-58.3	-79.2	0	0	0	113.1	K431 Q432 D460 I462	K431-F436 CarbonylContact C-O 3.49Å; K431-F436 WeakPolarHBondContact CA-O 3.38Å; Q432-F436 HydrophobicContact CB-CB 4.48Å; Q432-F436 PolarHBondContact N-O 3.4Å; Q432-F436 PolarHBondContact O-N 3.38Å; Q432-F436 VanDerWaalsContact O-N 3.1Å; F436-D460 CarbonylContact C-O 3.57Å; F436-D460 VanDerWaalsContact CA-O 3.23Å; F436-D460 WeakPolarHBondContact CA-O 3.43Å; F436-D460 HydrophobicContact CD1-CB 3.52Å; F436-D460 HydrophobicContact CE1-CB 3.7Å; F436-D460 HydrophobicContact CG-CB 4.44Å; F436-I462 HydrophobicContact CB-CG2 4.17Å; F436-I462 HydrophobicContact CD1-CB 3.69Å; F436-I462 HydrophobicContact CD1-CG2 3.6Å; F436-I462 HydrophobicContact CD2-CG2 4.31Å; F436-I462 HydrophobicContact CE1-CB 3.75Å; F436-I462 HydrophobicContact CE1-CG2 4.08Å; F436-I462 HydrophobicContact CG-CB 4.33Å; F436-I462 HydrophobicContact CG-CG2 3.74Å; F436-I462 HydrophobicContact CZ-CB 4.42Å; F436-I462 HydrophobicContact CZ-CD1 4.42Å
437	S	88.2	Confident	84.2	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	-21.2	172.9	53.7	0	0	0	0	113.4	F404 L405 I456 D458 G459 D460	F404-S437 CarbonylContact C-O 3.51Å; F404-S437 VanDerWaalsContact CA-O 3.25Å; F404-S437 WeakPolarHBondContact CA-O 3.45Å; F404-S437 VanDerWaalsContact CB-O 3.3Å; F404-S437 WeakPolarHBondContact CB-O 3.35Å; L405-S437 PolarHBondContact N-O 3.42Å; S437-I456 WeakPolarHBondContact OG-CG2 3.29Å; S437-D458 WeakPolarHBondContact CB-O 3.48Å; S437-D458 PolarHBondContact OG-O 3.41Å; S437-G459 VanDerWaalsContact OG-C 3.25Å; S437-G459 WeakPolarHBondContact OG-CA 3.5Å; S437-G459 PolarHBondContact OG-O 3.08Å; S437-G459 VanDerWaalsContact OG-O 3.13Å; S437-D460 PolarHBondContact N-O 2.95Å
438	L	94.6	Very high	84.9	Confident	1 Å²	1	44.3 Å²	44.3	1%	0.005	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	124.4	170.2	177.9	61.9	0	0	0	110.2	L405 I426 V440 L450 L453 I456 V461 I462 W477	L405-L438 HydrophobicContact CB-CD1 4.05Å; L405-L438 HydrophobicContact CD2-CD1 3.96Å; L405-L438 HydrophobicContact CG-CD1 4.08Å; L405-L438 WeakPolarHBondContact O-CA 3.48Å; I426-L438 HydrophobicContact CD1-CB 4.29Å; I426-L438 HydrophobicContact CD1-CD1 4.07Å; I426-L438 HydrophobicContact CD1-CD2 4.48Å; L438-V440 HydrophobicContact CD1-CG2 4.05Å; L438-V440 HydrophobicContact CG-CG2 4.34Å; L438-L450 HydrophobicContact CD2-CD1 4.31Å; L438-L453 HydrophobicContact CD2-CD2 4.5Å; L438-I456 HydrophobicContact CD2-CD1 4.13Å; L438-V461 HydrophobicContact CB-CG1 4.38Å; L438-V461 HydrophobicContact CB-CG2 4.24Å; L438-V461 HydrophobicContact CD2-CG1 4.2Å; L438-V461 HydrophobicContact CG-CG1 4.4Å; L438-V461 WeakPolarHBondContact O-CA 3.19Å; L438-I462 PolarHBondContact O-N 3.3Å; L438-W477 HydrophobicContact CD2-CH2 4.19Å; L438-W477 HydrophobicContact CD2-CZ3 4.1Å
439	A	92.1	Very high	85.5	Confident	4 Å²	4	44.3 Å²	44.3	3%	0.033	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	115.9	-179.3	0	0	0	0	0	111.5	L405 L406 I407 I462	L405-A439 PolarHBondContact O-N 3.25Å; L406-A439 HydrophobicContact CD1-CB 3.56Å; I407-A439 PolarHBondContact N-O 3.16Å; A439-I462 WeakPolarHBondContact CA-O 3.34Å; A439-I462 HydrophobicContact CB-CG2 3.54Å
440	V	95.8	Very high	86.5	Confident	0 Å²	0	36 Å²	36	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	99.4	-177.7	-175.4	0	0	0	0	108.9	L417 L438 L443 I445 L448 I462 I463 S464 N466	L417-V440 HydrophobicContact CD1-CG1 4.35Å; L417-V440 HydrophobicContact CD1-CG2 4.32Å; L438-V440 HydrophobicContact CD1-CG2 4.05Å; L438-V440 HydrophobicContact CG-CG2 4.34Å; V440-L443 HydrophobicContact CG1-CD1 3.57Å; V440-L443 HydrophobicContact CG1-CG 4.37Å; V440-I445 HydrophobicContact CG1-CD1 4.03Å; V440-L448 HydrophobicContact CG1-CD2 4.32Å; V440-I462 PolarHBondContact N-O 3.07Å; V440-I463 HydrophobicContact CB-CG1 4.31Å; V440-I463 HydrophobicContact CB-CG2 4.48Å; V440-I463 WeakPolarHBondContact O-CA 3.25Å; V440-S464 PolarHBondContact O-N 3.48Å; V440-S464 VanDerWaalsContact O-N 3.08Å; V440-N466 PolarHBondContact O-ND2 3.43Å
441	V	91	Very high	87.7	Confident	35 Å²	35	35.5 Å²	35.5	21%	0.212	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	132.1	-162.6	-175.8	0	0	0	0	112.5	I407 L443 S464	I407-V441 PolarHBondContact O-N 3.36Å; V441-L443 WeakPolarHBondContact O-CD2 3.4Å; V441-L443 PolarHBondContact O-N 3.06Å; V441-S464 WeakPolarHBondContact CA-O 3.36Å
442	S	91.6	Very high	88.4	Confident	88 Å²	88	34.8 Å²	34.8	62%	0.615	20%	0.199	S	C	*	.	S	Bend	trans	59.4	32.7	172.3	-59.8	0	0	0	0	116.1	S464 N466	S442-S464 PolarHBondContact N-O 2.76Å; S442-N466 PolarHBondContact N-OD1 2.9Å
443	L	94.1	Very high	89.8	Confident	8 Å²	8	33 Å²	33	4%	0.042	19%	0.191	C	C	.	.			trans	-94.2	159.3	-178.4	-48.7	-175.7	0	0	0	113	I407 W410 L417 V440 V441 I445 N466	I407-L443 HydrophobicContact CB-CD1 4.32Å; I407-L443 HydrophobicContact CG2-CD1 3.67Å; I407-L443 HydrophobicContact CG2-CD2 4.22Å; W410-L443 HydrophobicContact CB-CD1 4.13Å; W410-L443 HydrophobicContact CB-CD2 3.96Å; W410-L443 HydrophobicContact CB-CG 4.45Å; L417-L443 HydrophobicContact CD2-CD1 4.09Å; V440-L443 HydrophobicContact CG1-CD1 3.57Å; V440-L443 HydrophobicContact CG1-CG 4.37Å; V441-L443 WeakPolarHBondContact O-CD2 3.4Å; V441-L443 PolarHBondContact O-N 3.06Å; L443-I445 HydrophobicContact CB-CD1 4.34Å; L443-I445 HydrophobicContact CB-CG1 4.06Å; L443-I445 HydrophobicContact CB-CG2 4.39Å; L443-I445 HydrophobicContact CD1-CD1 4.04Å; L443-N466 WeakPolarHBondContact CB-OD1 3.42Å; L443-N466 PolarHBondContact N-OD1 3.3Å; L443-N466 WeakPolarHBondContact O-CA 3.12Å
444	N	94.8	Very high	90.9	Very high	73 Å²	73	31.6 Å²	31.6	39%	0.39	18%	0.182	S	C	.	.			trans	-86.6	-1.8	179.1	-158.4	40.8	0	0	0	114.2	E412 N468	E412-N444 HydrophobicContact CG-CB 4.46Å; E412-N444 PolarHBondContact O-ND2 3.17Å; N444-N468 PolarHBondContact O-ND2 2.99Å; N444-N468 PolarHBondContact OD1-ND2 2.91Å
445	I	96.2	Very high	92.1	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.005	17%	0.168	C	C	.	.			trans	-61	150.1	-173.6	63.3	180	0	0	0	113.9	W410 T415 L417 V440 L443 L448 N468 L469	W410-I445 HydrophobicContact CG-CG2 4.43Å; T415-I445 WeakPolarHBondContact O-CA 3.39Å; T415-I445 WeakPolarHBondContact O-CB 3.42Å; L417-I445 HydrophobicContact CD2-CD1 4.13Å; L417-I445 HydrophobicContact CD2-CG2 4.45Å; L417-I445 HydrophobicContact CG-CD1 4.18Å; V440-I445 HydrophobicContact CG1-CD1 4.03Å; L443-I445 HydrophobicContact CB-CD1 4.34Å; L443-I445 HydrophobicContact CB-CG1 4.06Å; L443-I445 HydrophobicContact CB-CG2 4.39Å; L443-I445 HydrophobicContact CD1-CD1 4.04Å; I445-L448 HydrophobicContact CD1-CD2 4.23Å; I445-N468 CarbonylContact O-C 3.59Å; I445-L469 HydrophobicContact CG1-CD1 4.41Å; I445-L469 WeakPolarHBondContact O-CA 3.35Å; I445-L469 PolarHBondContact O-N 3.32Å
446	T	95.1	Very high	92.8	Very high	38 Å²	38	27.3 Å²	27.3	23%	0.233	15%	0.146	C	C	.	.	S	Bend	trans	-96.3	-29.5	174.7	48.7	0	0	0	0	113	T415 N468 C470 Y471	T415-T446 WeakPolarHBondContact CB-OG1 3.39Å; T415-T446 PolarHBondContact O-N 2.96Å; T415-T446 PolarHBondContact O-OG1 2.98Å; T446-N468 HydrophobicContact CG2-CB 4.05Å; T446-C470 PolarHBondContact O-N 3.06Å; T446-Y471 WeakPolarHBondContact O-CD2 3.44Å; T446-Y471 WeakPolarHBondContact O-CE2 3.17Å
447	S	96.5	Very high	93.1	Very high	11 Å²	11	27.3 Å²	27.3	8%	0.077	15%	0.149	C	C	.	.			trans	-136.4	162.7	-176.1	37.2	0	0	0	0	110.4	T415 W516	T415-S447 PolarHBondContact O-N 3.17Å; S447-W516 WeakPolarHBondContact CB-O 3.47Å
448	L	95.6	Very high	92.6	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.005	16%	0.164	C	C	.	.			trans	-85.9	-42.1	176.5	-70.2	176.7	0	0	0	111.1	L417 V440 I445 L450 I463 L469 A472 W477 W516	L417-L448 WeakPolarHBondContact CB-O 3.45Å; L417-L448 HydrophobicContact CD1-CD2 4.37Å; L417-L448 WeakPolarHBondContact CG-O 3.34Å; L417-L448 PolarHBondContact N-O 3.44Å; L417-L448 VanDerWaalsContact N-O 3.11Å; V440-L448 HydrophobicContact CG1-CD2 4.32Å; I445-L448 HydrophobicContact CD1-CD2 4.23Å; L448-L450 HydrophobicContact CB-CG 4.35Å; L448-L450 PolarHBondContact O-N 3.03Å; L448-I463 HydrophobicContact CD1-CD1 3.99Å; L448-I463 HydrophobicContact CD2-CD1 4.48Å; L448-L469 HydrophobicContact CD2-CD1 4.23Å; L448-L469 HydrophobicContact CD2-CD2 4.03Å; L448-L469 HydrophobicContact CG-CD1 4.17Å; L448-A472 HydrophobicContact CD1-CB 4.05Å; L448-W477 HydrophobicContact CD1-CH2 4.31Å; L448-W477 HydrophobicContact CD1-CZ2 4.14Å; L448-W516 HydrophobicContact CB-CE3 3.98Å; L448-W516 HydrophobicContact CD1-CE3 3.85Å; L448-W516 HydrophobicContact CD1-CZ3 3.82Å; L448-W516 PolarHBondContact N-O 3.31Å
449	G	94.3	Very high	91.8	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.165	C	C	.	.			trans	70.4	6.7	179.6	0	0	0	0	0	115.5	R451 W516	G449-R451 PolarHBondContact O-N 3.41Å; G449-W516 PolarHBondContact N-O 3.4Å; G449-W516 VanDerWaalsContact N-O 3.15Å
450	L	95.8	Very high	91.6	Very high	1 Å²	1	31 Å²	31	1%	0.005	17%	0.169	C	C	.	.			trans	-75.8	46.3	179.5	-57.4	179.1	0	0	0	112.4	L417 F420 L438 L448 S452 L453 W516	L417-L450 HydrophobicContact CB-CD2 4.16Å; L417-L450 HydrophobicContact CD1-CD1 4.44Å; L417-L450 HydrophobicContact CD1-CD2 4.2Å; L417-L450 HydrophobicContact CD1-CG 4.37Å; F420-L450 HydrophobicContact CB-CD2 3.59Å; L438-L450 HydrophobicContact CD2-CD1 4.31Å; L448-L450 HydrophobicContact CB-CG 4.35Å; L448-L450 PolarHBondContact O-N 3.03Å; L450-S452 PolarHBondContact O-N 3.33Å; L450-S452 VanDerWaalsContact O-N 3.08Å; L450-L453 HydrophobicContact CB-CB 4.22Å; L450-L453 HydrophobicContact CB-CD2 4.4Å; L450-L453 HydrophobicContact CD1-CD2 4.14Å; L450-L453 VanDerWaalsContact O-CB 3.29Å; L450-L453 WeakPolarHBondContact O-CB 3.21Å; L450-L453 PolarHBondContact O-N 2.77Å; L450-W516 HydrophobicContact CB-CD2 4.25Å; L450-W516 HydrophobicContact CB-CE3 3.99Å; L450-W516 HydrophobicContact CB-CZ3 4.2Å
451	R	92.7	Very high	91.4	Very high	50 Å²	50	31 Å²	31	19%	0.189	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-24.8	-165	54.2	-178.4	142.9	-104.7	-6.4	115.7	E421 G449 R521 D522	E421-R451 HydrophobicContact CB-CG 4.34Å; E421-R451 WeakPolarHBondContact O-CG 3.29Å; E421-R451 IonicContact OE2-CZ 3.61Å; E421-R451 IonicContact OE2-NE 2.75Å; E421-R451 PolarHBondContact OE2-NE 3Å; E421-R451 IonicContact OE2-NH2 3.16Å; E421-R451 PolarHBondContact OE2-NH2 2.91Å; G449-R451 PolarHBondContact O-N 3.41Å; R451-R521 WeakPolarHBondContact CD-O 3.36Å; R451-D522 IonicContact CZ-OD1 3.74Å; R451-D522 IonicContact NH1-OD1 3.25Å; R451-D522 PolarHBondContact NH1-OD1 2.92Å
452	S	93.7	Very high	91.4	Very high	33 Å²	33	30.6 Å²	30.6	23%	0.231	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90	-4.6	178.6	-58	0	0	0	0	114.4	E421 L423 E424 L450 K454	E421-S452 VanDerWaalsContact O-CB 3.22Å; E421-S452 WeakPolarHBondContact O-CB 3.38Å; E421-S452 PolarHBondContact O-N 3.43Å; E421-S452 PolarHBondContact O-OG 3.01Å; L423-S452 CarbonylContact O-C 3.56Å; E424-S452 WeakPolarHBondContact CA-O 3.36Å; L450-S452 PolarHBondContact O-N 3.33Å; L450-S452 VanDerWaalsContact O-N 3.08Å; S452-K454 WeakPolarHBondContact O-CG 3.44Å; S452-K454 PolarHBondContact O-N 2.99Å
453	L	95.2	Very high	91.6	Very high	6 Å²	6	26.4 Å²	26.4	3%	0.031	14%	0.136	C	C	.	.			trans	-72.4	110.3	-171.2	-176.3	62	0	0	0	111.7	L423 I426 L438 L450 I456 L480 W516	L423-L453 HydrophobicContact CG-CD1 4.5Å; L423-L453 WeakPolarHBondContact O-CA 3.39Å; L423-L453 PolarHBondContact O-N 2.85Å; L423-L453 VanDerWaalsContact O-N 3.08Å; I426-L453 HydrophobicContact CD1-CD1 4.35Å; I426-L453 HydrophobicContact CG1-CD1 4.16Å; L438-L453 HydrophobicContact CD2-CD2 4.5Å; L450-L453 HydrophobicContact CB-CB 4.22Å; L450-L453 HydrophobicContact CB-CD2 4.4Å; L450-L453 HydrophobicContact CD1-CD2 4.14Å; L450-L453 VanDerWaalsContact O-CB 3.29Å; L450-L453 WeakPolarHBondContact O-CB 3.21Å; L450-L453 PolarHBondContact O-N 2.77Å; L453-I456 HydrophobicContact CD1-CG1 4.45Å; L453-I456 HydrophobicContact CD2-CD1 4.24Å; L453-I456 HydrophobicContact CD2-CG1 4.36Å; L453-L480 WeakPolarHBondContact O-CD2 3.14Å; L453-W516 HydrophobicContact CB-CH2 4.4Å; L453-W516 HydrophobicContact CB-CZ2 4.07Å; L453-W516 HydrophobicContact CD2-CH2 3.96Å; L453-W516 HydrophobicContact CD2-CZ2 4.44Å
454	K	90.2	Very high	91.4	Very high	133 Å²	133	27.2 Å²	27.2	58%	0.578	14%	0.142	S	C	*	.			trans	-103.9	-31.3	-176.7	-67.5	157	-170.9	173.5	0	112.9	E424 S452 L480	E424-K454 PolarHBondContact O-N 2.93Å; E424-K454 IonicContact OE2-NZ 3.15Å; E424-K454 PolarHBondContact OE2-NZ 2.77Å; S452-K454 WeakPolarHBondContact O-CG 3.44Å; S452-K454 PolarHBondContact O-N 2.99Å; K454-L480 VanDerWaalsContact O-CD2 3.31Å; K454-L480 WeakPolarHBondContact O-CD2 3.46Å
455	E	91.9	Very high	91.1	Very high	66 Å²	66	24.8 Å²	24.8	31%	0.308	14%	0.135	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	135.3	-171.3	-162.8	-164.8	139	0	0	112.8	E424 I425 I426 S457 L480	E424-E455 PolarHBondContact O-N 3.07Å; I425-E455 WeakPolarHBondContact CA-O 3.43Å; I425-E455 HydrophobicContact CG1-CB 4.18Å; I425-E455 HydrophobicContact CG2-CB 4.26Å; I426-E455 PolarHBondContact N-O 3.39Å; E455-S457 VanDerWaalsContact OE1-CB 3.26Å; E455-S457 WeakPolarHBondContact OE1-CB 3.16Å; E455-S457 PolarHBondContact OE1-OG 2.92Å; E455-L480 CarbonylContact C-O 3.47Å
456	I	91.4	Very high	91	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	90.9	163.6	-56.1	179.9	0	0	0	106.5	I426 S437 L438 L453 D458 V461 W477 L480 F481 G482 Q486	I426-I456 CarbonylContact O-C 3.6Å; I426-I456 VanDerWaalsContact O-CA 3.24Å; I426-I456 WeakPolarHBondContact O-CA 3.42Å; S437-I456 WeakPolarHBondContact OG-CG2 3.29Å; L438-I456 HydrophobicContact CD2-CD1 4.13Å; L453-I456 HydrophobicContact CD1-CG1 4.45Å; L453-I456 HydrophobicContact CD2-CD1 4.24Å; L453-I456 HydrophobicContact CD2-CG1 4.36Å; I456-D458 VanDerWaalsContact C-N 3.26Å; I456-D458 PolarHBondContact O-N 2.81Å; I456-V461 HydrophobicContact CD1-CG2 3.72Å; I456-W477 HydrophobicContact CD1-CE3 4.28Å; I456-W477 HydrophobicContact CD1-CZ3 3.93Å; I456-L480 PolarHBondContact N-O 2.94Å; I456-F481 HydrophobicContact CB-CD1 4.33Å; I456-G482 PolarHBondContact O-N 2.67Å; I456-G482 VanDerWaalsContact O-N 3.13Å; I456-Q486 PolarHBondContact O-NE2 3.42Å
457	S	83.8	Confident	90.8	Very high	24 Å²	24	30.9 Å²	30.9	17%	0.168	16%	0.158	C	C	.	.			trans	-59.6	-34.8	-165.7	-43.4	0	0	0	0	113.5	I426 E455 G482 Q486	I426-S457 PolarHBondContact O-N 3.12Å; E455-S457 VanDerWaalsContact OE1-CB 3.26Å; E455-S457 WeakPolarHBondContact OE1-CB 3.16Å; E455-S457 PolarHBondContact OE1-OG 2.92Å; S457-G482 WeakPolarHBondContact O-CA 3.38Å; S457-Q486 PolarHBondContact O-OE1 2.78Å
458	D	78.5	Confident	90.8	Very high	59 Å²	59	33.1 Å²	33.1	32%	0.316	17%	0.169	S	C	.	.	S	Bend	trans	-155.6	162.4	-177.9	-169.9	0.8	0	0	0	109.8	K431 S437 I456 Q486	K431-D458 WeakPolarHBondContact CE-OD1 3.41Å; K431-D458 VanDerWaalsContact CE-OD2 3.31Å; K431-D458 WeakPolarHBondContact CE-OD2 3.42Å; K431-D458 IonicContact NZ-OD1 3.64Å; K431-D458 IonicContact NZ-OD2 2.73Å; K431-D458 PolarHBondContact NZ-OD2 2.81Å; S437-D458 WeakPolarHBondContact CB-O 3.48Å; S437-D458 PolarHBondContact OG-O 3.41Å; I456-D458 VanDerWaalsContact C-N 3.26Å; I456-D458 PolarHBondContact O-N 2.81Å; D458-Q486 VanDerWaalsContact C-NE2 3.26Å
459	G	78.6	Confident	90.8	Very high	3 Å²	3	33.2 Å²	33.2	3%	0.031	17%	0.169	C	C	.	.	S	Bend	trans	86.5	150.9	178.3	0	0	0	0	0	115.2	S437 Q486	S437-G459 VanDerWaalsContact OG-C 3.25Å; S437-G459 WeakPolarHBondContact OG-CA 3.5Å; S437-G459 PolarHBondContact OG-O 3.08Å; S437-G459 VanDerWaalsContact OG-O 3.13Å; G459-Q486 WeakPolarHBondContact O-CG 3.47Å; G459-Q486 PolarHBondContact O-NE2 3.45Å
460	D	85.9	Confident	90.8	Very high	21 Å²	21	33.7 Å²	33.7	11%	0.112	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	159.7	179.7	-77.6	-6.9	0	0	0	112.1	Q435 F436 S437 Q486 K487	Q435-D460 HydrophobicContact CG-CB 4.05Å; Q435-D460 PolarHBondContact NE2-OD2 2.89Å; Q435-D460 PolarHBondContact O-N 3.49Å; F436-D460 CarbonylContact C-O 3.57Å; F436-D460 VanDerWaalsContact CA-O 3.23Å; F436-D460 WeakPolarHBondContact CA-O 3.43Å; F436-D460 HydrophobicContact CD1-CB 3.52Å; F436-D460 HydrophobicContact CE1-CB 3.7Å; F436-D460 HydrophobicContact CG-CB 4.44Å; S437-D460 PolarHBondContact N-O 2.95Å; D460-Q486 WeakPolarHBondContact OD1-CA 3.41Å; D460-K487 WeakPolarHBondContact CA-O 3.19Å; D460-K487 WeakPolarHBondContact CB-O 3.36Å; D460-K487 PolarHBondContact OD1-N 3.09Å
461	V	92.6	Very high	90.8	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	128.4	175.6	178	0	0	0	0	110.1	L438 I456 I463 W477 F481 K487 T488 K489	L438-V461 HydrophobicContact CB-CG1 4.38Å; L438-V461 HydrophobicContact CB-CG2 4.24Å; L438-V461 HydrophobicContact CD2-CG1 4.2Å; L438-V461 HydrophobicContact CG-CG1 4.4Å; L438-V461 WeakPolarHBondContact O-CA 3.19Å; I456-V461 HydrophobicContact CD1-CG2 3.72Å; V461-I463 HydrophobicContact CG1-CD1 4.05Å; V461-I463 HydrophobicContact CG1-CG1 3.96Å; V461-W477 HydrophobicContact CB-CE3 4.49Å; V461-W477 HydrophobicContact CG1-CE3 4.18Å; V461-W477 HydrophobicContact CG1-CH2 4.02Å; V461-W477 HydrophobicContact CG1-CZ3 3.83Å; V461-W477 HydrophobicContact CG2-CE3 4.07Å; V461-W477 HydrophobicContact CG2-CZ3 4.1Å; V461-F481 HydrophobicContact CG2-CE1 3.62Å; V461-F481 HydrophobicContact CG2-CZ 3.98Å; V461-K487 PolarHBondContact N-O 2.84Å; V461-T488 CarbonylContact O-C 3.49Å; V461-T488 WeakPolarHBondContact O-CA 3.48Å; V461-K489 PolarHBondContact O-N 3.28Å
462	I	91.8	Very high	90.7	Very high	26 Å²	26	31.9 Å²	31.9	13%	0.133	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	122.9	173.5	-174.9	172.5	0	0	0	111.4	F436 L438 A439 V440 K489	F436-I462 HydrophobicContact CB-CG2 4.17Å; F436-I462 HydrophobicContact CD1-CB 3.69Å; F436-I462 HydrophobicContact CD1-CG2 3.6Å; F436-I462 HydrophobicContact CD2-CG2 4.31Å; F436-I462 HydrophobicContact CE1-CB 3.75Å; F436-I462 HydrophobicContact CE1-CG2 4.08Å; F436-I462 HydrophobicContact CG-CB 4.33Å; F436-I462 HydrophobicContact CG-CG2 3.74Å; F436-I462 HydrophobicContact CZ-CB 4.42Å; F436-I462 HydrophobicContact CZ-CD1 4.42Å; L438-I462 PolarHBondContact O-N 3.3Å; A439-I462 WeakPolarHBondContact CA-O 3.34Å; A439-I462 HydrophobicContact CB-CG2 3.54Å; V440-I462 PolarHBondContact N-O 3.07Å; I462-K489 HydrophobicContact CB-CB 4.41Å; I462-K489 HydrophobicContact CD1-CD 4.05Å; I462-K489 HydrophobicContact CG1-CB 4.23Å; I462-K489 HydrophobicContact CG1-CD 4.37Å; I462-K489 HydrophobicContact CG1-CG 4.36Å
463	I	94.4	Very high	90.6	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	100.6	178.8	-56.7	179.4	0	0	0	107.3	V440 L448 V461 L469 A472 W477 K489 I490 I491 N493	V440-I463 HydrophobicContact CB-CG1 4.31Å; V440-I463 HydrophobicContact CB-CG2 4.48Å; V440-I463 WeakPolarHBondContact O-CA 3.25Å; L448-I463 HydrophobicContact CD1-CD1 3.99Å; L448-I463 HydrophobicContact CD2-CD1 4.48Å; V461-I463 HydrophobicContact CG1-CD1 4.05Å; V461-I463 HydrophobicContact CG1-CG1 3.96Å; I463-L469 HydrophobicContact CG2-CD2 3.45Å; I463-L469 VanDerWaalsContact CG2-CD2 3.45Å; I463-A472 HydrophobicContact CD1-CB 4.21Å; I463-A472 HydrophobicContact CG2-CB 4.33Å; I463-W477 HydrophobicContact CD1-CH2 3.75Å; I463-W477 HydrophobicContact CD1-CZ2 3.53Å; I463-K489 PolarHBondContact N-O 3.5Å; I463-I490 HydrophobicContact CB-CG1 4.24Å; I463-I490 HydrophobicContact CB-CG2 4.37Å; I463-I490 HydrophobicContact CD1-CD1 4.45Å; I463-I490 WeakPolarHBondContact O-CA 3.49Å; I463-I491 PolarHBondContact O-N 3.33Å; I463-N493 PolarHBondContact O-ND2 3.28Å
464	S	90.6	Very high	90.5	Very high	25 Å²	25	36.6 Å²	36.6	18%	0.175	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	136.9	-164.9	-178.3	0	0	0	0	114.6	V440 V441 S442 N466 I491	V440-S464 PolarHBondContact O-N 3.48Å; V440-S464 VanDerWaalsContact O-N 3.08Å; V441-S464 WeakPolarHBondContact CA-O 3.36Å; S442-S464 PolarHBondContact N-O 2.76Å; S464-N466 VanDerWaalsContact C-N 3.32Å; S464-N466 PolarHBondContact N-ND2 2.79Å; S464-N466 PolarHBondContact O-ND2 3.16Å; S464-I491 VanDerWaalsContact CA-O 3.3Å; S464-I491 WeakPolarHBondContact CA-O 3.33Å
465	G	88	Confident	90.7	Very high	22 Å²	22	30.7 Å²	30.7	23%	0.227	17%	0.166	C	C	.	.			trans	80.2	8.1	174	0	0	0	0	0	115	K467 I491 S492 N493	G465-K467 PolarHBondContact O-N 2.94Å; G465-K467 VanDerWaalsContact O-N 3.17Å; G465-I491 PolarHBondContact N-O 2.82Å; G465-S492 CarbonylContact C-O 3.49Å; G465-S492 WeakPolarHBondContact CA-O 3.35Å; G465-S492 PolarHBondContact N-O 2.89Å; G465-N493 PolarHBondContact N-OD1 2.75Å
466	N	94.6	Very high	90.8	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.167	C	C	.	.			trans	-85	90.8	-175.8	-50.6	-76.3	0	0	0	109.4	V440 S442 L443 S464 N468 L469 N493	V440-N466 PolarHBondContact O-ND2 3.43Å; S442-N466 PolarHBondContact N-OD1 2.9Å; L443-N466 WeakPolarHBondContact CB-OD1 3.42Å; L443-N466 PolarHBondContact N-OD1 3.3Å; L443-N466 WeakPolarHBondContact O-CA 3.12Å; S464-N466 VanDerWaalsContact C-N 3.32Å; S464-N466 PolarHBondContact N-ND2 2.79Å; S464-N466 PolarHBondContact O-ND2 3.16Å; N466-N468 PolarHBondContact O-N 3.11Å; N466-L469 HydrophobicContact CB-CB 3.64Å; N466-L469 HydrophobicContact CB-CD2 3.82Å; N466-L469 HydrophobicContact CB-CG 4.4Å; N466-L469 PolarHBondContact O-N 3.36Å; N466-L469 VanDerWaalsContact O-N 3.12Å; N466-N493 WeakPolarHBondContact CB-OD1 3.05Å; N466-N493 PolarHBondContact N-OD1 3.14Å; N466-N493 PolarHBondContact ND2-OD1 2.97Å; N466-N493 WeakPolarHBondContact O-CA 3.2Å
467	K	91.9	Very high	90.8	Very high	168 Å²	168	31.2 Å²	31.2	73%	0.73	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-29.6	-164	-65	178	-177.1	171.9	0	115.2	G465 R494	G465-K467 PolarHBondContact O-N 2.94Å; G465-K467 VanDerWaalsContact O-N 3.17Å; K467-R494 WeakPolarHBondContact O-CB 3.29Å
468	N	94.8	Very high	91.2	Very high	57 Å²	57	38.5 Å²	38.5	31%	0.305	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.9	-8	-175.3	-55.6	-30.3	0	0	0	113.4	N444 I445 T446 N466	N444-N468 PolarHBondContact O-ND2 2.99Å; N444-N468 PolarHBondContact OD1-ND2 2.91Å; I445-N468 CarbonylContact O-C 3.59Å; T446-N468 HydrophobicContact CG2-CB 4.05Å; N466-N468 PolarHBondContact O-N 3.11Å
469	L	96.1	Very high	91.8	Very high	3 Å²	3	42.1 Å²	42.1	2%	0.016	21%	0.211	C	C	.	.			trans	-76.6	124.7	-169.1	177.6	61.2	0	0	0	112.2	I445 L448 I463 N466 A472 R494	I445-L469 HydrophobicContact CG1-CD1 4.41Å; I445-L469 WeakPolarHBondContact O-CA 3.35Å; I445-L469 PolarHBondContact O-N 3.32Å; L448-L469 HydrophobicContact CD2-CD1 4.23Å; L448-L469 HydrophobicContact CD2-CD2 4.03Å; L448-L469 HydrophobicContact CG-CD1 4.17Å; I463-L469 HydrophobicContact CG2-CD2 3.45Å; I463-L469 VanDerWaalsContact CG2-CD2 3.45Å; N466-L469 HydrophobicContact CB-CB 3.64Å; N466-L469 HydrophobicContact CB-CD2 3.82Å; N466-L469 HydrophobicContact CB-CG 4.4Å; N466-L469 PolarHBondContact O-N 3.36Å; N466-L469 VanDerWaalsContact O-N 3.12Å; L469-A472 HydrophobicContact CD2-CB 4.16Å; L469-A472 HydrophobicContact CG-CB 4.34Å; L469-R494 WeakPolarHBondContact O-CB 3.47Å; L469-R494 PolarHBondContact O-N 3.13Å
470	C	94.5	Very high	92.3	Very high	10 Å²	10	42.6 Å²	42.6	7%	0.068	21%	0.213	C	C	.	.			trans	-111.4	-43.5	-174.8	-79.7	0	0	0	0	115.8	T446 A472 C499 Q504	T446-C470 PolarHBondContact O-N 3.06Å; C470-A472 PolarHBondContact O-N 3.27Å; C470-C499 WeakPolarHBondContact CA-SG 3.4Å; C470-C499 HydrophobicContact CB-CB 3.58Å; C470-C499 WeakPolarHBondContact CB-SG 3.43Å; C470-C499 WeakPolarHBondContact SG-CB 3.29Å; C470-C499 CovalentContact SG-SG 2.03Å; C470-C499 PolarHBondContact SG-SG 2.94Å; C470-Q504 HydrophobicContact CB-CB 4.2Å; C470-Q504 PolarHBondContact SG-OE1 2.82Å
471	Y	94.7	Very high	92.5	Very high	11 Å²	11	43.1 Å²	43.1	4%	0.043	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-78.9	-13.9	-162.6	-52.1	-88.4	0	0	0	114.9	T446 N473 T474 Q504 P518	T446-Y471 WeakPolarHBondContact O-CD2 3.44Å; T446-Y471 WeakPolarHBondContact O-CE2 3.17Å; Y471-N473 PolarHBondContact O-N 3.2Å; Y471-N473 VanDerWaalsContact O-N 3.11Å; Y471-T474 WeakPolarHBondContact O-CB 3.36Å; Y471-T474 PolarHBondContact O-N 3.07Å; Y471-T474 PolarHBondContact O-OG1 2.8Å; Y471-Q504 WeakPolarHBondContact OH-CA 3.4Å; Y471-Q504 WeakPolarHBondContact OH-CB 3.4Å; Y471-P518 HydrophobicContact CE1-CB 4.17Å
472	A	92.6	Very high	91.8	Very high	2 Å²	2	45.6 Å²	45.6	2%	0.017	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-60.6	-24.7	-173.4	0	0	0	0	0	115	L448 I463 L469 C470 W477 I490	L448-A472 HydrophobicContact CD1-CB 4.05Å; I463-A472 HydrophobicContact CD1-CB 4.21Å; I463-A472 HydrophobicContact CG2-CB 4.33Å; L469-A472 HydrophobicContact CD2-CB 4.16Å; L469-A472 HydrophobicContact CG-CB 4.34Å; C470-A472 PolarHBondContact O-N 3.27Å; A472-W477 PolarHBondContact O-NE1 2.93Å; A472-I490 HydrophobicContact CB-CG2 4.36Å
473	N	90.6	Very high	91	Very high	86 Å²	86	46.7 Å²	46.7	46%	0.46	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-77.1	-17.9	174.8	-76	18.4	0	0	0	113.5	Y471 I490 E496	Y471-N473 PolarHBondContact O-N 3.2Å; Y471-N473 VanDerWaalsContact O-N 3.11Å; N473-I490 WeakPolarHBondContact OD1-CG2 3.43Å; N473-E496 PolarHBondContact ND2-OE2 3.29Å
474	T	93.1	Very high	90.1	Very high	53 Å²	53	53.3 Å²	53.3	33%	0.325	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-28	-175.5	72.2	0	0	0	0	112.8	Y471 N476 G514 C515	Y471-T474 WeakPolarHBondContact O-CB 3.36Å; Y471-T474 PolarHBondContact O-N 3.07Å; Y471-T474 PolarHBondContact O-OG1 2.8Å; T474-N476 PolarHBondContact O-N 3.47Å; T474-G514 WeakPolarHBondContact O-CA 3.25Å; T474-C515 PolarHBondContact OG1-N 2.89Å; T474-C515 VanDerWaalsContact OG1-N 3.09Å; T474-C515 PolarHBondContact OG1-O 3.42Å; T474-C515 VanDerWaalsContact OG1-O 3.09Å
475	I	94.1	Very high	89.5	Confident	9 Å²	9	56 Å²	56	5%	0.046	31%	0.312	C	S	.	.	S	Bend	trans	-67.2	127.6	-175.6	-60.2	-66	0	0	0	110.8	W477 L480 C515 W516 V524	I475-W477 HydrophobicContact CB-CD2 4.43Å; I475-W477 HydrophobicContact CB-CG 4.47Å; I475-W477 HydrophobicContact CB-CZ2 4.35Å; I475-W477 HydrophobicContact CG2-CD2 3.88Å; I475-W477 HydrophobicContact CG2-CE3 4.44Å; I475-W477 HydrophobicContact CG2-CG 4.01Å; I475-W477 HydrophobicContact CG2-CZ2 4.32Å; I475-W477 PolarHBondContact O-N 3.03Å; I475-L480 HydrophobicContact CG2-CD1 3.92Å; I475-C515 VanDerWaalsContact CD1-C 3.47Å; I475-C515 WeakPolarHBondContact CD1-O 3.29Å; I475-W516 HydrophobicContact CD1-CD2 3.62Å; I475-W516 HydrophobicContact CD1-CE3 3.81Å; I475-W516 HydrophobicContact CD1-CG 4.1Å; I475-W516 HydrophobicContact CD1-CH2 4.22Å; I475-W516 HydrophobicContact CD1-CZ2 4.04Å; I475-W516 HydrophobicContact CD1-CZ3 4.11Å; I475-W516 HydrophobicContact CG1-CD2 4.33Å; I475-W516 HydrophobicContact CG1-CE3 4Å; I475-W516 HydrophobicContact CG1-CH2 4.28Å; I475-W516 HydrophobicContact CG1-CZ3 3.97Å; I475-W516 HydrophobicContact CG2-CH2 4.03Å; I475-W516 HydrophobicContact CG2-CZ2 4.33Å; I475-W516 HydrophobicContact CG2-CZ3 4.47Å; I475-V524 HydrophobicContact CD1-CG2 3.36Å
476	N	93.6	Very high	89.4	Confident	63 Å²	63	55.6 Å²	55.6	34%	0.337	31%	0.305	S	S	.	.			trans	-75.4	69.9	170.2	-170.3	3.4	0	0	0	112	T474 K478 K479 E513	T474-N476 PolarHBondContact O-N 3.47Å; N476-K478 PolarHBondContact O-N 2.84Å; N476-K479 PolarHBondContact O-N 3.49Å; N476-E513 WeakPolarHBondContact CB-OE2 3.39Å; N476-E513 PolarHBondContact N-O 3.34Å; N476-E513 VanDerWaalsContact N-O 3.07Å; N476-E513 PolarHBondContact ND2-OE2 3.18Å
477	W	92.6	Very high	89.1	Confident	14 Å²	14	62.5 Å²	62.5	5%	0.053	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-50.4	-29	-174.5	-68	94.3	0	0	0	114.7	L438 L448 I456 V461 I463 A472 I475 K479 L480 F481 T488 I490 W516	L438-W477 HydrophobicContact CD2-CH2 4.19Å; L438-W477 HydrophobicContact CD2-CZ3 4.1Å; L448-W477 HydrophobicContact CD1-CH2 4.31Å; L448-W477 HydrophobicContact CD1-CZ2 4.14Å; I456-W477 HydrophobicContact CD1-CE3 4.28Å; I456-W477 HydrophobicContact CD1-CZ3 3.93Å; V461-W477 HydrophobicContact CB-CE3 4.49Å; V461-W477 HydrophobicContact CG1-CE3 4.18Å; V461-W477 HydrophobicContact CG1-CH2 4.02Å; V461-W477 HydrophobicContact CG1-CZ3 3.83Å; V461-W477 HydrophobicContact CG2-CE3 4.07Å; V461-W477 HydrophobicContact CG2-CZ3 4.1Å; I463-W477 HydrophobicContact CD1-CH2 3.75Å; I463-W477 HydrophobicContact CD1-CZ2 3.53Å; A472-W477 PolarHBondContact O-NE1 2.93Å; I475-W477 HydrophobicContact CB-CD2 4.43Å; I475-W477 HydrophobicContact CB-CG 4.47Å; I475-W477 HydrophobicContact CB-CZ2 4.35Å; I475-W477 HydrophobicContact CG2-CD2 3.88Å; I475-W477 HydrophobicContact CG2-CE3 4.44Å; I475-W477 HydrophobicContact CG2-CG 4.01Å; I475-W477 HydrophobicContact CG2-CZ2 4.32Å; I475-W477 PolarHBondContact O-N 3.03Å; W477-K479 PolarHBondContact O-N 2.82Å; W477-L480 HydrophobicContact CE3-CD1 3.87Å; W477-L480 HydrophobicContact CZ3-CD1 4.14Å; W477-L480 PolarHBondContact O-N 2.97Å; W477-F481 HydrophobicContact CB-CE1 4.46Å; W477-F481 HydrophobicContact CB-CE2 4.4Å; W477-F481 HydrophobicContact CB-CZ 4.09Å; W477-F481 WeakPolarHBondContact O-CG 3.05Å; W477-F481 PolarHBondContact O-N 3.12Å; W477-T488 HydrophobicContact CB-CG2 3.51Å; W477-T488 HydrophobicContact CD2-CG2 4.12Å; W477-T488 HydrophobicContact CG-CG2 3.53Å; W477-I490 HydrophobicContact CZ2-CD1 4.43Å; W477-W516 HydrophobicContact CH2-CH2 4.04Å; W477-W516 AromaticContact CH2-CZ3 3.8Å; W477-W516 HydrophobicContact CH2-CZ3 3.8Å; W477-W516 HydrophobicContact CZ2-CZ3 4.19Å; W477-W516 HydrophobicContact CZ3-CH2 4.23Å; W477-W516 HydrophobicContact CZ3-CZ3 4.44Å
478	K	91.3	Very high	89.1	Confident	176 Å²	176	57.7 Å²	57.7	77%	0.765	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-62.2	-21.7	176.6	-70	-174.4	177.8	-178.8	0	114.2	N476	N476-K478 PolarHBondContact O-N 2.84Å
479	K	90.8	Very high	88.8	Confident	136 Å²	136	60 Å²	60	59%	0.591	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-82.8	-18.8	173.4	-74.5	-172.1	175.2	175.6	0	113.7	N476 W477 E513	N476-K479 PolarHBondContact O-N 3.49Å; W477-K479 PolarHBondContact O-N 2.82Å; K479-E513 VanDerWaalsContact CD-OE2 3.31Å; K479-E513 WeakPolarHBondContact CD-OE2 3.27Å; K479-E513 WeakPolarHBondContact CE-OE2 3.46Å; K479-E513 IonicContact NZ-OE1 3.05Å; K479-E513 PolarHBondContact NZ-OE1 3.47Å; K479-E513 IonicContact NZ-OE2 2.76Å; K479-E513 PolarHBondContact NZ-OE2 3.41Å
480	L	89.6	Confident	88.6	Confident	13 Å²	13	61.5 Å²	61.5	7%	0.068	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-25.1	175.3	-53.9	177.6	0	0	0	111.3	L453 K454 E455 I456 I475 W477 W516	L453-L480 WeakPolarHBondContact O-CD2 3.14Å; K454-L480 VanDerWaalsContact O-CD2 3.31Å; K454-L480 WeakPolarHBondContact O-CD2 3.46Å; E455-L480 CarbonylContact C-O 3.47Å; I456-L480 PolarHBondContact N-O 2.94Å; I475-L480 HydrophobicContact CG2-CD1 3.92Å; W477-L480 HydrophobicContact CE3-CD1 3.87Å; W477-L480 HydrophobicContact CZ3-CD1 4.14Å; W477-L480 PolarHBondContact O-N 2.97Å; L480-W516 HydrophobicContact CD1-CH2 3.71Å; L480-W516 HydrophobicContact CD1-CZ2 3.9Å
481	F	91.2	Very high	88.3	Confident	31 Å²	31	64.8 Å²	64.8	14%	0.136	35%	0.351	C	S	.	.	B	Isolated β-bridge	trans	-75.8	124.5	-175	-65.9	-17	0	0	0	113.3	I456 V461 W477 T483 Q486 T488	I456-F481 HydrophobicContact CB-CD1 4.33Å; V461-F481 HydrophobicContact CG2-CE1 3.62Å; V461-F481 HydrophobicContact CG2-CZ 3.98Å; W477-F481 HydrophobicContact CB-CE1 4.46Å; W477-F481 HydrophobicContact CB-CE2 4.4Å; W477-F481 HydrophobicContact CB-CZ 4.09Å; W477-F481 WeakPolarHBondContact O-CG 3.05Å; W477-F481 PolarHBondContact O-N 3.12Å; F481-T483 VanDerWaalsContact C-N 3.33Å; F481-Q486 HydrophobicContact CB-CB 4.11Å; F481-Q486 HydrophobicContact CD1-CB 4.08Å; F481-Q486 HydrophobicContact CD2-CB 3.46Å; F481-Q486 VanDerWaalsContact CD2-CB 3.46Å; F481-Q486 HydrophobicContact CE1-CB 4.34Å; F481-Q486 HydrophobicContact CE2-CB 3.75Å; F481-Q486 HydrophobicContact CG-CB 3.63Å; F481-Q486 HydrophobicContact CG-CG 4.42Å; F481-Q486 HydrophobicContact CZ-CB 4.17Å; F481-T488 HydrophobicContact CE2-CG2 4.09Å; F481-T488 HydrophobicContact CZ-CG2 3.68Å
482	G	76.3	Confident	88.1	Confident	52 Å²	52	68.8 Å²	68.8	54%	0.536	38%	0.381	S	S	.	.	S	Bend	trans	-74.1	-19.1	174	0	0	0	0	0	114.2	I456 S457	I456-G482 PolarHBondContact O-N 2.67Å; I456-G482 VanDerWaalsContact O-N 3.13Å; S457-G482 WeakPolarHBondContact O-CA 3.38Å
483	T	74.7	Confident	88.1	Confident	49 Å²	49	70.1 Å²	70.1	30%	0.301	39%	0.387	S	S	.	.	S	Bend	trans	-129.5	143.1	179.4	69.9	0	0	0	0	112.8	F481 S485 Q486	F481-T483 VanDerWaalsContact C-N 3.33Å; T483-S485 PolarHBondContact O-N 2.98Å; T483-S485 PolarHBondContact OG1-OG 2.99Å; T483-Q486 PolarHBondContact O-N 2.98Å; T483-Q486 PolarHBondContact O-OE1 3.29Å; T483-Q486 WeakPolarHBondContact OG1-CG 3.49Å; T483-Q486 PolarHBondContact OG1-OE1 3.22Å
484	S	76.9	Confident	88.2	Confident	139 Å²	139	69 Å²	69	97%	0.972	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-8.3	-178.9	55.1	0	0	0	0	114.7
485	S	76.8	Confident	87.9	Confident	81 Å²	81	68.8 Å²	68.8	57%	0.566	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	-20.7	177.8	30.7	0	0	0	0	114.6	T483	T483-S485 PolarHBondContact O-N 2.98Å; T483-S485 PolarHBondContact OG1-OG 2.99Å
486	Q	86.5	Confident	87.6	Confident	15 Å²	15	72.4 Å²	72.4	7%	0.07	40%	0.401	C	S	.	.			trans	-69.2	145.7	-173.1	-72.7	165.9	-93.5	0	0	113.3	I456 S457 D458 G459 D460 F481 T483	I456-Q486 PolarHBondContact O-NE2 3.42Å; S457-Q486 PolarHBondContact O-OE1 2.78Å; D458-Q486 VanDerWaalsContact C-NE2 3.26Å; G459-Q486 WeakPolarHBondContact O-CG 3.47Å; G459-Q486 PolarHBondContact O-NE2 3.45Å; D460-Q486 WeakPolarHBondContact OD1-CA 3.41Å; F481-Q486 HydrophobicContact CB-CB 4.11Å; F481-Q486 HydrophobicContact CD1-CB 4.08Å; F481-Q486 HydrophobicContact CD2-CB 3.46Å; F481-Q486 VanDerWaalsContact CD2-CB 3.46Å; F481-Q486 HydrophobicContact CE1-CB 4.34Å; F481-Q486 HydrophobicContact CE2-CB 3.75Å; F481-Q486 HydrophobicContact CG-CB 3.63Å; F481-Q486 HydrophobicContact CG-CG 4.42Å; F481-Q486 HydrophobicContact CZ-CB 4.17Å; T483-Q486 PolarHBondContact O-N 2.98Å; T483-Q486 PolarHBondContact O-OE1 3.29Å; T483-Q486 WeakPolarHBondContact OG1-CG 3.49Å; T483-Q486 PolarHBondContact OG1-OE1 3.22Å
487	K	88	Confident	87.4	Confident	144 Å²	144	75.7 Å²	75.7	63%	0.626	42%	0.419	S	S	*	.			trans	-132.6	151.7	-174.5	-65.1	166.5	-170	166.4	0	112.2	D460 V461	D460-K487 WeakPolarHBondContact CA-O 3.19Å; D460-K487 WeakPolarHBondContact CB-O 3.36Å; D460-K487 PolarHBondContact OD1-N 3.09Å; V461-K487 PolarHBondContact N-O 2.84Å
488	T	91.4	Very high	87.4	Confident	67 Å²	67	77.6 Å²	77.6	41%	0.411	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	125.6	173.9	51.8	0	0	0	0	110.8	V461 W477 F481	V461-T488 CarbonylContact O-C 3.49Å; V461-T488 WeakPolarHBondContact O-CA 3.48Å; W477-T488 HydrophobicContact CB-CG2 3.51Å; W477-T488 HydrophobicContact CD2-CG2 4.12Å; W477-T488 HydrophobicContact CG-CG2 3.53Å; F481-T488 HydrophobicContact CE2-CG2 4.09Å; F481-T488 HydrophobicContact CZ-CG2 3.68Å
489	K	88.4	Confident	87.4	Confident	105 Å²	105	69.4 Å²	69.4	46%	0.457	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	83.6	170.2	-173.2	174.3	178.1	-179.8	0	109.6	V461 I462 I463 I491	V461-K489 PolarHBondContact O-N 3.28Å; I462-K489 HydrophobicContact CB-CB 4.41Å; I462-K489 HydrophobicContact CD1-CD 4.05Å; I462-K489 HydrophobicContact CG1-CB 4.23Å; I462-K489 HydrophobicContact CG1-CD 4.37Å; I462-K489 HydrophobicContact CG1-CG 4.36Å; I463-K489 PolarHBondContact N-O 3.5Å; K489-I491 HydrophobicContact CG-CD1 4.28Å; K489-I491 HydrophobicContact CG-CG1 4.41Å
490	I	92.4	Very high	87.5	Confident	35 Å²	35	68.3 Å²	68.3	18%	0.179	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	102	-178.6	-51.9	179.9	0	0	0	108.2	I463 A472 N473 W477 N493	I463-I490 HydrophobicContact CB-CG1 4.24Å; I463-I490 HydrophobicContact CB-CG2 4.37Å; I463-I490 HydrophobicContact CD1-CD1 4.45Å; I463-I490 WeakPolarHBondContact O-CA 3.49Å; A472-I490 HydrophobicContact CB-CG2 4.36Å; N473-I490 WeakPolarHBondContact OD1-CG2 3.43Å; W477-I490 HydrophobicContact CZ2-CD1 4.43Å; I490-N493 WeakPolarHBondContact CG2-ND2 3Å
491	I	89.2	Confident	87.5	Confident	80 Å²	80	71.8 Å²	71.8	41%	0.41	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	158.9	-172.2	58.6	173.3	0	0	0	111.3	I463 S464 G465 K489 N493	I463-I491 PolarHBondContact O-N 3.33Å; S464-I491 VanDerWaalsContact CA-O 3.3Å; S464-I491 WeakPolarHBondContact CA-O 3.33Å; G465-I491 PolarHBondContact N-O 2.82Å; K489-I491 HydrophobicContact CG-CD1 4.28Å; K489-I491 HydrophobicContact CG-CG1 4.41Å; I491-N493 PolarHBondContact O-N 3.14Å; I491-N493 PolarHBondContact O-ND2 3.13Å
492	S	89.7	Confident	87.5	Confident	95 Å²	95	73.9 Å²	73.9	66%	0.664	44%	0.441	S	S	*	.	S	Bend	trans	54.8	27.5	174.1	-51.9	0	0	0	0	115.1	G465	G465-S492 CarbonylContact C-O 3.49Å; G465-S492 WeakPolarHBondContact CA-O 3.35Å; G465-S492 PolarHBondContact N-O 2.89Å
493	N	92.9	Very high	88.2	Confident	29 Å²	29	74 Å²	74	16%	0.155	44%	0.442	C	S	.	.	S	Bend	trans	-96.6	-171.5	168.7	-52	-53.9	0	0	0	109.3	I463 G465 N466 I490 I491 G495	I463-N493 PolarHBondContact O-ND2 3.28Å; G465-N493 PolarHBondContact N-OD1 2.75Å; N466-N493 WeakPolarHBondContact CB-OD1 3.05Å; N466-N493 PolarHBondContact N-OD1 3.14Å; N466-N493 PolarHBondContact ND2-OD1 2.97Å; N466-N493 WeakPolarHBondContact O-CA 3.2Å; I490-N493 WeakPolarHBondContact CG2-ND2 3Å; I491-N493 PolarHBondContact O-N 3.14Å; I491-N493 PolarHBondContact O-ND2 3.13Å; N493-G495 PolarHBondContact O-N 3.36Å
494	R	91.8	Very high	89.1	Confident	64 Å²	64	74.2 Å²	74.2	24%	0.242	44%	0.439	C	S	.	.			trans	-64.7	135.2	177.9	-161.8	164.7	172.9	-145	-8.7	110.8	K467 L469 E496 S498 T502	K467-R494 WeakPolarHBondContact O-CB 3.29Å; L469-R494 WeakPolarHBondContact O-CB 3.47Å; L469-R494 PolarHBondContact O-N 3.13Å; R494-E496 PolarHBondContact O-N 3.14Å; R494-S498 PolarHBondContact NE-OG 3.32Å; R494-S498 PolarHBondContact NH2-OG 3.01Å; R494-S498 VanDerWaalsContact NH2-OG 3.1Å; R494-T502 PolarHBondContact NH1-OG1 3.34Å; R494-T502 VanDerWaalsContact NH2-CG2 3.27Å; R494-T502 PolarHBondContact NH2-OG1 2.9Å
495	G	87.4	Confident	89.9	Confident	47 Å²	47	70.7 Å²	70.7	49%	0.485	41%	0.412	S	S	.	.			trans	-66.3	130	-177.7	0	0	0	0	0	112.2	N493 N497 S498 C499	N493-G495 PolarHBondContact O-N 3.36Å; G495-N497 VanDerWaalsContact C-N 3.27Å; G495-N497 PolarHBondContact O-N 2.84Å; G495-N497 VanDerWaalsContact O-N 3.16Å; G495-S498 WeakPolarHBondContact O-CA 3.46Å; G495-S498 VanDerWaalsContact O-CB 3.28Å; G495-S498 WeakPolarHBondContact O-CB 3.39Å; G495-S498 PolarHBondContact O-N 3.07Å; G495-C499 PolarHBondContact O-N 3.47Å; G495-C499 VanDerWaalsContact O-N 3.09Å
496	E	87.6	Confident	90.7	Very high	86 Å²	86	68.6 Å²	68.6	40%	0.402	40%	0.397	S	S	.	.	H	α-helix	trans	-53.2	-39.8	-173.4	-168.5	-174.5	129.3	0	0	113.8	N473 R494 S498 C499 K500	N473-E496 PolarHBondContact ND2-OE2 3.29Å; R494-E496 PolarHBondContact O-N 3.14Å; E496-S498 VanDerWaalsContact C-N 3.31Å; E496-S498 PolarHBondContact O-N 3.17Å; E496-C499 WeakPolarHBondContact O-CB 3.36Å; E496-C499 PolarHBondContact O-N 3.25Å; E496-K500 HydrophobicContact CG-CD 4.33Å; E496-K500 WeakPolarHBondContact O-CG 3.49Å; E496-K500 PolarHBondContact O-N 3.19Å; E496-K500 WeakPolarHBondContact OE1-CE 3.43Å; E496-K500 IonicContact OE1-NZ 3.6Å; E496-K500 PolarHBondContact OE1-NZ 3.17Å
497	N	89.1	Confident	91.2	Very high	131 Å²	131	71.2 Å²	71.2	70%	0.701	41%	0.409	S	S	*	.	H	α-helix	trans	-65.2	-32.6	176	-66.8	-12.7	0	0	0	112.6	G495 A501	G495-N497 VanDerWaalsContact C-N 3.27Å; G495-N497 PolarHBondContact O-N 2.84Å; G495-N497 VanDerWaalsContact O-N 3.16Å; N497-A501 VanDerWaalsContact O-CB 3.27Å; N497-A501 WeakPolarHBondContact O-CB 3.26Å; N497-A501 PolarHBondContact O-N 3.29Å
498	S	92.7	Very high	91.4	Very high	54 Å²	54	68.4 Å²	68.4	38%	0.378	41%	0.412	S	S	.	.	H	α-helix	trans	-71.6	-40.2	173.5	-176.1	0	0	0	0	111.4	R494 G495 E496 A501 T502	R494-S498 PolarHBondContact NE-OG 3.32Å; R494-S498 PolarHBondContact NH2-OG 3.01Å; R494-S498 VanDerWaalsContact NH2-OG 3.1Å; G495-S498 WeakPolarHBondContact O-CA 3.46Å; G495-S498 VanDerWaalsContact O-CB 3.28Å; G495-S498 WeakPolarHBondContact O-CB 3.39Å; G495-S498 PolarHBondContact O-N 3.07Å; E496-S498 VanDerWaalsContact C-N 3.31Å; E496-S498 PolarHBondContact O-N 3.17Å; S498-A501 PolarHBondContact O-N 2.94Å; S498-T502 PolarHBondContact O-N 2.9Å; S498-T502 PolarHBondContact O-OG1 3.4Å; S498-T502 VanDerWaalsContact O-OG1 3.05Å
499	C	93.1	Very high	91.6	Very high	4 Å²	4	66.9 Å²	66.9	3%	0.027	40%	0.402	C	S	.	.	H	α-helix	trans	-57.9	-53.6	174.4	-61.8	0	0	0	0	111	C470 G495 E496 A501 T502 G503 Q504	C470-C499 WeakPolarHBondContact CA-SG 3.4Å; C470-C499 HydrophobicContact CB-CB 3.58Å; C470-C499 WeakPolarHBondContact CB-SG 3.43Å; C470-C499 WeakPolarHBondContact SG-CB 3.29Å; C470-C499 CovalentContact SG-SG 2.03Å; C470-C499 PolarHBondContact SG-SG 2.94Å; G495-C499 PolarHBondContact O-N 3.47Å; G495-C499 VanDerWaalsContact O-N 3.09Å; E496-C499 WeakPolarHBondContact O-CB 3.36Å; E496-C499 PolarHBondContact O-N 3.25Å; C499-A501 PolarHBondContact O-N 2.88Å; C499-T502 CarbonylContact O-C 3.48Å; C499-T502 PolarHBondContact O-N 2.97Å; C499-T502 PolarHBondContact O-OG1 2.95Å; C499-G503 PolarHBondContact O-N 3.42Å; C499-Q504 HydrophobicContact CB-CB 4.35Å; C499-Q504 PolarHBondContact O-N 2.62Å
500	K	91.1	Very high	91.9	Very high	113 Å²	113	62.6 Å²	62.6	49%	0.491	38%	0.384	S	S	.	.	H	α-helix	trans	-55.1	-46.6	174.5	-75	169.5	171.2	170	0	112.3	E496 T502 G503 V505	E496-K500 HydrophobicContact CG-CD 4.33Å; E496-K500 WeakPolarHBondContact O-CG 3.49Å; E496-K500 PolarHBondContact O-N 3.19Å; E496-K500 WeakPolarHBondContact OE1-CE 3.43Å; E496-K500 IonicContact OE1-NZ 3.6Å; E496-K500 PolarHBondContact OE1-NZ 3.17Å; K500-T502 PolarHBondContact O-N 3.4Å; K500-G503 PolarHBondContact O-N 3.03Å; K500-G503 VanDerWaalsContact O-N 3.08Å; K500-V505 HydrophobicContact CB-CG1 4.37Å; K500-V505 HydrophobicContact CG-CG1 3.79Å
501	A	91.3	Very high	92	Very high	87 Å²	87	61.6 Å²	61.6	72%	0.719	38%	0.381	S	S	*	.	H	α-helix	trans	-63.5	-24.9	177.1	0	0	0	0	0	114	N497 S498 C499	N497-A501 VanDerWaalsContact O-CB 3.27Å; N497-A501 WeakPolarHBondContact O-CB 3.26Å; N497-A501 PolarHBondContact O-N 3.29Å; S498-A501 PolarHBondContact O-N 2.94Å; C499-A501 PolarHBondContact O-N 2.88Å
502	T	90.3	Very high	92.1	Very high	75 Å²	75	64 Å²	64	46%	0.46	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98	15.4	173.4	55.7	0	0	0	0	114.4	R494 S498 C499 K500 Q504	R494-T502 PolarHBondContact NH1-OG1 3.34Å; R494-T502 VanDerWaalsContact NH2-CG2 3.27Å; R494-T502 PolarHBondContact NH2-OG1 2.9Å; S498-T502 PolarHBondContact O-N 2.9Å; S498-T502 PolarHBondContact O-OG1 3.4Å; S498-T502 VanDerWaalsContact O-OG1 3.05Å; C499-T502 CarbonylContact O-C 3.48Å; C499-T502 PolarHBondContact O-N 2.97Å; C499-T502 PolarHBondContact O-OG1 2.95Å; K500-T502 PolarHBondContact O-N 3.4Å; T502-Q504 PolarHBondContact O-N 3.44Å
503	G	91.2	Very high	92.1	Very high	55 Å²	55	61.5 Å²	61.5	57%	0.567	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.7	11	-180	0	0	0	0	0	115	C499 K500 V505	C499-G503 PolarHBondContact O-N 3.42Å; K500-G503 PolarHBondContact O-N 3.03Å; K500-G503 VanDerWaalsContact O-N 3.08Å; G503-V505 VanDerWaalsContact C-N 3.29Å; G503-V505 PolarHBondContact O-N 3.34Å
504	Q	92.5	Very high	92.1	Very high	52 Å²	52	60.4 Å²	60.4	24%	0.243	38%	0.375	C	S	.	.			trans	-84.5	76.2	179.8	-67.2	-173.7	-9.9	0	0	109.4	C470 Y471 C499 T502	C470-Q504 HydrophobicContact CB-CB 4.2Å; C470-Q504 PolarHBondContact SG-OE1 2.82Å; Y471-Q504 WeakPolarHBondContact OH-CA 3.4Å; Y471-Q504 WeakPolarHBondContact OH-CB 3.4Å; C499-Q504 HydrophobicContact CB-CB 4.35Å; C499-Q504 PolarHBondContact O-N 2.62Å; T502-Q504 PolarHBondContact O-N 3.44Å
505	V	94.2	Very high	92.3	Very high	65 Å²	65	57.3 Å²	57.3	39%	0.394	36%	0.363	S	S	.	.	S	Bend	trans	-134.6	167.8	-177.3	-61.1	0	0	0	0	110.1	K500 G503	K500-V505 HydrophobicContact CB-CG1 4.37Å; K500-V505 HydrophobicContact CG-CG1 3.79Å; G503-V505 VanDerWaalsContact C-N 3.29Å; G503-V505 PolarHBondContact O-N 3.34Å
506	C	94.7	Very high	92.7	Very high	37 Å²	37	55.2 Å²	55.2	25%	0.25	34%	0.341	C	S	.	.			trans	-64.1	150.3	178.3	-58.3	0	0	0	0	112.7	C510 C515	C506-C510 HydrophobicContact CB-CB 4.19Å; C506-C515 WeakPolarHBondContact CA-SG 3.45Å; C506-C515 HydrophobicContact CB-CB 3.7Å; C506-C515 WeakPolarHBondContact CB-SG 3.29Å; C506-C515 WeakPolarHBondContact SG-CB 3.3Å; C506-C515 PolarHBondContact SG-N 3.36Å; C506-C515 VanDerWaalsContact SG-N 3.39Å; C506-C515 CovalentContact SG-SG 2.03Å; C506-C515 PolarHBondContact SG-SG 3.09Å
507	H	95.5	Very high	93	Very high	71 Å²	71	51.1 Å²	51.1	33%	0.329	32%	0.321	S	S	.	.			trans	-59.8	149.1	175.5	-162.9	-104.1	0	0	0	111.9	L509 C510 P518	H507-L509 PolarHBondContact ND1-N 3.03Å; H507-L509 PolarHBondContact O-N 2.94Å; H507-C510 WeakPolarHBondContact O-CB 3.5Å; H507-C510 PolarHBondContact O-N 2.77Å; H507-P518 WeakPolarHBondContact CB-O 3.43Å
508	A	93.9	Very high	93.3	Very high	84 Å²	84	47.5 Å²	47.5	69%	0.694	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-4.6	-179.4	0	0	0	0	0	114.9	Q527	A508-Q527 PolarHBondContact O-OE1 3.05Å
509	L	95	Very high	93.3	Very high	36 Å²	36	48.8 Å²	48.8	19%	0.188	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102	-4	174.7	-61.6	173	0	0	0	113.1	H507 Q527 C535 D537	H507-L509 PolarHBondContact ND1-N 3.03Å; H507-L509 PolarHBondContact O-N 2.94Å; L509-Q527 PolarHBondContact O-N 3.17Å; L509-C535 HydrophobicContact CB-CB 4.02Å; L509-C535 WeakPolarHBondContact CD1-O 3.25Å; L509-D537 HydrophobicContact CD2-CB 4.41Å
510	C	94.6	Very high	93.4	Very high	14 Å²	14	49.6 Å²	49.6	10%	0.095	31%	0.31	C	S	.	.	B	Isolated β-bridge	trans	-76.8	145	175.1	-58.2	0	0	0	0	111	C506 H507 C523	C506-C510 HydrophobicContact CB-CB 4.19Å; H507-C510 WeakPolarHBondContact O-CB 3.5Å; H507-C510 PolarHBondContact O-N 2.77Å; C510-C523 WeakPolarHBondContact CA-SG 3.2Å; C510-C523 HydrophobicContact CB-CB 3.62Å; C510-C523 WeakPolarHBondContact CB-SG 3.05Å; C510-C523 WeakPolarHBondContact SG-CA 3.46Å; C510-C523 WeakPolarHBondContact SG-CB 2.91Å; C510-C523 CovalentContact SG-SG 2.04Å; C510-C523 PolarHBondContact SG-SG 2.81Å
511	S	93.3	Very high	93.5	Very high	15 Å²	15	47.6 Å²	47.6	11%	0.105	30%	0.299	C	S	.	.			trans	-70.1	169.6	170.1	79.4	0	0	0	0	112	E513 G514 S525	S511-E513 PolarHBondContact O-N 2.85Å; S511-E513 WeakPolarHBondContact OG-CB 3.41Å; S511-E513 WeakPolarHBondContact OG-CG 3.41Å; S511-E513 PolarHBondContact OG-N 2.75Å; S511-G514 PolarHBondContact O-N 2.75Å; S511-S525 WeakPolarHBondContact CB-O 3.12Å; S511-S525 WeakPolarHBondContact CB-OG 3.46Å; S511-S525 PolarHBondContact N-O 2.84Å; S511-S525 PolarHBondContact OG-O 2.93Å; S511-S525 PolarHBondContact OG-OG 2.91Å
512	P	92.1	Very high	93.6	Very high	131 Å²	131	43.8 Å²	43.8	85%	0.851	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-1	173.3	-24	35.7	0	0	0	116.1	G514	P512-G514 VanDerWaalsContact C-N 3.28Å
513	E	90.2	Very high	93.8	Very high	42 Å²	42	40.9 Å²	40.9	20%	0.196	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-9.2	179.4	-54.7	-59.7	158.9	0	0	113.9	N476 K479 S511 V524	N476-E513 WeakPolarHBondContact CB-OE2 3.39Å; N476-E513 PolarHBondContact N-O 3.34Å; N476-E513 VanDerWaalsContact N-O 3.07Å; N476-E513 PolarHBondContact ND2-OE2 3.18Å; K479-E513 VanDerWaalsContact CD-OE2 3.31Å; K479-E513 WeakPolarHBondContact CD-OE2 3.27Å; K479-E513 WeakPolarHBondContact CE-OE2 3.46Å; K479-E513 IonicContact NZ-OE1 3.05Å; K479-E513 PolarHBondContact NZ-OE1 3.47Å; K479-E513 IonicContact NZ-OE2 2.76Å; K479-E513 PolarHBondContact NZ-OE2 3.41Å; S511-E513 PolarHBondContact O-N 2.85Å; S511-E513 WeakPolarHBondContact OG-CB 3.41Å; S511-E513 WeakPolarHBondContact OG-CG 3.41Å; S511-E513 PolarHBondContact OG-N 2.75Å; E513-V524 HydrophobicContact CB-CB 4.09Å; E513-V524 HydrophobicContact CB-CG1 3.91Å
514	G	93.4	Very high	93.8	Very high	5 Å²	5	40.9 Å²	40.9	5%	0.052	24%	0.239	C	C	.	.			trans	102.3	-168.6	174.6	0	0	0	0	0	114.8	T474 S511 P512 V524	T474-G514 WeakPolarHBondContact O-CA 3.25Å; S511-G514 PolarHBondContact O-N 2.75Å; P512-G514 VanDerWaalsContact C-N 3.28Å; G514-V524 WeakPolarHBondContact O-CG2 3.36Å; G514-V524 PolarHBondContact O-N 2.89Å
515	C	95.2	Very high	93.7	Very high	0 Å²	0	41 Å²	41	0%	0	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-151.7	152.6	-175.8	61.6	0	0	0	0	112.3	T474 I475 C506 G517 D522	T474-C515 PolarHBondContact OG1-N 2.89Å; T474-C515 VanDerWaalsContact OG1-N 3.09Å; T474-C515 PolarHBondContact OG1-O 3.42Å; T474-C515 VanDerWaalsContact OG1-O 3.09Å; I475-C515 VanDerWaalsContact CD1-C 3.47Å; I475-C515 WeakPolarHBondContact CD1-O 3.29Å; C506-C515 WeakPolarHBondContact CA-SG 3.45Å; C506-C515 HydrophobicContact CB-CB 3.7Å; C506-C515 WeakPolarHBondContact CB-SG 3.29Å; C506-C515 WeakPolarHBondContact SG-CB 3.3Å; C506-C515 PolarHBondContact SG-N 3.36Å; C506-C515 VanDerWaalsContact SG-N 3.39Å; C506-C515 CovalentContact SG-SG 2.03Å; C506-C515 PolarHBondContact SG-SG 3.09Å; C515-G517 VanDerWaalsContact C-N 3.35Å; C515-G517 WeakPolarHBondContact CB-O 3.46Å; C515-G517 PolarHBondContact SG-O 3.08Å; C515-D522 CarbonylContact C-O 3.47Å; C515-D522 VanDerWaalsContact CA-O 3.29Å; C515-D522 WeakPolarHBondContact CA-O 3.35Å
516	W	95.4	Very high	93.6	Very high	3 Å²	3	39.7 Å²	39.7	1%	0.011	24%	0.239	C	C	.	.	S	Bend	trans	-86.3	-8.8	178.1	-60.5	103	0	0	0	113.6	S447 L448 G449 L450 L453 I475 W477 L480 D522	S447-W516 WeakPolarHBondContact CB-O 3.47Å; L448-W516 HydrophobicContact CB-CE3 3.98Å; L448-W516 HydrophobicContact CD1-CE3 3.85Å; L448-W516 HydrophobicContact CD1-CZ3 3.82Å; L448-W516 PolarHBondContact N-O 3.31Å; G449-W516 PolarHBondContact N-O 3.4Å; G449-W516 VanDerWaalsContact N-O 3.15Å; L450-W516 HydrophobicContact CB-CD2 4.25Å; L450-W516 HydrophobicContact CB-CE3 3.99Å; L450-W516 HydrophobicContact CB-CZ3 4.2Å; L453-W516 HydrophobicContact CB-CH2 4.4Å; L453-W516 HydrophobicContact CB-CZ2 4.07Å; L453-W516 HydrophobicContact CD2-CH2 3.96Å; L453-W516 HydrophobicContact CD2-CZ2 4.44Å; I475-W516 HydrophobicContact CD1-CD2 3.62Å; I475-W516 HydrophobicContact CD1-CE3 3.81Å; I475-W516 HydrophobicContact CD1-CG 4.1Å; I475-W516 HydrophobicContact CD1-CH2 4.22Å; I475-W516 HydrophobicContact CD1-CZ2 4.04Å; I475-W516 HydrophobicContact CD1-CZ3 4.11Å; I475-W516 HydrophobicContact CG1-CD2 4.33Å; I475-W516 HydrophobicContact CG1-CE3 4Å; I475-W516 HydrophobicContact CG1-CH2 4.28Å; I475-W516 HydrophobicContact CG1-CZ3 3.97Å; I475-W516 HydrophobicContact CG2-CH2 4.03Å; I475-W516 HydrophobicContact CG2-CZ2 4.33Å; I475-W516 HydrophobicContact CG2-CZ3 4.47Å; W477-W516 HydrophobicContact CH2-CH2 4.04Å; W477-W516 AromaticContact CH2-CZ3 3.8Å; W477-W516 HydrophobicContact CH2-CZ3 3.8Å; W477-W516 HydrophobicContact CZ2-CZ3 4.19Å; W477-W516 HydrophobicContact CZ3-CH2 4.23Å; W477-W516 HydrophobicContact CZ3-CZ3 4.44Å; L480-W516 HydrophobicContact CD1-CH2 3.71Å; L480-W516 HydrophobicContact CD1-CZ2 3.9Å; W516-D522 HydrophobicContact CB-CB 4.38Å; W516-D522 PolarHBondContact N-O 2.99Å
517	G	94.9	Very high	93.4	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	26%	0.255	C	S	.	.	S	Bend	trans	-179.3	-175.3	-173.5	0	0	0	0	0	110.9	C515 D522	C515-G517 VanDerWaalsContact C-N 3.35Å; C515-G517 WeakPolarHBondContact CB-O 3.46Å; C515-G517 PolarHBondContact SG-O 3.08Å; G517-D522 VanDerWaalsContact CA-OD2 3.28Å; G517-D522 WeakPolarHBondContact CA-OD2 3.45Å
518	P	94.1	Very high	93.1	Very high	54 Å²	54	44.7 Å²	44.7	35%	0.351	26%	0.261	S	S	.	.	S	Bend	trans	-81.5	-14.2	-172.9	31.6	-34.1	0	0	0	115	Y471 H507	Y471-P518 HydrophobicContact CE1-CB 4.17Å; H507-P518 WeakPolarHBondContact CB-O 3.43Å
519	E	94.1	Very high	93.1	Very high	82 Å²	82	41.7 Å²	41.7	38%	0.383	23%	0.234	S	C	.	.	S	Bend	trans	-80.6	156.2	-169.2	-69	-80.2	116.2	0	0	113	R521 D522	E519-R521 HydrophobicContact CB-CG 3.73Å; E519-R521 HydrophobicContact CG-CG 4.45Å; E519-R521 PolarHBondContact O-N 2.68Å; E519-R521 VanDerWaalsContact O-N 3.1Å; E519-R521 IonicContact OE2-CZ 3.47Å; E519-R521 VanDerWaalsContact OE2-CZ 3.22Å; E519-R521 IonicContact OE2-NE 3.62Å; E519-R521 PolarHBondContact OE2-NE 2.81Å; E519-R521 IonicContact OE2-NH2 3.86Å; E519-R521 PolarHBondContact OE2-NH2 2.93Å; E519-D522 HydrophobicContact CB-CB 4.4Å; E519-D522 PolarHBondContact N-OD2 2.98Å; E519-D522 WeakPolarHBondContact O-CB 3.35Å; E519-D522 PolarHBondContact O-N 3.2Å
520	P	93.6	Very high	93	Very high	21 Å²	21	40.9 Å²	40.9	14%	0.136	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-16.2	170.4	-12.2	24.7	0	0	0	113.4	E534 C535	P520-E534 HydrophobicContact CB-CG 4.03Å; P520-C535 WeakPolarHBondContact CB-O 3.23Å; P520-C535 WeakPolarHBondContact O-CB 3.3Å; P520-C535 PolarHBondContact O-N 2.95Å
521	R	93.4	Very high	92.8	Very high	70 Å²	70	44.2 Å²	44.2	26%	0.264	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-4.4	173.8	81.9	-161.4	72.6	-90.6	-9.7	114.5	R451 E519 R533 E534	R451-R521 WeakPolarHBondContact CD-O 3.36Å; E519-R521 HydrophobicContact CB-CG 3.73Å; E519-R521 HydrophobicContact CG-CG 4.45Å; E519-R521 PolarHBondContact O-N 2.68Å; E519-R521 VanDerWaalsContact O-N 3.1Å; E519-R521 IonicContact OE2-CZ 3.47Å; E519-R521 VanDerWaalsContact OE2-CZ 3.22Å; E519-R521 IonicContact OE2-NE 3.62Å; E519-R521 PolarHBondContact OE2-NE 2.81Å; E519-R521 IonicContact OE2-NH2 3.86Å; E519-R521 PolarHBondContact OE2-NH2 2.93Å; R521-R533 WeakPolarHBondContact CA-O 3.07Å; R521-E534 HydrophobicContact CB-CB 4.39Å; R521-E534 HydrophobicContact CB-CG 4.28Å; R521-E534 IonicContact CZ-OE1 3.63Å; R521-E534 VanDerWaalsContact CZ-OE1 3.25Å; R521-E534 IonicContact CZ-OE2 3.51Å; R521-E534 IonicContact NH1-OE1 3.98Å; R521-E534 PolarHBondContact NH1-OE1 2.96Å; R521-E534 VanDerWaalsContact NH1-OE1 3.16Å; R521-E534 IonicContact NH1-OE2 2.64Å; R521-E534 PolarHBondContact NH1-OE2 3.32Å; R521-E534 IonicContact NH2-OE1 3.22Å; R521-E534 PolarHBondContact NH2-OE1 3.47Å; R521-E534 IonicContact NH2-OE2 3.82Å
522	D	94.8	Very high	92.5	Very high	7 Å²	7	46 Å²	46	4%	0.037	26%	0.263	C	S	.	.	S	Bend	trans	-108.8	-2.4	-176	-65.5	-22.1	0	0	0	113.3	R451 C515 W516 G517 E519	R451-D522 IonicContact CZ-OD1 3.74Å; R451-D522 IonicContact NH1-OD1 3.25Å; R451-D522 PolarHBondContact NH1-OD1 2.92Å; C515-D522 CarbonylContact C-O 3.47Å; C515-D522 VanDerWaalsContact CA-O 3.29Å; C515-D522 WeakPolarHBondContact CA-O 3.35Å; W516-D522 HydrophobicContact CB-CB 4.38Å; W516-D522 PolarHBondContact N-O 2.99Å; G517-D522 VanDerWaalsContact CA-OD2 3.28Å; G517-D522 WeakPolarHBondContact CA-OD2 3.45Å; E519-D522 HydrophobicContact CB-CB 4.4Å; E519-D522 PolarHBondContact N-OD2 2.98Å; E519-D522 WeakPolarHBondContact O-CB 3.35Å; E519-D522 PolarHBondContact O-N 3.2Å
523	C	93.6	Very high	92.2	Very high	14 Å²	14	48.1 Å²	48.1	10%	0.095	25%	0.254	C	S	.	.	B	Isolated β-bridge	trans	-61.9	140.7	175.8	-54.9	0	0	0	0	111.6	C510 S525	C510-C523 WeakPolarHBondContact CA-SG 3.2Å; C510-C523 HydrophobicContact CB-CB 3.62Å; C510-C523 WeakPolarHBondContact CB-SG 3.05Å; C510-C523 WeakPolarHBondContact SG-CA 3.46Å; C510-C523 WeakPolarHBondContact SG-CB 2.91Å; C510-C523 CovalentContact SG-SG 2.04Å; C510-C523 PolarHBondContact SG-SG 2.81Å; C523-S525 VanDerWaalsContact C-N 3.3Å
524	V	91.5	Very high	92.3	Very high	56 Å²	56	49 Å²	49	34%	0.339	26%	0.258	S	S	.	.	S	Bend	trans	-66.3	-36	172.8	172.8	0	0	0	0	111.2	I475 E513 G514	I475-V524 HydrophobicContact CD1-CG2 3.36Å; E513-V524 HydrophobicContact CB-CB 4.09Å; E513-V524 HydrophobicContact CB-CG1 3.91Å; G514-V524 WeakPolarHBondContact O-CG2 3.36Å; G514-V524 PolarHBondContact O-N 2.89Å
525	S	90.8	Very high	92.3	Very high	53 Å²	53	49.1 Å²	49.1	37%	0.371	26%	0.258	S	S	.	.	S	Bend	trans	-154.4	157.9	165.8	56.3	0	0	0	0	110.1	S511 C523	S511-S525 WeakPolarHBondContact CB-O 3.12Å; S511-S525 WeakPolarHBondContact CB-OG 3.46Å; S511-S525 PolarHBondContact N-O 2.84Å; S511-S525 PolarHBondContact OG-O 2.93Å; S511-S525 PolarHBondContact OG-OG 2.91Å; C523-S525 VanDerWaalsContact C-N 3.3Å
526	C	92.4	Very high	92.3	Very high	39 Å²	39	49.9 Å²	49.9	26%	0.264	26%	0.263	S	S	.	.	B	Isolated β-bridge	trans	-82.6	152.1	-179	-51.9	0	0	0	0	111.8	C535	C526-C535 WeakPolarHBondContact CA-SG 3.48Å; C526-C535 HydrophobicContact CB-CB 3.65Å; C526-C535 WeakPolarHBondContact CB-SG 3.3Å; C526-C535 WeakPolarHBondContact SG-CA 3.41Å; C526-C535 WeakPolarHBondContact SG-CB 3.13Å; C526-C535 CovalentContact SG-SG 2.03Å; C526-C535 PolarHBondContact SG-SG 2.85Å
527	Q	90.2	Very high	92	Very high	125 Å²	125	54.5 Å²	54.5	58%	0.584	29%	0.287	S	S	*	.	S	Bend	trans	-74	-38.2	173.4	-173.7	178.2	5.8	0	0	112.5	A508 L509	A508-Q527 PolarHBondContact O-OE1 3.05Å; L509-Q527 PolarHBondContact O-N 3.17Å
528	N	88.9	Confident	91.9	Very high	87 Å²	87	60.1 Å²	60.1	47%	0.465	31%	0.312	S	S	.	.	S	Bend	trans	-113.5	-79.8	-177.1	-67.7	1.7	0	0	0	111.5	D537	N528-D537 PolarHBondContact ND2-O 3.38Å
529	V	93.1	Very high	91.8	Very high	22 Å²	22	58.1 Å²	58.1	13%	0.133	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	159.3	-171.8	-70.7	0	0	0	0	111.5	V536 V550 S553	V529-V536 HydrophobicContact CG2-CG2 3.85Å; V529-V536 PolarHBondContact O-N 2.88Å; V529-V550 HydrophobicContact CG1-CG1 4.47Å; V529-S553 WeakPolarHBondContact CA-O 3.47Å; V529-S553 VanDerWaalsContact CB-O 3.32Å; V529-S553 WeakPolarHBondContact CB-O 3.48Å; V529-S553 WeakPolarHBondContact CG1-O 3.3Å
530	S	92.5	Very high	91.8	Very high	18 Å²	18	55.4 Å²	55.4	13%	0.126	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	140.1	177.3	56.2	0	0	0	0	112.2	E534 S553 E554 C555	S530-E534 CarbonylContact C-O 3.49Å; S530-E534 WeakPolarHBondContact CA-O 3.24Å; S530-S553 PolarHBondContact N-O 2.85Å; S530-E554 WeakPolarHBondContact O-CA 3.15Å; S530-C555 WeakPolarHBondContact O-CB 3.49Å; S530-C555 PolarHBondContact O-N 3.13Å; S530-C555 PolarHBondContact O-SG 2.87Å
531	R	91.3	Very high	91.7	Very high	85 Å²	85	57.1 Å²	57.1	32%	0.321	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	85.4	164.9	-174.4	170.9	-73	116.3	4.3	108.2	R533 E534 V536 K538 N540 E548 C555	R531-R533 PolarHBondContact O-N 2.64Å; R531-R533 VanDerWaalsContact O-N 3.13Å; R531-E534 PolarHBondContact N-O 3.19Å; R531-E534 PolarHBondContact O-N 3.11Å; R531-V536 HydrophobicContact CB-CG1 3.98Å; R531-V536 HydrophobicContact CB-CG2 4.29Å; R531-K538 PolarHBondContact NH2-O 3.31Å; R531-N540 PolarHBondContact NH2-OD1 2.98Å; R531-E548 IonicContact CZ-OE1 3.5Å; R531-E548 IonicContact CZ-OE2 3.7Å; R531-E548 IonicContact NE-OE1 3.44Å; R531-E548 PolarHBondContact NE-OE1 2.98Å; R531-E548 IonicContact NE-OE2 3.64Å; R531-E548 PolarHBondContact NE-OE2 2.92Å; R531-E548 IonicContact NH2-OE1 2.71Å; R531-E548 IonicContact NH2-OE2 2.81Å; R531-E548 PolarHBondContact NH2-OE2 3.23Å; R531-C555 HydrophobicContact CB-CB 4.42Å
532	G	87.3	Confident	91.5	Very high	53 Å²	53	57.5 Å²	57.5	55%	0.546	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.7	-110.1	-167.7	0	0	0	0	0	111
533	R	85.9	Confident	91.1	Very high	174 Å²	174	62.8 Å²	62.8	66%	0.657	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	8.7	-177.2	69.6	177.6	173.1	-147.9	-4	115.5	R521 R531	R521-R533 WeakPolarHBondContact CA-O 3.07Å; R531-R533 PolarHBondContact O-N 2.64Å; R531-R533 VanDerWaalsContact O-N 3.13Å
534	E	92.1	Very high	90.8	Very high	61 Å²	61	64 Å²	64	29%	0.285	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	125.8	-175.6	-170.1	159	-168.9	0	0	110.4	P520 R521 S530 R531	P520-E534 HydrophobicContact CB-CG 4.03Å; R521-E534 HydrophobicContact CB-CB 4.39Å; R521-E534 HydrophobicContact CB-CG 4.28Å; R521-E534 IonicContact CZ-OE1 3.63Å; R521-E534 VanDerWaalsContact CZ-OE1 3.25Å; R521-E534 IonicContact CZ-OE2 3.51Å; R521-E534 IonicContact NH1-OE1 3.98Å; R521-E534 PolarHBondContact NH1-OE1 2.96Å; R521-E534 VanDerWaalsContact NH1-OE1 3.16Å; R521-E534 IonicContact NH1-OE2 2.64Å; R521-E534 PolarHBondContact NH1-OE2 3.32Å; R521-E534 IonicContact NH2-OE1 3.22Å; R521-E534 PolarHBondContact NH2-OE1 3.47Å; R521-E534 IonicContact NH2-OE2 3.82Å; S530-E534 CarbonylContact C-O 3.49Å; S530-E534 WeakPolarHBondContact CA-O 3.24Å; R531-E534 PolarHBondContact N-O 3.19Å; R531-E534 PolarHBondContact O-N 3.11Å
535	C	93.9	Very high	90.4	Very high	7 Å²	7	67.5 Å²	67.5	5%	0.047	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	131	177.8	-60.5	0	0	0	0	110.5	L509 P520 C526	L509-C535 HydrophobicContact CB-CB 4.02Å; L509-C535 WeakPolarHBondContact CD1-O 3.25Å; P520-C535 WeakPolarHBondContact CB-O 3.23Å; P520-C535 WeakPolarHBondContact O-CB 3.3Å; P520-C535 PolarHBondContact O-N 2.95Å; C526-C535 WeakPolarHBondContact CA-SG 3.48Å; C526-C535 HydrophobicContact CB-CB 3.65Å; C526-C535 WeakPolarHBondContact CB-SG 3.3Å; C526-C535 WeakPolarHBondContact SG-CA 3.41Å; C526-C535 WeakPolarHBondContact SG-CB 3.13Å; C526-C535 CovalentContact SG-SG 2.03Å; C526-C535 PolarHBondContact SG-SG 2.85Å
536	V	93.6	Very high	90.5	Very high	17 Å²	17	67.7 Å²	67.7	10%	0.103	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	159.7	-177	-58.3	0	0	0	0	110.9	V529 R531 K538	V529-V536 HydrophobicContact CG2-CG2 3.85Å; V529-V536 PolarHBondContact O-N 2.88Å; R531-V536 HydrophobicContact CB-CG1 3.98Å; R531-V536 HydrophobicContact CB-CG2 4.29Å; V536-K538 WeakPolarHBondContact CG2-O 3.23Å
537	D	90.9	Very high	90.5	Very high	99 Å²	99	67 Å²	67	53%	0.529	35%	0.345	S	S	.	.	S	Bend	trans	-70.4	-42.2	178.6	65.2	-42	0	0	0	111.7	L509 N528	L509-D537 HydrophobicContact CD2-CB 4.41Å; N528-D537 PolarHBondContact ND2-O 3.38Å
538	K	91.4	Very high	90.7	Very high	119 Å²	119	61.2 Å²	61.2	52%	0.517	32%	0.318	S	S	.	.			trans	-149.7	154.9	-179.8	64.9	-176.5	175.6	167.4	0	113	R531 V536	R531-K538 PolarHBondContact NH2-O 3.31Å; V536-K538 WeakPolarHBondContact CG2-O 3.23Å
539	C	92.4	Very high	91	Very high	12 Å²	12	57.9 Å²	57.9	8%	0.081	30%	0.299	C	S	.	.			trans	-85.5	159.3	168	-51.8	0	0	0	0	111.5	I541 E548 V550 C555	C539-I541 HydrophobicContact CB-CD1 4.4Å; C539-I541 HydrophobicContact CB-CG1 4.03Å; C539-I541 PolarHBondContact O-N 2.87Å; C539-E548 HydrophobicContact CB-CB 4.4Å; C539-V550 HydrophobicContact CB-CG2 4.1Å; C539-C555 WeakPolarHBondContact CA-SG 3.47Å; C539-C555 HydrophobicContact CB-CB 3.63Å; C539-C555 WeakPolarHBondContact CB-SG 3.14Å; C539-C555 WeakPolarHBondContact SG-CA 3.39Å; C539-C555 WeakPolarHBondContact SG-CB 3.49Å; C539-C555 CovalentContact SG-SG 2.03Å; C539-C555 PolarHBondContact SG-SG 2.79Å
540	N	93.7	Very high	91	Very high	25 Å²	25	60 Å²	60	13%	0.134	31%	0.312	C	S	.	.	S	Bend	trans	-80.4	58.1	-176.2	-65.9	-9.3	0	0	0	112.7	R531 E543 E545 P546 R547 E548	R531-N540 PolarHBondContact NH2-OD1 2.98Å; N540-E543 CarbonylContact C-O 3.28Å; N540-E543 VanDerWaalsContact C-O 3.28Å; N540-E543 WeakPolarHBondContact CA-O 3.02Å; N540-E543 WeakPolarHBondContact CB-O 3.44Å; N540-E545 PolarHBondContact ND2-O 3.28Å; N540-P546 WeakPolarHBondContact CB-O 3.33Å; N540-P546 PolarHBondContact ND2-O 2.68Å; N540-R547 VanDerWaalsContact O-CD 3.28Å; N540-R547 WeakPolarHBondContact O-CD 3.13Å; N540-E548 HydrophobicContact CB-CB 4.2Å; N540-E548 HydrophobicContact CB-CG 4.12Å; N540-E548 WeakPolarHBondContact CB-OE2 3.47Å; N540-E548 PolarHBondContact N-OE2 3.35Å; N540-E548 PolarHBondContact O-N 2.71Å
541	I	91.3	Very high	91	Very high	56 Å²	56	62.4 Å²	62.4	29%	0.287	32%	0.322	S	S	.	.	S	Bend	trans	-77.1	-62	-171.6	-56.5	170.5	0	0	0	111	C539 R547 E548 V550 I569	C539-I541 HydrophobicContact CB-CD1 4.4Å; C539-I541 HydrophobicContact CB-CG1 4.03Å; C539-I541 PolarHBondContact O-N 2.87Å; I541-R547 PolarHBondContact O-NH1 3.45Å; I541-E548 WeakPolarHBondContact CA-O 3.35Å; I541-V550 HydrophobicContact CD1-CG2 3.72Å; I541-V550 HydrophobicContact CG1-CG2 4.31Å; I541-I569 HydrophobicContact CG2-CB 4.36Å; I541-I569 HydrophobicContact CG2-CG2 3.71Å
542	L	90.6	Very high	90.9	Very high	78 Å²	78	65.7 Å²	65.7	41%	0.408	35%	0.346	S	S	.	.	S	Bend	trans	-94.7	-21.6	-175.9	-53.2	179.1	0	0	0	113.1	R547 N568 I569	L542-R547 VanDerWaalsContact O-CZ 3.31Å; L542-R547 PolarHBondContact O-NH1 2.92Å; L542-R547 VanDerWaalsContact O-NH1 3.16Å; L542-R547 PolarHBondContact O-NH2 3.29Å; L542-N568 VanDerWaalsContact CD2-C 3.49Å; L542-I569 HydrophobicContact CD2-CG2 4.28Å
543	E	86.8	Confident	91	Very high	119 Å²	119	66.4 Å²	66.4	56%	0.556	34%	0.342	S	S	*	.	S	Bend	trans	-150.4	161.1	-172.3	-62	-179.1	148.8	0	0	109	N540	N540-E543 CarbonylContact C-O 3.28Å; N540-E543 VanDerWaalsContact C-O 3.28Å; N540-E543 WeakPolarHBondContact CA-O 3.02Å; N540-E543 WeakPolarHBondContact CB-O 3.44Å
544	G	85.8	Confident	91.3	Very high	38 Å²	38	62.4 Å²	62.4	39%	0.392	33%	0.331	S	S	.	.	S	Bend	trans	92.8	161	179.4	0	0	0	0	0	113.5	R547	G544-R547 WeakPolarHBondContact O-CD 3.41Å; G544-R547 PolarHBondContact O-NE 3.36Å
545	E	84.4	Confident	91.4	Very high	131 Å²	131	60 Å²	60	61%	0.612	32%	0.32	S	S	*	.	S	Bend	trans	-134.4	139.5	-179.8	-73	-59.4	154.6	0	0	110.3	N540	N540-E545 PolarHBondContact ND2-O 3.28Å
546	P	91.3	Very high	91.4	Very high	57 Å²	57	60.9 Å²	60.9	37%	0.37	32%	0.324	S	S	.	.	S	Bend	cis	-64.6	157.7	-10.1	30.1	-35.2	0	0	0	111.5	N540 Q557	N540-P546 WeakPolarHBondContact CB-O 3.33Å; N540-P546 PolarHBondContact ND2-O 2.68Å; P546-Q557 HydrophobicContact CB-CG 4.34Å; P546-Q557 HydrophobicContact CG-CG 3.87Å
547	R	93.1	Very high	91.4	Very high	24 Å²	24	65.7 Å²	65.7	9%	0.091	35%	0.346	C	S	.	.			trans	-71.7	144.9	174.9	-74	-66.7	-170.1	112.2	10.3	112.9	N540 I541 L542 G544 Q557 C558 P564 Q565 N568 T570	N540-R547 VanDerWaalsContact O-CD 3.28Å; N540-R547 WeakPolarHBondContact O-CD 3.13Å; I541-R547 PolarHBondContact O-NH1 3.45Å; L542-R547 VanDerWaalsContact O-CZ 3.31Å; L542-R547 PolarHBondContact O-NH1 2.92Å; L542-R547 VanDerWaalsContact O-NH1 3.16Å; L542-R547 PolarHBondContact O-NH2 3.29Å; G544-R547 WeakPolarHBondContact O-CD 3.41Å; G544-R547 PolarHBondContact O-NE 3.36Å; R547-Q557 WeakPolarHBondContact O-CA 3.41Å; R547-C558 HydrophobicContact CB-CB 4.47Å; R547-C558 PolarHBondContact O-N 3.22Å; R547-P564 HydrophobicContact CG-CB 4.01Å; R547-P564 HydrophobicContact CG-CG 4.28Å; R547-Q565 VanDerWaalsContact CZ-O 3.27Å; R547-Q565 PolarHBondContact NH1-O 3.42Å; R547-Q565 PolarHBondContact NH2-O 3.01Å; R547-N568 PolarHBondContact NH1-O 3.07Å; R547-T570 HydrophobicContact CB-CG2 3.96Å; R547-T570 HydrophobicContact CG-CG2 4.2Å; R547-T570 WeakPolarHBondContact CG-OG1 3.32Å; R547-T570 PolarHBondContact NH1-OG1 2.81Å; R547-T570 VanDerWaalsContact NH1-OG1 3.1Å
548	E	94.8	Very high	91.6	Very high	3 Å²	3	61.8 Å²	61.8	1%	0.014	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	154.7	-170.3	-66.9	167.5	158.8	0	0	112.6	R531 C539 N540 I541 C555 I556 Q557	R531-E548 IonicContact CZ-OE1 3.5Å; R531-E548 IonicContact CZ-OE2 3.7Å; R531-E548 IonicContact NE-OE1 3.44Å; R531-E548 PolarHBondContact NE-OE1 2.98Å; R531-E548 IonicContact NE-OE2 3.64Å; R531-E548 PolarHBondContact NE-OE2 2.92Å; R531-E548 IonicContact NH2-OE1 2.71Å; R531-E548 IonicContact NH2-OE2 2.81Å; R531-E548 PolarHBondContact NH2-OE2 3.23Å; C539-E548 HydrophobicContact CB-CB 4.4Å; N540-E548 HydrophobicContact CB-CB 4.2Å; N540-E548 HydrophobicContact CB-CG 4.12Å; N540-E548 WeakPolarHBondContact CB-OE2 3.47Å; N540-E548 PolarHBondContact N-OE2 3.35Å; N540-E548 PolarHBondContact O-N 2.71Å; I541-E548 WeakPolarHBondContact CA-O 3.35Å; E548-C555 WeakPolarHBondContact OE2-CB 3.32Å; E548-I556 CarbonylContact C-O 3.48Å; E548-I556 WeakPolarHBondContact CA-O 3.31Å; E548-I556 WeakPolarHBondContact CB-O 3.48Å; E548-Q557 HydrophobicContact CG-CG 4.26Å
549	F	94.6	Very high	91.8	Very high	18 Å²	18	59.1 Å²	59.1	8%	0.079	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	174	162.6	75.3	-75.7	0	0	0	109.7	E551 I556 G573 R574	F549-E551 HydrophobicContact CD2-CB 4.48Å; F549-E551 HydrophobicContact CE2-CB 3.81Å; F549-E551 HydrophobicContact CZ-CB 4.47Å; F549-I556 HydrophobicContact CD1-CB 4.18Å; F549-I556 HydrophobicContact CD1-CG2 4.49Å; F549-I556 VanDerWaalsContact CD1-O 3.25Å; F549-I556 WeakPolarHBondContact CD1-O 3.48Å; F549-I556 HydrophobicContact CE1-CB 3.63Å; F549-I556 HydrophobicContact CE1-CG2 3.58Å; F549-I556 HydrophobicContact CZ-CB 3.84Å; F549-I556 HydrophobicContact CZ-CD1 4.46Å; F549-I556 HydrophobicContact CZ-CG2 3.87Å; F549-I556 PolarHBondContact N-O 3.3Å; F549-I556 PolarHBondContact O-N 2.84Å; F549-G573 VanDerWaalsContact CE1-C 3.49Å; F549-R574 HydrophobicContact CE1-CG 4.05Å; F549-R574 HydrophobicContact CZ-CG 3.64Å
550	V	93.5	Very high	91.9	Very high	67 Å²	67	63.8 Å²	63.8	41%	0.406	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	126.4	-177.5	-171.7	0	0	0	0	110.7	V529 C539 I541 E554	V529-V550 HydrophobicContact CG1-CG1 4.47Å; C539-V550 HydrophobicContact CB-CG2 4.1Å; I541-V550 HydrophobicContact CD1-CG2 3.72Å; I541-V550 HydrophobicContact CG1-CG2 4.31Å; V550-E554 WeakPolarHBondContact CA-O 3.35Å
551	E	92.2	Very high	92	Very high	68 Å²	68	63.6 Å²	63.6	32%	0.318	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	122.5	176.7	-179.4	170.5	-101.1	0	0	108	F549 S553 E554 I556 R574	F549-E551 HydrophobicContact CD2-CB 4.48Å; F549-E551 HydrophobicContact CE2-CB 3.81Å; F549-E551 HydrophobicContact CZ-CB 4.47Å; E551-S553 PolarHBondContact O-N 2.78Å; E551-S553 VanDerWaalsContact O-N 3.15Å; E551-E554 PolarHBondContact N-O 3.19Å; E551-E554 VanDerWaalsContact N-O 3.12Å; E551-E554 WeakPolarHBondContact O-CB 3.4Å; E551-E554 PolarHBondContact O-N 2.87Å; E551-I556 HydrophobicContact CB-CD1 3.77Å; E551-I556 HydrophobicContact CB-CG1 4.4Å; E551-I556 HydrophobicContact CG-CD1 4.29Å; E551-I556 VanDerWaalsContact OE2-CD1 3.3Å; E551-I556 WeakPolarHBondContact OE2-CD1 3.37Å; E551-R574 IonicContact OE2-CZ 3.13Å; E551-R574 VanDerWaalsContact OE2-CZ 3.25Å; E551-R574 IonicContact OE2-NE 3.81Å; E551-R574 PolarHBondContact OE2-NE 3.38Å; E551-R574 IonicContact OE2-NH2 3.21Å; E551-R574 PolarHBondContact OE2-NH2 3.48Å
552	N	89.4	Confident	92.2	Very high	154 Å²	154	61.3 Å²	61.3	82%	0.824	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.3	34	-177.8	-55.4	-45	0	0	0	115.1	E554	N552-E554 PolarHBondContact O-N 3.34Å
553	S	89.7	Confident	92.4	Very high	67 Å²	67	60.7 Å²	60.7	47%	0.469	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.5	10.4	-171.8	-60.8	0	0	0	0	116.1	V529 S530 E551	V529-S553 WeakPolarHBondContact CA-O 3.47Å; V529-S553 VanDerWaalsContact CB-O 3.32Å; V529-S553 WeakPolarHBondContact CB-O 3.48Å; V529-S553 WeakPolarHBondContact CG1-O 3.3Å; S530-S553 PolarHBondContact N-O 2.85Å; E551-S553 PolarHBondContact O-N 2.78Å; E551-S553 VanDerWaalsContact O-N 3.15Å
554	E	92.6	Very high	92.7	Very high	91 Å²	91	57.8 Å²	57.8	43%	0.425	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	140	167.7	-53	-161.3	140.9	0	0	110.8	S530 V550 E551 N552 I556	S530-E554 WeakPolarHBondContact O-CA 3.15Å; V550-E554 WeakPolarHBondContact CA-O 3.35Å; E551-E554 PolarHBondContact N-O 3.19Å; E551-E554 VanDerWaalsContact N-O 3.12Å; E551-E554 WeakPolarHBondContact O-CB 3.4Å; E551-E554 PolarHBondContact O-N 2.87Å; N552-E554 PolarHBondContact O-N 3.34Å; E554-I556 HydrophobicContact CB-CG1 4.16Å; E554-I556 PolarHBondContact O-N 2.79Å
555	C	94	Very high	93	Very high	10 Å²	10	57.5 Å²	57.5	7%	0.068	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	108.4	169.5	-53.4	0	0	0	0	109.1	S530 R531 C539 E548	S530-C555 WeakPolarHBondContact O-CB 3.49Å; S530-C555 PolarHBondContact O-N 3.13Å; S530-C555 PolarHBondContact O-SG 2.87Å; R531-C555 HydrophobicContact CB-CB 4.42Å; C539-C555 WeakPolarHBondContact CA-SG 3.47Å; C539-C555 HydrophobicContact CB-CB 3.63Å; C539-C555 WeakPolarHBondContact CB-SG 3.14Å; C539-C555 WeakPolarHBondContact SG-CA 3.39Å; C539-C555 WeakPolarHBondContact SG-CB 3.49Å; C539-C555 CovalentContact SG-SG 2.03Å; C539-C555 PolarHBondContact SG-SG 2.79Å; E548-C555 WeakPolarHBondContact OE2-CB 3.32Å
556	I	93.1	Very high	93.2	Very high	25 Å²	25	57.5 Å²	57.5	13%	0.128	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	131.4	-175.9	-52.7	-165.5	0	0	0	109.9	E548 F549 E551 E554 R574	E548-I556 CarbonylContact C-O 3.48Å; E548-I556 WeakPolarHBondContact CA-O 3.31Å; E548-I556 WeakPolarHBondContact CB-O 3.48Å; F549-I556 HydrophobicContact CD1-CB 4.18Å; F549-I556 HydrophobicContact CD1-CG2 4.49Å; F549-I556 VanDerWaalsContact CD1-O 3.25Å; F549-I556 WeakPolarHBondContact CD1-O 3.48Å; F549-I556 HydrophobicContact CE1-CB 3.63Å; F549-I556 HydrophobicContact CE1-CG2 3.58Å; F549-I556 HydrophobicContact CZ-CB 3.84Å; F549-I556 HydrophobicContact CZ-CD1 4.46Å; F549-I556 HydrophobicContact CZ-CG2 3.87Å; F549-I556 PolarHBondContact N-O 3.3Å; F549-I556 PolarHBondContact O-N 2.84Å; E551-I556 HydrophobicContact CB-CD1 3.77Å; E551-I556 HydrophobicContact CB-CG1 4.4Å; E551-I556 HydrophobicContact CG-CD1 4.29Å; E551-I556 VanDerWaalsContact OE2-CD1 3.3Å; E551-I556 WeakPolarHBondContact OE2-CD1 3.37Å; E554-I556 HydrophobicContact CB-CG1 4.16Å; E554-I556 PolarHBondContact O-N 2.79Å; I556-R574 HydrophobicContact CG2-CG 4.35Å
557	Q	93.9	Very high	93	Very high	118 Å²	118	61.1 Å²	61.1	55%	0.551	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.8	138.6	-176.6	-64	177	6.1	0	0	111.9	P546 R547 E548	P546-Q557 HydrophobicContact CB-CG 4.34Å; P546-Q557 HydrophobicContact CG-CG 3.87Å; R547-Q557 WeakPolarHBondContact O-CA 3.41Å; E548-Q557 HydrophobicContact CG-CG 4.26Å
558	C	94.3	Very high	92.9	Very high	17 Å²	17	63.8 Å²	63.8	12%	0.115	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-63.6	159.6	167.6	-65.4	0	0	0	0	111	R547 C562 T570 C571	R547-C558 HydrophobicContact CB-CB 4.47Å; R547-C558 PolarHBondContact O-N 3.22Å; C558-C562 HydrophobicContact CB-CB 4.28Å; C558-T570 HydrophobicContact CB-CG2 4.36Å; C558-C571 WeakPolarHBondContact CA-SG 3.39Å; C558-C571 HydrophobicContact CB-CB 3.76Å; C558-C571 WeakPolarHBondContact CB-SG 3.06Å; C558-C571 WeakPolarHBondContact SG-CB 3.43Å; C558-C571 CovalentContact SG-SG 2.04Å; C558-C571 PolarHBondContact SG-SG 3Å
559	H	95.8	Very high	92.8	Very high	63 Å²	63	66.5 Å²	66.5	29%	0.292	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-63.8	142.9	174.3	-169.4	-107.2	0	0	0	110.9	E561 C562 G575	H559-E561 PolarHBondContact ND1-N 2.81Å; H559-E561 PolarHBondContact O-N 2.9Å; H559-C562 WeakPolarHBondContact O-CB 3.41Å; H559-C562 PolarHBondContact O-N 2.9Å; H559-C562 PolarHBondContact O-SG 3.17Å; H559-C562 VanDerWaalsContact O-SG 3.38Å; H559-G575 WeakPolarHBondContact CB-O 3.4Å
560	P	94.4	Very high	92.8	Very high	110 Å²	110	65.7 Å²	65.7	71%	0.714	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-16	-177.3	-27.2	36.5	0	0	0	115.6
561	E	95.7	Very high	92.9	Very high	21 Å²	21	62.7 Å²	62.7	10%	0.098	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	2.5	176.1	-57	-61.7	142.2	0	0	113.3	H559 C582 A583 H584 C591 K593	H559-E561 PolarHBondContact ND1-N 2.81Å; H559-E561 PolarHBondContact O-N 2.9Å; E561-C582 CarbonylContact O-C 3.22Å; E561-C582 WeakPolarHBondContact O-CA 3.27Å; E561-A583 PolarHBondContact O-N 2.95Å; E561-H584 IonicContact OE1-ND1 2.75Å; E561-H584 IonicContact OE2-CE1 2.71Å; E561-H584 IonicContact OE2-CG 3.92Å; E561-H584 IonicContact OE2-ND1 2.66Å; E561-H584 PolarHBondContact OE2-ND1 3.02Å; E561-C591 HydrophobicContact CB-CB 3.83Å; E561-K593 WeakPolarHBondContact OE1-CB 3.3Å; E561-K593 WeakPolarHBondContact OE2-CA 3.48Å; E561-K593 PolarHBondContact OE2-N 3.43Å
562	C	95.7	Very high	92.9	Very high	9 Å²	9	63.4 Å²	63.4	6%	0.061	35%	0.349	C	S	.	.	B	Isolated β-bridge	trans	-84.4	125.5	172.8	-54.6	0	0	0	0	111	C558 H559 P564 T570 C579	C558-C562 HydrophobicContact CB-CB 4.28Å; H559-C562 WeakPolarHBondContact O-CB 3.41Å; H559-C562 PolarHBondContact O-N 2.9Å; H559-C562 PolarHBondContact O-SG 3.17Å; H559-C562 VanDerWaalsContact O-SG 3.38Å; C562-P564 WeakPolarHBondContact O-CD 3.37Å; C562-T570 HydrophobicContact CB-CG2 3.75Å; C562-C579 WeakPolarHBondContact CA-SG 3.5Å; C562-C579 HydrophobicContact CB-CB 3.64Å; C562-C579 WeakPolarHBondContact CB-SG 3.46Å; C562-C579 PolarHBondContact N-SG 2.99Å; C562-C579 WeakPolarHBondContact SG-CA 3.35Å; C562-C579 WeakPolarHBondContact SG-CB 3.05Å; C562-C579 CovalentContact SG-SG 2.03Å; C562-C579 PolarHBondContact SG-SG 3.37Å
563	L	94.7	Very high	93.1	Very high	65 Å²	65	56.5 Å²	56.5	34%	0.34	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-76.9	121.5	178.9	-173.2	69	0	0	0	111.2	Q565 Q581 A583	L563-Q565 PolarHBondContact O-N 3.13Å; L563-Q565 PolarHBondContact O-NE2 3.19Å; L563-Q581 HydrophobicContact CB-CB 4.35Å; L563-Q581 HydrophobicContact CB-CG 4.5Å; L563-Q581 HydrophobicContact CD2-CG 4.26Å; L563-Q581 PolarHBondContact N-O 3.27Å; L563-A583 HydrophobicContact CB-CB 4.31Å; L563-A583 HydrophobicContact CD1-CB 4.32Å
564	P	93.9	Very high	93.2	Very high	57 Å²	57	60.3 Å²	60.3	37%	0.37	32%	0.318	S	S	.	.	P	Polyproline II helix	trans	-56.5	122.2	-178.4	-28.5	36.9	0	0	0	114	R547 C562	R547-P564 HydrophobicContact CG-CB 4.01Å; R547-P564 HydrophobicContact CG-CG 4.28Å; C562-P564 WeakPolarHBondContact O-CD 3.37Å
565	Q	91.9	Very high	93.1	Very high	33 Å²	33	57.2 Å²	57.2	15%	0.154	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-93.1	124.5	-174	-63.7	-63	-57.6	0	0	112	R547 L563 M567 N568 I569 T570 I580 Q581	R547-Q565 VanDerWaalsContact CZ-O 3.27Å; R547-Q565 PolarHBondContact NH1-O 3.42Å; R547-Q565 PolarHBondContact NH2-O 3.01Å; L563-Q565 PolarHBondContact O-N 3.13Å; L563-Q565 PolarHBondContact O-NE2 3.19Å; Q565-M567 PolarHBondContact O-N 3.01Å; Q565-N568 HydrophobicContact CB-CB 4.11Å; Q565-N568 VanDerWaalsContact O-O 3.13Å; Q565-I569 WeakPolarHBondContact CB-O 3.5Å; Q565-I569 WeakPolarHBondContact CG-O 3.24Å; Q565-T570 PolarHBondContact N-OG1 3.31Å; Q565-T570 VanDerWaalsContact N-OG1 3.11Å; Q565-I580 HydrophobicContact CG-CB 4.24Å; Q565-I580 HydrophobicContact CG-CG2 4.18Å; Q565-Q581 VanDerWaalsContact NE2-OE1 3.08Å
566	V	89.2	Confident	93.1	Very high	130 Å²	130	58.2 Å²	58.2	79%	0.788	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	122.9	179.8	179.6	0	0	0	0	110.1	N568	V566-N568 PolarHBondContact O-N 2.84Å; V566-N568 VanDerWaalsContact O-N 3.11Å
567	M	85.8	Confident	93.1	Very high	133 Å²	133	60.8 Å²	60.8	66%	0.655	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.3	19.5	-179.9	-62.6	-63.8	-70.1	0	0	115.3	Q565	Q565-M567 PolarHBondContact O-N 3.01Å
568	N	92.1	Very high	93.1	Very high	80 Å²	80	58 Å²	58	43%	0.428	32%	0.32	S	S	.	.	S	Bend	trans	-140.9	166.7	177.3	-167	15.3	0	0	0	110.3	L542 R547 Q565 V566	L542-N568 VanDerWaalsContact CD2-C 3.49Å; R547-N568 PolarHBondContact NH1-O 3.07Å; Q565-N568 HydrophobicContact CB-CB 4.11Å; Q565-N568 VanDerWaalsContact O-O 3.13Å; V566-N568 PolarHBondContact O-N 2.84Å; V566-N568 VanDerWaalsContact O-N 3.11Å
569	I	92.8	Very high	93.1	Very high	61 Å²	61	58.2 Å²	58.2	31%	0.313	32%	0.321	S	S	.	.			trans	-66.9	143.3	176.2	73.3	-179.6	0	0	0	110.4	I541 L542 Q565 T572 I580	I541-I569 HydrophobicContact CG2-CB 4.36Å; I541-I569 HydrophobicContact CG2-CG2 3.71Å; L542-I569 HydrophobicContact CD2-CG2 4.28Å; Q565-I569 WeakPolarHBondContact CB-O 3.5Å; Q565-I569 WeakPolarHBondContact CG-O 3.24Å; I569-T572 HydrophobicContact CD1-CG2 4.1Å; I569-I580 HydrophobicContact CD1-CD1 4.34Å; I569-I580 HydrophobicContact CG1-CD1 4.22Å; I569-I580 HydrophobicContact CG1-CG1 3.97Å; I569-I580 WeakPolarHBondContact O-CG1 3.22Å
570	T	94.3	Very high	93.1	Very high	1 Å²	1	59 Å²	59	1%	0.006	33%	0.327	C	S	.	.	S	Bend	trans	-91.8	-32	179.8	-65	0	0	0	0	113	R547 C558 C562 Q565 I580	R547-T570 HydrophobicContact CB-CG2 3.96Å; R547-T570 HydrophobicContact CG-CG2 4.2Å; R547-T570 WeakPolarHBondContact CG-OG1 3.32Å; R547-T570 PolarHBondContact NH1-OG1 2.81Å; R547-T570 VanDerWaalsContact NH1-OG1 3.1Å; C558-T570 HydrophobicContact CB-CG2 4.36Å; C562-T570 HydrophobicContact CB-CG2 3.75Å; Q565-T570 PolarHBondContact N-OG1 3.31Å; Q565-T570 VanDerWaalsContact N-OG1 3.11Å; T570-I580 PolarHBondContact O-N 2.94Å
571	C	95.4	Very high	93	Very high	4 Å²	4	58.4 Å²	58.4	3%	0.027	32%	0.315	C	S	.	.	B	Isolated β-bridge	trans	-148.6	162.6	177.7	67.5	0	0	0	0	111.6	C558 N578	C558-C571 WeakPolarHBondContact CA-SG 3.39Å; C558-C571 HydrophobicContact CB-CB 3.76Å; C558-C571 WeakPolarHBondContact CB-SG 3.06Å; C558-C571 WeakPolarHBondContact SG-CB 3.43Å; C558-C571 CovalentContact SG-SG 2.04Å; C558-C571 PolarHBondContact SG-SG 3Å; C571-N578 CarbonylContact C-O 3.53Å; C571-N578 WeakPolarHBondContact CA-O 3.25Å; C571-N578 VanDerWaalsContact CB-O 3.23Å; C571-N578 WeakPolarHBondContact CB-O 3.27Å
572	T	93.4	Very high	93	Very high	83 Å²	83	58.6 Å²	58.6	51%	0.509	32%	0.318	S	S	.	.	S	Bend	trans	-106.2	-3.2	177.6	50.5	0	0	0	0	113.8	I569 N578 I580	I569-T572 HydrophobicContact CD1-CG2 4.1Å; T572-N578 PolarHBondContact N-O 2.83Å; T572-N578 PolarHBondContact OG1-O 2.91Å; T572-N578 PolarHBondContact OG1-OD1 3.28Å; T572-N578 VanDerWaalsContact OG1-OD1 3.14Å; T572-I580 HydrophobicContact CG2-CD1 4.08Å
573	G	91.9	Very high	92.9	Very high	8 Å²	8	60 Å²	60	8%	0.082	33%	0.33	C	S	.	.	S	Bend	trans	176.4	-176.3	-169.4	0	0	0	0	0	112.9	F549 N578	F549-G573 VanDerWaalsContact CE1-C 3.49Å; G573-N578 WeakPolarHBondContact O-CB 3.49Å
574	R	92.3	Very high	92.9	Very high	148 Å²	148	60.8 Å²	60.8	56%	0.558	33%	0.332	S	S	*	.	S	Bend	trans	-75.4	152.3	177.4	-47.9	-174	-169.5	-149.5	6.9	111.1	F549 E551 I556 N578	F549-R574 HydrophobicContact CE1-CG 4.05Å; F549-R574 HydrophobicContact CZ-CG 3.64Å; E551-R574 IonicContact OE2-CZ 3.13Å; E551-R574 VanDerWaalsContact OE2-CZ 3.25Å; E551-R574 IonicContact OE2-NE 3.81Å; E551-R574 PolarHBondContact OE2-NE 3.38Å; E551-R574 IonicContact OE2-NH2 3.21Å; E551-R574 PolarHBondContact OE2-NH2 3.48Å; I556-R574 HydrophobicContact CG2-CG 4.35Å; R574-N578 PolarHBondContact O-ND2 2.64Å
575	G	91.1	Very high	93	Very high	26 Å²	26	61.4 Å²	61.4	27%	0.268	33%	0.327	S	S	.	.	S	Bend	trans	84.5	167.2	174.6	0	0	0	0	0	115.2	H559 D577 N578	H559-G575 WeakPolarHBondContact CB-O 3.4Å; G575-D577 VanDerWaalsContact C-N 3.29Å; G575-D577 PolarHBondContact O-N 3.5Å; G575-N578 PolarHBondContact O-N 3.03Å
576	P	93	Very high	93.1	Very high	30 Å²	30	62.7 Å²	62.7	20%	0.195	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-69	-23.4	-173.2	24.4	-30.4	0	0	0	114.3	N578 C579 C591	P576-N578 VanDerWaalsContact C-N 3.26Å; P576-N578 PolarHBondContact O-N 3.18Å; P576-C579 PolarHBondContact O-SG 3.25Å; P576-C591 HydrophobicContact CB-CB 4.06Å; P576-C591 WeakPolarHBondContact CB-O 3.33Å; P576-C591 PolarHBondContact O-SG 2.92Å
577	D	93	Very high	93.3	Very high	80 Å²	80	56.7 Å²	56.7	43%	0.428	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-69.3	-23.6	-178	-53.5	36.7	0	0	0	112.8	G575 H590	G575-D577 VanDerWaalsContact C-N 3.29Å; G575-D577 PolarHBondContact O-N 3.5Å; D577-H590 IonicContact OD1-CE1 3.67Å; D577-H590 IonicContact OD1-CG 2.71Å; D577-H590 IonicContact OD1-ND1 2.67Å; D577-H590 PolarHBondContact OD1-ND1 2.85Å; D577-H590 IonicContact OD2-CE1 2.78Å; D577-H590 PolarHBondContact OD2-CE1 2.82Å; D577-H590 IonicContact OD2-ND1 3.89Å; D577-H590 PolarHBondContact OD2-ND1 3.37Å; D577-H590 VanDerWaalsContact OD2-ND1 3.15Å
578	N	95.1	Very high	93.6	Very high	60 Å²	60	52 Å²	52	32%	0.321	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-97.9	11.3	-174.8	-77.2	-67.6	0	0	0	113.2	C571 T572 G573 R574 G575 P576	C571-N578 CarbonylContact C-O 3.53Å; C571-N578 WeakPolarHBondContact CA-O 3.25Å; C571-N578 VanDerWaalsContact CB-O 3.23Å; C571-N578 WeakPolarHBondContact CB-O 3.27Å; T572-N578 PolarHBondContact N-O 2.83Å; T572-N578 PolarHBondContact OG1-O 2.91Å; T572-N578 PolarHBondContact OG1-OD1 3.28Å; T572-N578 VanDerWaalsContact OG1-OD1 3.14Å; G573-N578 WeakPolarHBondContact O-CB 3.49Å; R574-N578 PolarHBondContact O-ND2 2.64Å; G575-N578 PolarHBondContact O-N 3.03Å; P576-N578 VanDerWaalsContact C-N 3.26Å; P576-N578 PolarHBondContact O-N 3.18Å
579	C	94.6	Very high	93.5	Very high	20 Å²	20	51.6 Å²	51.6	14%	0.135	29%	0.285	C	S	.	.	B	Isolated β-bridge	trans	-76.1	139.3	174.8	-58.9	0	0	0	0	111.2	C562 P576 Q581 C591	C562-C579 WeakPolarHBondContact CA-SG 3.5Å; C562-C579 HydrophobicContact CB-CB 3.64Å; C562-C579 WeakPolarHBondContact CB-SG 3.46Å; C562-C579 PolarHBondContact N-SG 2.99Å; C562-C579 WeakPolarHBondContact SG-CA 3.35Å; C562-C579 WeakPolarHBondContact SG-CB 3.05Å; C562-C579 CovalentContact SG-SG 2.03Å; C562-C579 PolarHBondContact SG-SG 3.37Å; P576-C579 PolarHBondContact O-SG 3.25Å; C579-Q581 VanDerWaalsContact C-N 3.29Å; C579-C591 VanDerWaalsContact CB-SG 3.52Å
580	I	94.4	Very high	93.6	Very high	79 Å²	79	50.1 Å²	50.1	41%	0.405	28%	0.277	S	S	.	.	S	Bend	trans	-69.2	-31.1	171.4	-63.1	-56	0	0	0	111.5	Q565 I569 T570 T572	Q565-I580 HydrophobicContact CG-CB 4.24Å; Q565-I580 HydrophobicContact CG-CG2 4.18Å; I569-I580 HydrophobicContact CD1-CD1 4.34Å; I569-I580 HydrophobicContact CG1-CD1 4.22Å; I569-I580 HydrophobicContact CG1-CG1 3.97Å; I569-I580 WeakPolarHBondContact O-CG1 3.22Å; T570-I580 PolarHBondContact O-N 2.94Å; T572-I580 HydrophobicContact CG2-CD1 4.08Å
581	Q	93.3	Very high	93.6	Very high	99 Å²	99	50.4 Å²	50.4	46%	0.463	28%	0.279	S	S	.	.	S	Bend	trans	-153.4	145	174.8	-170.8	177.8	7.3	0	0	109.6	L563 Q565 C579	L563-Q581 HydrophobicContact CB-CB 4.35Å; L563-Q581 HydrophobicContact CB-CG 4.5Å; L563-Q581 HydrophobicContact CD2-CG 4.26Å; L563-Q581 PolarHBondContact N-O 3.27Å; Q565-Q581 VanDerWaalsContact NE2-OE1 3.08Å; C579-Q581 VanDerWaalsContact C-N 3.29Å
582	C	95.1	Very high	93.5	Very high	24 Å²	24	51.7 Å²	51.7	16%	0.162	29%	0.286	C	S	.	.	B	Isolated β-bridge	trans	-82.8	146.2	178.1	-51.9	0	0	0	0	112.3	E561 I586 C591	E561-C582 CarbonylContact O-C 3.22Å; E561-C582 WeakPolarHBondContact O-CA 3.27Å; C582-I586 HydrophobicContact CB-CG1 4.08Å; C582-C591 WeakPolarHBondContact CA-SG 3.5Å; C582-C591 HydrophobicContact CB-CB 3.57Å; C582-C591 WeakPolarHBondContact CB-SG 3.34Å; C582-C591 WeakPolarHBondContact SG-CA 3.36Å; C582-C591 WeakPolarHBondContact SG-CB 3.43Å; C582-C591 CovalentContact SG-SG 2.03Å; C582-C591 PolarHBondContact SG-SG 3.28Å
583	A	94.1	Very high	93.6	Very high	39 Å²	39	54.1 Å²	54.1	32%	0.322	29%	0.29	S	S	.	.	S	Bend	trans	-84.3	-27.3	-179.7	0	0	0	0	0	114.2	E561 L563	E561-A583 PolarHBondContact O-N 2.95Å; L563-A583 HydrophobicContact CB-CB 4.31Å; L563-A583 HydrophobicContact CD1-CB 4.32Å
584	H	94.5	Very high	93.6	Very high	81 Å²	81	58.6 Å²	58.6	38%	0.375	32%	0.316	S	S	.	.	S	Bend	trans	-123.1	-71	-178.5	-60.7	104.6	0	0	0	113	E561 H615	E561-H584 IonicContact OE1-ND1 2.75Å; E561-H584 IonicContact OE2-CE1 2.71Å; E561-H584 IonicContact OE2-CG 3.92Å; E561-H584 IonicContact OE2-ND1 2.66Å; E561-H584 PolarHBondContact OE2-ND1 3.02Å; H584-H615 WeakPolarHBondContact O-CB 3.32Å; H584-H615 PolarHBondContact O-ND1 3.27Å
585	Y	95.6	Very high	93.7	Very high	70 Å²	70	52.3 Å²	52.3	28%	0.275	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	164.1	-177.7	-55.1	-85.9	0	0	0	112.5	V592 K593 A611 H615	Y585-V592 WeakPolarHBondContact CA-O 3.46Å; Y585-V592 WeakPolarHBondContact CB-O 3.37Å; Y585-V592 PolarHBondContact N-O 3.4Å; Y585-V592 PolarHBondContact O-N 3.08Å; Y585-K593 VanDerWaalsContact CD2-O 3.27Å; Y585-K593 WeakPolarHBondContact CD2-O 3.13Å; Y585-K593 WeakPolarHBondContact CE2-O 3.32Å; Y585-A611 HydrophobicContact CD1-CB 3.44Å; Y585-A611 VanDerWaalsContact CD1-CB 3.44Å; Y585-A611 HydrophobicContact CE1-CB 3.39Å; Y585-H615 CarbonylContact C-O 3.44Å; Y585-H615 VanDerWaalsContact CA-O 3.26Å; Y585-H615 WeakPolarHBondContact CA-O 3.39Å; Y585-H615 WeakPolarHBondContact CB-O 3.4Å; Y585-H615 HydrophobicContact CD1-CB 3.76Å; Y585-H615 AromaticContact CD1-ND1 3.73Å; Y585-H615 HydrophobicContact CE1-CB 4.33Å; Y585-H615 AromaticContact CE1-ND1 3.44Å; Y585-H615 WeakPolarHBondContact CE1-ND1 3.29Å
586	I	95.2	Very high	93.8	Very high	61 Å²	61	52 Å²	52	31%	0.313	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	115	-177.3	-42.6	-175	0	0	0	109.4	C582 G588 H615 V616 C617	C582-I586 HydrophobicContact CB-CG1 4.08Å; I586-G588 WeakPolarHBondContact CG2-O 3.01Å; I586-H615 PolarHBondContact N-O 3.24Å; I586-V616 HydrophobicContact CB-CG2 4.48Å; I586-V616 HydrophobicContact CD1-CG2 4.45Å; I586-C617 WeakPolarHBondContact O-CB 3.25Å; I586-C617 PolarHBondContact O-N 3.34Å
587	D	93.4	Very high	93.6	Very high	4 Å²	4	53.6 Å²	53.6	2%	0.021	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	88	174.6	-169.4	46.7	0	0	0	110.6	Y270 Y275 P589 H590 V592 P596 K609 C617	Y270-D587 PolarHBondContact OH-OD1 3.22Å; Y270-D587 PolarHBondContact OH-OD2 3.5Å; Y275-D587 VanDerWaalsContact CD1-C 3.47Å; D587-P589 WeakPolarHBondContact O-CD 3.48Å; D587-H590 PolarHBondContact N-O 2.86Å; D587-H590 PolarHBondContact O-N 2.52Å; D587-V592 HydrophobicContact CB-CG1 4.03Å; D587-V592 HydrophobicContact CB-CG2 3.76Å; D587-P596 VanDerWaalsContact OD2-CG 3.26Å; D587-P596 WeakPolarHBondContact OD2-CG 3.34Å; D587-K609 VanDerWaalsContact OD1-CD 3.28Å; D587-K609 WeakPolarHBondContact OD1-CD 3.44Å; D587-K609 WeakPolarHBondContact OD1-CE 3.04Å; D587-K609 IonicContact OD1-NZ 2.69Å; D587-K609 PolarHBondContact OD1-NZ 3Å; D587-K609 IonicContact OD2-NZ 2.87Å; D587-C617 HydrophobicContact CB-CB 4.02Å; D587-C617 WeakPolarHBondContact OD1-CB 3.35Å
588	G	90.6	Very high	93.3	Very high	33 Å²	33	51.2 Å²	51.2	34%	0.34	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.9	-118.6	-173.3	0	0	0	0	0	110.5	Y275 I586	Y275-G588 VanDerWaalsContact CD1-CA 3.41Å; Y275-G588 VanDerWaalsContact CD1-N 3.33Å; Y275-G588 VanDerWaalsContact CE1-CA 3.43Å; Y275-G588 VanDerWaalsContact CE1-N 3.29Å; I586-G588 WeakPolarHBondContact CG2-O 3.01Å
589	P	91.3	Very high	92.9	Very high	73 Å²	73	51 Å²	51	47%	0.474	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82	-9.9	173.6	35.2	-34.2	0	0	0	113.6	D587	D587-P589 WeakPolarHBondContact O-CD 3.48Å
590	H	93.4	Very high	92.3	Very high	30 Å²	30	52.3 Å²	52.3	14%	0.139	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	126.9	-168.8	-52.5	-64.9	0	0	0	112.7	Y275 D577 D587 V592	Y275-H590 PolarHBondContact O-NE2 3.5Å; D577-H590 IonicContact OD1-CE1 3.67Å; D577-H590 IonicContact OD1-CG 2.71Å; D577-H590 IonicContact OD1-ND1 2.67Å; D577-H590 PolarHBondContact OD1-ND1 2.85Å; D577-H590 IonicContact OD2-CE1 2.78Å; D577-H590 PolarHBondContact OD2-CE1 2.82Å; D577-H590 IonicContact OD2-ND1 3.89Å; D577-H590 PolarHBondContact OD2-ND1 3.37Å; D577-H590 VanDerWaalsContact OD2-ND1 3.15Å; D587-H590 PolarHBondContact N-O 2.86Å; D587-H590 PolarHBondContact O-N 2.52Å; H590-V592 HydrophobicContact CB-CG1 4.15Å; H590-V592 PolarHBondContact O-N 3.33Å
591	C	95.2	Very high	91.9	Very high	6 Å²	6	48.6 Å²	48.6	4%	0.041	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	119.8	164.4	-63.6	0	0	0	0	111.4	E561 P576 C579 C582	E561-C591 HydrophobicContact CB-CB 3.83Å; P576-C591 HydrophobicContact CB-CB 4.06Å; P576-C591 WeakPolarHBondContact CB-O 3.33Å; P576-C591 PolarHBondContact O-SG 2.92Å; C579-C591 VanDerWaalsContact CB-SG 3.52Å; C582-C591 WeakPolarHBondContact CA-SG 3.5Å; C582-C591 HydrophobicContact CB-CB 3.57Å; C582-C591 WeakPolarHBondContact CB-SG 3.34Å; C582-C591 WeakPolarHBondContact SG-CA 3.36Å; C582-C591 WeakPolarHBondContact SG-CB 3.43Å; C582-C591 CovalentContact SG-SG 2.03Å; C582-C591 PolarHBondContact SG-SG 3.28Å
592	V	93.6	Very high	91.4	Very high	31 Å²	31	47.6 Å²	47.6	19%	0.188	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	145.1	-175.3	-59.7	0	0	0	0	112.8	Y585 D587 H590 T594	Y585-V592 WeakPolarHBondContact CA-O 3.46Å; Y585-V592 WeakPolarHBondContact CB-O 3.37Å; Y585-V592 PolarHBondContact N-O 3.4Å; Y585-V592 PolarHBondContact O-N 3.08Å; D587-V592 HydrophobicContact CB-CG1 4.03Å; D587-V592 HydrophobicContact CB-CG2 3.76Å; H590-V592 HydrophobicContact CB-CG1 4.15Å; H590-V592 PolarHBondContact O-N 3.33Å; V592-T594 VanDerWaalsContact C-N 3.3Å; V592-T594 PolarHBondContact O-N 3.2Å
593	K	94	Very high	90.7	Very high	134 Å²	134	53.6 Å²	53.6	58%	0.583	31%	0.31	S	S	*	.	S	Bend	trans	-67.4	-29.6	179	-166.5	166.5	-176.6	168.8	0	113.9	E561 Y585	E561-K593 WeakPolarHBondContact OE1-CB 3.3Å; E561-K593 WeakPolarHBondContact OE2-CA 3.48Å; E561-K593 PolarHBondContact OE2-N 3.43Å; Y585-K593 VanDerWaalsContact CD2-O 3.27Å; Y585-K593 WeakPolarHBondContact CD2-O 3.13Å; Y585-K593 WeakPolarHBondContact CE2-O 3.32Å
594	T	93.7	Very high	89.8	Confident	102 Å²	102	57.9 Å²	57.9	63%	0.626	33%	0.327	S	S	*	.	S	Bend	trans	-155	142.9	179.3	50.2	0	0	0	0	108.5	V592	V592-T594 VanDerWaalsContact C-N 3.3Å; V592-T594 PolarHBondContact O-N 3.2Å
595	C	93.6	Very high	89.3	Confident	17 Å²	17	57.8 Å²	57.8	12%	0.115	33%	0.332	C	S	.	.			trans	-60.6	148.9	176.1	-59.5	0	0	0	0	112.9	A597 K609 C617	C595-A597 PolarHBondContact O-N 3.37Å; C595-K609 HydrophobicContact CB-CB 3.97Å; C595-C617 WeakPolarHBondContact CA-SG 3.08Å; C595-C617 HydrophobicContact CB-CB 3.68Å; C595-C617 WeakPolarHBondContact CB-SG 3.34Å; C595-C617 VanDerWaalsContact SG-CA 3.51Å; C595-C617 WeakPolarHBondContact SG-CB 3.31Å; C595-C617 CovalentContact SG-SG 2.04Å; C595-C617 PolarHBondContact SG-SG 3.24Å
596	P	92.3	Very high	88.8	Confident	19 Å²	19	58.6 Å²	58.6	12%	0.123	34%	0.341	C	S	.	.			trans	-56.1	125.4	178.2	-26.1	33.1	0	0	0	113.3	Y270 D587 V599 W608 K609	Y270-P596 HydrophobicContact CE2-CG 4.15Å; D587-P596 VanDerWaalsContact OD2-CG 3.26Å; D587-P596 WeakPolarHBondContact OD2-CG 3.34Å; P596-V599 HydrophobicContact CB-CG2 4Å; P596-W608 CarbonylContact O-C 3.53Å; P596-K609 HydrophobicContact CG-CD 4.41Å; P596-K609 PolarHBondContact O-N 2.93Å
597	A	90.6	Very high	88.6	Confident	63 Å²	63	56 Å²	56	52%	0.521	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	104.8	-174.4	0	0	0	0	0	110.8	C595 W608	C595-A597 PolarHBondContact O-N 3.37Å; A597-W608 HydrophobicContact CB-CE3 3.75Å; A597-W608 HydrophobicContact CB-CZ3 3.83Å
598	G	85.1	Confident	88.5	Confident	30 Å²	30	58.8 Å²	58.8	31%	0.309	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	80.7	18.4	179.1	0	0	0	0	0	114.6	V607	G598-V607 PolarHBondContact N-O 2.99Å
599	V	86.8	Confident	88.6	Confident	55 Å²	55	57.7 Å²	57.7	33%	0.333	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	144.6	171.5	-58.4	0	0	0	0	110	Y270 P596 G601 V607	Y270-V599 HydrophobicContact CD1-CG2 4.35Å; Y270-V599 HydrophobicContact CD2-CG2 4.46Å; Y270-V599 HydrophobicContact CG-CG2 3.93Å; P596-V599 HydrophobicContact CB-CG2 4Å; V599-G601 PolarHBondContact O-N 2.67Å; V599-V607 HydrophobicContact CG2-CB 3.85Å; V599-V607 HydrophobicContact CG2-CG1 4.39Å; V599-V607 PolarHBondContact N-O 2.97Å; V599-V607 PolarHBondContact O-N 2.99Å
600	M	82.9	Confident	88.7	Confident	49 Å²	49	56 Å²	56	24%	0.241	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	127.7	177.9	-167.1	71.9	82.3	0	0	109.8	P266 L269 Y270 N604 L606	P266-M600 HydrophobicContact CG-CB 3.8Å; P266-M600 HydrophobicContact CG-CG 4.08Å; L269-M600 WeakPolarHBondContact CA-O 3.17Å; L269-M600 HydrophobicContact CD2-CB 4.09Å; L269-M600 HydrophobicContact CD2-CG 3.6Å; Y270-M600 PolarHBondContact N-O 3.32Å; M600-N604 WeakPolarHBondContact CE-OD1 3.37Å; M600-L606 HydrophobicContact CE-CD2 4.43Å; M600-L606 HydrophobicContact SD-CD2 4.1Å
601	G	85.7	Confident	88.7	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	32%	0.317	C	S	.	.	B	Isolated β-bridge	trans	-114.3	-166.4	171.7	0	0	0	0	0	112.5	Y270 V599 T605	Y270-G601 VanDerWaalsContact O-CA 3.23Å; Y270-G601 WeakPolarHBondContact O-CA 2.99Å; V599-G601 PolarHBondContact O-N 2.67Å; G601-T605 PolarHBondContact N-O 2.9Å
602	E	82.4	Confident	88.6	Confident	79 Å²	79	58.9 Å²	58.9	37%	0.369	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-53.9	154.9	179.4	-62.8	-177.4	179.5	0	0	113.3	N271 N604 T605	N271-E602 PolarHBondContact ND2-OE1 3.01Å; E602-N604 PolarHBondContact O-N 3.39Å; E602-N604 VanDerWaalsContact O-N 3.13Å; E602-T605 PolarHBondContact O-N 3.41Å; E602-T605 PolarHBondContact O-OG1 3.27Å
603	N	80.1	Confident	88.4	Confident	150 Å²	150	62.5 Å²	62.5	80%	0.802	36%	0.364	S	S	*	.	G	3₁₀ helix	trans	54.9	28.2	178.5	-57.2	-60.8	0	0	0	114.8	T605	N603-T605 PolarHBondContact O-N 3.06Å
604	N	75.7	Confident	88.3	Confident	128 Å²	128	58.5 Å²	58.5	68%	0.684	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	57.8	36.4	-179.2	-168.9	71.7	0	0	0	112.6	M600 E602	M600-N604 WeakPolarHBondContact CE-OD1 3.37Å; E602-N604 PolarHBondContact O-N 3.39Å; E602-N604 VanDerWaalsContact O-N 3.13Å
605	T	83.8	Confident	88.2	Confident	79 Å²	79	58.2 Å²	58.2	49%	0.485	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-101.4	145.1	175.9	63.2	0	0	0	0	111.2	G601 E602 N603	G601-T605 PolarHBondContact N-O 2.9Å; E602-T605 PolarHBondContact O-N 3.41Å; E602-T605 PolarHBondContact O-OG1 3.27Å; N603-T605 PolarHBondContact O-N 3.06Å
606	L	86.2	Confident	88.3	Confident	87 Å²	87	59.7 Å²	59.7	46%	0.455	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	121.8	174.2	-65.5	178.4	0	0	0	110	M600	M600-L606 HydrophobicContact CE-CD2 4.43Å; M600-L606 HydrophobicContact SD-CD2 4.1Å
607	V	89.8	Confident	88.4	Confident	8 Å²	8	58.9 Å²	58.9	5%	0.048	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	124.6	174.8	180	0	0	0	0	109	Y270 P272 G598 V599 K609 L619	Y270-V607 HydrophobicContact CD1-CB 4.32Å; Y270-V607 HydrophobicContact CD1-CG1 3.93Å; Y270-V607 HydrophobicContact CD1-CG2 4.17Å; Y270-V607 HydrophobicContact CE1-CG1 4.05Å; P272-V607 HydrophobicContact CG-CG2 4.02Å; G598-V607 PolarHBondContact N-O 2.99Å; V599-V607 HydrophobicContact CG2-CB 3.85Å; V599-V607 HydrophobicContact CG2-CG1 4.39Å; V599-V607 PolarHBondContact N-O 2.97Å; V599-V607 PolarHBondContact O-N 2.99Å; V607-K609 HydrophobicContact CG1-CG 4.34Å; V607-L619 HydrophobicContact CG1-CD2 3.81Å
608	W	91.8	Very high	88.6	Confident	61 Å²	61	59.2 Å²	59.2	23%	0.231	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	133.5	173.1	-62.8	92.3	0	0	0	108.5	P596 A597 C620 T625 G627	P596-W608 CarbonylContact O-C 3.53Å; A597-W608 HydrophobicContact CB-CE3 3.75Å; A597-W608 HydrophobicContact CB-CZ3 3.83Å; W608-C620 HydrophobicContact CB-CB 3.99Å; W608-C620 WeakPolarHBondContact O-CB 3.39Å; W608-C620 PolarHBondContact O-N 3.02Å; W608-C620 PolarHBondContact O-SG 3.33Å; W608-T625 PolarHBondContact NE1-O 3.22Å; W608-T625 VanDerWaalsContact NE1-O 3.12Å; W608-G627 VanDerWaalsContact CD2-CA 3.42Å; W608-G627 VanDerWaalsContact CE3-CA 3.46Å
609	K	92.9	Very high	88.9	Confident	11 Å²	11	61.9 Å²	61.9	5%	0.048	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	152.2	174.4	-60.3	-157.8	-170.6	-178.4	0	111.3	Y270 Y275 D587 C595 P596 V607 C617 H618 L619	Y270-K609 WeakPolarHBondContact OH-CE 3.31Å; Y270-K609 PolarHBondContact OH-NZ 2.84Å; Y275-K609 VanDerWaalsContact CD1-NZ 3.25Å; D587-K609 VanDerWaalsContact OD1-CD 3.28Å; D587-K609 WeakPolarHBondContact OD1-CD 3.44Å; D587-K609 WeakPolarHBondContact OD1-CE 3.04Å; D587-K609 IonicContact OD1-NZ 2.69Å; D587-K609 PolarHBondContact OD1-NZ 3Å; D587-K609 IonicContact OD2-NZ 2.87Å; C595-K609 HydrophobicContact CB-CB 3.97Å; P596-K609 HydrophobicContact CG-CD 4.41Å; P596-K609 PolarHBondContact O-N 2.93Å; V607-K609 HydrophobicContact CG1-CG 4.34Å; K609-C617 HydrophobicContact CB-CB 4.35Å; K609-C617 HydrophobicContact CD-CB 4.11Å; K609-H618 CarbonylContact C-O 3.57Å; K609-H618 WeakPolarHBondContact CA-O 3.41Å; K609-H618 VanDerWaalsContact CB-O 3.24Å; K609-H618 WeakPolarHBondContact CB-O 2.94Å; K609-L619 HydrophobicContact CD-CD2 4.41Å; K609-L619 HydrophobicContact CG-CD2 4.07Å
610	Y	93	Very high	89.1	Confident	37 Å²	37	60 Å²	60	15%	0.145	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	154	172.6	71.9	-82.8	0	0	0	109.6	C617 H618 C628 G630 P631	Y610-C617 CarbonylContact O-C 3.51Å; Y610-C617 WeakPolarHBondContact O-CA 3.17Å; Y610-H618 HydrophobicContact CD1-CB 4.32Å; Y610-H618 WeakPolarHBondContact CD1-O 3.43Å; Y610-H618 HydrophobicContact CE1-CB 3.65Å; Y610-H618 HydrophobicContact CE2-CB 4.32Å; Y610-H618 PolarHBondContact N-O 3.18Å; Y610-H618 PolarHBondContact O-N 2.96Å; Y610-C628 WeakPolarHBondContact CD1-SG 3.34Å; Y610-G630 VanDerWaalsContact CD2-CA 3.48Å; Y610-P631 WeakPolarHBondContact OH-CB 3.17Å
611	A	94.5	Very high	89.5	Confident	38 Å²	38	60.8 Å²	60.8	31%	0.314	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	137.1	173	0	0	0	0	0	111	Y585 V616	Y585-A611 HydrophobicContact CD1-CB 3.44Å; Y585-A611 VanDerWaalsContact CD1-CB 3.44Å; Y585-A611 HydrophobicContact CE1-CB 3.39Å; A611-V616 WeakPolarHBondContact CA-O 3.41Å
612	D	92.7	Very high	89.5	Confident	59 Å²	59	66.6 Å²	66.6	32%	0.316	38%	0.381	S	S	.	.			trans	-84.3	-177.5	166.3	72.8	11.4	0	0	0	112.6	G614 H615 V616 H618	D612-G614 PolarHBondContact O-N 2.83Å; D612-G614 VanDerWaalsContact OD1-C 3.27Å; D612-G614 VanDerWaalsContact OD1-CA 3.25Å; D612-G614 WeakPolarHBondContact OD1-CA 3.12Å; D612-G614 PolarHBondContact OD1-N 2.87Å; D612-H615 PolarHBondContact O-N 3.21Å; D612-H615 PolarHBondContact OD1-N 3.23Å; D612-H615 VanDerWaalsContact OD1-N 3.1Å; D612-V616 PolarHBondContact N-O 3.36Å; D612-V616 PolarHBondContact OD1-N 3.47Å; D612-H618 IonicContact OD2-CD2 2.64Å; D612-H618 PolarHBondContact OD2-CD2 3.17Å; D612-H618 IonicContact OD2-CE1 3.29Å; D612-H618 IonicContact OD2-NE2 3.25Å; D612-H618 PolarHBondContact OD2-NE2 3.31Å
613	A	90.1	Very high	89.7	Confident	107 Å²	107	67.7 Å²	67.7	88%	0.884	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-10.5	178.1	0	0	0	0	0	114.3
614	G	90.6	Very high	90	Very high	49 Å²	49	61.1 Å²	61.1	51%	0.505	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96	9	169.1	0	0	0	0	0	113	D612 V616	D612-G614 PolarHBondContact O-N 2.83Å; D612-G614 VanDerWaalsContact OD1-C 3.27Å; D612-G614 VanDerWaalsContact OD1-CA 3.25Å; D612-G614 WeakPolarHBondContact OD1-CA 3.12Å; D612-G614 PolarHBondContact OD1-N 2.87Å; G614-V616 PolarHBondContact O-N 2.73Å
615	H	92.7	Very high	90.3	Very high	97 Å²	97	58.9 Å²	58.9	45%	0.449	35%	0.346	S	S	.	.			trans	62.8	20.7	-175	-60.4	-101.3	0	0	0	114.8	H584 Y585 I586 D612	H584-H615 WeakPolarHBondContact O-CB 3.32Å; H584-H615 PolarHBondContact O-ND1 3.27Å; Y585-H615 CarbonylContact C-O 3.44Å; Y585-H615 VanDerWaalsContact CA-O 3.26Å; Y585-H615 WeakPolarHBondContact CA-O 3.39Å; Y585-H615 WeakPolarHBondContact CB-O 3.4Å; Y585-H615 HydrophobicContact CD1-CB 3.76Å; Y585-H615 AromaticContact CD1-ND1 3.73Å; Y585-H615 HydrophobicContact CE1-CB 4.33Å; Y585-H615 AromaticContact CE1-ND1 3.44Å; Y585-H615 WeakPolarHBondContact CE1-ND1 3.29Å; I586-H615 PolarHBondContact N-O 3.24Å; D612-H615 PolarHBondContact O-N 3.21Å; D612-H615 PolarHBondContact OD1-N 3.23Å; D612-H615 VanDerWaalsContact OD1-N 3.1Å
616	V	95.4	Very high	90.4	Very high	48 Å²	48	65.2 Å²	65.2	29%	0.291	36%	0.363	S	S	.	.	B	Isolated β-bridge	trans	-87.5	135.9	176.6	-175.5	0	0	0	0	110.3	I586 A611 D612 G614 H618	I586-V616 HydrophobicContact CB-CG2 4.48Å; I586-V616 HydrophobicContact CD1-CG2 4.45Å; A611-V616 WeakPolarHBondContact CA-O 3.41Å; D612-V616 PolarHBondContact N-O 3.36Å; D612-V616 PolarHBondContact OD1-N 3.47Å; G614-V616 PolarHBondContact O-N 2.73Å; V616-H618 PolarHBondContact O-CD2 3.32Å
617	C	94.9	Very high	90.5	Very high	1 Å²	1	61.9 Å²	61.9	1%	0.007	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	107.6	-177.2	-63.5	0	0	0	0	112.2	I586 D587 C595 K609 Y610	I586-C617 WeakPolarHBondContact O-CB 3.25Å; I586-C617 PolarHBondContact O-N 3.34Å; D587-C617 HydrophobicContact CB-CB 4.02Å; D587-C617 WeakPolarHBondContact OD1-CB 3.35Å; C595-C617 WeakPolarHBondContact CA-SG 3.08Å; C595-C617 HydrophobicContact CB-CB 3.68Å; C595-C617 WeakPolarHBondContact CB-SG 3.34Å; C595-C617 VanDerWaalsContact SG-CA 3.51Å; C595-C617 WeakPolarHBondContact SG-CB 3.31Å; C595-C617 CovalentContact SG-SG 2.04Å; C595-C617 PolarHBondContact SG-SG 3.24Å; K609-C617 HydrophobicContact CB-CB 4.35Å; K609-C617 HydrophobicContact CD-CB 4.11Å; Y610-C617 CarbonylContact O-C 3.51Å; Y610-C617 WeakPolarHBondContact O-CA 3.17Å
618	H	93.5	Very high	90.5	Very high	71 Å²	71	62.6 Å²	62.6	33%	0.329	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	149.6	-179.8	-62.7	-83.6	0	0	0	112.1	K609 Y610 D612 V616	K609-H618 CarbonylContact C-O 3.57Å; K609-H618 WeakPolarHBondContact CA-O 3.41Å; K609-H618 VanDerWaalsContact CB-O 3.24Å; K609-H618 WeakPolarHBondContact CB-O 2.94Å; Y610-H618 HydrophobicContact CD1-CB 4.32Å; Y610-H618 WeakPolarHBondContact CD1-O 3.43Å; Y610-H618 HydrophobicContact CE1-CB 3.65Å; Y610-H618 HydrophobicContact CE2-CB 4.32Å; Y610-H618 PolarHBondContact N-O 3.18Å; Y610-H618 PolarHBondContact O-N 2.96Å; D612-H618 IonicContact OD2-CD2 2.64Å; D612-H618 PolarHBondContact OD2-CD2 3.17Å; D612-H618 IonicContact OD2-CE1 3.29Å; D612-H618 IonicContact OD2-NE2 3.25Å; D612-H618 PolarHBondContact OD2-NE2 3.31Å; V616-H618 PolarHBondContact O-CD2 3.32Å
619	L	91.8	Very high	90.3	Very high	86 Å²	86	65.7 Å²	65.7	45%	0.45	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	133.3	178.8	-73.4	160.7	0	0	0	112.5	P272 V607 K609	P272-L619 HydrophobicContact CB-CD1 3.97Å; P272-L619 HydrophobicContact CB-CD2 4.18Å; V607-L619 HydrophobicContact CG1-CD2 3.81Å; K609-L619 HydrophobicContact CD-CD2 4.41Å; K609-L619 HydrophobicContact CG-CD2 4.07Å
620	C	91.1	Very high	90.1	Very high	14 Å²	14	65.5 Å²	65.5	10%	0.095	38%	0.382	C	S	.	.	P	Polyproline II helix	trans	-64	154.9	166.1	-67.8	0	0	0	0	111.2	W608 C624 C628	W608-C620 HydrophobicContact CB-CB 3.99Å; W608-C620 WeakPolarHBondContact O-CB 3.39Å; W608-C620 PolarHBondContact O-N 3.02Å; W608-C620 PolarHBondContact O-SG 3.33Å; C620-C624 HydrophobicContact CB-CB 4.4Å; C620-C628 WeakPolarHBondContact CA-SG 3.44Å; C620-C628 HydrophobicContact CB-CB 3.81Å; C620-C628 WeakPolarHBondContact CB-SG 3.36Å; C620-C628 WeakPolarHBondContact SG-CB 3.31Å; C620-C628 PolarHBondContact SG-N 2.89Å; C620-C628 VanDerWaalsContact SG-N 3.41Å; C620-C628 CovalentContact SG-SG 2.03Å; C620-C628 PolarHBondContact SG-SG 3.13Å
621	H	90.6	Very high	89.9	Confident	66 Å²	66	67.8 Å²	67.8	31%	0.306	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-61	138.1	174.7	-174.7	-54.8	0	0	0	110.6	N623 C624 G632 L633	H621-N623 PolarHBondContact CE1-ND2 3.37Å; H621-N623 VanDerWaalsContact CE1-ND2 3.34Å; H621-N623 PolarHBondContact ND1-N 3.29Å; H621-N623 PolarHBondContact O-N 3.02Å; H621-C624 VanDerWaalsContact O-CB 3.29Å; H621-C624 WeakPolarHBondContact O-CB 3.4Å; H621-C624 PolarHBondContact O-N 3.27Å; H621-C624 PolarHBondContact O-SG 2.79Å; H621-G632 VanDerWaalsContact CB-O 3.26Å; H621-G632 WeakPolarHBondContact CB-O 3.49Å; H621-L633 HydrophobicContact CB-CD2 4.35Å
622	P	86.4	Confident	89.5	Confident	122 Å²	122	67.6 Å²	67.6	79%	0.792	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-4.2	-175.2	-30.8	36.1	0	0	0	118.4
623	N	86.3	Confident	89.1	Confident	102 Å²	102	67.9 Å²	67.9	55%	0.545	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	2.1	177.3	-69.4	-24.2	0	0	0	112.3	H621 T625 L633	H621-N623 PolarHBondContact CE1-ND2 3.37Å; H621-N623 VanDerWaalsContact CE1-ND2 3.34Å; H621-N623 PolarHBondContact ND1-N 3.29Å; H621-N623 PolarHBondContact O-N 3.02Å; N623-T625 PolarHBondContact O-N 2.84Å; N623-L633 HydrophobicContact CB-CD2 3.81Å
624	C	86	Confident	88.6	Confident	13 Å²	13	71.8 Å²	71.8	9%	0.088	40%	0.404	C	S	.	.			trans	-104.5	63	-169	-49.9	0	0	0	0	110.5	C620 H621 Y626 G627 C636	C620-C624 HydrophobicContact CB-CB 4.4Å; H621-C624 VanDerWaalsContact O-CB 3.29Å; H621-C624 WeakPolarHBondContact O-CB 3.4Å; H621-C624 PolarHBondContact O-N 3.27Å; H621-C624 PolarHBondContact O-SG 2.79Å; C624-Y626 PolarHBondContact O-N 2.93Å; C624-G627 PolarHBondContact O-N 3.03Å; C624-C636 HydrophobicContact CB-CB 3.75Å; C624-C636 WeakPolarHBondContact CB-SG 3.41Å; C624-C636 WeakPolarHBondContact SG-CB 3.32Å; C624-C636 CovalentContact SG-SG 2.01Å; C624-C636 PolarHBondContact SG-SG 3.45Å
625	T	83.3	Confident	87.9	Confident	80 Å²	80	70 Å²	70	49%	0.491	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-12.6	-172.4	53.8	0	0	0	0	115.2	W608 N623	W608-T625 PolarHBondContact NE1-O 3.22Å; W608-T625 VanDerWaalsContact NE1-O 3.12Å; N623-T625 PolarHBondContact O-N 2.84Å
626	Y	84.8	Confident	87.3	Confident	212 Å²	212	66 Å²	66	83%	0.831	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.8	18.8	-180	-52.7	-72.2	0	0	0	112.6	C624	C624-Y626 PolarHBondContact O-N 2.93Å
627	G	87.8	Confident	85.6	Confident	18 Å²	18	67.8 Å²	67.8	19%	0.186	39%	0.388	C	S	.	.			trans	91.7	178.7	-178.7	0	0	0	0	0	115.2	W608 C624	W608-G627 VanDerWaalsContact CD2-CA 3.42Å; W608-G627 VanDerWaalsContact CE3-CA 3.46Å; C624-G627 PolarHBondContact O-N 3.03Å
628	C	89.8	Confident	83.5	Confident	22 Å²	22	75.7 Å²	75.7	15%	0.149	42%	0.418	C	S	.	.			trans	-152.5	165	178.3	77.5	0	0	0	0	111	Y610 C620 G630 G635 C636	Y610-C628 WeakPolarHBondContact CD1-SG 3.34Å; C620-C628 WeakPolarHBondContact CA-SG 3.44Å; C620-C628 HydrophobicContact CB-CB 3.81Å; C620-C628 WeakPolarHBondContact CB-SG 3.36Å; C620-C628 WeakPolarHBondContact SG-CB 3.31Å; C620-C628 PolarHBondContact SG-N 2.89Å; C620-C628 VanDerWaalsContact SG-N 3.41Å; C620-C628 CovalentContact SG-SG 2.03Å; C620-C628 PolarHBondContact SG-SG 3.13Å; C628-G630 PolarHBondContact SG-O 2.91Å; C628-G635 WeakPolarHBondContact CA-O 3.37Å; C628-C636 HydrophobicContact CB-CB 4.25Å; C628-C636 WeakPolarHBondContact CB-SG 3.38Å
629	T	88.8	Confident	81.1	Confident	127 Å²	127	80.7 Å²	80.7	78%	0.779	45%	0.447	S	S	*	.	S	Bend	trans	-117.3	15.1	176.5	64.3	0	0	0	0	112.5	G635	T629-G635 PolarHBondContact N-O 3.48Å; T629-G635 PolarHBondContact OG1-O 3.24Å
630	G	87.1	Confident	78.5	Confident	7 Å²	7	78.6 Å²	78.6	7%	0.072	45%	0.446	C	S	.	.	S	Bend	trans	173.2	176.4	-172.5	0	0	0	0	0	112.8	Y610 C628	Y610-G630 VanDerWaalsContact CD2-CA 3.48Å; C628-G630 PolarHBondContact SG-O 2.91Å
631	P	89.6	Confident	76.1	Confident	85 Å²	85	84 Å²	84	55%	0.552	48%	0.481	S	S	*	.	S	Bend	trans	-66.4	159.8	-176.2	25.5	-33.6	0	0	0	114.3	Y610 G635	Y610-P631 WeakPolarHBondContact OH-CB 3.17Å; P631-G635 PolarHBondContact O-N 3.38Å; P631-G635 VanDerWaalsContact O-N 3.1Å
632	G	87.1	Confident	73.5	Confident	34 Å²	34	88.8 Å²	88.8	35%	0.351	50%	0.501	S	S	.	.	T	Hydrogen-bonded Turn	trans	65	-156.9	169.2	0	0	0	0	0	114.3	H621 C636	H621-G632 VanDerWaalsContact CB-O 3.26Å; H621-G632 WeakPolarHBondContact CB-O 3.49Å; G632-C636 PolarHBondContact O-SG 2.89Å
633	L	82.6	Confident	71.1	Confident	64 Å²	64	89.6 Å²	89.6	34%	0.335	50%	0.497	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	1.7	173.5	-66.3	175.8	0	0	0	113.1	H621 N623	H621-L633 HydrophobicContact CB-CD2 4.35Å; N623-L633 HydrophobicContact CB-CD2 3.81Å
634	E	79.7	Confident	69	Low	190 Å²	190	90.8 Å²	90.8	89%	0.888	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97	-43.6	-172.4	-63.7	179.3	175.8	0	0	110.8	C636	E634-C636 PolarHBondContact O-N 3.22Å
635	G	77	Confident	66.7	Low	12 Å²	12	95.2 Å²	95.2	12%	0.124	54%	0.542	C	S	.	.	S	Bend	trans	-68.3	-11.7	167.1	0	0	0	0	0	113.8	C628 T629 P631 A637	C628-G635 WeakPolarHBondContact CA-O 3.37Å; T629-G635 PolarHBondContact N-O 3.48Å; T629-G635 PolarHBondContact OG1-O 3.24Å; P631-G635 PolarHBondContact O-N 3.38Å; P631-G635 VanDerWaalsContact O-N 3.1Å; G635-A637 PolarHBondContact O-N 3.14Å
636	C	79.5	Confident	64.7	Low	12 Å²	12	99.6 Å²	99.6	8%	0.081	56%	0.56	C	S	.	*	S	Bend	trans	-90.2	96.9	170.1	-51.2	0	0	0	0	109.6	C624 C628 G632 E634 R638	C624-C636 HydrophobicContact CB-CB 3.75Å; C624-C636 WeakPolarHBondContact CB-SG 3.41Å; C624-C636 WeakPolarHBondContact SG-CB 3.32Å; C624-C636 CovalentContact SG-SG 2.01Å; C624-C636 PolarHBondContact SG-SG 3.45Å; C628-C636 HydrophobicContact CB-CB 4.25Å; C628-C636 WeakPolarHBondContact CB-SG 3.38Å; G632-C636 PolarHBondContact O-SG 2.89Å; E634-C636 PolarHBondContact O-N 3.22Å; C636-R638 PolarHBondContact O-N 3.37Å
637	A	60.6	Low	62.5	Low	85 Å²	85	92.7 Å²	92.7	70%	0.702	55%	0.547	S	S	*	.			trans	-58.4	87.6	-172	0	0	0	0	0	113.9	G635 N639	G635-A637 PolarHBondContact O-N 3.14Å; A637-N639 PolarHBondContact O-N 3.43Å
638	R	51.1	Low	60.7	Low	167 Å²	167	98.3 Å²	98.3	63%	0.63	58%	0.578	S	S	*	*			trans	-69.8	94.6	164.9	-76.8	-168.4	175.4	-147.2	-0.4	108.8	C636 G640	C636-R638 PolarHBondContact O-N 3.37Å; R638-G640 PolarHBondContact O-N 2.96Å
639	N	41.5	Very low	58.7	Low	177 Å²	177	100.3 Å²	100.3	95%	0.947	60%	0.602	S	S	*	*	S	Bend	trans	-66.4	75.8	158	-81.5	-25.1	0	0	0	109.3	A637	A637-N639 PolarHBondContact O-N 3.43Å
640	G	37.3	Very low	56.8	Low	41 Å²	41	101 Å²	101	42%	0.423	60%	0.598	S	S	.	*	S	Bend	trans	179.7	104.5	-174.3	0	0	0	0	0	108	R638	R638-G640 PolarHBondContact O-N 2.96Å
641	P	40.6	Very low	55.2	Low	128 Å²	128	104.6 Å²	104.6	83%	0.831	62%	0.619	S	S	*	*			trans	-69.4	145.7	-159.7	26.7	-35.7	0	0	0	113.4
642	K	36	Very low	53.5	Low	167 Å²	167	103 Å²	103	73%	0.726	62%	0.617	S	S	*	*			trans	-119.7	129.9	164.8	-75.6	-172.8	173.9	-176.1	0	109.6
643	I	37.4	Very low	51.9	Low	139 Å²	139	104.2 Å²	104.2	71%	0.713	62%	0.624	S	S	*	*			trans	-106.8	126.4	-179.6	-61.2	168.1	0	0	0	108.5
644	P	41.5	Very low	50.9	Low	126 Å²	126	106 Å²	106	82%	0.818	63%	0.633	S	S	*	*			trans	-82.3	118.6	157.7	31.6	-28.1	0	0	0	109.3
645	S	37	Very low	50.3	Low	107 Å²	107	101.9 Å²	101.9	75%	0.748	62%	0.617	S	S	*	*			trans	-88.5	118	-173.7	-65.3	0	0	0	0	113.7
646	I	41.9	Very low	50	Low	171 Å²	171	107.3 Å²	107.3	88%	0.877	64%	0.642	S	S	*	*			trans	-138	151.3	145.5	-59	-174.6	0	0	0	108
647	A	39.5	Very low	49.6	Very low	67 Å²	67	112.1 Å²	112.1	55%	0.554	67%	0.667	S	S	*	*			trans	68.6	72.6	174.5	0	0	0	0	0	116.8	G649	A647-G649 PolarHBondContact O-N 3.05Å
648	T	49.3	Very low	50.2	Low	137 Å²	137	113.4 Å²	113.4	84%	0.84	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.3	7.4	-179.7	-24.6	0	0	0	0	116.9
649	G	46.4	Very low	51.4	Low	63 Å²	63	109.9 Å²	109.9	65%	0.649	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.5	-49.5	-177.5	0	0	0	0	0	114.2	A647 V651	A647-G649 PolarHBondContact O-N 3.05Å; G649-V651 VanDerWaalsContact C-N 3.34Å; G649-V651 PolarHBondContact O-N 2.69Å
650	M	50.7	Low	53.1	Low	142 Å²	142	105.3 Å²	105.3	70%	0.7	64%	0.636	S	S	*	*	H	α-helix	trans	-73.2	-26.4	-171.2	-61.3	-169.3	-65.5	0	0	113.4	G652 A653 L654	M650-G652 VanDerWaalsContact C-N 3.31Å; M650-G652 PolarHBondContact O-N 2.83Å; M650-A653 PolarHBondContact O-N 2.88Å; M650-L654 PolarHBondContact O-N 2.96Å
651	V	52.7	Low	54.6	Low	83 Å²	83	106 Å²	106	50%	0.503	64%	0.638	S	S	.	*	H	α-helix	trans	-62.8	-36	-177.8	-176.7	0	0	0	0	111.6	G649 A653 L654 L655	G649-V651 VanDerWaalsContact C-N 3.34Å; G649-V651 PolarHBondContact O-N 2.69Å; V651-A653 PolarHBondContact O-N 2.78Å; V651-L654 PolarHBondContact O-N 2.87Å; V651-L655 WeakPolarHBondContact O-CB 3.31Å; V651-L655 PolarHBondContact O-N 3.27Å
652	G	53.9	Low	56.3	Low	50 Å²	50	105.5 Å²	105.5	52%	0.515	63%	0.628	S	S	.	*	H	α-helix	trans	-61.8	-45.5	178.7	0	0	0	0	0	113	M650 L656	M650-G652 VanDerWaalsContact C-N 3.31Å; M650-G652 PolarHBondContact O-N 2.83Å; G652-L656 PolarHBondContact O-N 3.12Å
653	A	54.2	Low	58.2	Low	61 Å²	61	99.4 Å²	99.4	50%	0.504	61%	0.612	S	S	.	*	H	α-helix	trans	-68.6	-43.3	176.9	0	0	0	0	0	111.9	M650 V651 L655 L656 L657	M650-A653 PolarHBondContact O-N 2.88Å; V651-A653 PolarHBondContact O-N 2.78Å; A653-L655 VanDerWaalsContact C-N 3.34Å; A653-L655 PolarHBondContact O-N 3.1Å; A653-L656 PolarHBondContact O-N 2.75Å; A653-L657 WeakPolarHBondContact O-CB 3.44Å; A653-L657 WeakPolarHBondContact O-CG 3.46Å; A653-L657 PolarHBondContact O-N 3.34Å
654	L	61.4	Low	59.9	Low	100 Å²	100	97.1 Å²	97.1	52%	0.524	60%	0.601	S	S	.	*	H	α-helix	trans	-65.3	-34.3	176.7	-85.1	163.4	0	0	0	112.9	M650 V651 L658	M650-L654 PolarHBondContact O-N 2.96Å; V651-L654 PolarHBondContact O-N 2.87Å; L654-L658 VanDerWaalsContact O-CB 3.26Å; L654-L658 WeakPolarHBondContact O-CB 3.2Å; L654-L658 WeakPolarHBondContact O-CG 3.36Å; L654-L658 PolarHBondContact O-N 2.84Å
655	L	67.1	Low	61.4	Low	105 Å²	105	92.8 Å²	92.8	55%	0.55	58%	0.579	S	S	.	*	H	α-helix	trans	-76.3	-33.8	178.2	-157	134.1	0	0	0	111.5	V651 A653 L658 V659	V651-L655 WeakPolarHBondContact O-CB 3.31Å; V651-L655 PolarHBondContact O-N 3.27Å; A653-L655 VanDerWaalsContact C-N 3.34Å; A653-L655 PolarHBondContact O-N 3.1Å; L655-L658 PolarHBondContact O-N 3.21Å; L655-V659 HydrophobicContact CD2-CG2 4.31Å; L655-V659 WeakPolarHBondContact O-CB 3.47Å; L655-V659 VanDerWaalsContact O-CG2 3.28Å; L655-V659 WeakPolarHBondContact O-CG2 3.34Å; L655-V659 PolarHBondContact O-N 2.84Å
656	L	70.4	Confident	63	Low	125 Å²	125	92.1 Å²	92.1	65%	0.654	57%	0.566	S	S	*	*	H	α-helix	trans	-64	-46.7	168.9	-159.8	81.5	0	0	0	111.1	G652 A653 L658 V659 V660	G652-L656 PolarHBondContact O-N 3.12Å; A653-L656 PolarHBondContact O-N 2.75Å; L656-L658 PolarHBondContact O-N 3.24Å; L656-V659 PolarHBondContact O-N 3.19Å; L656-V660 WeakPolarHBondContact O-CB 3.09Å; L656-V660 WeakPolarHBondContact O-CG2 3.49Å; L656-V660 PolarHBondContact O-N 3.15Å
657	L	70.4	Confident	64.1	Low	113 Å²	113	89.8 Å²	89.8	59%	0.592	55%	0.55	S	S	*	*	H	α-helix	trans	-62.6	-38.9	175.1	-76.8	168.3	0	0	0	112.3	A653 V660 A661	A653-L657 WeakPolarHBondContact O-CB 3.44Å; A653-L657 WeakPolarHBondContact O-CG 3.46Å; A653-L657 PolarHBondContact O-N 3.34Å; L657-V660 PolarHBondContact O-N 3.22Å; L657-A661 WeakPolarHBondContact O-CB 3.41Å; L657-A661 PolarHBondContact O-N 2.79Å
658	L	73	Confident	65.2	Low	112 Å²	112	92.3 Å²	92.3	59%	0.586	55%	0.552	S	S	*	*	H	α-helix	trans	-68.5	-39	174.9	-83.7	165.7	0	0	0	112.1	L654 L655 L656 A661 L662	L654-L658 VanDerWaalsContact O-CB 3.26Å; L654-L658 WeakPolarHBondContact O-CB 3.2Å; L654-L658 WeakPolarHBondContact O-CG 3.36Å; L654-L658 PolarHBondContact O-N 2.84Å; L655-L658 PolarHBondContact O-N 3.21Å; L656-L658 PolarHBondContact O-N 3.24Å; L658-A661 PolarHBondContact O-N 2.84Å; L658-L662 VanDerWaalsContact O-CB 3.25Å; L658-L662 WeakPolarHBondContact O-CB 3.09Å; L658-L662 PolarHBondContact O-N 2.94Å
659	V	76	Confident	65.9	Low	94 Å²	94	94 Å²	94	57%	0.57	54%	0.543	S	S	*	.	H	α-helix	trans	-67.8	-37.7	174.6	169	0	0	0	0	111	L655 L656 G663	L655-V659 HydrophobicContact CD2-CG2 4.31Å; L655-V659 WeakPolarHBondContact O-CB 3.47Å; L655-V659 VanDerWaalsContact O-CG2 3.28Å; L655-V659 WeakPolarHBondContact O-CG2 3.34Å; L655-V659 PolarHBondContact O-N 2.84Å; L656-V659 PolarHBondContact O-N 3.19Å; V659-G663 PolarHBondContact O-N 3.34Å
660	V	77.3	Confident	66.5	Low	80 Å²	80	100.2 Å²	100.2	49%	0.485	55%	0.547	S	S	.	.	H	α-helix	trans	-66.1	-43.8	171.8	169.9	0	0	0	0	111.1	L656 L657 G663 I664	L656-V660 WeakPolarHBondContact O-CB 3.09Å; L656-V660 WeakPolarHBondContact O-CG2 3.49Å; L656-V660 PolarHBondContact O-N 3.15Å; L657-V660 PolarHBondContact O-N 3.22Å; V660-G663 CarbonylContact O-C 3.59Å; V660-G663 PolarHBondContact O-N 2.96Å; V660-I664 HydrophobicContact CG1-CD1 3.78Å; V660-I664 HydrophobicContact CG1-CG1 4.44Å; V660-I664 WeakPolarHBondContact O-CB 3.03Å; V660-I664 VanDerWaalsContact O-CG1 3.28Å; V660-I664 WeakPolarHBondContact O-CG1 3.37Å; V660-I664 PolarHBondContact O-N 2.97Å
661	A	70.6	Confident	66.5	Low	56 Å²	56	101 Å²	101	46%	0.463	54%	0.542	S	S	.	.	H	α-helix	trans	-68.6	-33.2	177.4	0	0	0	0	0	112.8	L657 L658 G665	L657-A661 WeakPolarHBondContact O-CB 3.41Å; L657-A661 PolarHBondContact O-N 2.79Å; L658-A661 PolarHBondContact O-N 2.84Å; A661-G665 WeakPolarHBondContact O-CA 3.4Å; A661-G665 PolarHBondContact O-N 3.34Å
662	L	74.6	Confident	66.5	Low	117 Å²	117	103 Å²	103	61%	0.613	55%	0.546	S	S	*	.	H	α-helix	trans	-73.2	-35.4	171.6	-147.2	83.6	0	0	0	110.8	L658 G665 L666	L658-L662 VanDerWaalsContact O-CB 3.25Å; L658-L662 WeakPolarHBondContact O-CB 3.09Å; L658-L662 PolarHBondContact O-N 2.94Å; L662-G665 PolarHBondContact O-N 3.41Å; L662-L666 HydrophobicContact CD2-CD1 4.37Å; L662-L666 HydrophobicContact CG-CD1 4.37Å; L662-L666 WeakPolarHBondContact O-CB 3.44Å; L662-L666 WeakPolarHBondContact O-CG 3.27Å; L662-L666 PolarHBondContact O-N 3.43Å
663	G	76.5	Confident	66.6	Low	39 Å²	39	104.2 Å²	104.2	40%	0.402	54%	0.539	S	S	.	.	H	α-helix	trans	-62.5	-48	171.4	0	0	0	0	0	111.9	V659 V660 L666 F667	V659-G663 PolarHBondContact O-N 3.34Å; V660-G663 CarbonylContact O-C 3.59Å; V660-G663 PolarHBondContact O-N 2.96Å; G663-L666 PolarHBondContact O-N 3.02Å; G663-F667 WeakPolarHBondContact O-CB 3.4Å; G663-F667 PolarHBondContact O-N 2.57Å
664	I	73.6	Confident	66.6	Low	91 Å²	91	105.3 Å²	105.3	47%	0.467	54%	0.54	S	S	.	.	H	α-helix	trans	-62.9	-44.5	172.5	-68.8	166.2	0	0	0	110.2	V660 L666 F667 M668	V660-I664 HydrophobicContact CG1-CD1 3.78Å; V660-I664 HydrophobicContact CG1-CG1 4.44Å; V660-I664 WeakPolarHBondContact O-CB 3.03Å; V660-I664 VanDerWaalsContact O-CG1 3.28Å; V660-I664 WeakPolarHBondContact O-CG1 3.37Å; V660-I664 PolarHBondContact O-N 2.97Å; I664-L666 PolarHBondContact O-N 3.4Å; I664-F667 CarbonylContact O-C 3.59Å; I664-F667 PolarHBondContact O-N 2.78Å; I664-M668 HydrophobicContact CG2-CG 4.21Å; I664-M668 HydrophobicContact CG2-SD 3.81Å; I664-M668 WeakPolarHBondContact O-CB 3.31Å; I664-M668 VanDerWaalsContact O-CG 3.28Å; I664-M668 WeakPolarHBondContact O-CG 3.48Å; I664-M668 PolarHBondContact O-N 3.18Å
665	G	72.8	Confident	66	Low	35 Å²	35	104.3 Å²	104.3	36%	0.361	53%	0.529	S	S	.	.	H	α-helix	trans	-63.9	-39.3	178.2	0	0	0	0	0	113	A661 L662 R669	A661-G665 WeakPolarHBondContact O-CA 3.4Å; A661-G665 PolarHBondContact O-N 3.34Å; L662-G665 PolarHBondContact O-N 3.41Å; G665-R669 WeakPolarHBondContact O-CB 3.45Å; G665-R669 PolarHBondContact O-N 2.87Å
666	L	71.4	Confident	65.3	Low	93 Å²	93	103.6 Å²	103.6	49%	0.487	52%	0.521	S	S	.	.	H	α-helix	trans	-74.1	-31.6	173.2	-71.5	168.3	0	0	0	112	L662 G663 I664 R670	L662-L666 HydrophobicContact CD2-CD1 4.37Å; L662-L666 HydrophobicContact CG-CD1 4.37Å; L662-L666 WeakPolarHBondContact O-CB 3.44Å; L662-L666 WeakPolarHBondContact O-CG 3.27Å; L662-L666 PolarHBondContact O-N 3.43Å; G663-L666 PolarHBondContact O-N 3.02Å; I664-L666 PolarHBondContact O-N 3.4Å; L666-R670 VanDerWaalsContact O-CB 3.24Å; L666-R670 WeakPolarHBondContact O-CB 3.29Å; L666-R670 VanDerWaalsContact O-CG 3.29Å; L666-R670 WeakPolarHBondContact O-CG 3.45Å; L666-R670 PolarHBondContact O-N 2.67Å
667	F	63.9	Low	64.2	Low	123 Å²	123	105.7 Å²	105.7	54%	0.539	52%	0.521	S	S	.	.	H	α-helix	trans	-69.9	-42.4	172.2	-179.4	-98.9	0	0	0	111.7	G663 I664 R670 R671	G663-F667 WeakPolarHBondContact O-CB 3.4Å; G663-F667 PolarHBondContact O-N 2.57Å; I664-F667 CarbonylContact O-C 3.59Å; I664-F667 PolarHBondContact O-N 2.78Å; F667-R670 PolarHBondContact O-N 3.39Å; F667-R671 HydrophobicContact CE1-CG 4.45Å; F667-R671 WeakPolarHBondContact O-CB 3.33Å; F667-R671 PolarHBondContact O-N 2.78Å
668	M	62.7	Low	62.9	Low	119 Å²	119	102 Å²	102	59%	0.586	50%	0.503	S	S	*	.	H	α-helix	trans	-65.6	-45.8	172.4	-73.3	178.5	76.8	0	0	110.6	I664 R670 R671 H672	I664-M668 HydrophobicContact CG2-CG 4.21Å; I664-M668 HydrophobicContact CG2-SD 3.81Å; I664-M668 WeakPolarHBondContact O-CB 3.31Å; I664-M668 VanDerWaalsContact O-CG 3.28Å; I664-M668 WeakPolarHBondContact O-CG 3.48Å; I664-M668 PolarHBondContact O-N 3.18Å; M668-R670 VanDerWaalsContact C-N 3.33Å; M668-R670 PolarHBondContact O-N 3.42Å; M668-R671 CarbonylContact O-C 3.49Å; M668-R671 WeakPolarHBondContact O-CB 3.26Å; M668-R671 PolarHBondContact O-N 2.88Å; M668-R671 VanDerWaalsContact O-N 3.16Å; M668-H672 VanDerWaalsContact O-CB 3.28Å; M668-H672 WeakPolarHBondContact O-CB 3.38Å; M668-H672 PolarHBondContact O-N 2.8Å
669	R	63.4	Low	61.5	Low	174 Å²	174	98.2 Å²	98.2	66%	0.657	48%	0.483	S	S	*	.	H	α-helix	trans	-62.7	-37.4	174.1	-169.6	174.3	-177.6	-176.6	1.7	111.7	G665 H672 I673	G665-R669 WeakPolarHBondContact O-CB 3.45Å; G665-R669 PolarHBondContact O-N 2.87Å; R669-H672 PolarHBondContact O-N 2.87Å; R669-I673 HydrophobicContact CG-CD1 3.97Å; R669-I673 VanDerWaalsContact O-CB 3.31Å; R669-I673 WeakPolarHBondContact O-CB 3.5Å; R669-I673 WeakPolarHBondContact O-CD1 3.37Å; R669-I673 WeakPolarHBondContact O-CG1 3.21Å; R669-I673 PolarHBondContact O-N 2.97Å
670	R	59.1	Low	60.1	Low	193 Å²	193	101.2 Å²	101.2	73%	0.728	48%	0.484	S	S	*	.	H	α-helix	trans	-64.1	-48.6	169.1	-82.9	-179	171.3	-165.7	-1.5	111.5	L666 F667 M668 H672 I673 V674	L666-R670 VanDerWaalsContact O-CB 3.24Å; L666-R670 WeakPolarHBondContact O-CB 3.29Å; L666-R670 VanDerWaalsContact O-CG 3.29Å; L666-R670 WeakPolarHBondContact O-CG 3.45Å; L666-R670 PolarHBondContact O-N 2.67Å; F667-R670 PolarHBondContact O-N 3.39Å; M668-R670 VanDerWaalsContact C-N 3.33Å; M668-R670 PolarHBondContact O-N 3.42Å; R670-H672 VanDerWaalsContact C-N 3.27Å; R670-H672 PolarHBondContact O-N 2.86Å; R670-I673 PolarHBondContact O-N 2.84Å; R670-V674 WeakPolarHBondContact O-CB 3.32Å; R670-V674 VanDerWaalsContact O-CG2 3.25Å; R670-V674 WeakPolarHBondContact O-CG2 3.42Å; R670-V674 PolarHBondContact O-N 2.95Å
671	R	51.8	Low	58.6	Low	158 Å²	158	105.7 Å²	105.7	60%	0.596	49%	0.492	S	S	*	.	H	α-helix	trans	-55.2	-41.2	174	-104.1	-173	175.7	-171.1	2.5	111.9	F667 M668 V674 R675	F667-R671 HydrophobicContact CE1-CG 4.45Å; F667-R671 WeakPolarHBondContact O-CB 3.33Å; F667-R671 PolarHBondContact O-N 2.78Å; M668-R671 CarbonylContact O-C 3.49Å; M668-R671 WeakPolarHBondContact O-CB 3.26Å; M668-R671 PolarHBondContact O-N 2.88Å; M668-R671 VanDerWaalsContact O-N 3.16Å; R671-V674 PolarHBondContact O-N 2.98Å; R671-R675 WeakPolarHBondContact O-CB 3.37Å; R671-R675 PolarHBondContact O-N 3.41Å
672	H	53.5	Low	57.4	Low	126 Å²	126	103.9 Å²	103.9	58%	0.583	48%	0.475	S	S	*	.	H	α-helix	trans	-75.3	-36.6	-177.9	-159.1	-39.9	0	0	0	112.1	M668 R669 R670 K676	M668-H672 VanDerWaalsContact O-CB 3.28Å; M668-H672 WeakPolarHBondContact O-CB 3.38Å; M668-H672 PolarHBondContact O-N 2.8Å; R669-H672 PolarHBondContact O-N 2.87Å; R670-H672 VanDerWaalsContact C-N 3.27Å; R670-H672 PolarHBondContact O-N 2.86Å; H672-K676 VanDerWaalsContact O-CB 3.3Å; H672-K676 WeakPolarHBondContact O-CB 3.3Å; H672-K676 PolarHBondContact O-N 3.12Å
673	I	55.8	Low	55.8	Low	74 Å²	74	102.4 Å²	102.4	38%	0.379	47%	0.467	S	S	.	.	H	α-helix	trans	-69.9	-35.2	170.9	-71.2	167.4	0	0	0	110.9	R669 R670 K676 R677	R669-I673 HydrophobicContact CG-CD1 3.97Å; R669-I673 VanDerWaalsContact O-CB 3.31Å; R669-I673 WeakPolarHBondContact O-CB 3.5Å; R669-I673 WeakPolarHBondContact O-CD1 3.37Å; R669-I673 WeakPolarHBondContact O-CG1 3.21Å; R669-I673 PolarHBondContact O-N 2.97Å; R670-I673 PolarHBondContact O-N 2.84Å; I673-K676 CarbonylContact O-C 3.57Å; I673-R677 WeakPolarHBondContact O-CB 3.41Å; I673-R677 WeakPolarHBondContact O-CD 3.45Å; I673-R677 WeakPolarHBondContact O-CG 3.28Å; I673-R677 PolarHBondContact O-N 2.83Å; I673-R677 VanDerWaalsContact O-N 3.13Å
674	V	52.8	Low	54.1	Low	84 Å²	84	107.6 Å²	107.6	51%	0.509	48%	0.481	S	S	.	.	H	α-helix	trans	-68.2	-51.9	173.4	169.3	0	0	0	0	110.3	R670 R671 K676 R677 T678	R670-V674 WeakPolarHBondContact O-CB 3.32Å; R670-V674 VanDerWaalsContact O-CG2 3.25Å; R670-V674 WeakPolarHBondContact O-CG2 3.42Å; R670-V674 PolarHBondContact O-N 2.95Å; R671-V674 PolarHBondContact O-N 2.98Å; V674-K676 VanDerWaalsContact C-N 3.31Å; V674-K676 PolarHBondContact O-N 2.03Å; V674-R677 CarbonylContact O-C 3.6Å; V674-R677 WeakPolarHBondContact O-CA 2.99Å; V674-R677 WeakPolarHBondContact O-CB 3.03Å; V674-R677 PolarHBondContact O-N 3.16Å; V674-T678 PolarHBondContact O-N 3.13Å; V674-T678 PolarHBondContact O-OG1 3.44Å
675	R	48.7	Very low	52.5	Low	79 Å²	79	109.3 Å²	109.3	30%	0.298	49%	0.487	S	S	.	.	H	α-helix	trans	-49.7	-49	171.3	-86.4	-178.2	159.8	169.2	-3.3	111.6	R671 R677 T678 L679 K737 D1009	R671-R675 WeakPolarHBondContact O-CB 3.37Å; R671-R675 PolarHBondContact O-N 3.41Å; R675-R677 PolarHBondContact O-N 2.86Å; R675-T678 PolarHBondContact O-N 3.07Å; R675-T678 PolarHBondContact O-OG1 3.36Å; R675-L679 WeakPolarHBondContact O-CB 3.42Å; R675-L679 PolarHBondContact O-N 2.96Å; R675-K737 VanDerWaalsContact CZ-O 3.31Å; R675-K737 PolarHBondContact NE-O 3.12Å; R675-K737 PolarHBondContact NH2-O 2.95Å; R675-D1009 IonicContact CZ-OD1 3.84Å; R675-D1009 IonicContact CZ-OD2 2.68Å; R675-D1009 IonicContact NH1-OD1 2.7Å; R675-D1009 PolarHBondContact NH1-OD1 3.33Å; R675-D1009 IonicContact NH1-OD2 3.54Å; R675-D1009 PolarHBondContact NH1-OD2 3.46Å; R675-D1009 IonicContact NH2-OD1 3.94Å; R675-D1009 PolarHBondContact NH2-OD1 3.25Å; R675-D1009 IonicContact NH2-OD2 2.69Å; R675-D1009 PolarHBondContact NH2-OD2 3.03Å
676	K	52.7	Low	51	Low	91 Å²	91	116.7 Å²	116.7	40%	0.396	50%	0.504	S	S	.	.	H	α-helix	trans	-78	8.1	178.9	-155.1	159.5	-173.7	162.9	0	114.3	H672 I673 V674 R680	H672-K676 VanDerWaalsContact O-CB 3.3Å; H672-K676 WeakPolarHBondContact O-CB 3.3Å; H672-K676 PolarHBondContact O-N 3.12Å; I673-K676 CarbonylContact O-C 3.57Å; V674-K676 VanDerWaalsContact C-N 3.31Å; V674-K676 PolarHBondContact O-N 2.03Å; K676-R680 PolarHBondContact O-NE 3.42Å; K676-R680 PolarHBondContact O-NH2 2.88Å
677	R	48.7	Very low	49.2	Very low	168 Å²	168	121.1 Å²	121.1	63%	0.634	52%	0.522	S	S	*	.	H	α-helix	trans	-111.6	-41.2	167.9	-78.6	172	-179.8	-172.5	-0.2	111.7	I673 V674 R675 L679 R680 R681	I673-R677 WeakPolarHBondContact O-CB 3.41Å; I673-R677 WeakPolarHBondContact O-CD 3.45Å; I673-R677 WeakPolarHBondContact O-CG 3.28Å; I673-R677 PolarHBondContact O-N 2.83Å; I673-R677 VanDerWaalsContact O-N 3.13Å; V674-R677 CarbonylContact O-C 3.6Å; V674-R677 WeakPolarHBondContact O-CA 2.99Å; V674-R677 WeakPolarHBondContact O-CB 3.03Å; V674-R677 PolarHBondContact O-N 3.16Å; R675-R677 PolarHBondContact O-N 2.86Å; R677-L679 VanDerWaalsContact C-N 3.35Å; R677-R680 PolarHBondContact O-N 2.76Å; R677-R681 PolarHBondContact O-N 2.93Å
678	T	42.5	Very low	47.8	Very low	35 Å²	35	122.2 Å²	122.2	22%	0.215	53%	0.533	C	S	.	.	H	α-helix	trans	-63	-41.2	171.5	45.9	0	0	0	0	111.7	V674 R675 R680 R681 L682 E736	V674-T678 PolarHBondContact O-N 3.13Å; V674-T678 PolarHBondContact O-OG1 3.44Å; R675-T678 PolarHBondContact O-N 3.07Å; R675-T678 PolarHBondContact O-OG1 3.36Å; T678-R680 PolarHBondContact O-N 2.78Å; T678-R681 WeakPolarHBondContact O-CA 3.3Å; T678-R681 WeakPolarHBondContact O-CB 3.08Å; T678-R681 PolarHBondContact O-N 3.09Å; T678-L682 WeakPolarHBondContact O-CG 3.44Å; T678-L682 PolarHBondContact O-N 3.01Å; T678-L682 VanDerWaalsContact O-N 3.07Å; T678-E736 WeakPolarHBondContact CB-OE1 3.26Å; T678-E736 VanDerWaalsContact CB-OE2 3.29Å; T678-E736 WeakPolarHBondContact CB-OE2 3.49Å; T678-E736 WeakPolarHBondContact CG2-OE1 3.36Å; T678-E736 PolarHBondContact OG1-OE2 3.19Å
679	L	44.2	Very low	46.5	Very low	34 Å²	34	122.3 Å²	122.3	18%	0.178	54%	0.54	C	S	.	.	H	α-helix	trans	-39.9	-45.9	168.2	-118.5	69.7	0	0	0	113.4	R675 R677 L682 L683 V738 Y1016	R675-L679 WeakPolarHBondContact O-CB 3.42Å; R675-L679 PolarHBondContact O-N 2.96Å; R677-L679 VanDerWaalsContact C-N 3.35Å; L679-L682 PolarHBondContact O-N 3.19Å; L679-L683 PolarHBondContact O-N 2.6Å; L679-V738 HydrophobicContact CD1-CG1 4.45Å; L679-V738 HydrophobicContact CD1-CG2 3.82Å; L679-Y1016 HydrophobicContact CD1-CD2 4.33Å; L679-Y1016 HydrophobicContact CD1-CE2 3.49Å; L679-Y1016 VanDerWaalsContact CD1-CE2 3.49Å; L679-Y1016 HydrophobicContact CD2-CD2 4.09Å; L679-Y1016 HydrophobicContact CD2-CE2 3.97Å; L679-Y1016 HydrophobicContact CG-CD2 4.08Å; L679-Y1016 HydrophobicContact CG-CE2 3.45Å; L679-Y1016 VanDerWaalsContact CG-CE2 3.45Å
680	R	46.1	Very low	45.1	Very low	157 Å²	157	121.7 Å²	121.7	59%	0.592	54%	0.544	S	S	*	.	H	α-helix	trans	-80.5	-16	-176.6	-87.9	-179	-78.4	-168.8	-7.6	114.2	K676 R677 T678 Q684	K676-R680 PolarHBondContact O-NE 3.42Å; K676-R680 PolarHBondContact O-NH2 2.88Å; R677-R680 PolarHBondContact O-N 2.76Å; T678-R680 PolarHBondContact O-N 2.78Å; R680-Q684 VanDerWaalsContact O-CB 3.24Å; R680-Q684 WeakPolarHBondContact O-CB 3.44Å
681	R	45.9	Very low	44	Very low	173 Å²	173	118.2 Å²	118.2	65%	0.653	55%	0.547	S	S	*	.	H	α-helix	trans	-76.6	-47.3	164.6	-88.2	-173.5	167.1	175.3	-8.9	111.2	R677 T678 L683 Q684 E685	R677-R681 PolarHBondContact O-N 2.93Å; T678-R681 WeakPolarHBondContact O-CA 3.3Å; T678-R681 WeakPolarHBondContact O-CB 3.08Å; T678-R681 PolarHBondContact O-N 3.09Å; R681-L683 PolarHBondContact O-N 3.45Å; R681-L683 VanDerWaalsContact O-N 3.12Å; R681-Q684 CarbonylContact O-C 3.55Å; R681-Q684 WeakPolarHBondContact O-CA 3.38Å; R681-Q684 PolarHBondContact O-N 2.88Å; R681-E685 PolarHBondContact O-N 3.33Å
682	L	43.9	Very low	43.1	Very low	19 Å²	19	118.5 Å²	118.5	10%	0.099	56%	0.559	C	S	.	*	H	α-helix	trans	-61.3	-25	-176	-58	162.6	0	0	0	114.7	T678 L679 R705 P733 E736 Y1016	T678-L682 WeakPolarHBondContact O-CG 3.44Å; T678-L682 PolarHBondContact O-N 3.01Å; T678-L682 VanDerWaalsContact O-N 3.07Å; L679-L682 PolarHBondContact O-N 3.19Å; L682-R705 PolarHBondContact O-NH1 3.27Å; L682-P733 HydrophobicContact CD1-CB 4.46Å; L682-P733 HydrophobicContact CD2-CB 4.32Å; L682-E736 HydrophobicContact CD1-CB 4.2Å; L682-E736 HydrophobicContact CD1-CG 3.49Å; L682-E736 VanDerWaalsContact CD1-CG 3.49Å; L682-E736 HydrophobicContact CD2-CG 3.66Å; L682-E736 HydrophobicContact CG-CG 4.07Å; L682-Y1016 WeakPolarHBondContact CD1-OH 3.34Å
683	L	41.9	Very low	42.4	Very low	86 Å²	86	117.7 Å²	117.7	45%	0.45	56%	0.563	S	S	.	*	T	Hydrogen-bonded Turn	trans	-91.2	-4.5	175.6	-74	164.9	0	0	0	113.5	L679 R681 Y1016	L679-L683 PolarHBondContact O-N 2.6Å; R681-L683 PolarHBondContact O-N 3.45Å; R681-L683 VanDerWaalsContact O-N 3.12Å; L683-Y1016 HydrophobicContact CD1-CD1 3.97Å; L683-Y1016 HydrophobicContact CD1-CE1 3.78Å; L683-Y1016 WeakPolarHBondContact CD1-O 3.45Å; L683-Y1016 HydrophobicContact CD2-CD1 4.05Å; L683-Y1016 HydrophobicContact CD2-CE1 3.8Å; L683-Y1016 HydrophobicContact CG-CD1 4.28Å; L683-Y1016 HydrophobicContact CG-CE1 3.76Å
684	Q	41.3	Very low	41.6	Very low	147 Å²	147	120.5 Å²	120.5	69%	0.687	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129.4	-19.3	-170	-160.7	165.7	11.7	0	0	113.6	R680 R681 R686	R680-Q684 VanDerWaalsContact O-CB 3.24Å; R680-Q684 WeakPolarHBondContact O-CB 3.44Å; R681-Q684 CarbonylContact O-C 3.55Å; R681-Q684 WeakPolarHBondContact O-CA 3.38Å; R681-Q684 PolarHBondContact O-N 2.88Å; Q684-R686 PolarHBondContact O-N 3.38Å; Q684-R686 VanDerWaalsContact O-N 3.08Å
685	E	38.3	Very low	41	Very low	128 Å²	128	121.1 Å²	121.1	60%	0.598	60%	0.595	S	S	*	*			trans	-69.8	97.9	164.2	-80.2	166.5	-177.3	0	0	109.2	R681	R681-E685 PolarHBondContact O-N 3.33Å
686	R	42.7	Very low	40.7	Very low	189 Å²	189	121.5 Å²	121.5	71%	0.713	62%	0.623	S	S	*	*			trans	-101	96.2	176.4	-67.1	169.6	176	-175.7	-3.4	108.3	Q684 L703	Q684-R686 PolarHBondContact O-N 3.38Å; Q684-R686 VanDerWaalsContact O-N 3.08Å; R686-L703 HydrophobicContact CB-CD2 4.12Å; R686-L703 HydrophobicContact CG-CD1 4.27Å; R686-L703 HydrophobicContact CG-CD2 4.32Å
687	E	34	Very low	39.9	Very low	186 Å²	186	125.7 Å²	125.7	87%	0.869	64%	0.644	S	S	*	*			trans	-70.8	132.5	162.6	-72	-162.9	133.4	0	0	109.3
688	L	33.7	Very low	39.1	Very low	147 Å²	147	121.9 Å²	121.9	77%	0.77	65%	0.648	S	S	*	*			trans	-94.6	115.1	-176.8	-171.8	78.8	0	0	0	108.4	E690	L688-E690 PolarHBondContact O-N 3.28Å
689	V	36.3	Very low	38.8	Very low	120 Å²	120	125.8 Å²	125.8	73%	0.727	67%	0.674	S	S	*	*			trans	-76.5	122.3	169.7	-176	0	0	0	0	108.2
690	E	33.6	Very low	38.6	Very low	162 Å²	162	128.7 Å²	128.7	76%	0.757	69%	0.69	S	S	*	*			trans	-65.2	141.1	177.6	-83.8	-171.4	128.5	0	0	112.1	L688 L692	L688-E690 PolarHBondContact O-N 3.28Å; E690-L692 PolarHBondContact O-N 3.08Å
691	P	35.3	Very low	38.5	Very low	120 Å²	120	130.9 Å²	130.9	78%	0.779	71%	0.707	S	S	*	*			trans	-78.9	102	-174.8	31.2	-35	0	0	0	112.7	T693	P691-T693 PolarHBondContact O-N 3.3Å
692	L	33.2	Very low	38.4	Very low	164 Å²	164	122.8 Å²	122.8	86%	0.859	68%	0.677	S	S	*	*			trans	-87.3	79	167.1	-75.8	171.3	0	0	0	111.9	E690	E690-L692 PolarHBondContact O-N 3.08Å
693	T	38.1	Very low	38.9	Very low	109 Å²	109	126.5 Å²	126.5	67%	0.669	70%	0.697	S	S	*	*			trans	179.7	156.7	137.2	22.4	0	0	0	0	112.7	P691	P691-T693 PolarHBondContact O-N 3.3Å
694	P	40.3	Very low	40	Very low	133 Å²	133	124 Å²	124	86%	0.864	68%	0.684	S	S	*	*			trans	-111.6	69.1	-164.4	40.9	-31.2	0	0	0	114.2
695	S	40.6	Very low	41.5	Very low	97 Å²	97	120.7 Å²	120.7	68%	0.678	67%	0.665	S	S	*	*			trans	-120.2	3.9	-175.4	56.2	0	0	0	0	116.9	E697	S695-E697 PolarHBondContact O-N 3.33Å
696	G	40.6	Very low	43.3	Very low	87 Å²	87	119 Å²	119	90%	0.897	66%	0.659	S	S	*	*			trans	78.1	-4.3	158.5	0	0	0	0	0	118.9
697	E	35.8	Very low	45.1	Very low	179 Å²	179	110.2 Å²	110.2	84%	0.836	63%	0.626	S	S	*	*	P	Polyproline II helix	trans	-81.5	149.8	172.8	-64.9	-176.3	131.2	0	0	112	S695	S695-E697 PolarHBondContact O-N 3.33Å
698	A	33.3	Very low	47.3	Very low	88 Å²	88	106.6 Å²	106.6	73%	0.727	61%	0.607	S	S	*	*	P	Polyproline II helix	trans	-76.1	128.9	-171.2	0	0	0	0	0	112.3	N700	A698-N700 PolarHBondContact O-N 2.78Å
699	P	36.8	Very low	49.4	Very low	116 Å²	116	104.6 Å²	104.6	75%	0.753	59%	0.594	S	S	*	*	P	Polyproline II helix	trans	-74.4	127.4	-175.4	28.2	-34.3	0	0	0	112.9
700	N	40.1	Very low	51.3	Low	96 Å²	96	104 Å²	104	51%	0.513	59%	0.591	S	S	.	*	P	Polyproline II helix	trans	-60	143.5	174.1	-56.7	-32.9	0	0	0	111	A698 A702 Y764	A698-N700 PolarHBondContact O-N 2.78Å; N700-A702 PolarHBondContact O-N 3.31Å; N700-Y764 HydrophobicContact CB-CE1 4.06Å; N700-Y764 WeakPolarHBondContact O-CE1 3.03Å; N700-Y764 PolarHBondContact O-OH 2.75Å
701	Q	42.7	Very low	53.5	Low	202 Å²	202	96.8 Å²	96.8	94%	0.944	56%	0.557	S	S	*	*	S	Bend	trans	-87.2	61.5	-171.2	-63.9	-176.1	-3.9	0	0	114.6
702	A	43.8	Very low	55.8	Low	4 Å²	4	92 Å²	92	3%	0.033	52%	0.524	C	S	.	.			trans	-126.3	98.8	-179.6	0	0	0	0	0	113.5	N700 L704 Y764 S768	N700-A702 PolarHBondContact O-N 3.31Å; A702-L704 PolarHBondContact O-N 3.26Å; A702-Y764 HydrophobicContact CB-CD1 3.98Å; A702-Y764 HydrophobicContact CB-CE1 3.63Å; A702-Y764 PolarHBondContact N-OH 3.08Å; A702-Y764 WeakPolarHBondContact O-CE1 3.44Å; A702-Y764 WeakPolarHBondContact O-CE2 3.41Å; A702-Y764 PolarHBondContact O-OH 2.02Å; A702-Y764 VanDerWaalsContact O-OH 3.07Å; A702-S768 VanDerWaalsContact CB-CB 3.42Å
703	L	54.6	Low	58.2	Low	96 Å²	96	90.6 Å²	90.6	50%	0.503	51%	0.511	S	S	.	.			trans	-70	91.8	176.6	-72.7	125.5	0	0	0	111.5	R686 R705	R686-L703 HydrophobicContact CB-CD2 4.12Å; R686-L703 HydrophobicContact CG-CD1 4.27Å; R686-L703 HydrophobicContact CG-CD2 4.32Å; L703-R705 PolarHBondContact O-N 2.84Å
704	L	65	Low	60.5	Low	34 Å²	34	88.3 Å²	88.3	18%	0.178	49%	0.492	C	S	.	.	P	Polyproline II helix	trans	-66.3	118.8	171.2	178.7	62.6	0	0	0	110.1	A702 L760 A763 Y764 A767 L777 I780	A702-L704 PolarHBondContact O-N 3.26Å; L704-L760 HydrophobicContact CD2-CD2 4.18Å; L704-A763 HydrophobicContact CD1-CB 4.37Å; L704-A763 HydrophobicContact CD2-CB 4.19Å; L704-Y764 HydrophobicContact CB-CD2 4.07Å; L704-Y764 HydrophobicContact CD2-CD2 4.48Å; L704-A767 HydrophobicContact CB-CB 4.43Å; L704-A767 HydrophobicContact CD1-CB 3.8Å; L704-L777 HydrophobicContact CD1-CD2 3.8Å; L704-I780 HydrophobicContact CD1-CB 4.43Å; L704-I780 HydrophobicContact CD1-CG2 3.99Å; L704-I780 HydrophobicContact CD2-CG2 4.04Å; L704-I780 HydrophobicContact CG-CG2 3.95Å
705	R	72.8	Confident	62.6	Low	78 Å²	78	85.7 Å²	85.7	29%	0.294	47%	0.47	S	S	.	.	P	Polyproline II helix	trans	-84.7	118.8	179.4	-173.3	177.7	-179.8	129.1	-0.1	110.8	L682 L703 L707 E711 G779 I780	L682-R705 PolarHBondContact O-NH1 3.27Å; L703-R705 PolarHBondContact O-N 2.84Å; R705-L707 HydrophobicContact CG-CD2 3.8Å; R705-L707 VanDerWaalsContact NE-CD2 3.34Å; R705-E711 IonicContact NH2-OE2 3.56Å; R705-G779 CarbonylContact O-C 3.31Å; R705-G779 WeakPolarHBondContact O-CA 3.46Å; R705-I780 PolarHBondContact O-N 3.06Å
706	I	76.6	Confident	64.7	Low	93 Å²	93	87.5 Å²	87.5	48%	0.477	47%	0.465	S	S	.	.	B	Isolated β-bridge	trans	-80.3	130.1	167.2	-57	175.1	0	0	0	108	I780 L782	I706-I780 CarbonylContact C-O 3.52Å; I706-I780 WeakPolarHBondContact CA-O 3.4Å; I706-I780 HydrophobicContact CG1-CG2 4.27Å; I706-L782 HydrophobicContact CD1-CD1 4.21Å; I706-L782 HydrophobicContact CG1-CD1 4.49Å
707	L	79.5	Confident	66.8	Low	3 Å²	3	86.9 Å²	86.9	2%	0.016	44%	0.444	C	S	.	.			trans	-110.7	141.5	177.3	-61.2	-178.4	0	0	0	110.1	R705 E711 F712 W731 I780 C781 I789	R705-L707 HydrophobicContact CG-CD2 3.8Å; R705-L707 VanDerWaalsContact NE-CD2 3.34Å; L707-E711 WeakPolarHBondContact CA-OE1 3.48Å; L707-F712 HydrophobicContact CB-CD1 4.3Å; L707-F712 HydrophobicContact CB-CE1 4.15Å; L707-W731 HydrophobicContact CD1-CD2 4.48Å; L707-W731 HydrophobicContact CD1-CG 4.5Å; L707-W731 HydrophobicContact CD2-CZ2 3.77Å; L707-I780 PolarHBondContact N-O 3.31Å; L707-C781 PolarHBondContact O-SG 2.89Å; L707-I789 HydrophobicContact CD1-CB 4.18Å; L707-I789 HydrophobicContact CD1-CD1 4.06Å; L707-I789 HydrophobicContact CD1-CG1 3.97Å; L707-I789 HydrophobicContact CD1-CG2 4.33Å
708	K	80.8	Confident	68.9	Low	110 Å²	110	82.7 Å²	82.7	48%	0.478	43%	0.427	S	S	.	.			trans	-80.8	150.8	171.6	-60.1	168.1	-176	176.2	0	110.4	T710 E711 F712 E734	K708-T710 VanDerWaalsContact CB-OG1 3.25Å; K708-T710 WeakPolarHBondContact CB-OG1 3.13Å; K708-T710 PolarHBondContact O-N 2.88Å; K708-E711 HydrophobicContact CB-CG 4.32Å; K708-E711 PolarHBondContact N-OE1 3.17Å; K708-E711 WeakPolarHBondContact O-CB 3.31Å; K708-E711 PolarHBondContact O-N 3Å; K708-F712 WeakPolarHBondContact O-CD1 3.47Å; K708-F712 VanDerWaalsContact O-CE1 3.26Å; K708-F712 WeakPolarHBondContact O-CE1 3.33Å; K708-E734 WeakPolarHBondContact CD-OE1 3.42Å; K708-E734 IonicContact NZ-OE1 2.93Å; K708-E734 IonicContact NZ-OE2 3.34Å; K708-E734 PolarHBondContact NZ-OE2 3.08Å
709	E	77.4	Confident	70.9	Confident	105 Å²	105	80 Å²	80	49%	0.491	41%	0.407	S	S	.	.	G	3₁₀ helix	trans	-63.1	-22.6	173.3	-168.8	166.5	-145.2	0	0	112.4	E711 T783	E709-E711 VanDerWaalsContact C-N 3.27Å; E709-E711 PolarHBondContact O-N 3.08Å; E709-T783 HydrophobicContact CB-CG2 4.17Å
710	T	77.6	Confident	72.7	Confident	107 Å²	107	77.8 Å²	77.8	66%	0.656	40%	0.395	S	S	*	.	G	3₁₀ helix	trans	-66.8	-22.1	170	45.6	0	0	0	0	114.1	K708 E734	K708-T710 VanDerWaalsContact CB-OG1 3.25Å; K708-T710 WeakPolarHBondContact CB-OG1 3.13Å; K708-T710 PolarHBondContact O-N 2.88Å; T710-E734 PolarHBondContact OG1-OE1 2.94Å
711	E	78.9	Confident	73.9	Confident	12 Å²	12	75 Å²	75	6%	0.056	39%	0.389	C	S	.	.	G	3₁₀ helix	trans	-82.8	-11.7	-179.7	-70.9	178.3	-103.9	0	0	113.3	R705 L707 K708 E709 W731 I732 E734	R705-E711 IonicContact NH2-OE2 3.56Å; L707-E711 WeakPolarHBondContact CA-OE1 3.48Å; K708-E711 HydrophobicContact CB-CG 4.32Å; K708-E711 PolarHBondContact N-OE1 3.17Å; K708-E711 WeakPolarHBondContact O-CB 3.31Å; K708-E711 PolarHBondContact O-N 3Å; E709-E711 VanDerWaalsContact C-N 3.27Å; E709-E711 PolarHBondContact O-N 3.08Å; E711-W731 VanDerWaalsContact O-CD1 3.31Å; E711-W731 PolarHBondContact OE2-NE1 2.59Å; E711-I732 WeakPolarHBondContact CA-O 3.31Å; E711-I732 CarbonylContact O-C 3.57Å; E711-I732 PolarHBondContact O-N 3.09Å; E711-I732 VanDerWaalsContact O-O 3.09Å; E711-E734 HydrophobicContact CG-CG 3.97Å
712	F	82.6	Confident	74.8	Confident	18 Å²	18	68.2 Å²	68.2	8%	0.079	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	146.1	-175.8	60.7	-98	0	0	0	115.4	L707 K708 L730 W731 I744 C781 I789	L707-F712 HydrophobicContact CB-CD1 4.3Å; L707-F712 HydrophobicContact CB-CE1 4.15Å; K708-F712 WeakPolarHBondContact O-CD1 3.47Å; K708-F712 VanDerWaalsContact O-CE1 3.26Å; K708-F712 WeakPolarHBondContact O-CE1 3.33Å; F712-L730 CarbonylContact C-O 3.5Å; F712-L730 WeakPolarHBondContact CA-O 3.27Å; F712-L730 VanDerWaalsContact CB-O 3.28Å; F712-L730 WeakPolarHBondContact CB-O 3.46Å; F712-W731 HydrophobicContact CB-CB 4.48Å; F712-I744 HydrophobicContact CB-CD1 4.39Å; F712-I744 HydrophobicContact CD2-CD1 3.67Å; F712-I744 HydrophobicContact CE2-CD1 4.35Å; F712-I744 HydrophobicContact CE2-CG2 4.43Å; F712-I744 HydrophobicContact CG-CD1 4.3Å; F712-C781 HydrophobicContact CE1-CB 3.61Å; F712-C781 HydrophobicContact CZ-CB 3.5Å; F712-C781 VanDerWaalsContact CZ-CB 3.5Å; F712-C781 VanDerWaalsContact CZ-SG 3.54Å; F712-I789 HydrophobicContact CE1-CD1 4.39Å
713	K	83.8	Confident	75.7	Confident	136 Å²	136	71.7 Å²	71.7	59%	0.591	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.1	118.1	179.6	-174	179.3	179	-173	0	110.3	G729 L730	K713-G729 CarbonylContact O-C 3.48Å; K713-G729 WeakPolarHBondContact O-CA 3.46Å; K713-L730 PolarHBondContact N-O 2.8Å; K713-L730 PolarHBondContact O-N 3.14Å
714	K	87.4	Confident	76.6	Confident	60 Å²	60	67.3 Å²	67.3	26%	0.261	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	132.5	164.6	-61.4	172.1	-174.1	170.8	0	108.4	Y727 I744 E746 Q787	K714-Y727 HydrophobicContact CB-CD1 4.12Å; K714-Y727 HydrophobicContact CB-CG 4.18Å; K714-Y727 HydrophobicContact CD-CD1 4.34Å; K714-Y727 HydrophobicContact CD-CD2 4.01Å; K714-Y727 HydrophobicContact CD-CE1 4.38Å; K714-Y727 HydrophobicContact CD-CE2 4.07Å; K714-Y727 HydrophobicContact CD-CG 4.16Å; K714-Y727 HydrophobicContact CG-CD1 4.45Å; K714-Y727 HydrophobicContact CG-CD2 4.32Å; K714-Y727 HydrophobicContact CG-CG 4.12Å; K714-I744 HydrophobicContact CG-CD1 4.03Å; K714-E746 IonicContact NZ-OE1 3.69Å; K714-E746 PolarHBondContact NZ-OE1 3.08Å; K714-E746 IonicContact NZ-OE2 2.7Å; K714-E746 PolarHBondContact NZ-OE2 2.98Å; K714-Q787 VanDerWaalsContact NZ-NE2 3.18Å
715	I	84	Confident	77.3	Confident	79 Å²	79	66.5 Å²	66.5	41%	0.405	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	-61.5	-179.3	-60.6	171.1	0	0	0	110.9	K728 L730	I715-K728 WeakPolarHBondContact CA-O 3.45Å; I715-K728 WeakPolarHBondContact CB-O 3.24Å; I715-K728 PolarHBondContact N-O 2.68Å; I715-L730 HydrophobicContact CD1-CD1 3.74Å; I715-L730 HydrophobicContact CD1-CG 3.73Å
716	K	84.1	Confident	77.9	Confident	134 Å²	134	64.7 Å²	64.7	58%	0.583	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-141.9	137.3	-170.5	178.9	173.1	179.4	174.7	0	110.3	L718 Y727 K728	K716-L718 PolarHBondContact O-N 3.41Å; K716-Y727 CarbonylContact O-C 3.58Å; K716-Y727 VanDerWaalsContact O-CA 3.28Å; K716-Y727 WeakPolarHBondContact O-CA 3.26Å; K716-K728 HydrophobicContact CB-CB 4.49Å; K716-K728 PolarHBondContact N-O 2.76Å; K716-K728 PolarHBondContact O-N 2.86Å
717	V	85.4	Confident	78.4	Confident	75 Å²	75	62.7 Å²	62.7	46%	0.455	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	127.1	171.3	178	0	0	0	0	109.1	T725 Y727	V717-T725 HydrophobicContact CG1-CG2 3.83Å; V717-T725 HydrophobicContact CG2-CG2 4.05Å; V717-Y727 HydrophobicContact CG2-CD1 3.78Å; V717-Y727 HydrophobicContact CG2-CE1 3.56Å
718	L	80.3	Confident	78.6	Confident	90 Å²	90	64.5 Å²	64.5	47%	0.471	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	-35.9	172.4	-68.7	170.5	0	0	0	111.4	K716 V726 K728 L792	K716-L718 PolarHBondContact O-N 3.41Å; L718-V726 HydrophobicContact CB-CG1 4.5Å; L718-V726 HydrophobicContact CD1-CG1 4.4Å; L718-V726 PolarHBondContact N-O 3.11Å; L718-K728 HydrophobicContact CD1-CB 3.96Å; L718-K728 HydrophobicContact CD2-CB 4.06Å; L718-K728 HydrophobicContact CG-CB 3.93Å; L718-L792 HydrophobicContact CD1-CD1 3.52Å
719	G	74.5	Confident	78.8	Confident	31 Å²	31	59.3 Å²	59.3	32%	0.32	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.8	162.2	178.7	0	0	0	0	0	111.6	V726	G719-V726 PolarHBondContact N-O 2.96Å; G719-V726 PolarHBondContact O-N 3.05Å
720	S	74.3	Confident	79.1	Confident	71 Å²	71	54.9 Å²	54.9	50%	0.497	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	134.8	177.4	-161.5	0	0	0	0	109.8	T725 R748	S720-T725 PolarHBondContact OG-OG1 3.16Å; S720-R748 PolarHBondContact OG-NH2 3.13Å
721	G	66.8	Low	79.3	Confident	37 Å²	37	50.1 Å²	50.1	38%	0.381	28%	0.276	S	S	.	.			trans	-151.4	-162.2	-170.3	0	0	0	0	0	113.3	F723 G724 R748	G721-F723 PolarHBondContact O-N 3.16Å; G721-G724 PolarHBondContact N-O 3.12Å; G721-R748 PolarHBondContact O-NH1 3.06Å
722	A	60.3	Low	79.4	Confident	60 Å²	60	52.6 Å²	52.6	50%	0.496	29%	0.289	S	S	.	.	S	Bend	trans	-63.7	-40.3	-177.8	0	0	0	0	0	112.7	K875	A722-K875 HydrophobicContact CB-CD 4.41Å
723	F	62.3	Low	78.8	Confident	76 Å²	76	51.8 Å²	51.8	33%	0.333	29%	0.286	S	S	.	.	S	Bend	trans	-88.6	-8.8	-173.5	-54.7	-63.4	0	0	0	114.6	G721 L747 L858	G721-F723 PolarHBondContact O-N 3.16Å; F723-L747 WeakPolarHBondContact O-CD2 3Å; F723-L858 HydrophobicContact CD1-CD1 4.32Å; F723-L858 HydrophobicContact CE1-CD1 3.7Å; F723-L858 HydrophobicContact CE2-CD1 4.25Å; F723-L858 HydrophobicContact CZ-CD1 3.66Å
724	G	73.9	Confident	77.9	Confident	5 Å²	5	49.8 Å²	49.8	5%	0.052	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	160.3	-174.5	-174.8	0	0	0	0	0	115.6	G721 E746	G721-G724 PolarHBondContact N-O 3.12Å; G724-E746 CarbonylContact C-O 3.59Å; G724-E746 WeakPolarHBondContact CA-O 3.37Å
725	T	80.9	Confident	76.5	Confident	17 Å²	17	51 Å²	51	10%	0.104	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	131.7	165.9	-57.6	0	0	0	0	109	V717 S720 Y727 E746	V717-T725 HydrophobicContact CG1-CG2 3.83Å; V717-T725 HydrophobicContact CG2-CG2 4.05Å; S720-T725 PolarHBondContact OG-OG1 3.16Å; T725-Y727 HydrophobicContact CG2-CD2 4.27Å; T725-Y727 HydrophobicContact CG2-CE1 4.17Å; T725-Y727 HydrophobicContact CG2-CE2 3.66Å; T725-E746 PolarHBondContact N-O 3.42Å; T725-E746 PolarHBondContact O-N 3.15Å
726	V	85.4	Confident	75.4	Confident	40 Å²	40	49.3 Å²	49.3	24%	0.242	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	128.1	178.8	-174.1	0	0	0	0	109.4	L718 G719 A743 I744 K745	L718-V726 HydrophobicContact CB-CG1 4.5Å; L718-V726 HydrophobicContact CD1-CG1 4.4Å; L718-V726 PolarHBondContact N-O 3.11Å; G719-V726 PolarHBondContact N-O 2.96Å; G719-V726 PolarHBondContact O-N 3.05Å; V726-A743 HydrophobicContact CG1-CB 4.23Å; V726-I744 CarbonylContact C-O 3.48Å; V726-I744 WeakPolarHBondContact CA-O 3.03Å; V726-K745 HydrophobicContact CG2-CB 4.12Å; V726-K745 HydrophobicContact CG2-CD 4.3Å; V726-K745 HydrophobicContact CG2-CG 4.01Å
727	Y	86	Confident	74.1	Confident	50 Å²	50	50.3 Å²	50.3	20%	0.196	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	137.8	179	-56.2	-99.3	0	0	0	111.1	K714 K716 V717 T725 G729 A743 I744 E746	K714-Y727 HydrophobicContact CB-CD1 4.12Å; K714-Y727 HydrophobicContact CB-CG 4.18Å; K714-Y727 HydrophobicContact CD-CD1 4.34Å; K714-Y727 HydrophobicContact CD-CD2 4.01Å; K714-Y727 HydrophobicContact CD-CE1 4.38Å; K714-Y727 HydrophobicContact CD-CE2 4.07Å; K714-Y727 HydrophobicContact CD-CG 4.16Å; K714-Y727 HydrophobicContact CG-CD1 4.45Å; K714-Y727 HydrophobicContact CG-CD2 4.32Å; K714-Y727 HydrophobicContact CG-CG 4.12Å; K716-Y727 CarbonylContact O-C 3.58Å; K716-Y727 VanDerWaalsContact O-CA 3.28Å; K716-Y727 WeakPolarHBondContact O-CA 3.26Å; V717-Y727 HydrophobicContact CG2-CD1 3.78Å; V717-Y727 HydrophobicContact CG2-CE1 3.56Å; T725-Y727 HydrophobicContact CG2-CD2 4.27Å; T725-Y727 HydrophobicContact CG2-CE1 4.17Å; T725-Y727 HydrophobicContact CG2-CE2 3.66Å; Y727-G729 PolarHBondContact O-N 2.8Å; Y727-A743 WeakPolarHBondContact O-CA 3.21Å; Y727-I744 PolarHBondContact N-O 3.35Å; Y727-I744 PolarHBondContact O-N 3.23Å; Y727-E746 HydrophobicContact CE2-CB 3.99Å; Y727-E746 VanDerWaalsContact CE2-OE2 3.27Å; Y727-E746 WeakPolarHBondContact CE2-OE2 3.37Å; Y727-E746 PolarHBondContact OH-OE2 3.14Å
728	K	83.7	Confident	72.9	Confident	42 Å²	42	47.2 Å²	47.2	18%	0.183	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	126.1	154.1	-178.7	174.9	-176.9	-177.5	0	106.1	I715 K716 L718 L792 L1001	I715-K728 WeakPolarHBondContact CA-O 3.45Å; I715-K728 WeakPolarHBondContact CB-O 3.24Å; I715-K728 PolarHBondContact N-O 2.68Å; K716-K728 HydrophobicContact CB-CB 4.49Å; K716-K728 PolarHBondContact N-O 2.76Å; K716-K728 PolarHBondContact O-N 2.86Å; L718-K728 HydrophobicContact CD1-CB 3.96Å; L718-K728 HydrophobicContact CD2-CB 4.06Å; L718-K728 HydrophobicContact CG-CB 3.93Å; K728-L792 HydrophobicContact CD-CD2 4.26Å; K728-L792 HydrophobicContact CG-CD2 3.92Å; K728-L1001 PolarHBondContact NZ-O 2.77Å
729	G	84.9	Confident	72.5	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	178.9	178.8	0	0	0	0	0	112.6	K713 Y727 V742	K713-G729 CarbonylContact O-C 3.48Å; K713-G729 WeakPolarHBondContact O-CA 3.46Å; Y727-G729 PolarHBondContact O-N 2.8Å; G729-V742 PolarHBondContact N-O 2.88Å; G729-V742 PolarHBondContact O-N 2.93Å
730	L	83.1	Confident	72.5	Confident	12 Å²	12	43.9 Å²	43.9	6%	0.063	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	131.2	173.6	-65.3	165.9	0	0	0	109.8	F712 K713 I715 I732 K739 I740 M1007	F712-L730 CarbonylContact C-O 3.5Å; F712-L730 WeakPolarHBondContact CA-O 3.27Å; F712-L730 VanDerWaalsContact CB-O 3.28Å; F712-L730 WeakPolarHBondContact CB-O 3.46Å; K713-L730 PolarHBondContact N-O 2.8Å; K713-L730 PolarHBondContact O-N 3.14Å; I715-L730 HydrophobicContact CD1-CD1 3.74Å; I715-L730 HydrophobicContact CD1-CG 3.73Å; L730-I732 HydrophobicContact CB-CG1 4.49Å; L730-K739 HydrophobicContact CD1-CD 4.33Å; L730-K739 HydrophobicContact CD2-CB 4.32Å; L730-I740 CarbonylContact C-O 3.57Å; L730-I740 WeakPolarHBondContact CA-O 3.28Å; L730-M1007 HydrophobicContact CD1-CE 3.66Å; L730-M1007 HydrophobicContact CD1-SD 3.57Å; L730-M1007 VanDerWaalsContact CD1-SD 3.57Å; L730-M1007 HydrophobicContact CD2-CE 3.48Å; L730-M1007 VanDerWaalsContact CD2-CE 3.48Å; L730-M1007 HydrophobicContact CD2-SD 4.4Å; L730-M1007 HydrophobicContact CG-CE 4.1Å
731	W	82.5	Confident	72.8	Confident	7 Å²	7	41.8 Å²	41.8	3%	0.027	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	134	165.7	178.7	43.6	0	0	0	109.3	L707 E711 F712 P733 I740 V742	L707-W731 HydrophobicContact CD1-CD2 4.48Å; L707-W731 HydrophobicContact CD1-CG 4.5Å; L707-W731 HydrophobicContact CD2-CZ2 3.77Å; E711-W731 VanDerWaalsContact O-CD1 3.31Å; E711-W731 PolarHBondContact OE2-NE1 2.59Å; F712-W731 HydrophobicContact CB-CB 4.48Å; W731-P733 HydrophobicContact CD2-CG 4.38Å; W731-P733 HydrophobicContact CH2-CG 4.37Å; W731-P733 HydrophobicContact CZ2-CG 3.86Å; W731-I740 HydrophobicContact CD2-CD1 4.49Å; W731-I740 HydrophobicContact CE3-CD1 3.66Å; W731-I740 HydrophobicContact CZ3-CD1 3.86Å; W731-I740 PolarHBondContact N-O 3.47Å; W731-I740 PolarHBondContact O-N 2.81Å; W731-V742 HydrophobicContact CB-CG1 3.97Å; W731-V742 HydrophobicContact CB-CG2 4.16Å
732	I	81.1	Confident	73.8	Confident	64 Å²	64	40 Å²	40	33%	0.328	22%	0.223	S	C	.	.			trans	-138.8	93.2	-174.3	-52.8	177.5	0	0	0	106	E711 L730 K739	E711-I732 WeakPolarHBondContact CA-O 3.31Å; E711-I732 CarbonylContact O-C 3.57Å; E711-I732 PolarHBondContact O-N 3.09Å; E711-I732 VanDerWaalsContact O-O 3.09Å; L730-I732 HydrophobicContact CB-CG1 4.49Å; I732-K739 HydrophobicContact CD1-CG 4.27Å; I732-K739 HydrophobicContact CG1-CG 4.34Å
733	P	71.1	Confident	75.1	Confident	2 Å²	2	37.7 Å²	37.7	1%	0.013	20%	0.203	C	C	.	.			trans	-57	142.9	-177.4	-25.1	33.8	0	0	0	112.7	L682 W731 G735 E736	L682-P733 HydrophobicContact CD1-CB 4.46Å; L682-P733 HydrophobicContact CD2-CB 4.32Å; W731-P733 HydrophobicContact CD2-CG 4.38Å; W731-P733 HydrophobicContact CH2-CG 4.37Å; W731-P733 HydrophobicContact CZ2-CG 3.86Å; P733-G735 PolarHBondContact O-N 2.96Å; P733-E736 HydrophobicContact CB-CB 4.4Å; P733-E736 WeakPolarHBondContact O-CB 3.37Å; P733-E736 PolarHBondContact O-N 2.96Å; P733-E736 VanDerWaalsContact O-N 3.11Å
734	E	62.9	Low	76.3	Confident	94 Å²	94	34 Å²	34	44%	0.439	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	135.5	-179.8	-86.6	-177.3	178.8	0	0	112.2	K708 T710 E711 E736	K708-E734 WeakPolarHBondContact CD-OE1 3.42Å; K708-E734 IonicContact NZ-OE1 2.93Å; K708-E734 IonicContact NZ-OE2 3.34Å; K708-E734 PolarHBondContact NZ-OE2 3.08Å; T710-E734 PolarHBondContact OG1-OE1 2.94Å; E711-E734 HydrophobicContact CG-CG 3.97Å; E734-E736 VanDerWaalsContact C-N 3.32Å
735	G	58.5	Low	76.9	Confident	84 Å²	84	35.1 Å²	35.1	87%	0.866	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	85.4	-9.8	-176	0	0	0	0	0	115.4	P733	P733-G735 PolarHBondContact O-N 2.96Å
736	E	61.2	Low	77.1	Confident	44 Å²	44	35.9 Å²	35.9	21%	0.206	19%	0.193	C	C	.	.			trans	-116.3	163.2	-164.5	-68	-75.6	163.4	0	0	114.8	T678 L682 P733 E734	T678-E736 WeakPolarHBondContact CB-OE1 3.26Å; T678-E736 VanDerWaalsContact CB-OE2 3.29Å; T678-E736 WeakPolarHBondContact CB-OE2 3.49Å; T678-E736 WeakPolarHBondContact CG2-OE1 3.36Å; T678-E736 PolarHBondContact OG1-OE2 3.19Å; L682-E736 HydrophobicContact CD1-CB 4.2Å; L682-E736 HydrophobicContact CD1-CG 3.49Å; L682-E736 VanDerWaalsContact CD1-CG 3.49Å; L682-E736 HydrophobicContact CD2-CG 3.66Å; L682-E736 HydrophobicContact CG-CG 4.07Å; P733-E736 HydrophobicContact CB-CB 4.4Å; P733-E736 WeakPolarHBondContact O-CB 3.37Å; P733-E736 PolarHBondContact O-N 2.96Å; P733-E736 VanDerWaalsContact O-N 3.11Å; E734-E736 VanDerWaalsContact C-N 3.32Å
737	K	56.6	Low	76.7	Confident	156 Å²	156	35.3 Å²	35.3	68%	0.678	19%	0.189	S	C	*	.			trans	-119.7	48.1	-174.8	-57.7	-159.9	178.7	-151.7	0	112.2	R675	R675-K737 VanDerWaalsContact CZ-O 3.31Å; R675-K737 PolarHBondContact NE-O 3.12Å; R675-K737 PolarHBondContact NH2-O 2.95Å
738	V	60.9	Low	75.8	Confident	9 Å²	9	40 Å²	40	6%	0.055	21%	0.206	C	C	.	.			trans	-131.1	129.8	178.4	-177.2	0	0	0	0	108.7	L679 I740 V1011 Y1016	L679-V738 HydrophobicContact CD1-CG1 4.45Å; L679-V738 HydrophobicContact CD1-CG2 3.82Å; V738-I740 HydrophobicContact CG1-CG1 4.31Å; V738-V1011 HydrophobicContact CG1-CG2 4.15Å; V738-Y1016 HydrophobicContact CG1-CE2 4.18Å
739	K	70.6	Confident	74.7	Confident	50 Å²	50	45.9 Å²	45.9	22%	0.217	23%	0.234	C	C	.	.	B	Isolated β-bridge	trans	-101.9	124.3	176.4	-62.5	177.5	175.9	-176	0	108.9	L730 I732 D1006 M1007 V1010 V1011	L730-K739 HydrophobicContact CD1-CD 4.33Å; L730-K739 HydrophobicContact CD2-CB 4.32Å; I732-K739 HydrophobicContact CD1-CG 4.27Å; I732-K739 HydrophobicContact CG1-CG 4.34Å; K739-D1006 PolarHBondContact NZ-O 2.91Å; K739-M1007 HydrophobicContact CD-SD 3.88Å; K739-V1010 HydrophobicContact CB-CG2 4.11Å; K739-V1010 HydrophobicContact CD-CG2 4.19Å; K739-V1011 PolarHBondContact O-N 3.33Å
740	I	76.2	Confident	72.9	Confident	1 Å²	1	47 Å²	47	1%	0.005	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	126.2	179.2	-56.8	169.7	0	0	0	109.2	L730 W731 V738 V742 A1013 Y1016	L730-I740 CarbonylContact C-O 3.57Å; L730-I740 WeakPolarHBondContact CA-O 3.28Å; W731-I740 HydrophobicContact CD2-CD1 4.49Å; W731-I740 HydrophobicContact CE3-CD1 3.66Å; W731-I740 HydrophobicContact CZ3-CD1 3.86Å; W731-I740 PolarHBondContact N-O 3.47Å; W731-I740 PolarHBondContact O-N 2.81Å; V738-I740 HydrophobicContact CG1-CG1 4.31Å; I740-V742 HydrophobicContact CG2-CG1 4.31Å; I740-V742 PolarHBondContact O-N 3.14Å; I740-A1013 HydrophobicContact CG2-CB 3.63Å; I740-Y1016 HydrophobicContact CD1-CD1 3.99Å; I740-Y1016 HydrophobicContact CD1-CD2 3.65Å; I740-Y1016 HydrophobicContact CD1-CE1 3.92Å; I740-Y1016 HydrophobicContact CD1-CE2 3.55Å; I740-Y1016 HydrophobicContact CD1-CG 3.88Å; I740-Y1016 HydrophobicContact CG1-CD2 4.12Å; I740-Y1016 HydrophobicContact CG1-CE2 4.24Å
741	P	80.6	Confident	71.2	Confident	27 Å²	27	53.5 Å²	53.5	18%	0.175	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	122.6	179.8	31.8	-31.6	0	0	0	110.8	L792 V1010 V1011	P741-L792 HydrophobicContact CB-CB 4.41Å; P741-L792 HydrophobicContact CB-CD2 4.18Å; P741-V1010 HydrophobicContact CG-CG1 4.3Å; P741-V1011 WeakPolarHBondContact CD-O 3.17Å
742	V	86.4	Confident	69.8	Low	0 Å²	0	55.8 Å²	55.8	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	153.5	-174.5	-68.3	0	0	0	0	111.7	G729 W731 I740 I744 L778 I789 T790	G729-V742 PolarHBondContact N-O 2.88Å; G729-V742 PolarHBondContact O-N 2.93Å; W731-V742 HydrophobicContact CB-CG1 3.97Å; W731-V742 HydrophobicContact CB-CG2 4.16Å; I740-V742 HydrophobicContact CG2-CG1 4.31Å; I740-V742 PolarHBondContact O-N 3.14Å; V742-I744 HydrophobicContact CG2-CD1 4.16Å; V742-I744 HydrophobicContact CG2-CG1 3.87Å; V742-L778 HydrophobicContact CG1-CD1 4.14Å; V742-I789 HydrophobicContact CB-CG2 3.79Å; V742-I789 HydrophobicContact CG1-CG2 3.78Å; V742-I789 HydrophobicContact CG2-CG2 4.13Å; V742-T790 CarbonylContact C-O 3.5Å; V742-T790 WeakPolarHBondContact CA-O 3.47Å; V742-T790 WeakPolarHBondContact CB-O 3.25Å
743	A	87.7	Confident	68.5	Low	11 Å²	11	58.3 Å²	58.3	9%	0.091	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	123.5	162.9	0	0	0	0	0	108.3	V726 Y727 T790 L792	V726-A743 HydrophobicContact CG1-CB 4.23Å; Y727-A743 WeakPolarHBondContact O-CA 3.21Å; A743-T790 PolarHBondContact N-O 3.18Å; A743-T790 PolarHBondContact O-N 3.36Å; A743-L792 HydrophobicContact CB-CD1 4.41Å
744	I	87.8	Confident	67.5	Low	0 Å²	0	64.6 Å²	64.6	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	108.5	-179.2	-54.6	168.4	0	0	0	107.3	F712 K714 V726 Y727 V742 Q787 I789	F712-I744 HydrophobicContact CB-CD1 4.39Å; F712-I744 HydrophobicContact CD2-CD1 3.67Å; F712-I744 HydrophobicContact CE2-CD1 4.35Å; F712-I744 HydrophobicContact CE2-CG2 4.43Å; F712-I744 HydrophobicContact CG-CD1 4.3Å; K714-I744 HydrophobicContact CG-CD1 4.03Å; V726-I744 CarbonylContact C-O 3.48Å; V726-I744 WeakPolarHBondContact CA-O 3.03Å; Y727-I744 PolarHBondContact N-O 3.35Å; Y727-I744 PolarHBondContact O-N 3.23Å; V742-I744 HydrophobicContact CG2-CD1 4.16Å; V742-I744 HydrophobicContact CG2-CG1 3.87Å; I744-Q787 HydrophobicContact CG2-CB 4.12Å; I744-I789 HydrophobicContact CG1-CG1 4.44Å
745	K	85.9	Confident	67.3	Low	27 Å²	27	61.6 Å²	61.6	12%	0.117	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	103.2	178.2	179.9	170.1	173.8	176.3	0	109.5	V726 L747 Q787 L788 D855	V726-K745 HydrophobicContact CG2-CB 4.12Å; V726-K745 HydrophobicContact CG2-CD 4.3Å; V726-K745 HydrophobicContact CG2-CG 4.01Å; K745-L747 HydrophobicContact CG-CD2 4.19Å; K745-Q787 WeakPolarHBondContact O-CA 3.05Å; K745-L788 HydrophobicContact CB-CB 4.41Å; K745-L788 PolarHBondContact N-O 3.07Å; K745-L788 PolarHBondContact O-N 2.92Å; K745-D855 IonicContact NZ-OD1 2.8Å; K745-D855 PolarHBondContact NZ-OD1 3.27Å; K745-D855 IonicContact NZ-OD2 3.53Å; K745-D855 PolarHBondContact NZ-OD2 3.02Å
746	E	85.7	Confident	67.5	Low	33 Å²	33	60.4 Å²	60.4	15%	0.154	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	115.4	177.5	176.1	158.2	-131.8	0	0	110.2	K714 G724 T725 Y727 T785 Q787	K714-E746 IonicContact NZ-OE1 3.69Å; K714-E746 PolarHBondContact NZ-OE1 3.08Å; K714-E746 IonicContact NZ-OE2 2.7Å; K714-E746 PolarHBondContact NZ-OE2 2.98Å; G724-E746 CarbonylContact C-O 3.59Å; G724-E746 WeakPolarHBondContact CA-O 3.37Å; T725-E746 PolarHBondContact N-O 3.42Å; T725-E746 PolarHBondContact O-N 3.15Å; Y727-E746 HydrophobicContact CE2-CB 3.99Å; Y727-E746 VanDerWaalsContact CE2-OE2 3.27Å; Y727-E746 WeakPolarHBondContact CE2-OE2 3.37Å; Y727-E746 PolarHBondContact OH-OE2 3.14Å; E746-T785 HydrophobicContact CG-CG2 4.27Å; E746-T785 WeakPolarHBondContact OE1-CB 3.17Å; E746-T785 PolarHBondContact OE1-OG1 3.07Å; E746-Q787 HydrophobicContact CB-CG 4.23Å; E746-Q787 HydrophobicContact CG-CG 4.24Å; E746-Q787 PolarHBondContact OE1-NE2 3.02Å
747	L	77.6	Confident	67.6	Low	29 Å²	29	64 Å²	64	15%	0.152	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	142.3	-177.8	-54.8	-177	0	0	0	110.7	F723 K745 I759 V786 L788	F723-L747 WeakPolarHBondContact O-CD2 3Å; K745-L747 HydrophobicContact CG-CD2 4.19Å; L747-I759 HydrophobicContact CD1-CG2 4.03Å; L747-V786 WeakPolarHBondContact CB-O 3.45Å; L747-V786 HydrophobicContact CD1-CB 4.17Å; L747-V786 HydrophobicContact CD1-CG1 4Å; L747-V786 PolarHBondContact N-O 3.06Å; L747-L788 HydrophobicContact CD1-CD1 4.35Å; L747-L788 HydrophobicContact CD2-CD1 4.35Å
748	R	67.1	Low	67.9	Low	149 Å²	149	59.9 Å²	59.9	56%	0.562	31%	0.312	S	S	*	.	S	Bend	trans	-88	-20	-169.7	-85.9	169.3	172.8	-155.6	-9.8	115.9	S720 G721	S720-R748 PolarHBondContact OG-NH2 3.13Å; G721-R748 PolarHBondContact O-NH1 3.06Å
749	E	59.4	Low	68.3	Low	164 Å²	164	61 Å²	61	77%	0.766	32%	0.317	S	S	*	.			trans	-144.4	108.3	-171.7	-68.3	173.4	-171.2	0	0	110.6
750	A	47.3	Very low	68.2	Low	25 Å²	25	61.3 Å²	61.3	21%	0.207	32%	0.321	C	S	.	.			trans	-164.4	52.7	173.1	0	0	0	0	0	114	N756 I759 V786	A750-N756 WeakPolarHBondContact CB-OD1 3.35Å; A750-N756 PolarHBondContact O-OD1 3.47Å; A750-I759 HydrophobicContact CB-CD1 3.76Å; A750-V786 HydrophobicContact CB-CG2 4.28Å
751	T	47.6	Very low	67.8	Low	147 Å²	147	65.4 Å²	65.4	90%	0.902	34%	0.343	S	S	*	.			trans	-97.4	15.6	177.2	46.2	0	0	0	0	114.2
752	S	54.2	Low	67.3	Low	55 Å²	55	65.6 Å²	65.6	39%	0.385	34%	0.341	S	S	.	.	S	Bend	trans	-109.8	136.1	174	105.6	0	0	0	0	111.1	K754 A755 N756	S752-K754 PolarHBondContact O-N 3.29Å; S752-A755 PolarHBondContact O-N 3.14Å; S752-A755 WeakPolarHBondContact OG-CB 3.09Å; S752-A755 PolarHBondContact OG-N 3.08Å; S752-N756 PolarHBondContact O-N 2.85Å
753	P	53.5	Low	66.7	Low	117 Å²	117	65.7 Å²	65.7	76%	0.76	34%	0.342	S	S	*	.	H	α-helix	trans	-60.8	-28.3	178.7	-26.6	35.5	0	0	0	114.4
754	K	50.4	Low	66	Low	135 Å²	135	68.9 Å²	68.9	59%	0.587	35%	0.353	S	S	*	.	H	α-helix	trans	-69.2	-47.3	177.1	-167.4	-168.1	175.5	-155.5	0	111	S752 N756 K757 E758	S752-K754 PolarHBondContact O-N 3.29Å; K754-N756 VanDerWaalsContact C-N 3.29Å; K754-N756 PolarHBondContact O-N 3.5Å; K754-K757 PolarHBondContact O-N 3.4Å; K754-K757 VanDerWaalsContact O-N 3.17Å; K754-E758 VanDerWaalsContact CE-OE1 3.23Å; K754-E758 WeakPolarHBondContact CE-OE1 3.5Å; K754-E758 IonicContact NZ-OE1 2.63Å; K754-E758 PolarHBondContact O-N 2.7Å
755	A	57.6	Low	65.3	Low	31 Å²	31	69.7 Å²	69.7	26%	0.256	36%	0.357	S	S	.	.	H	α-helix	trans	-61.2	-38.1	179.2	0	0	0	0	0	112	S752 K757 E758 I759	S752-A755 PolarHBondContact O-N 3.14Å; S752-A755 WeakPolarHBondContact OG-CB 3.09Å; S752-A755 PolarHBondContact OG-N 3.08Å; A755-K757 VanDerWaalsContact C-N 3.29Å; A755-K757 PolarHBondContact O-N 3.28Å; A755-E758 PolarHBondContact O-N 2.84Å; A755-I759 WeakPolarHBondContact O-CB 3.05Å; A755-I759 VanDerWaalsContact O-CG1 3.28Å; A755-I759 WeakPolarHBondContact O-CG1 3.41Å; A755-I759 PolarHBondContact O-N 2.04Å
756	N	62.6	Low	64.8	Low	59 Å²	59	68.8 Å²	68.8	32%	0.316	35%	0.354	S	S	.	.	H	α-helix	trans	-62.7	-32.1	177.8	-74.8	-9.7	0	0	0	113.4	A750 S752 K754 L760	A750-N756 WeakPolarHBondContact CB-OD1 3.35Å; A750-N756 PolarHBondContact O-OD1 3.47Å; S752-N756 PolarHBondContact O-N 2.85Å; K754-N756 VanDerWaalsContact C-N 3.29Å; K754-N756 PolarHBondContact O-N 3.5Å; N756-L760 WeakPolarHBondContact O-CB 3.26Å; N756-L760 WeakPolarHBondContact O-CD1 3.42Å; N756-L760 VanDerWaalsContact O-CG 3.29Å; N756-L760 WeakPolarHBondContact O-CG 3.05Å; N756-L760 PolarHBondContact O-N 2.99Å
757	K	63.1	Low	64.3	Low	119 Å²	119	67.5 Å²	67.5	52%	0.517	35%	0.349	S	S	.	.	H	α-helix	trans	-68.9	-50.6	172.4	-179.4	173.7	176	179	0	111	K754 A755 I759 L760 D761	K754-K757 PolarHBondContact O-N 3.4Å; K754-K757 VanDerWaalsContact O-N 3.17Å; A755-K757 VanDerWaalsContact C-N 3.29Å; A755-K757 PolarHBondContact O-N 3.28Å; K757-I759 VanDerWaalsContact C-N 3.28Å; K757-I759 PolarHBondContact O-N 3Å; K757-L760 WeakPolarHBondContact O-CB 3.47Å; K757-L760 PolarHBondContact O-N 2.97Å; K757-D761 WeakPolarHBondContact CE-OD2 3.47Å; K757-D761 WeakPolarHBondContact CG-OD2 3.04Å; K757-D761 PolarHBondContact O-N 2.96Å
758	E	64.1	Low	64.1	Low	69 Å²	69	68 Å²	68	32%	0.322	35%	0.354	S	S	.	.	H	α-helix	trans	-59.7	-39.3	-177.7	-63.6	-176.3	-136.1	0	0	111.8	K754 A755 L760 D761 E762 K860	K754-E758 VanDerWaalsContact CE-OE1 3.23Å; K754-E758 WeakPolarHBondContact CE-OE1 3.5Å; K754-E758 IonicContact NZ-OE1 2.63Å; K754-E758 PolarHBondContact O-N 2.7Å; A755-E758 PolarHBondContact O-N 2.84Å; E758-L760 PolarHBondContact O-N 2.73Å; E758-D761 PolarHBondContact O-N 3.34Å; E758-E762 WeakPolarHBondContact O-CG 3.31Å; E758-E762 PolarHBondContact O-N 2.87Å; E758-K860 IonicContact OE2-NZ 2.74Å; E758-K860 PolarHBondContact OE2-NZ 3.1Å
759	I	68.3	Low	64.5	Low	34 Å²	34	61 Å²	61	17%	0.174	33%	0.328	C	S	.	.	H	α-helix	trans	-66.7	-34.4	174.8	-65.9	164.6	0	0	0	112.2	L747 A750 A755 K757 A763 V786	L747-I759 HydrophobicContact CD1-CG2 4.03Å; A750-I759 HydrophobicContact CB-CD1 3.76Å; A755-I759 WeakPolarHBondContact O-CB 3.05Å; A755-I759 VanDerWaalsContact O-CG1 3.28Å; A755-I759 WeakPolarHBondContact O-CG1 3.41Å; A755-I759 PolarHBondContact O-N 2.04Å; K757-I759 VanDerWaalsContact C-N 3.28Å; K757-I759 PolarHBondContact O-N 3Å; I759-A763 WeakPolarHBondContact O-CB 3.38Å; I759-A763 PolarHBondContact O-N 3.43Å; I759-V786 HydrophobicContact CG2-CG1 3.93Å
760	L	70	Confident	65.4	Low	56 Å²	56	58.7 Å²	58.7	29%	0.293	32%	0.321	S	S	.	.	H	α-helix	trans	-71.5	-41.2	176	-81.1	166.5	0	0	0	112.2	L704 N756 K757 E758 A763 Y764 I780 L782	L704-L760 HydrophobicContact CD2-CD2 4.18Å; N756-L760 WeakPolarHBondContact O-CB 3.26Å; N756-L760 WeakPolarHBondContact O-CD1 3.42Å; N756-L760 VanDerWaalsContact O-CG 3.29Å; N756-L760 WeakPolarHBondContact O-CG 3.05Å; N756-L760 PolarHBondContact O-N 2.99Å; K757-L760 WeakPolarHBondContact O-CB 3.47Å; K757-L760 PolarHBondContact O-N 2.97Å; E758-L760 PolarHBondContact O-N 2.73Å; L760-A763 PolarHBondContact O-N 3.45Å; L760-Y764 WeakPolarHBondContact O-CB 3.05Å; L760-Y764 PolarHBondContact O-N 2.91Å; L760-I780 HydrophobicContact CD2-CD1 4.06Å; L760-L782 HydrophobicContact CD2-CD1 4.07Å; L760-L782 HydrophobicContact CD2-CD2 4.2Å
761	D	67.7	Low	67.2	Low	87 Å²	87	59 Å²	59	47%	0.465	32%	0.32	S	S	.	.	H	α-helix	trans	-64.7	-42.1	177	-65.8	-27.7	0	0	0	110.6	K757 E758 Y764 V765	K757-D761 WeakPolarHBondContact CE-OD2 3.47Å; K757-D761 WeakPolarHBondContact CG-OD2 3.04Å; K757-D761 PolarHBondContact O-N 2.96Å; E758-D761 PolarHBondContact O-N 3.34Å; D761-Y764 WeakPolarHBondContact O-CB 3.31Å; D761-Y764 PolarHBondContact O-N 3.21Å; D761-V765 PolarHBondContact O-N 3.49Å
762	E	69.6	Low	69.1	Low	30 Å²	30	56 Å²	56	14%	0.14	30%	0.302	C	S	.	.	H	α-helix	trans	-66.4	-41.3	172.6	-71.2	-177.8	-173.8	0	0	112.2	E758 Y764 V765 M766 L858 K860	E758-E762 WeakPolarHBondContact O-CG 3.31Å; E758-E762 PolarHBondContact O-N 2.87Å; E762-Y764 VanDerWaalsContact C-N 3.29Å; E762-Y764 PolarHBondContact O-N 3.4Å; E762-V765 WeakPolarHBondContact O-CB 3.42Å; E762-V765 PolarHBondContact O-N 3Å; E762-M766 WeakPolarHBondContact O-CG 3.25Å; E762-M766 PolarHBondContact O-N 2.91Å; E762-L858 WeakPolarHBondContact OE2-CA 3.3Å; E762-K860 WeakPolarHBondContact OE1-CE 3.33Å; E762-K860 IonicContact OE1-NZ 3.96Å
763	A	73.9	Confident	71	Confident	2 Å²	2	54.6 Å²	54.6	2%	0.017	29%	0.29	C	S	.	.	H	α-helix	trans	-63.5	-33.2	175	0	0	0	0	0	113	L704 I759 L760 M766 A767 L777 I780 L788	L704-A763 HydrophobicContact CD1-CB 4.37Å; L704-A763 HydrophobicContact CD2-CB 4.19Å; I759-A763 WeakPolarHBondContact O-CB 3.38Å; I759-A763 PolarHBondContact O-N 3.43Å; L760-A763 PolarHBondContact O-N 3.45Å; A763-M766 PolarHBondContact O-N 3.38Å; A763-A767 PolarHBondContact O-N 2.95Å; A763-L777 HydrophobicContact CB-CD2 3.86Å; A763-L777 WeakPolarHBondContact O-CD2 3.45Å; A763-I780 HydrophobicContact CB-CD1 3.86Å; A763-L788 HydrophobicContact CB-CD2 4.2Å
764	Y	73.6	Confident	72.7	Confident	79 Å²	79	49.3 Å²	49.3	31%	0.31	26%	0.255	S	S	.	.	H	α-helix	trans	-61.3	-44.8	173.9	-158.3	-87.2	0	0	0	111.2	N700 A702 L704 L760 D761 E762 A767 S768	N700-Y764 HydrophobicContact CB-CE1 4.06Å; N700-Y764 WeakPolarHBondContact O-CE1 3.03Å; N700-Y764 PolarHBondContact O-OH 2.75Å; A702-Y764 HydrophobicContact CB-CD1 3.98Å; A702-Y764 HydrophobicContact CB-CE1 3.63Å; A702-Y764 PolarHBondContact N-OH 3.08Å; A702-Y764 WeakPolarHBondContact O-CE1 3.44Å; A702-Y764 WeakPolarHBondContact O-CE2 3.41Å; A702-Y764 PolarHBondContact O-OH 2.02Å; A702-Y764 VanDerWaalsContact O-OH 3.07Å; L704-Y764 HydrophobicContact CB-CD2 4.07Å; L704-Y764 HydrophobicContact CD2-CD2 4.48Å; L760-Y764 WeakPolarHBondContact O-CB 3.05Å; L760-Y764 PolarHBondContact O-N 2.91Å; D761-Y764 WeakPolarHBondContact O-CB 3.31Å; D761-Y764 PolarHBondContact O-N 3.21Å; E762-Y764 VanDerWaalsContact C-N 3.29Å; E762-Y764 PolarHBondContact O-N 3.4Å; Y764-A767 PolarHBondContact O-N 2.78Å; Y764-S768 PolarHBondContact O-N 3.43Å; Y764-S768 VanDerWaalsContact O-N 3.09Å
765	V	71.9	Confident	74.4	Confident	17 Å²	17	43.1 Å²	43.1	10%	0.103	23%	0.229	C	C	.	.	H	α-helix	trans	-60.1	-46.8	172.2	171.5	0	0	0	0	110.7	D761 E762 A767 S768 V769 L833	D761-V765 PolarHBondContact O-N 3.49Å; E762-V765 WeakPolarHBondContact O-CB 3.42Å; E762-V765 PolarHBondContact O-N 3Å; V765-A767 VanDerWaalsContact C-N 3.26Å; V765-A767 PolarHBondContact O-N 2.85Å; V765-S768 WeakPolarHBondContact O-CB 3.34Å; V765-S768 PolarHBondContact O-N 2.78Å; V765-S768 PolarHBondContact O-OG 2.98Å; V765-V769 PolarHBondContact O-N 2.95Å; V765-L833 HydrophobicContact CG1-CD1 3.53Å; V765-L833 HydrophobicContact CG1-CD2 3.5Å; V765-L833 HydrophobicContact CG1-CG 4.16Å
766	M	74.8	Confident	75.7	Confident	8 Å²	8	47.2 Å²	47.2	4%	0.039	24%	0.238	C	C	.	.	H	α-helix	trans	-63.7	-25.8	177.4	-60.8	-178.9	79.7	0	0	114.5	E762 A763 L777 L788 F856 G857	E762-M766 WeakPolarHBondContact O-CG 3.25Å; E762-M766 PolarHBondContact O-N 2.91Å; A763-M766 PolarHBondContact O-N 3.38Å; M766-L777 HydrophobicContact CB-CB 3.74Å; M766-L777 HydrophobicContact CB-CD2 4.16Å; M766-L777 WeakPolarHBondContact O-CB 3.06Å; M766-L777 PolarHBondContact O-N 3.49Å; M766-L788 HydrophobicContact SD-CD1 4.3Å; M766-F856 HydrophobicContact CB-CE2 4.1Å; M766-F856 HydrophobicContact CB-CZ 4.03Å; M766-F856 HydrophobicContact CE-CE1 4.39Å; M766-F856 HydrophobicContact CE-CZ 4.4Å; M766-F856 HydrophobicContact CG-CD2 4.28Å; M766-F856 HydrophobicContact CG-CE2 3.69Å; M766-F856 HydrophobicContact CG-CZ 3.93Å; M766-G857 WeakPolarHBondContact SD-CA 3.24Å
767	A	75.4	Confident	76.7	Confident	6 Å²	6	44.6 Å²	44.6	5%	0.05	22%	0.224	C	C	.	.	H	α-helix	trans	-83.1	-18.1	173.5	0	0	0	0	0	113	L704 A763 Y764 V765 R776 L777	L704-A767 HydrophobicContact CB-CB 4.43Å; L704-A767 HydrophobicContact CD1-CB 3.8Å; A763-A767 PolarHBondContact O-N 2.95Å; Y764-A767 PolarHBondContact O-N 2.78Å; V765-A767 VanDerWaalsContact C-N 3.26Å; V765-A767 PolarHBondContact O-N 2.85Å; A767-R776 VanDerWaalsContact O-CZ 3.31Å; A767-R776 PolarHBondContact O-NE 3.18Å; A767-R776 PolarHBondContact O-NH2 3.18Å; A767-L777 HydrophobicContact CB-CB 4.47Å
768	S	73.3	Confident	77.5	Confident	39 Å²	39	40 Å²	40	27%	0.273	20%	0.204	S	C	.	.	H	α-helix	trans	-82.3	-25.6	-178.7	81.5	0	0	0	0	114.6	A702 Y764 V765	A702-S768 VanDerWaalsContact CB-CB 3.42Å; Y764-S768 PolarHBondContact O-N 3.43Å; Y764-S768 VanDerWaalsContact O-N 3.09Å; V765-S768 WeakPolarHBondContact O-CB 3.34Å; V765-S768 PolarHBondContact O-N 2.78Å; V765-S768 PolarHBondContact O-OG 2.98Å
769	V	75.9	Confident	78.3	Confident	1 Å²	1	36.7 Å²	36.7	1%	0.006	19%	0.189	C	C	.	.			trans	-70.2	139	-175.7	-63.2	0	0	0	0	111.7	V765 V774 R776 Y827 L828 L833 F856	V765-V769 PolarHBondContact O-N 2.95Å; V769-V774 HydrophobicContact CB-CG1 4.45Å; V769-V774 HydrophobicContact CG2-CG1 4.05Å; V769-R776 VanDerWaalsContact O-CD 3.29Å; V769-R776 WeakPolarHBondContact O-CD 3.41Å; V769-R776 WeakPolarHBondContact O-CG 3.04Å; V769-Y827 HydrophobicContact CB-CE1 4.04Å; V769-Y827 HydrophobicContact CG1-CE1 4.15Å; V769-L828 HydrophobicContact CG1-CD2 4.4Å; V769-L833 HydrophobicContact CG1-CD1 4.05Å; V769-F856 HydrophobicContact CG1-CE2 4.11Å; V769-F856 HydrophobicContact CG1-CZ 4.22Å; V769-F856 HydrophobicContact CG2-CE1 4.45Å; V769-F856 HydrophobicContact CG2-CE2 4.32Å; V769-F856 HydrophobicContact CG2-CZ 3.63Å
770	D	78.9	Confident	79.1	Confident	117 Å²	117	35 Å²	35	63%	0.626	18%	0.181	S	C	*	.			trans	-144.7	93.6	-179.9	-167.4	7.4	0	0	0	108.1	Y827	D770-Y827 PolarHBondContact N-OH 3.08Å; D770-Y827 VanDerWaalsContact O-CE2 3.29Å; D770-Y827 WeakPolarHBondContact O-CE2 3.35Å; D770-Y827 VanDerWaalsContact O-CZ 3.23Å; D770-Y827 PolarHBondContact O-OH 3.28Å
771	N	85.9	Confident	79.7	Confident	32 Å²	32	32.4 Å²	32.4	17%	0.171	17%	0.167	C	C	.	.			trans	-155.6	138.2	-177.7	-175.2	-76.2	0	0	0	109.7	H773 V774 Y827	N771-H773 PolarHBondContact O-N 3.44Å; N771-H773 VanDerWaalsContact O-N 3.09Å; N771-H773 PolarHBondContact OD1-N 3.49Å; N771-V774 HydrophobicContact CB-CB 4.24Å; N771-V774 HydrophobicContact CB-CG2 4.07Å; N771-V774 PolarHBondContact O-N 2.04Å; N771-Y827 HydrophobicContact CB-CD1 3.71Å; N771-Y827 HydrophobicContact CB-CD2 3.92Å; N771-Y827 HydrophobicContact CB-CE1 3.89Å; N771-Y827 HydrophobicContact CB-CE2 4.03Å; N771-Y827 HydrophobicContact CB-CG 3.73Å; N771-Y827 VanDerWaalsContact ND2-CB 3.27Å; N771-Y827 WeakPolarHBondContact ND2-CB 3.44Å; N771-Y827 VanDerWaalsContact ND2-CD2 3.25Å; N771-Y827 WeakPolarHBondContact ND2-CD2 3.33Å
772	P	86.9	Confident	80.1	Confident	82 Å²	82	31.9 Å²	31.9	53%	0.532	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-15.9	-178	26	-36	0	0	0	114.8	H850	P772-H850 PolarHBondContact O-CE1 3.14Å; P772-H850 PolarHBondContact O-NE2 2.78Å
773	H	93.6	Very high	80.3	Confident	27 Å²	27	33.1 Å²	33.1	13%	0.125	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.1	16	179.9	-59.8	-58.1	0	0	0	113.6	N771 Q820 H850 V851 K852 I853	N771-H773 PolarHBondContact O-N 3.44Å; N771-H773 VanDerWaalsContact O-N 3.09Å; N771-H773 PolarHBondContact OD1-N 3.49Å; H773-Q820 VanDerWaalsContact CE1-CG 3.43Å; H773-Q820 WeakPolarHBondContact CE1-CG 3.13Å; H773-Q820 PolarHBondContact CE1-OE1 2.99Å; H773-Q820 PolarHBondContact ND1-OE1 2.9Å; H773-H850 AromaticContact CE1-CD2 3.78Å; H773-H850 AromaticContact CE1-NE2 3.88Å; H773-H850 AromaticContact ND1-CD2 3.71Å; H773-H850 AromaticContact ND1-NE2 3.74Å; H773-V851 PolarHBondContact ND1-O 3.23Å; H773-K852 CarbonylContact O-C 3.17Å; H773-K852 WeakPolarHBondContact O-CA 3.29Å; H773-I853 PolarHBondContact O-N 2.91Å
774	V	89.6	Confident	80.1	Confident	5 Å²	5	38.6 Å²	38.6	3%	0.03	21%	0.212	C	C	.	.	B	Isolated β-bridge	trans	-130.1	136.1	174.3	-174.2	0	0	0	0	109.9	V769 N771 R776 Y827 F856	V769-V774 HydrophobicContact CB-CG1 4.45Å; V769-V774 HydrophobicContact CG2-CG1 4.05Å; N771-V774 HydrophobicContact CB-CB 4.24Å; N771-V774 HydrophobicContact CB-CG2 4.07Å; N771-V774 PolarHBondContact O-N 2.04Å; V774-R776 PolarHBondContact O-N 3.38Å; V774-Y827 HydrophobicContact CG2-CD1 4.38Å; V774-F856 HydrophobicContact CG1-CD1 4.11Å; V774-F856 HydrophobicContact CG1-CE1 3.6Å; V774-F856 HydrophobicContact CG1-CZ 4.06Å
775	C	86.6	Confident	80.1	Confident	6 Å²	6	36.8 Å²	36.8	4%	0.041	21%	0.209	C	C	.	.			trans	-77.6	115.4	178.8	-72	0	0	0	0	111.3	K852 I853 F856	C775-K852 WeakPolarHBondContact SG-CB 3.33Å; C775-I853 WeakPolarHBondContact CB-O 3.42Å; C775-I853 PolarHBondContact N-O 2.93Å; C775-I853 PolarHBondContact SG-O 3.49Å; C775-F856 WeakPolarHBondContact O-CE1 3.37Å
776	R	83.5	Confident	80.5	Confident	116 Å²	116	36.4 Å²	36.4	44%	0.438	21%	0.207	S	C	.	.			trans	-79.8	142.8	176.8	-169.8	177.3	-174.8	159.4	8.3	112.3	A767 V769 V774	A767-R776 VanDerWaalsContact O-CZ 3.31Å; A767-R776 PolarHBondContact O-NE 3.18Å; A767-R776 PolarHBondContact O-NH2 3.18Å; V769-R776 VanDerWaalsContact O-CD 3.29Å; V769-R776 WeakPolarHBondContact O-CD 3.41Å; V769-R776 WeakPolarHBondContact O-CG 3.04Å; V774-R776 PolarHBondContact O-N 3.38Å
777	L	83.9	Confident	81	Confident	4 Å²	4	36 Å²	36	2%	0.021	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	130	167.7	-172.5	71.6	0	0	0	110.6	L704 A763 M766 A767 G779 L788 I789 T790	L704-L777 HydrophobicContact CD1-CD2 3.8Å; A763-L777 HydrophobicContact CB-CD2 3.86Å; A763-L777 WeakPolarHBondContact O-CD2 3.45Å; M766-L777 HydrophobicContact CB-CB 3.74Å; M766-L777 HydrophobicContact CB-CD2 4.16Å; M766-L777 WeakPolarHBondContact O-CB 3.06Å; M766-L777 PolarHBondContact O-N 3.49Å; A767-L777 HydrophobicContact CB-CB 4.47Å; L777-G779 WeakPolarHBondContact CD1-O 3.43Å; L777-L788 HydrophobicContact CD1-CB 3.78Å; L777-L788 HydrophobicContact CD1-CD2 4.04Å; L777-L788 HydrophobicContact CD1-CG 4.44Å; L777-L788 HydrophobicContact CD2-CD2 4.08Å; L777-I789 WeakPolarHBondContact CD1-O 3.41Å; L777-T790 HydrophobicContact CD1-CG2 4.11Å
778	L	81.3	Confident	81.4	Confident	22 Å²	22	36.5 Å²	36.5	12%	0.115	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	-30.7	-177.8	-46.1	-171.8	0	0	0	112	V742 I789 L1017	V742-L778 HydrophobicContact CG1-CD1 4.14Å; L778-I789 HydrophobicContact CB-CG2 4.47Å; L778-I789 WeakPolarHBondContact CB-O 3.33Å; L778-I789 PolarHBondContact N-O 2.95Å; L778-L1017 HydrophobicContact CD1-CD1 3.84Å; L778-L1017 HydrophobicContact CD2-CD1 3.26Å; L778-L1017 HydrophobicContact CD2-CD2 3.96Å; L778-L1017 HydrophobicContact CD2-CG 4.25Å; L778-L1017 HydrophobicContact CG-CD1 4.17Å
779	G	80.9	Confident	82	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-179.3	173.7	175.5	0	0	0	0	0	112.2	R705 L777 I789	R705-G779 CarbonylContact O-C 3.31Å; R705-G779 WeakPolarHBondContact O-CA 3.46Å; L777-G779 WeakPolarHBondContact CD1-O 3.43Å; G779-I789 PolarHBondContact N-O 3.2Å; G779-I789 PolarHBondContact O-N 3.41Å
780	I	84.4	Confident	82.5	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	139.7	178.8	-172.4	164.9	0	0	0	109.5	L704 R705 I706 L707 L760 A763 L782 V786 Q787 L788	L704-I780 HydrophobicContact CD1-CB 4.43Å; L704-I780 HydrophobicContact CD1-CG2 3.99Å; L704-I780 HydrophobicContact CD2-CG2 4.04Å; L704-I780 HydrophobicContact CG-CG2 3.95Å; R705-I780 PolarHBondContact O-N 3.06Å; I706-I780 CarbonylContact C-O 3.52Å; I706-I780 WeakPolarHBondContact CA-O 3.4Å; I706-I780 HydrophobicContact CG1-CG2 4.27Å; L707-I780 PolarHBondContact N-O 3.31Å; L760-I780 HydrophobicContact CD2-CD1 4.06Å; A763-I780 HydrophobicContact CB-CD1 3.86Å; I780-L782 HydrophobicContact CD1-CD2 3.82Å; I780-L782 HydrophobicContact CG1-CD2 3.87Å; I780-L782 HydrophobicContact CG1-CG 4.38Å; I780-V786 HydrophobicContact CD1-CG1 3.79Å; I780-V786 HydrophobicContact CG1-CG1 4.03Å; I780-Q787 CarbonylContact C-O 3.59Å; I780-Q787 WeakPolarHBondContact CA-O 3.46Å; I780-L788 HydrophobicContact CB-CD2 4.49Å; I780-L788 HydrophobicContact CD1-CD2 3.86Å; I780-L788 HydrophobicContact CG1-CD2 4.02Å
781	C	83.2	Confident	82.6	Confident	1 Å²	1	30.5 Å²	30.5	1%	0.007	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	131.3	169.3	-164.8	0	0	0	0	109.8	L707 F712 Q787 I789	L707-C781 PolarHBondContact O-SG 2.89Å; F712-C781 HydrophobicContact CE1-CB 3.61Å; F712-C781 HydrophobicContact CZ-CB 3.5Å; F712-C781 VanDerWaalsContact CZ-CB 3.5Å; F712-C781 VanDerWaalsContact CZ-SG 3.54Å; C781-Q787 HydrophobicContact CB-CB 4.14Å; C781-Q787 PolarHBondContact N-O 2.85Å; C781-Q787 PolarHBondContact O-N 3.09Å; C781-I789 HydrophobicContact CB-CD1 4.21Å
782	L	75.6	Confident	82.5	Confident	76 Å²	76	30.6 Å²	30.6	40%	0.398	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	86.8	-175.6	-59.1	174.5	0	0	0	108.5	I706 L760 I780 V786	I706-L782 HydrophobicContact CD1-CD1 4.21Å; I706-L782 HydrophobicContact CG1-CD1 4.49Å; L760-L782 HydrophobicContact CD2-CD1 4.07Å; L760-L782 HydrophobicContact CD2-CD2 4.2Å; I780-L782 HydrophobicContact CD1-CD2 3.82Å; I780-L782 HydrophobicContact CG1-CD2 3.87Å; I780-L782 HydrophobicContact CG1-CG 4.38Å; L782-V786 HydrophobicContact CD2-CG1 4.28Å; L782-V786 HydrophobicContact CD2-CG2 4.22Å
783	T	72.6	Confident	82.4	Confident	56 Å²	56	27.3 Å²	27.3	34%	0.344	15%	0.149	S	C	.	.	S	Bend	trans	-120.8	-147	179.4	59.8	0	0	0	0	109.8	E709 T785	E709-T783 HydrophobicContact CB-CG2 4.17Å; T783-T785 PolarHBondContact N-O 3.05Å; T783-T785 PolarHBondContact O-N 3.45Å; T783-T785 PolarHBondContact OG1-N 2.85Å; T783-T785 PolarHBondContact OG1-O 2.94Å
784	S	69.7	Low	81.6	Confident	117 Å²	117	28.4 Å²	28.4	82%	0.818	16%	0.159	S	C	*	.	S	Bend	trans	-63.5	-21.6	168.6	50.4	0	0	0	0	112.9
785	T	74	Confident	81.2	Confident	40 Å²	40	29.5 Å²	29.5	25%	0.245	16%	0.163	C	C	.	.	S	Bend	trans	-124.4	145.5	167.7	54.9	0	0	0	0	109.7	E746 T783 Q787	E746-T785 HydrophobicContact CG-CG2 4.27Å; E746-T785 WeakPolarHBondContact OE1-CB 3.17Å; E746-T785 PolarHBondContact OE1-OG1 3.07Å; T783-T785 PolarHBondContact N-O 3.05Å; T783-T785 PolarHBondContact O-N 3.45Å; T783-T785 PolarHBondContact OG1-N 2.85Å; T783-T785 PolarHBondContact OG1-O 2.94Å; T785-Q787 PolarHBondContact OG1-NE2 2.78Å; T785-Q787 VanDerWaalsContact OG1-NE2 3.08Å
786	V	79.9	Confident	81.2	Confident	10 Å²	10	30.9 Å²	30.9	6%	0.061	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	128.9	168.2	179	0	0	0	0	108.3	L747 A750 I759 I780 L782	L747-V786 WeakPolarHBondContact CB-O 3.45Å; L747-V786 HydrophobicContact CD1-CB 4.17Å; L747-V786 HydrophobicContact CD1-CG1 4Å; L747-V786 PolarHBondContact N-O 3.06Å; A750-V786 HydrophobicContact CB-CG2 4.28Å; I759-V786 HydrophobicContact CG2-CG1 3.93Å; I780-V786 HydrophobicContact CD1-CG1 3.79Å; I780-V786 HydrophobicContact CG1-CG1 4.03Å; L782-V786 HydrophobicContact CD2-CG1 4.28Å; L782-V786 HydrophobicContact CD2-CG2 4.22Å
787	Q	85.3	Confident	81.5	Confident	0 Å²	0	26.2 Å²	26.2	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	127.9	-178.6	-46.9	179.5	25.1	0	0	109.3	K714 I744 K745 E746 I780 C781 T785 I789	K714-Q787 VanDerWaalsContact NZ-NE2 3.18Å; I744-Q787 HydrophobicContact CG2-CB 4.12Å; K745-Q787 WeakPolarHBondContact O-CA 3.05Å; E746-Q787 HydrophobicContact CB-CG 4.23Å; E746-Q787 HydrophobicContact CG-CG 4.24Å; E746-Q787 PolarHBondContact OE1-NE2 3.02Å; I780-Q787 CarbonylContact C-O 3.59Å; I780-Q787 WeakPolarHBondContact CA-O 3.46Å; C781-Q787 HydrophobicContact CB-CB 4.14Å; C781-Q787 PolarHBondContact N-O 2.85Å; C781-Q787 PolarHBondContact O-N 3.09Å; T785-Q787 PolarHBondContact OG1-NE2 2.78Å; T785-Q787 VanDerWaalsContact OG1-NE2 3.08Å; Q787-I789 WeakPolarHBondContact O-CD1 3.26Å
788	L	84.5	Confident	82	Confident	16 Å²	16	26 Å²	26	8%	0.084	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	128.2	179.1	-62.3	176.5	0	0	0	109.6	K745 L747 A763 M766 L777 I780	K745-L788 HydrophobicContact CB-CB 4.41Å; K745-L788 PolarHBondContact N-O 3.07Å; K745-L788 PolarHBondContact O-N 2.92Å; L747-L788 HydrophobicContact CD1-CD1 4.35Å; L747-L788 HydrophobicContact CD2-CD1 4.35Å; A763-L788 HydrophobicContact CB-CD2 4.2Å; M766-L788 HydrophobicContact SD-CD1 4.3Å; L777-L788 HydrophobicContact CD1-CB 3.78Å; L777-L788 HydrophobicContact CD1-CD2 4.04Å; L777-L788 HydrophobicContact CD1-CG 4.44Å; L777-L788 HydrophobicContact CD2-CD2 4.08Å; I780-L788 HydrophobicContact CB-CD2 4.49Å; I780-L788 HydrophobicContact CD1-CD2 3.86Å; I780-L788 HydrophobicContact CG1-CD2 4.02Å
789	I	86.3	Confident	82.5	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	114.9	-175.5	-61.8	79.9	0	0	0	109.5	L707 F712 V742 I744 L777 L778 G779 C781 Q787	L707-I789 HydrophobicContact CD1-CB 4.18Å; L707-I789 HydrophobicContact CD1-CD1 4.06Å; L707-I789 HydrophobicContact CD1-CG1 3.97Å; L707-I789 HydrophobicContact CD1-CG2 4.33Å; F712-I789 HydrophobicContact CE1-CD1 4.39Å; V742-I789 HydrophobicContact CB-CG2 3.79Å; V742-I789 HydrophobicContact CG1-CG2 3.78Å; V742-I789 HydrophobicContact CG2-CG2 4.13Å; I744-I789 HydrophobicContact CG1-CG1 4.44Å; L777-I789 WeakPolarHBondContact CD1-O 3.41Å; L778-I789 HydrophobicContact CB-CG2 4.47Å; L778-I789 WeakPolarHBondContact CB-O 3.33Å; L778-I789 PolarHBondContact N-O 2.95Å; G779-I789 PolarHBondContact N-O 3.2Å; G779-I789 PolarHBondContact O-N 3.41Å; C781-I789 HydrophobicContact CB-CD1 4.21Å; Q787-I789 WeakPolarHBondContact O-CD1 3.26Å
790	T	85.7	Confident	82.9	Confident	19 Å²	19	30.1 Å²	30.1	12%	0.117	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	168.5	176.1	55.4	0	0	0	0	111.3	V742 A743 L777	V742-T790 CarbonylContact C-O 3.5Å; V742-T790 WeakPolarHBondContact CA-O 3.47Å; V742-T790 WeakPolarHBondContact CB-O 3.25Å; A743-T790 PolarHBondContact N-O 3.18Å; A743-T790 PolarHBondContact O-N 3.36Å; L777-T790 HydrophobicContact CD1-CG2 4.11Å
791	Q	82.4	Confident	83.2	Confident	12 Å²	12	30.5 Å²	30.5	6%	0.056	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	138.4	169.5	169.5	-179.1	33.5	0	0	110.6	M793 D1012 A1013 D1014	Q791-M793 HydrophobicContact CB-CE 4Å; Q791-M793 HydrophobicContact CG-CE 3.81Å; Q791-M793 HydrophobicContact CG-SD 4.4Å; Q791-M793 PolarHBondContact O-N 3.04Å; Q791-D1012 PolarHBondContact NE2-OD1 3.35Å; Q791-A1013 HydrophobicContact CB-CB 4.03Å; Q791-A1013 HydrophobicContact CG-CB 3.88Å; Q791-D1014 VanDerWaalsContact NE2-CG 3.28Å; Q791-D1014 PolarHBondContact NE2-OD2 3.24Å; Q791-D1014 PolarHBondContact OE1-OD1 3.46Å; Q791-D1014 PolarHBondContact OE1-OD2 3.01Å
792	L	82.4	Confident	83.7	Confident	33 Å²	33	30.5 Å²	30.5	17%	0.173	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-72.6	122.8	169.4	-177.6	66.9	0	0	0	111.2	L718 K728 P741 A743	L718-L792 HydrophobicContact CD1-CD1 3.52Å; K728-L792 HydrophobicContact CD-CD2 4.26Å; K728-L792 HydrophobicContact CG-CD2 3.92Å; P741-L792 HydrophobicContact CB-CB 4.41Å; P741-L792 HydrophobicContact CB-CD2 4.18Å; A743-L792 HydrophobicContact CB-CD1 4.41Å
793	M	85.4	Confident	84.4	Confident	13 Å²	13	32.2 Å²	32.2	6%	0.064	19%	0.187	C	C	.	.	P	Polyproline II helix	trans	-93.4	126.3	172.1	-59.6	-62.2	161.8	0	0	110.1	Q791 F795 G796 L844 K846 K852	Q791-M793 HydrophobicContact CB-CE 4Å; Q791-M793 HydrophobicContact CG-CE 3.81Å; Q791-M793 HydrophobicContact CG-SD 4.4Å; Q791-M793 PolarHBondContact O-N 3.04Å; M793-F795 PolarHBondContact O-N 2.95Å; M793-G796 PolarHBondContact O-N 2.79Å; M793-L844 HydrophobicContact CB-CB 3.92Å; M793-L844 HydrophobicContact CB-CD1 4.15Å; M793-L844 HydrophobicContact CG-CB 3.66Å; M793-L844 HydrophobicContact CG-CD1 3.62Å; M793-L844 HydrophobicContact CG-CG 4.29Å; M793-K846 HydrophobicContact SD-CB 4.02Å; M793-K846 HydrophobicContact SD-CG 4.24Å; M793-K852 HydrophobicContact CE-CD 3.74Å
794	P	76.4	Confident	85.2	Confident	50 Å²	50	35.5 Å²	35.5	33%	0.325	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-26.6	-165.6	27.4	-35	0	0	0	114.7	K846 Y998	P794-K846 WeakPolarHBondContact CG-O 3.37Å; P794-Y998 HydrophobicContact CB-CE1 4.2Å
795	F	81.8	Confident	86.1	Confident	29 Å²	29	32 Å²	32	13%	0.127	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.7	10.6	-178.6	-64.5	-81.3	0	0	0	113.6	M793 Y801 V845 K846 Y998	M793-F795 PolarHBondContact O-N 2.95Å; F795-Y801 HydrophobicContact CB-CD2 4.01Å; F795-Y801 HydrophobicContact CB-CE2 4.28Å; F795-Y801 HydrophobicContact CD1-CD2 4.2Å; F795-Y801 AromaticContact CD1-CE2 3.74Å; F795-Y801 HydrophobicContact CD1-CE2 3.74Å; F795-Y801 HydrophobicContact CE1-CE2 4.35Å; F795-Y801 HydrophobicContact CG-CD2 4.41Å; F795-Y801 HydrophobicContact CG-CE2 4.19Å; F795-V845 HydrophobicContact CB-CB 3.7Å; F795-V845 HydrophobicContact CB-CG1 3.65Å; F795-V845 HydrophobicContact CD2-CG1 4.04Å; F795-V845 HydrophobicContact CG-CG1 4.06Å; F795-V845 PolarHBondContact N-O 2.89Å; F795-K846 WeakPolarHBondContact CD2-O 3.24Å; F795-Y998 HydrophobicContact CE1-CE2 4.37Å; F795-Y998 HydrophobicContact CE2-CE2 4.48Å; F795-Y998 AromaticContact CE2-CZ 3.95Å; F795-Y998 WeakPolarHBondContact CE2-OH 3.37Å; F795-Y998 AromaticContact CZ-CE2 3.74Å; F795-Y998 HydrophobicContact CZ-CE2 3.74Å; F795-Y998 AromaticContact CZ-CZ 3.64Å; F795-Y998 WeakPolarHBondContact CZ-OH 3.35Å
796	G	86.3	Confident	86.6	Confident	35 Å²	35	34.9 Å²	34.9	36%	0.361	18%	0.178	S	C	.	.			trans	67.1	-142	179.2	0	0	0	0	0	113.6	M793 L844 V845	M793-G796 PolarHBondContact O-N 2.79Å; G796-L844 WeakPolarHBondContact O-CA 3.14Å; G796-V845 PolarHBondContact O-N 3.25Å
797	C	89.1	Confident	86.8	Confident	17 Å²	17	40.2 Å²	40.2	12%	0.115	21%	0.207	C	C	.	.	B	Isolated β-bridge	trans	-94.1	151.3	-178.9	88.5	0	0	0	0	112.9	L799 D800 Y801 R841 V843 L844	C797-L799 VanDerWaalsContact C-N 3.29Å; C797-L799 PolarHBondContact O-N 2.94Å; C797-D800 PolarHBondContact O-N 2.85Å; C797-D800 PolarHBondContact SG-OD2 3.06Å; C797-Y801 WeakPolarHBondContact O-CB 3.31Å; C797-Y801 PolarHBondContact O-N 3.01Å; C797-R841 VanDerWaalsContact CB-O 3.26Å; C797-R841 WeakPolarHBondContact CB-O 3.42Å; C797-V843 CarbonylContact C-O 3.6Å; C797-V843 WeakPolarHBondContact CA-O 3.36Å; C797-L844 HydrophobicContact CB-CD2 4.13Å
798	L	94.2	Very high	86.7	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-66.2	-31.8	-176.2	-174.6	61.2	0	0	0	112	D800 Y801 V802 W817 I821 V843 V845 V851 L907	L798-D800 PolarHBondContact O-N 3.24Å; L798-Y801 HydrophobicContact CD1-CD1 4.43Å; L798-V802 HydrophobicContact CD1-CG2 3.66Å; L798-V802 HydrophobicContact CG-CG2 4.04Å; L798-V802 VanDerWaalsContact O-CB 3.28Å; L798-V802 WeakPolarHBondContact O-CB 3.31Å; L798-V802 WeakPolarHBondContact O-CG2 3.42Å; L798-V802 PolarHBondContact O-N 2.59Å; L798-W817 HydrophobicContact CD1-CD2 3.95Å; L798-W817 HydrophobicContact CD1-CE3 3.95Å; L798-W817 HydrophobicContact CD1-CG 4.49Å; L798-W817 HydrophobicContact CD1-CH2 4.39Å; L798-W817 HydrophobicContact CD1-CZ2 4.4Å; L798-W817 HydrophobicContact CD1-CZ3 4.18Å; L798-W817 HydrophobicContact CD2-CB 4.34Å; L798-W817 HydrophobicContact CD2-CG 4.49Å; L798-I821 HydrophobicContact CD2-CD1 4.2Å; L798-V843 HydrophobicContact CB-CB 4.06Å; L798-V843 HydrophobicContact CB-CG1 4.11Å; L798-V843 WeakPolarHBondContact CB-O 3.31Å; L798-V843 HydrophobicContact CD2-CB 4.18Å; L798-V843 HydrophobicContact CD2-CG1 3.74Å; L798-V843 PolarHBondContact N-O 3.32Å; L798-V845 HydrophobicContact CB-CG2 3.92Å; L798-V845 HydrophobicContact CD1-CG2 3.66Å; L798-V845 HydrophobicContact CG-CG2 4.38Å; L798-V851 HydrophobicContact CD1-CG1 4.25Å; L798-V851 HydrophobicContact CD2-CG1 4.28Å; L798-L907 HydrophobicContact CD2-CD1 4.35Å; L798-L907 HydrophobicContact CD2-CD2 3.55Å; L798-L907 HydrophobicContact CG-CD2 3.73Å
799	L	92.6	Very high	87	Confident	19 Å²	19	43.3 Å²	43.3	10%	0.099	22%	0.223	C	C	.	.	H	α-helix	trans	-58.5	-46.6	175.1	179	62.1	0	0	0	112.6	C797 R803 A840 R841 G911	C797-L799 VanDerWaalsContact C-N 3.29Å; C797-L799 PolarHBondContact O-N 2.94Å; L799-R803 WeakPolarHBondContact O-CD 3.47Å; L799-R803 VanDerWaalsContact O-CG 3.29Å; L799-R803 WeakPolarHBondContact O-CG 3.39Å; L799-R803 PolarHBondContact O-N 2.94Å; L799-A840 HydrophobicContact CB-CB 3.84Å; L799-A840 HydrophobicContact CD1-CB 4.2Å; L799-A840 PolarHBondContact N-O 3.45Å; L799-A840 VanDerWaalsContact N-O 3.08Å; L799-R841 HydrophobicContact CD2-CB 4.14Å; L799-G911 VanDerWaalsContact CD1-CA 3.49Å
800	D	89.9	Confident	87.1	Confident	90 Å²	90	43.5 Å²	43.5	48%	0.481	23%	0.225	S	C	.	.	H	α-helix	trans	-78.4	-39.8	-178.7	-61.4	-38.5	0	0	0	110.9	C797 L798 V802 R803 E804	C797-D800 PolarHBondContact O-N 2.85Å; C797-D800 PolarHBondContact SG-OD2 3.06Å; L798-D800 PolarHBondContact O-N 3.24Å; D800-V802 VanDerWaalsContact C-N 3.32Å; D800-V802 PolarHBondContact O-N 2.9Å; D800-R803 PolarHBondContact O-N 3.32Å; D800-R803 VanDerWaalsContact O-N 3.16Å; D800-R803 IonicContact OD1-NH1 3.44Å; D800-R803 PolarHBondContact OD1-NH1 3.26Å; D800-E804 WeakPolarHBondContact O-CB 3.36Å; D800-E804 PolarHBondContact O-N 2.73Å
801	Y	90.7	Very high	87.4	Confident	7 Å²	7	42.7 Å²	42.7	3%	0.027	22%	0.22	C	C	.	.	H	α-helix	trans	-55.3	-45.1	174.7	-175	-94.8	0	0	0	112.5	F795 C797 L798 E804 H805 W817 V845 L989	F795-Y801 HydrophobicContact CB-CD2 4.01Å; F795-Y801 HydrophobicContact CB-CE2 4.28Å; F795-Y801 HydrophobicContact CD1-CD2 4.2Å; F795-Y801 AromaticContact CD1-CE2 3.74Å; F795-Y801 HydrophobicContact CD1-CE2 3.74Å; F795-Y801 HydrophobicContact CE1-CE2 4.35Å; F795-Y801 HydrophobicContact CG-CD2 4.41Å; F795-Y801 HydrophobicContact CG-CE2 4.19Å; C797-Y801 WeakPolarHBondContact O-CB 3.31Å; C797-Y801 PolarHBondContact O-N 3.01Å; L798-Y801 HydrophobicContact CD1-CD1 4.43Å; Y801-E804 PolarHBondContact O-N 3.3Å; Y801-H805 AromaticContact CD2-CE1 3.85Å; Y801-H805 AromaticContact CD2-ND1 3.7Å; Y801-H805 AromaticContact CE2-CE1 3.65Å; Y801-H805 AromaticContact CE2-ND1 3.66Å; Y801-H805 WeakPolarHBondContact O-CB 3.4Å; Y801-H805 PolarHBondContact O-N 2.9Å; Y801-H805 PolarHBondContact O-ND1 3.14Å; Y801-W817 HydrophobicContact CD1-CH2 4.3Å; Y801-W817 HydrophobicContact CE1-CH2 4.07Å; Y801-W817 HydrophobicContact CE1-CZ2 4.09Å; Y801-V845 HydrophobicContact CD1-CG2 4.35Å; Y801-V845 HydrophobicContact CD2-CG1 4.43Å; Y801-V845 HydrophobicContact CG-CG1 4.49Å; Y801-V845 HydrophobicContact CG-CG2 4.14Å; Y801-L989 HydrophobicContact CE1-CD1 4.33Å
802	V	92.2	Very high	87.9	Confident	1 Å²	1	45.8 Å²	45.8	1%	0.006	23%	0.234	C	C	.	.	H	α-helix	trans	-71.1	-29.2	-179.4	172.5	0	0	0	0	112.5	L798 D800 K806 I809 W817 L907 F910	L798-V802 HydrophobicContact CD1-CG2 3.66Å; L798-V802 HydrophobicContact CG-CG2 4.04Å; L798-V802 VanDerWaalsContact O-CB 3.28Å; L798-V802 WeakPolarHBondContact O-CB 3.31Å; L798-V802 WeakPolarHBondContact O-CG2 3.42Å; L798-V802 PolarHBondContact O-N 2.59Å; D800-V802 VanDerWaalsContact C-N 3.32Å; D800-V802 PolarHBondContact O-N 2.9Å; V802-K806 WeakPolarHBondContact O-CA 3.26Å; V802-K806 PolarHBondContact O-N 3Å; V802-I809 HydrophobicContact CB-CD1 4.2Å; V802-I809 HydrophobicContact CG1-CD1 4.2Å; V802-I809 HydrophobicContact CG2-CD1 4.09Å; V802-W817 HydrophobicContact CG2-CE3 4.28Å; V802-W817 HydrophobicContact CG2-CH2 4.21Å; V802-W817 HydrophobicContact CG2-CZ3 3.64Å; V802-L907 HydrophobicContact CG2-CD2 4.21Å; V802-F910 HydrophobicContact CG1-CB 4.13Å; V802-F910 HydrophobicContact CG1-CD1 3.91Å; V802-F910 HydrophobicContact CG1-CG 4.43Å
803	R	91.8	Very high	88.3	Confident	112 Å²	112	46.3 Å²	46.3	42%	0.423	23%	0.234	S	C	.	.	H	α-helix	trans	-70.9	-46.1	172.5	-72.7	165.6	173.6	164.1	-2.5	111.9	L799 D800 G911	L799-R803 WeakPolarHBondContact O-CD 3.47Å; L799-R803 VanDerWaalsContact O-CG 3.29Å; L799-R803 WeakPolarHBondContact O-CG 3.39Å; L799-R803 PolarHBondContact O-N 2.94Å; D800-R803 PolarHBondContact O-N 3.32Å; D800-R803 VanDerWaalsContact O-N 3.16Å; D800-R803 IonicContact OD1-NH1 3.44Å; D800-R803 PolarHBondContact OD1-NH1 3.26Å; R803-G911 VanDerWaalsContact CZ-O 3.32Å; R803-G911 PolarHBondContact NE-O 2.9Å; R803-G911 PolarHBondContact NH2-O 2.95Å
804	E	89	Confident	88.8	Confident	126 Å²	126	45.7 Å²	45.7	59%	0.589	23%	0.231	S	C	*	.	H	α-helix	trans	-66.3	-38.9	-178.7	-177	176.4	-145.2	0	0	112	D800 Y801	D800-E804 WeakPolarHBondContact O-CB 3.36Å; D800-E804 PolarHBondContact O-N 2.73Å; Y801-E804 PolarHBondContact O-N 3.3Å
805	H	87.9	Confident	89.7	Confident	43 Å²	43	43.3 Å²	43.3	20%	0.199	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.3	12.6	-174	-60.9	81.1	0	0	0	114	Y801 D807 N808 I809 L989	Y801-H805 AromaticContact CD2-CE1 3.85Å; Y801-H805 AromaticContact CD2-ND1 3.7Å; Y801-H805 AromaticContact CE2-CE1 3.65Å; Y801-H805 AromaticContact CE2-ND1 3.66Å; Y801-H805 WeakPolarHBondContact O-CB 3.4Å; Y801-H805 PolarHBondContact O-N 2.9Å; Y801-H805 PolarHBondContact O-ND1 3.14Å; H805-D807 VanDerWaalsContact C-N 3.3Å; H805-D807 PolarHBondContact O-N 2.92Å; H805-D807 VanDerWaalsContact O-N 3.08Å; H805-N808 PolarHBondContact O-N 2.98Å; H805-I809 HydrophobicContact CB-CD1 3.86Å; H805-I809 HydrophobicContact CB-CG1 4.12Å; H805-I809 WeakPolarHBondContact O-CG1 3.43Å; H805-I809 PolarHBondContact O-N 3.26Å; H805-L989 HydrophobicContact CB-CD2 4.09Å
806	K	85.8	Confident	90.4	Very high	101 Å²	101	44.7 Å²	44.7	44%	0.439	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-40.1	-52.5	-173	173.3	176	176.5	-170.9	0	114.3	V802 N808 I809 F910	V802-K806 WeakPolarHBondContact O-CA 3.26Å; V802-K806 PolarHBondContact O-N 3Å; K806-N808 PolarHBondContact O-N 2.81Å; K806-I809 PolarHBondContact O-N 3.26Å; K806-F910 HydrophobicContact CB-CB 4.38Å; K806-F910 HydrophobicContact CB-CD1 4.17Å; K806-F910 HydrophobicContact CB-CG 4.45Å; K806-F910 HydrophobicContact CD-CB 3.91Å; K806-F910 HydrophobicContact CD-CG 4.15Å; K806-F910 HydrophobicContact CG-CB 3.88Å; K806-F910 HydrophobicContact CG-CD1 3.74Å; K806-F910 HydrophobicContact CG-CD2 4.28Å; K806-F910 HydrophobicContact CG-CE1 4.31Å; K806-F910 HydrophobicContact CG-CG 3.72Å
807	D	82.9	Confident	90.9	Very high	122 Å²	122	43.1 Å²	43.1	65%	0.652	21%	0.208	S	C	*	.	G	3₁₀ helix	trans	-77.2	-1.5	-172.9	-52.3	-45.2	0	0	0	113.7	H805	H805-D807 VanDerWaalsContact C-N 3.3Å; H805-D807 PolarHBondContact O-N 2.92Å; H805-D807 VanDerWaalsContact O-N 3.08Å
808	N	84.6	Confident	91.3	Very high	81 Å²	81	42.3 Å²	42.3	43%	0.433	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-116	-0.3	178.5	-61	-69	0	0	0	113.3	H805 K806 L989	H805-N808 PolarHBondContact O-N 2.98Å; K806-N808 PolarHBondContact O-N 2.81Å; N808-L989 HydrophobicContact CB-CD2 3.99Å
809	I	89.2	Confident	91.5	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.205	C	C	.	.			trans	-97.1	102.3	-176.7	-68.5	166.6	0	0	0	110.1	V802 H805 K806 L814 W817 F910 L989	V802-I809 HydrophobicContact CB-CD1 4.2Å; V802-I809 HydrophobicContact CG1-CD1 4.2Å; V802-I809 HydrophobicContact CG2-CD1 4.09Å; H805-I809 HydrophobicContact CB-CD1 3.86Å; H805-I809 HydrophobicContact CB-CG1 4.12Å; H805-I809 WeakPolarHBondContact O-CG1 3.43Å; H805-I809 PolarHBondContact O-N 3.26Å; K806-I809 PolarHBondContact O-N 3.26Å; I809-L814 HydrophobicContact CG2-CD1 4.43Å; I809-L814 HydrophobicContact CG2-CD2 3.88Å; I809-L814 HydrophobicContact CG2-CG 3.82Å; I809-W817 HydrophobicContact CD1-CH2 3.91Å; I809-W817 HydrophobicContact CD1-CZ3 4.19Å; I809-W817 HydrophobicContact CG1-CH2 4.06Å; I809-W817 HydrophobicContact CG2-CH2 3.92Å; I809-W817 HydrophobicContact CG2-CZ3 3.76Å; I809-F910 HydrophobicContact CB-CE1 4.11Å; I809-F910 HydrophobicContact CG2-CE1 4.16Å; I809-L989 HydrophobicContact CG1-CD1 4.23Å; I809-L989 HydrophobicContact CG1-CD2 3.95Å; I809-L989 HydrophobicContact CG1-CG 4.45Å
810	G	89.5	Confident	91.7	Very high	4 Å²	4	42.9 Å²	42.9	4%	0.041	21%	0.205	C	C	.	.			trans	-75.4	162.3	172.3	0	0	0	0	0	114.3	Q812 Y813 D984	G810-Q812 VanDerWaalsContact C-N 3.27Å; G810-Q812 PolarHBondContact O-N 2.88Å; G810-Y813 PolarHBondContact O-N 2.68Å; G810-D984 WeakPolarHBondContact CA-OD1 3.31Å
811	S	91.8	Very high	92.1	Very high	2 Å²	2	38.6 Å²	38.6	1%	0.014	18%	0.183	C	C	.	.	H	α-helix	trans	-49.3	-42.3	-177	61.4	0	0	0	0	113.7	Y813 L814 L815 P975 D984	S811-Y813 VanDerWaalsContact C-N 3.29Å; S811-Y813 PolarHBondContact O-N 2.93Å; S811-L814 PolarHBondContact O-N 3.18Å; S811-L815 PolarHBondContact O-N 2.98Å; S811-P975 WeakPolarHBondContact OG-CB 3.45Å; S811-D984 WeakPolarHBondContact CB-OD1 3.45Å; S811-D984 PolarHBondContact N-OD1 2.84Å; S811-D984 VanDerWaalsContact OG-CG 3.27Å; S811-D984 PolarHBondContact OG-OD1 3.38Å; S811-D984 PolarHBondContact OG-OD2 3.39Å
812	Q	91.7	Very high	92.5	Very high	76 Å²	76	38.3 Å²	38.3	36%	0.355	18%	0.181	S	C	.	.	H	α-helix	trans	-59.2	-37.1	179.6	-176.7	70	90.1	0	0	112.5	G810 N816 A972 P975	G810-Q812 VanDerWaalsContact C-N 3.27Å; G810-Q812 PolarHBondContact O-N 2.88Å; Q812-N816 PolarHBondContact NE2-ND2 2.82Å; Q812-N816 PolarHBondContact NE2-OD1 2.64Å; Q812-N816 WeakPolarHBondContact O-CB 3.39Å; Q812-N816 PolarHBondContact O-N 3.35Å; Q812-N816 PolarHBondContact O-ND2 2.03Å; Q812-N816 VanDerWaalsContact O-ND2 3.17Å; Q812-A972 PolarHBondContact NE2-O 2.7Å; Q812-P975 HydrophobicContact CB-CG 4.1Å; Q812-P975 HydrophobicContact CG-CG 4.48Å
813	Y	92.7	Very high	92.7	Very high	44 Å²	44	42.5 Å²	42.5	17%	0.173	20%	0.2	C	C	.	.	H	α-helix	trans	-70.8	-46.3	179.7	-78	-81	0	0	0	111.3	G810 S811 L815 N816 W817 P848 Q849 L989	G810-Y813 PolarHBondContact O-N 2.68Å; S811-Y813 VanDerWaalsContact C-N 3.29Å; S811-Y813 PolarHBondContact O-N 2.93Å; Y813-L815 PolarHBondContact O-N 2.82Å; Y813-N816 PolarHBondContact O-N 2.88Å; Y813-W817 HydrophobicContact CD1-CZ2 4.1Å; Y813-W817 HydrophobicContact CG-CZ2 4.43Å; Y813-W817 VanDerWaalsContact O-CD2 3.29Å; Y813-W817 VanDerWaalsContact O-CG 3.28Å; Y813-W817 PolarHBondContact O-N 2.04Å; Y813-P848 HydrophobicContact CE1-CB 4.32Å; Y813-Q849 HydrophobicContact CE1-CG 4.09Å; Y813-Q849 PolarHBondContact OH-NE2 3.32Å; Y813-L989 HydrophobicContact CD1-CD1 3.83Å; Y813-L989 HydrophobicContact CD2-CD1 4.12Å; Y813-L989 HydrophobicContact CE1-CD1 3.9Å; Y813-L989 HydrophobicContact CE2-CB 4.47Å; Y813-L989 HydrophobicContact CE2-CD1 4.19Å; Y813-L989 HydrophobicContact CE2-CG 4.34Å; Y813-L989 HydrophobicContact CG-CD1 3.95Å
814	L	95	Very high	92.9	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-56.6	-51.9	178	-65.9	170.2	0	0	0	111.6	I809 S811 N816 W817 C818 L907 M908 F910 I938 L979 I981	I809-L814 HydrophobicContact CG2-CD1 4.43Å; I809-L814 HydrophobicContact CG2-CD2 3.88Å; I809-L814 HydrophobicContact CG2-CG 3.82Å; S811-L814 PolarHBondContact O-N 3.18Å; L814-N816 PolarHBondContact O-N 2.04Å; L814-W817 HydrophobicContact CD2-CE3 4.13Å; L814-W817 HydrophobicContact CD2-CZ3 3.98Å; L814-W817 PolarHBondContact O-N 2.98Å; L814-C818 PolarHBondContact O-N 2.03Å; L814-C818 PolarHBondContact O-SG 2.03Å; L814-L907 HydrophobicContact CD2-CB 4.23Å; L814-M908 HydrophobicContact CB-CE 4.11Å; L814-M908 HydrophobicContact CB-SD 4.01Å; L814-M908 HydrophobicContact CD1-SD 4.09Å; L814-F910 HydrophobicContact CD1-CE1 4.26Å; L814-F910 HydrophobicContact CD1-CZ 4.12Å; L814-I938 HydrophobicContact CD1-CD1 3.68Å; L814-L979 HydrophobicContact CB-CD1 3.94Å; L814-L979 HydrophobicContact CD1-CD1 4.05Å; L814-I981 HydrophobicContact CD1-CD1 4.05Å
815	L	95.8	Very high	93.2	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-65.2	-37.1	178.7	-64.3	173.4	0	0	0	112.4	S811 Y813 C818 V819 M908 F968 M971 A972 P975 L979	S811-L815 PolarHBondContact O-N 2.98Å; Y813-L815 PolarHBondContact O-N 2.82Å; L815-C818 WeakPolarHBondContact O-CB 3.31Å; L815-C818 PolarHBondContact O-N 3.31Å; L815-V819 WeakPolarHBondContact O-CG2 3.22Å; L815-V819 PolarHBondContact O-N 3.2Å; L815-M908 HydrophobicContact CD2-CE 3.95Å; L815-F968 HydrophobicContact CD2-CD1 4.04Å; L815-F968 HydrophobicContact CD2-CE1 4.34Å; L815-M971 HydrophobicContact CD1-CB 4.19Å; L815-M971 HydrophobicContact CD2-CB 4.31Å; L815-A972 HydrophobicContact CB-CB 4.03Å; L815-P975 HydrophobicContact CD1-CB 3.88Å; L815-P975 HydrophobicContact CD1-CG 4.43Å; L815-L979 HydrophobicContact CD1-CD1 4.25Å; L815-L979 HydrophobicContact CD1-CG 4.46Å; L815-L979 HydrophobicContact CD2-CD1 4.08Å; L815-L979 HydrophobicContact CD2-CG 4.39Å; L815-L979 HydrophobicContact CG-CD1 3.78Å; L815-L979 HydrophobicContact CG-CG 4.37Å
816	N	95.6	Very high	93.6	Very high	59 Å²	59	30.2 Å²	30.2	32%	0.316	15%	0.148	S	C	.	.	H	α-helix	trans	-65.1	-37.5	175.7	-77.2	-14.1	0	0	0	112.4	Q812 Y813 L814 V819 Q820	Q812-N816 PolarHBondContact NE2-ND2 2.82Å; Q812-N816 PolarHBondContact NE2-OD1 2.64Å; Q812-N816 WeakPolarHBondContact O-CB 3.39Å; Q812-N816 PolarHBondContact O-N 3.35Å; Q812-N816 PolarHBondContact O-ND2 2.03Å; Q812-N816 VanDerWaalsContact O-ND2 3.17Å; Y813-N816 PolarHBondContact O-N 2.88Å; L814-N816 PolarHBondContact O-N 2.04Å; N816-V819 PolarHBondContact O-N 3.41Å; N816-Q820 VanDerWaalsContact O-CG 3.31Å; N816-Q820 WeakPolarHBondContact O-CG 3.27Å; N816-Q820 PolarHBondContact O-N 3.41Å
817	W	97.6	Very high	94	Very high	1 Å²	1	26.9 Å²	26.9	0%	0.004	13%	0.132	C	C	.	.	H	α-helix	trans	-68.4	-39.8	174.3	-61.4	-33.7	0	0	0	111.7	L798 Y801 V802 I809 Y813 L814 V819 Q820 I821 P848 V851 L907 L989	L798-W817 HydrophobicContact CD1-CD2 3.95Å; L798-W817 HydrophobicContact CD1-CE3 3.95Å; L798-W817 HydrophobicContact CD1-CG 4.49Å; L798-W817 HydrophobicContact CD1-CH2 4.39Å; L798-W817 HydrophobicContact CD1-CZ2 4.4Å; L798-W817 HydrophobicContact CD1-CZ3 4.18Å; L798-W817 HydrophobicContact CD2-CB 4.34Å; L798-W817 HydrophobicContact CD2-CG 4.49Å; Y801-W817 HydrophobicContact CD1-CH2 4.3Å; Y801-W817 HydrophobicContact CE1-CH2 4.07Å; Y801-W817 HydrophobicContact CE1-CZ2 4.09Å; V802-W817 HydrophobicContact CG2-CE3 4.28Å; V802-W817 HydrophobicContact CG2-CH2 4.21Å; V802-W817 HydrophobicContact CG2-CZ3 3.64Å; I809-W817 HydrophobicContact CD1-CH2 3.91Å; I809-W817 HydrophobicContact CD1-CZ3 4.19Å; I809-W817 HydrophobicContact CG1-CH2 4.06Å; I809-W817 HydrophobicContact CG2-CH2 3.92Å; I809-W817 HydrophobicContact CG2-CZ3 3.76Å; Y813-W817 HydrophobicContact CD1-CZ2 4.1Å; Y813-W817 HydrophobicContact CG-CZ2 4.43Å; Y813-W817 VanDerWaalsContact O-CD2 3.29Å; Y813-W817 VanDerWaalsContact O-CG 3.28Å; Y813-W817 PolarHBondContact O-N 2.04Å; L814-W817 HydrophobicContact CD2-CE3 4.13Å; L814-W817 HydrophobicContact CD2-CZ3 3.98Å; L814-W817 PolarHBondContact O-N 2.98Å; W817-V819 PolarHBondContact O-N 2.84Å; W817-Q820 PolarHBondContact O-N 2.92Å; W817-Q820 VanDerWaalsContact O-N 3.16Å; W817-I821 VanDerWaalsContact O-CG1 3.3Å; W817-I821 WeakPolarHBondContact O-CG1 3.18Å; W817-I821 PolarHBondContact O-N 2.82Å; W817-P848 WeakPolarHBondContact CZ2-O 3.43Å; W817-P848 PolarHBondContact NE1-O 3.49Å; W817-V851 HydrophobicContact CG-CG1 4.23Å; W817-L907 HydrophobicContact CB-CD1 4.3Å; W817-L989 HydrophobicContact CH2-CD1 4.36Å; W817-L989 HydrophobicContact CZ2-CD1 4.26Å
818	C	97.8	Very high	94.3	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-55	-48.9	171.3	-62.8	0	0	0	0	111.8	L814 L815 Q820 I821 A822 Y900 F968	L814-C818 PolarHBondContact O-N 2.03Å; L814-C818 PolarHBondContact O-SG 2.03Å; L815-C818 WeakPolarHBondContact O-CB 3.31Å; L815-C818 PolarHBondContact O-N 3.31Å; C818-Q820 VanDerWaalsContact C-N 3.32Å; C818-Q820 PolarHBondContact O-N 2.86Å; C818-I821 PolarHBondContact O-N 2.86Å; C818-A822 WeakPolarHBondContact O-CB 3.5Å; C818-A822 PolarHBondContact O-N 2.86Å; C818-Y900 PolarHBondContact O-OH 3.48Å; C818-F968 HydrophobicContact CB-CB 4.48Å; C818-F968 HydrophobicContact CB-CD1 3.74Å; C818-F968 HydrophobicContact CB-CE1 4.06Å; C818-F968 HydrophobicContact CB-CG 4.02Å
819	V	97.8	Very high	94.5	Very high	9 Å²	9	18.9 Å²	18.9	6%	0.055	9%	0.088	C	C	.	.	H	α-helix	trans	-59.6	-39.5	176.3	173	0	0	0	0	112.3	L815 N816 W817 K823 F968 S969 A972	L815-V819 WeakPolarHBondContact O-CG2 3.22Å; L815-V819 PolarHBondContact O-N 3.2Å; N816-V819 PolarHBondContact O-N 3.41Å; W817-V819 PolarHBondContact O-N 2.84Å; V819-K823 HydrophobicContact CG1-CD 4.1Å; V819-K823 WeakPolarHBondContact O-CB 3.27Å; V819-K823 VanDerWaalsContact O-CG 3.27Å; V819-K823 WeakPolarHBondContact O-CG 3.2Å; V819-K823 PolarHBondContact O-N 3.35Å; V819-F968 VanDerWaalsContact CG2-C 3.41Å; V819-F968 HydrophobicContact CG2-CB 3.62Å; V819-S969 WeakPolarHBondContact CG1-OG 3.3Å; V819-A972 HydrophobicContact CG2-CB 4.49Å
820	Q	97.4	Very high	94.5	Very high	22 Å²	22	24.5 Å²	24.5	10%	0.103	12%	0.119	C	C	.	.	H	α-helix	trans	-70.2	-41.8	179.6	-72.4	-178.8	55.4	0	0	112.5	H773 N816 W817 C818 K823 G824 Q849 V851	H773-Q820 VanDerWaalsContact CE1-CG 3.43Å; H773-Q820 WeakPolarHBondContact CE1-CG 3.13Å; H773-Q820 PolarHBondContact CE1-OE1 2.99Å; H773-Q820 PolarHBondContact ND1-OE1 2.9Å; N816-Q820 VanDerWaalsContact O-CG 3.31Å; N816-Q820 WeakPolarHBondContact O-CG 3.27Å; N816-Q820 PolarHBondContact O-N 3.41Å; W817-Q820 PolarHBondContact O-N 2.92Å; W817-Q820 VanDerWaalsContact O-N 3.16Å; C818-Q820 VanDerWaalsContact C-N 3.32Å; C818-Q820 PolarHBondContact O-N 2.86Å; Q820-K823 PolarHBondContact O-N 2.82Å; Q820-G824 PolarHBondContact O-N 2.77Å; Q820-Q849 PolarHBondContact NE2-O 3.07Å; Q820-V851 HydrophobicContact CB-CG2 3.66Å; Q820-V851 HydrophobicContact CG-CG2 4.49Å
821	I	97.8	Very high	94.1	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.005	14%	0.14	C	C	.	.	H	α-helix	trans	-64.7	-45.1	175.5	-62.2	162.5	0	0	0	109.6	L798 W817 C818 K823 G824 M825 L838 V843 V851 I853 Y900 T903 L907	L798-I821 HydrophobicContact CD2-CD1 4.2Å; W817-I821 VanDerWaalsContact O-CG1 3.3Å; W817-I821 WeakPolarHBondContact O-CG1 3.18Å; W817-I821 PolarHBondContact O-N 2.82Å; C818-I821 PolarHBondContact O-N 2.86Å; I821-K823 VanDerWaalsContact C-N 3.3Å; I821-K823 PolarHBondContact O-N 3Å; I821-G824 PolarHBondContact O-N 2.84Å; I821-G824 VanDerWaalsContact O-N 3.13Å; I821-M825 HydrophobicContact CG2-CG 4.37Å; I821-M825 WeakPolarHBondContact O-CG 3.45Å; I821-M825 PolarHBondContact O-N 3.23Å; I821-L838 HydrophobicContact CG2-CD1 4.14Å; I821-L838 HydrophobicContact CG2-CD2 4.39Å; I821-V843 HydrophobicContact CD1-CG1 4.27Å; I821-V843 HydrophobicContact CD1-CG2 4Å; I821-V843 HydrophobicContact CG1-CG1 4.14Å; I821-V843 HydrophobicContact CG1-CG2 4.06Å; I821-V851 HydrophobicContact CG1-CG2 4.42Å; I821-I853 HydrophobicContact CG2-CD1 4.09Å; I821-Y900 HydrophobicContact CB-CE2 4.17Å; I821-Y900 HydrophobicContact CG2-CD2 3.8Å; I821-Y900 HydrophobicContact CG2-CE2 3.95Å; I821-T903 HydrophobicContact CD1-CG2 4.26Å; I821-L907 HydrophobicContact CD1-CD1 4Å
822	A	97.9	Very high	93.7	Very high	0 Å²	0	36 Å²	36	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-60.4	-37.5	176.3	0	0	0	0	0	112.5	C818 M825 N826 Y900 L964 I965	C818-A822 WeakPolarHBondContact O-CB 3.5Å; C818-A822 PolarHBondContact O-N 2.86Å; A822-M825 PolarHBondContact O-N 3.06Å; A822-N826 WeakPolarHBondContact O-CB 3.44Å; A822-N826 PolarHBondContact O-N 2.04Å; A822-Y900 HydrophobicContact CB-CE2 3.95Å; A822-L964 HydrophobicContact CB-CB 4.43Å; A822-I965 HydrophobicContact CB-CG1 3.71Å
823	K	97.3	Very high	93.2	Very high	90 Å²	90	32.6 Å²	32.6	39%	0.391	15%	0.145	S	C	.	.	H	α-helix	trans	-65.8	-40.1	172.4	-76.5	171.1	-179.1	175.7	0	113.5	V819 Q820 I821 Y827 I965	V819-K823 HydrophobicContact CG1-CD 4.1Å; V819-K823 WeakPolarHBondContact O-CB 3.27Å; V819-K823 VanDerWaalsContact O-CG 3.27Å; V819-K823 WeakPolarHBondContact O-CG 3.2Å; V819-K823 PolarHBondContact O-N 3.35Å; Q820-K823 PolarHBondContact O-N 2.82Å; I821-K823 VanDerWaalsContact C-N 3.3Å; I821-K823 PolarHBondContact O-N 3Å; K823-Y827 PolarHBondContact O-N 3.38Å; K823-I965 HydrophobicContact CB-CD1 4.45Å; K823-I965 HydrophobicContact CG-CD1 3.9Å; K823-I965 HydrophobicContact CG-CG1 4.02Å; K823-I965 HydrophobicContact CG-CG2 4.31Å
824	G	95.1	Very high	92.8	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-64.5	-41.3	174.1	0	0	0	0	0	111.9	Q820 I821 Y827 L828	Q820-G824 PolarHBondContact O-N 2.77Å; I821-G824 PolarHBondContact O-N 2.84Å; I821-G824 VanDerWaalsContact O-N 3.13Å; G824-Y827 WeakPolarHBondContact O-CB 3.35Å; G824-Y827 PolarHBondContact O-N 2.94Å; G824-L828 PolarHBondContact O-N 2.85Å
825	M	96	Very high	92.5	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.005	14%	0.137	C	C	.	.	H	α-helix	trans	-73.2	-38.8	179.6	-68.1	-54.1	-59.6	0	0	113.9	I821 A822 Y827 L828 E829 H835 L838 I853 D896 F961	I821-M825 HydrophobicContact CG2-CG 4.37Å; I821-M825 WeakPolarHBondContact O-CG 3.45Å; I821-M825 PolarHBondContact O-N 3.23Å; A822-M825 PolarHBondContact O-N 3.06Å; M825-Y827 PolarHBondContact O-N 3.39Å; M825-L828 HydrophobicContact CE-CD1 4.34Å; M825-L828 PolarHBondContact O-N 3.06Å; M825-L828 HydrophobicContact SD-CD1 3.92Å; M825-E829 PolarHBondContact O-N 3.37Å; M825-H835 HydrophobicContact CE-CB 3.86Å; M825-H835 HydrophobicContact SD-CB 4.36Å; M825-L838 HydrophobicContact CE-CD2 4.11Å; M825-L838 HydrophobicContact CG-CD1 4.5Å; M825-L838 HydrophobicContact CG-CD2 3.73Å; M825-L838 HydrophobicContact SD-CD1 4.02Å; M825-L838 HydrophobicContact SD-CD2 3.8Å; M825-L838 HydrophobicContact SD-CG 4.4Å; M825-I853 HydrophobicContact CG-CD1 3.76Å; M825-I853 HydrophobicContact SD-CD1 3.69Å; M825-D896 HydrophobicContact CE-CB 3.67Å; M825-F961 HydrophobicContact CB-CD1 3.47Å; M825-F961 VanDerWaalsContact CB-CD1 3.47Å; M825-F961 HydrophobicContact CB-CD2 3.9Å; M825-F961 HydrophobicContact CB-CE1 3.39Å; M825-F961 HydrophobicContact CB-CE2 3.83Å; M825-F961 HydrophobicContact CB-CG 3.73Å; M825-F961 HydrophobicContact CB-CZ 3.58Å; M825-F961 HydrophobicContact CE-CE2 4.1Å; M825-F961 HydrophobicContact CE-CZ 3.91Å; M825-F961 HydrophobicContact CG-CD1 4.36Å; M825-F961 HydrophobicContact CG-CE1 3.85Å; M825-F961 HydrophobicContact CG-CZ 3.98Å
826	N	96.6	Very high	92	Very high	21 Å²	21	32.2 Å²	32.2	11%	0.112	14%	0.143	C	C	.	.	H	α-helix	trans	-57.7	-37.1	171.2	-167.5	121.5	0	0	0	111.2	A822 L828 E829 D830 F961 R962 I965	A822-N826 WeakPolarHBondContact O-CB 3.44Å; A822-N826 PolarHBondContact O-N 2.04Å; N826-L828 VanDerWaalsContact C-N 3.34Å; N826-E829 WeakPolarHBondContact O-CB 3.49Å; N826-E829 PolarHBondContact O-N 2.98Å; N826-D830 VanDerWaalsContact ND2-CG 3.34Å; N826-D830 PolarHBondContact ND2-OD1 2.78Å; N826-D830 PolarHBondContact ND2-OD2 2.96Å; N826-D830 WeakPolarHBondContact O-CB 3.44Å; N826-D830 PolarHBondContact O-N 2.86Å; N826-D830 VanDerWaalsContact O-OD2 3.13Å; N826-F961 HydrophobicContact CB-CB 3.8Å; N826-R962 WeakPolarHBondContact OD1-CA 3.49Å; N826-R962 VanDerWaalsContact OD1-CB 3.3Å; N826-R962 WeakPolarHBondContact OD1-CB 3.45Å; N826-R962 PolarHBondContact OD1-N 2.83Å; N826-I965 HydrophobicContact CB-CD1 3.64Å
827	Y	93.6	Very high	91.5	Very high	31 Å²	31	30 Å²	30	12%	0.122	13%	0.131	C	C	.	.	H	α-helix	trans	-67	-34.1	175.5	177.8	-90	0	0	0	112.7	V769 D770 N771 V774 K823 G824 M825 R831	V769-Y827 HydrophobicContact CB-CE1 4.04Å; V769-Y827 HydrophobicContact CG1-CE1 4.15Å; D770-Y827 PolarHBondContact N-OH 3.08Å; D770-Y827 VanDerWaalsContact O-CE2 3.29Å; D770-Y827 WeakPolarHBondContact O-CE2 3.35Å; D770-Y827 VanDerWaalsContact O-CZ 3.23Å; D770-Y827 PolarHBondContact O-OH 3.28Å; N771-Y827 HydrophobicContact CB-CD1 3.71Å; N771-Y827 HydrophobicContact CB-CD2 3.92Å; N771-Y827 HydrophobicContact CB-CE1 3.89Å; N771-Y827 HydrophobicContact CB-CE2 4.03Å; N771-Y827 HydrophobicContact CB-CG 3.73Å; N771-Y827 VanDerWaalsContact ND2-CB 3.27Å; N771-Y827 WeakPolarHBondContact ND2-CB 3.44Å; N771-Y827 VanDerWaalsContact ND2-CD2 3.25Å; N771-Y827 WeakPolarHBondContact ND2-CD2 3.33Å; V774-Y827 HydrophobicContact CG2-CD1 4.38Å; K823-Y827 PolarHBondContact O-N 3.38Å; G824-Y827 WeakPolarHBondContact O-CB 3.35Å; G824-Y827 PolarHBondContact O-N 2.94Å; M825-Y827 PolarHBondContact O-N 3.39Å; Y827-R831 HydrophobicContact CD1-CG 4.27Å; Y827-R831 HydrophobicContact CE1-CG 3.88Å; Y827-R831 HydrophobicContact CE2-CG 4.48Å; Y827-R831 WeakPolarHBondContact O-CB 3.37Å; Y827-R831 WeakPolarHBondContact O-CG 3.15Å; Y827-R831 PolarHBondContact O-N 2.84Å; Y827-R831 VanDerWaalsContact O-N 3.16Å; Y827-R831 PolarHBondContact OH-NE 2.77Å; Y827-R831 PolarHBondContact OH-NH2 3.34Å
828	L	89.7	Confident	91.3	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-70.7	-39.2	172.8	-62.8	180	0	0	0	111.2	V769 G824 M825 N826 R831 R832 L833 H835	V769-L828 HydrophobicContact CG1-CD2 4.4Å; G824-L828 PolarHBondContact O-N 2.85Å; M825-L828 HydrophobicContact CE-CD1 4.34Å; M825-L828 PolarHBondContact O-N 3.06Å; M825-L828 HydrophobicContact SD-CD1 3.92Å; N826-L828 VanDerWaalsContact C-N 3.34Å; L828-R831 CarbonylContact O-C 3.52Å; L828-R831 PolarHBondContact O-N 2.83Å; L828-R831 VanDerWaalsContact O-N 3.16Å; L828-R832 PolarHBondContact O-N 2.82Å; L828-R832 VanDerWaalsContact O-N 3.11Å; L828-L833 CarbonylContact C-O 3.55Å; L828-L833 HydrophobicContact CB-CB 4.2Å; L828-L833 HydrophobicContact CD2-CB 4.19Å; L828-L833 HydrophobicContact CD2-CD1 3.88Å; L828-L833 PolarHBondContact O-N 2.96Å; L828-H835 HydrophobicContact CD1-CB 4.26Å
829	E	89.7	Confident	91.1	Very high	35 Å²	35	29.9 Å²	29.9	16%	0.164	13%	0.131	C	C	.	.	H	α-helix	trans	-58	-52.1	171.2	-171.4	-177.8	175.2	0	0	111.5	M825 N826 R831 R832 H893 F961	M825-E829 PolarHBondContact O-N 3.37Å; N826-E829 WeakPolarHBondContact O-CB 3.49Å; N826-E829 PolarHBondContact O-N 2.98Å; E829-R831 PolarHBondContact O-N 2.88Å; E829-R831 VanDerWaalsContact O-N 3.12Å; E829-R832 PolarHBondContact O-N 2.98Å; E829-H893 HydrophobicContact CG-CB 4.17Å; E829-F961 HydrophobicContact CB-CD2 4.47Å; E829-F961 WeakPolarHBondContact OE2-CD2 3.04Å; E829-F961 PolarHBondContact OE2-N 3.09Å
830	D	87.5	Confident	90.9	Very high	119 Å²	119	29.5 Å²	29.5	64%	0.636	13%	0.129	S	C	*	.	H	α-helix	trans	-58.5	-25.9	175.7	-67.6	-37.1	0	0	0	112.9	N826	N826-D830 VanDerWaalsContact ND2-CG 3.34Å; N826-D830 PolarHBondContact ND2-OD1 2.78Å; N826-D830 PolarHBondContact ND2-OD2 2.96Å; N826-D830 WeakPolarHBondContact O-CB 3.44Å; N826-D830 PolarHBondContact O-N 2.86Å; N826-D830 VanDerWaalsContact O-OD2 3.13Å
831	R	83.1	Confident	90.6	Very high	129 Å²	129	31.7 Å²	31.7	49%	0.487	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	1.5	177.6	-70.7	-63.6	-154.9	-174.6	10.6	114.1	Y827 L828 E829 L833	Y827-R831 HydrophobicContact CD1-CG 4.27Å; Y827-R831 HydrophobicContact CE1-CG 3.88Å; Y827-R831 HydrophobicContact CE2-CG 4.48Å; Y827-R831 WeakPolarHBondContact O-CB 3.37Å; Y827-R831 WeakPolarHBondContact O-CG 3.15Å; Y827-R831 PolarHBondContact O-N 2.84Å; Y827-R831 VanDerWaalsContact O-N 3.16Å; Y827-R831 PolarHBondContact OH-NE 2.77Å; Y827-R831 PolarHBondContact OH-NH2 3.34Å; L828-R831 CarbonylContact O-C 3.52Å; L828-R831 PolarHBondContact O-N 2.83Å; L828-R831 VanDerWaalsContact O-N 3.16Å; E829-R831 PolarHBondContact O-N 2.88Å; E829-R831 VanDerWaalsContact O-N 3.12Å; R831-L833 VanDerWaalsContact C-N 3.26Å; R831-L833 HydrophobicContact CB-CD1 4.02Å; R831-L833 HydrophobicContact CB-CG 3.92Å; R831-L833 PolarHBondContact O-N 2.92Å
832	R	81.6	Confident	90.3	Very high	119 Å²	119	32.1 Å²	32.1	45%	0.449	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.5	32.7	-173.3	-56.1	-174	178.4	-151	2.9	114.3	L828 E829 L861 L862 G863 A864	L828-R832 PolarHBondContact O-N 2.82Å; L828-R832 VanDerWaalsContact O-N 3.11Å; E829-R832 PolarHBondContact O-N 2.98Å; R832-L861 HydrophobicContact CB-CD1 4.09Å; R832-L862 PolarHBondContact O-N 3.12Å; R832-L862 VanDerWaalsContact O-N 3.09Å; R832-G863 PolarHBondContact NH1-O 2.73Å; R832-A864 VanDerWaalsContact NH1-C 3.34Å; R832-A864 PolarHBondContact NH1-O 3.29Å
833	L	82.4	Confident	90.1	Very high	4 Å²	4	32.1 Å²	32.1	2%	0.021	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	125.3	177.1	-57.6	-179.4	0	0	0	110.6	V765 V769 L828 R831 L861 H893	V765-L833 HydrophobicContact CG1-CD1 3.53Å; V765-L833 HydrophobicContact CG1-CD2 3.5Å; V765-L833 HydrophobicContact CG1-CG 4.16Å; V769-L833 HydrophobicContact CG1-CD1 4.05Å; L828-L833 CarbonylContact C-O 3.55Å; L828-L833 HydrophobicContact CB-CB 4.2Å; L828-L833 HydrophobicContact CD2-CB 4.19Å; L828-L833 HydrophobicContact CD2-CD1 3.88Å; L828-L833 PolarHBondContact O-N 2.96Å; R831-L833 VanDerWaalsContact C-N 3.26Å; R831-L833 HydrophobicContact CB-CD1 4.02Å; R831-L833 HydrophobicContact CB-CG 3.92Å; R831-L833 PolarHBondContact O-N 2.92Å; L833-L861 HydrophobicContact CD2-CB 3.99Å; L833-L861 HydrophobicContact CD2-CD1 3.79Å; L833-H893 PolarHBondContact O-CE1 2.88Å; L833-H893 VanDerWaalsContact O-CE1 3.24Å; L833-H893 PolarHBondContact O-ND1 2.85Å
834	V	84.6	Confident	89.9	Confident	3 Å²	3	29.3 Å²	29.3	2%	0.018	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	121.3	174.6	-171.8	0	0	0	0	109	R836 A859 K860 L862 T892 D896	V834-R836 HydrophobicContact CB-CG 4.3Å; V834-R836 HydrophobicContact CG1-CG 3.84Å; V834-A859 WeakPolarHBondContact O-CA 3.18Å; V834-A859 WeakPolarHBondContact O-CB 3.4Å; V834-K860 PolarHBondContact N-O 3.05Å; V834-L862 HydrophobicContact CG2-CD1 3.9Å; V834-L862 HydrophobicContact CG2-CD2 4.5Å; V834-L862 HydrophobicContact CG2-CG 4.14Å; V834-T892 WeakPolarHBondContact CG1-O 3.49Å; V834-D896 WeakPolarHBondContact CA-OD2 3.46Å; V834-D896 WeakPolarHBondContact CG1-OD2 3.41Å
835	H	88.7	Confident	89.7	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	13%	0.127	C	C	.	.			trans	-74.8	-39.3	-171.2	-173.9	-22.7	0	0	0	113.5	M825 L828 D837 I853 T854 F856 D896	M825-H835 HydrophobicContact CE-CB 3.86Å; M825-H835 HydrophobicContact SD-CB 4.36Å; L828-H835 HydrophobicContact CD1-CB 4.26Å; H835-D837 PolarHBondContact CE1-O 3.19Å; H835-D837 PolarHBondContact O-N 2.84Å; H835-I853 WeakPolarHBondContact NE2-CG2 3.24Å; H835-T854 PolarHBondContact CE1-O 2.75Å; H835-T854 PolarHBondContact NE2-O 3.44Å; H835-F856 PolarHBondContact CE1-N 3.23Å; H835-D896 PolarHBondContact N-OD1 3.22Å; H835-D896 PolarHBondContact N-OD2 2.79Å
836	R	85.3	Confident	89.2	Confident	33 Å²	33	31.3 Å²	31.3	13%	0.125	14%	0.136	C	C	.	.	S	Bend	trans	67	-9	172.2	-50	167.4	62.7	-145.5	-1.3	117.1	V834 L858 Y891 D896	V834-R836 HydrophobicContact CB-CG 4.3Å; V834-R836 HydrophobicContact CG1-CG 3.84Å; R836-L858 WeakPolarHBondContact CD-O 3.42Å; R836-L858 PolarHBondContact NH1-O 3.41Å; R836-Y891 HydrophobicContact CB-CD1 3.84Å; R836-Y891 HydrophobicContact CB-CE1 4.15Å; R836-Y891 HydrophobicContact CG-CD1 3.61Å; R836-Y891 HydrophobicContact CG-CE1 4.34Å; R836-Y891 HydrophobicContact CG-CG 3.92Å; R836-D896 PolarHBondContact N-OD1 3.24Å
837	D	85.4	Confident	88.6	Confident	11 Å²	11	32.1 Å²	32.1	6%	0.059	14%	0.142	C	C	.	.			trans	-144.5	46.4	175.5	-168.4	25	0	0	0	111.3	H835 A839 R841 N842 P877	H835-D837 PolarHBondContact CE1-O 3.19Å; H835-D837 PolarHBondContact O-N 2.84Å; D837-A839 PolarHBondContact O-N 2.88Å; D837-R841 IonicContact OD1-CZ 2.66Å; D837-R841 IonicContact OD1-NE 2.73Å; D837-R841 IonicContact OD1-NH2 3.22Å; D837-R841 PolarHBondContact OD1-NH2 3.05Å; D837-N842 PolarHBondContact O-ND2 2.81Å; D837-N842 PolarHBondContact OD2-ND2 2.95Å; D837-P877 HydrophobicContact CB-CG 4.23Å; D837-P877 VanDerWaalsContact OD1-CB 3.23Å; D837-P877 WeakPolarHBondContact OD1-CB 3.33Å; D837-P877 VanDerWaalsContact OD1-CG 3.27Å; D837-P877 WeakPolarHBondContact OD1-CG 3.43Å
838	L	93.3	Very high	88.2	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	14%	0.137	C	C	.	.			trans	-75.7	118.8	173.7	-178.2	66.3	0	0	0	110.3	I821 M825 I853 Y900 T903	I821-L838 HydrophobicContact CG2-CD1 4.14Å; I821-L838 HydrophobicContact CG2-CD2 4.39Å; M825-L838 HydrophobicContact CE-CD2 4.11Å; M825-L838 HydrophobicContact CG-CD1 4.5Å; M825-L838 HydrophobicContact CG-CD2 3.73Å; M825-L838 HydrophobicContact SD-CD1 4.02Å; M825-L838 HydrophobicContact SD-CD2 3.8Å; M825-L838 HydrophobicContact SD-CG 4.4Å; L838-I853 HydrophobicContact CD1-CD1 4.43Å; L838-I853 HydrophobicContact CD1-CG2 4.33Å; L838-Y900 HydrophobicContact CD2-CD2 4.35Å; L838-T903 PolarHBondContact O-OG1 2.9Å
839	A	92.9	Very high	88	Confident	0 Å²	0	35 Å²	35	0%	0	16%	0.157	C	C	.	.	S	Bend	trans	-157.6	160.8	-179.7	0	0	0	0	0	110	D837 R841 N842 V843 W880 T903	D837-A839 PolarHBondContact O-N 2.88Å; A839-R841 HydrophobicContact CB-CG 3.68Å; A839-R841 PolarHBondContact O-N 2.63Å; A839-R841 VanDerWaalsContact O-N 3.1Å; A839-N842 PolarHBondContact O-N 3.4Å; A839-V843 PolarHBondContact O-N 3.18Å; A839-W880 HydrophobicContact CB-CD2 4.31Å; A839-W880 HydrophobicContact CB-CG 4.13Å; A839-T903 WeakPolarHBondContact CA-OG1 3.32Å
840	A	93.4	Very high	88	Confident	1 Å²	1	35.7 Å²	35.7	1%	0.008	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-61.7	-23.8	-179	0	0	0	0	0	113.7	L799 N842 T903 E906	L799-A840 HydrophobicContact CB-CB 3.84Å; L799-A840 HydrophobicContact CD1-CB 4.2Å; L799-A840 PolarHBondContact N-O 3.45Å; L799-A840 VanDerWaalsContact N-O 3.08Å; A840-N842 VanDerWaalsContact C-N 3.3Å; A840-N842 PolarHBondContact O-N 2.83Å; A840-T903 HydrophobicContact CB-CG2 4.47Å; A840-E906 HydrophobicContact CB-CB 3.94Å; A840-E906 WeakPolarHBondContact CB-OE2 3.46Å; A840-E906 PolarHBondContact N-OE2 3.27Å
841	R	91.2	Very high	88.3	Confident	68 Å²	68	30.1 Å²	30.1	26%	0.257	13%	0.13	S	C	.	.	G	3₁₀ helix	trans	-65.7	-27.6	170.6	53.5	159	179.3	-71.1	-6	114.1	C797 L799 D837 A839 W880	C797-R841 VanDerWaalsContact CB-O 3.26Å; C797-R841 WeakPolarHBondContact CB-O 3.42Å; L799-R841 HydrophobicContact CD2-CB 4.14Å; D837-R841 IonicContact OD1-CZ 2.66Å; D837-R841 IonicContact OD1-NE 2.73Å; D837-R841 IonicContact OD1-NH2 3.22Å; D837-R841 PolarHBondContact OD1-NH2 3.05Å; A839-R841 HydrophobicContact CB-CG 3.68Å; A839-R841 PolarHBondContact O-N 2.63Å; A839-R841 VanDerWaalsContact O-N 3.1Å; R841-W880 VanDerWaalsContact NH1-CE2 3.35Å
842	N	91.6	Very high	88.8	Confident	10 Å²	10	24.7 Å²	24.7	5%	0.053	11%	0.11	C	C	.	.	G	3₁₀ helix	trans	-103.5	14.6	-175.1	-66.1	-3.3	0	0	0	111.1	D837 A839 A840 T854 D855	D837-N842 PolarHBondContact O-ND2 2.81Å; D837-N842 PolarHBondContact OD2-ND2 2.95Å; A839-N842 PolarHBondContact O-N 3.4Å; A840-N842 VanDerWaalsContact C-N 3.3Å; A840-N842 PolarHBondContact O-N 2.83Å; N842-T854 WeakPolarHBondContact O-CG2 3.03Å; N842-T854 PolarHBondContact O-N 2.75Å; N842-D855 HydrophobicContact CB-CB 4.48Å
843	V	94.4	Very high	89.4	Confident	0 Å²	0	19.1 Å²	19.1	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	126.2	165.6	-178.8	0	0	0	0	107.2	C797 L798 I821 A839 V851	C797-V843 CarbonylContact C-O 3.6Å; C797-V843 WeakPolarHBondContact CA-O 3.36Å; L798-V843 HydrophobicContact CB-CB 4.06Å; L798-V843 HydrophobicContact CB-CG1 4.11Å; L798-V843 WeakPolarHBondContact CB-O 3.31Å; L798-V843 HydrophobicContact CD2-CB 4.18Å; L798-V843 HydrophobicContact CD2-CG1 3.74Å; L798-V843 PolarHBondContact N-O 3.32Å; I821-V843 HydrophobicContact CD1-CG1 4.27Å; I821-V843 HydrophobicContact CD1-CG2 4Å; I821-V843 HydrophobicContact CG1-CG1 4.14Å; I821-V843 HydrophobicContact CG1-CG2 4.06Å; A839-V843 PolarHBondContact O-N 3.18Å; V843-V851 HydrophobicContact CG1-CB 3.77Å; V843-V851 HydrophobicContact CG1-CG1 4.39Å; V843-V851 HydrophobicContact CG1-CG2 4.1Å
844	L	92.4	Very high	89.6	Confident	30 Å²	30	19.5 Å²	19.5	16%	0.157	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	146.6	179.9	-57.3	-177.7	0	0	0	111.4	M793 G796 C797 V851 K852 T854	M793-L844 HydrophobicContact CB-CB 3.92Å; M793-L844 HydrophobicContact CB-CD1 4.15Å; M793-L844 HydrophobicContact CG-CB 3.66Å; M793-L844 HydrophobicContact CG-CD1 3.62Å; M793-L844 HydrophobicContact CG-CG 4.29Å; G796-L844 WeakPolarHBondContact O-CA 3.14Å; C797-L844 HydrophobicContact CB-CD2 4.13Å; L844-V851 CarbonylContact O-C 3.58Å; L844-V851 VanDerWaalsContact O-CA 3.29Å; L844-V851 WeakPolarHBondContact O-CA 3.44Å; L844-K852 PolarHBondContact N-O 3.46Å; L844-K852 PolarHBondContact O-N 2.65Å; L844-T854 HydrophobicContact CD1-CG2 3.81Å; L844-T854 HydrophobicContact CD2-CG2 3.94Å; L844-T854 HydrophobicContact CG-CG2 3.58Å
845	V	90.6	Very high	89.1	Confident	0 Å²	0	21.2 Å²	21.2	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	113.4	-178.7	-178.8	0	0	0	0	109.3	F795 G796 L798 Y801 T847 V851	F795-V845 HydrophobicContact CB-CB 3.7Å; F795-V845 HydrophobicContact CB-CG1 3.65Å; F795-V845 HydrophobicContact CD2-CG1 4.04Å; F795-V845 HydrophobicContact CG-CG1 4.06Å; F795-V845 PolarHBondContact N-O 2.89Å; G796-V845 PolarHBondContact O-N 3.25Å; L798-V845 HydrophobicContact CB-CG2 3.92Å; L798-V845 HydrophobicContact CD1-CG2 3.66Å; L798-V845 HydrophobicContact CG-CG2 4.38Å; Y801-V845 HydrophobicContact CD1-CG2 4.35Å; Y801-V845 HydrophobicContact CD2-CG1 4.43Å; Y801-V845 HydrophobicContact CG-CG1 4.49Å; Y801-V845 HydrophobicContact CG-CG2 4.14Å; V845-T847 WeakPolarHBondContact CG1-O 3.3Å; V845-V851 HydrophobicContact CG2-CG1 4.17Å
846	K	84.8	Confident	87.8	Confident	44 Å²	44	21.3 Å²	21.3	19%	0.191	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	-47.2	172.7	-173.1	-174.9	176.3	178.2	0	110.6	M793 P794 F795 H850 D1012 D1014	M793-K846 HydrophobicContact SD-CB 4.02Å; M793-K846 HydrophobicContact SD-CG 4.24Å; P794-K846 WeakPolarHBondContact CG-O 3.37Å; F795-K846 WeakPolarHBondContact CD2-O 3.24Å; K846-H850 PolarHBondContact N-O 3.39Å; K846-D1012 IonicContact NZ-OD2 3.94Å; K846-D1014 WeakPolarHBondContact CD-OD2 3.38Å; K846-D1014 VanDerWaalsContact CE-OD2 3.31Å; K846-D1014 WeakPolarHBondContact CE-OD2 3.48Å; K846-D1014 IonicContact NZ-OD2 3.11Å; K846-D1014 PolarHBondContact NZ-OD2 2.75Å
847	T	84.7	Confident	86.3	Confident	37 Å²	37	20.8 Å²	20.8	23%	0.227	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	165.4	171.1	68	0	0	0	0	108.5	V845 Q849 H850	V845-T847 WeakPolarHBondContact CG1-O 3.3Å; T847-Q849 PolarHBondContact O-N 3.25Å; T847-Q849 PolarHBondContact OG1-N 3.03Å; T847-H850 PolarHBondContact N-O 3.27Å; T847-H850 CarbonylContact O-C 3.55Å; T847-H850 PolarHBondContact O-N 3Å; T847-H850 VanDerWaalsContact O-O 3.05Å; T847-H850 WeakPolarHBondContact OG1-CB 3.36Å; T847-H850 PolarHBondContact OG1-N 3.25Å
848	P	84.4	Confident	84.7	Confident	4 Å²	4	22.9 Å²	22.9	3%	0.026	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-27.6	176.5	-25.8	35.1	0	0	0	113.4	Y813 W817 L989	Y813-P848 HydrophobicContact CE1-CB 4.32Å; W817-P848 WeakPolarHBondContact CZ2-O 3.43Å; W817-P848 PolarHBondContact NE1-O 3.49Å; P848-L989 HydrophobicContact CB-CB 4.28Å; P848-L989 HydrophobicContact CB-CD1 3.89Å
849	Q	86.1	Confident	82.9	Confident	89 Å²	89	23 Å²	23	42%	0.416	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-8.7	178.2	-60.3	75.2	22	0	0	114.2	Y813 Q820 T847	Y813-Q849 HydrophobicContact CE1-CG 4.09Å; Y813-Q849 PolarHBondContact OH-NE2 3.32Å; Q820-Q849 PolarHBondContact NE2-O 3.07Å; T847-Q849 PolarHBondContact O-N 3.25Å; T847-Q849 PolarHBondContact OG1-N 3.03Å
850	H	89.8	Confident	81.3	Confident	49 Å²	49	25.3 Å²	25.3	23%	0.227	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	116.8	-172.3	-170.4	-171.7	0	0	0	113.3	P772 H773 K846 T847	P772-H850 PolarHBondContact O-CE1 3.14Å; P772-H850 PolarHBondContact O-NE2 2.78Å; H773-H850 AromaticContact CE1-CD2 3.78Å; H773-H850 AromaticContact CE1-NE2 3.88Å; H773-H850 AromaticContact ND1-CD2 3.71Å; H773-H850 AromaticContact ND1-NE2 3.74Å; K846-H850 PolarHBondContact N-O 3.39Å; T847-H850 PolarHBondContact N-O 3.27Å; T847-H850 CarbonylContact O-C 3.55Å; T847-H850 PolarHBondContact O-N 3Å; T847-H850 VanDerWaalsContact O-O 3.05Å; T847-H850 WeakPolarHBondContact OG1-CB 3.36Å; T847-H850 PolarHBondContact OG1-N 3.25Å
851	V	94.9	Very high	79.1	Confident	2 Å²	2	29.2 Å²	29.2	1%	0.012	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	151	175.5	-60.9	0	0	0	0	112.5	H773 L798 W817 Q820 I821 V843 L844 V845	H773-V851 PolarHBondContact ND1-O 3.23Å; L798-V851 HydrophobicContact CD1-CG1 4.25Å; L798-V851 HydrophobicContact CD2-CG1 4.28Å; W817-V851 HydrophobicContact CG-CG1 4.23Å; Q820-V851 HydrophobicContact CB-CG2 3.66Å; Q820-V851 HydrophobicContact CG-CG2 4.49Å; I821-V851 HydrophobicContact CG1-CG2 4.42Å; V843-V851 HydrophobicContact CG1-CB 3.77Å; V843-V851 HydrophobicContact CG1-CG1 4.39Å; V843-V851 HydrophobicContact CG1-CG2 4.1Å; L844-V851 CarbonylContact O-C 3.58Å; L844-V851 VanDerWaalsContact O-CA 3.29Å; L844-V851 WeakPolarHBondContact O-CA 3.44Å; V845-V851 HydrophobicContact CG2-CG1 4.17Å
852	K	93.1	Very high	77.4	Confident	15 Å²	15	26.6 Å²	26.6	7%	0.065	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	137.5	174.5	-58.7	-168.9	-168.3	173.7	0	110.9	H773 C775 M793 L844 D1014	H773-K852 CarbonylContact O-C 3.17Å; H773-K852 WeakPolarHBondContact O-CA 3.29Å; C775-K852 WeakPolarHBondContact SG-CB 3.33Å; M793-K852 HydrophobicContact CE-CD 3.74Å; L844-K852 PolarHBondContact N-O 3.46Å; L844-K852 PolarHBondContact O-N 2.65Å; K852-D1014 IonicContact NZ-OD1 3.82Å; K852-D1014 PolarHBondContact NZ-OD1 2.68Å; K852-D1014 IonicContact NZ-OD2 2.95Å; K852-D1014 PolarHBondContact NZ-OD2 3.12Å
853	I	92.6	Very high	75.2	Confident	1 Å²	1	27.3 Å²	27.3	1%	0.005	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	138.3	174.9	-57.8	177.9	0	0	0	109.9	H773 C775 I821 M825 H835 L838	H773-I853 PolarHBondContact O-N 2.91Å; C775-I853 WeakPolarHBondContact CB-O 3.42Å; C775-I853 PolarHBondContact N-O 2.93Å; C775-I853 PolarHBondContact SG-O 3.49Å; I821-I853 HydrophobicContact CG2-CD1 4.09Å; M825-I853 HydrophobicContact CG-CD1 3.76Å; M825-I853 HydrophobicContact SD-CD1 3.69Å; H835-I853 WeakPolarHBondContact NE2-CG2 3.24Å; L838-I853 HydrophobicContact CD1-CD1 4.43Å; L838-I853 HydrophobicContact CD1-CG2 4.33Å
854	T	86.9	Confident	72.8	Confident	13 Å²	13	31.6 Å²	31.6	8%	0.08	18%	0.184	C	C	.	.			trans	-132	177.2	179.1	-160.1	0	0	0	0	111.6	H835 N842 L844 F856	H835-T854 PolarHBondContact CE1-O 2.75Å; H835-T854 PolarHBondContact NE2-O 3.44Å; N842-T854 WeakPolarHBondContact O-CG2 3.03Å; N842-T854 PolarHBondContact O-N 2.75Å; L844-T854 HydrophobicContact CD1-CG2 3.81Å; L844-T854 HydrophobicContact CD2-CG2 3.94Å; L844-T854 HydrophobicContact CG-CG2 3.58Å; T854-F856 PolarHBondContact O-N 2.86Å
855	D	74.3	Confident	70.4	Confident	39 Å²	39	39.2 Å²	39.2	21%	0.209	22%	0.219	C	C	.	.			trans	58.9	19.3	172	-84.9	3.1	0	0	0	116.5	K745 N842 G857	K745-D855 IonicContact NZ-OD1 2.8Å; K745-D855 PolarHBondContact NZ-OD1 3.27Å; K745-D855 IonicContact NZ-OD2 3.53Å; K745-D855 PolarHBondContact NZ-OD2 3.02Å; N842-D855 HydrophobicContact CB-CB 4.48Å; D855-G857 PolarHBondContact O-N 2.76Å
856	F	62.8	Low	68.7	Low	2 Å²	2	44.9 Å²	44.9	1%	0.009	25%	0.245	C	C	.	.			trans	-65.5	16.6	155.9	74.5	-80.7	0	0	0	113.2	M766 V769 V774 C775 H835 T854 L858 A859	M766-F856 HydrophobicContact CB-CE2 4.1Å; M766-F856 HydrophobicContact CB-CZ 4.03Å; M766-F856 HydrophobicContact CE-CE1 4.39Å; M766-F856 HydrophobicContact CE-CZ 4.4Å; M766-F856 HydrophobicContact CG-CD2 4.28Å; M766-F856 HydrophobicContact CG-CE2 3.69Å; M766-F856 HydrophobicContact CG-CZ 3.93Å; V769-F856 HydrophobicContact CG1-CE2 4.11Å; V769-F856 HydrophobicContact CG1-CZ 4.22Å; V769-F856 HydrophobicContact CG2-CE1 4.45Å; V769-F856 HydrophobicContact CG2-CE2 4.32Å; V769-F856 HydrophobicContact CG2-CZ 3.63Å; V774-F856 HydrophobicContact CG1-CD1 4.11Å; V774-F856 HydrophobicContact CG1-CE1 3.6Å; V774-F856 HydrophobicContact CG1-CZ 4.06Å; C775-F856 WeakPolarHBondContact O-CE1 3.37Å; H835-F856 PolarHBondContact CE1-N 3.23Å; T854-F856 PolarHBondContact O-N 2.86Å; F856-L858 PolarHBondContact O-N 2.87Å; F856-A859 HydrophobicContact CB-CB 4.11Å; F856-A859 HydrophobicContact CD2-CB 4.21Å; F856-A859 WeakPolarHBondContact O-CB 3.44Å; F856-A859 PolarHBondContact O-N 3.18Å
857	G	53	Low	67.3	Low	21 Å²	21	51.1 Å²	51.1	22%	0.216	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	36.7	171.3	0	0	0	0	0	113.9	M766 D855	M766-G857 WeakPolarHBondContact SD-CA 3.24Å; D855-G857 PolarHBondContact O-N 2.76Å
858	L	52.3	Low	66	Low	56 Å²	56	53.7 Å²	53.7	29%	0.293	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-140.5	5.5	164.6	-64.6	174.3	0	0	0	109.7	F723 E762 R836 F856	F723-L858 HydrophobicContact CD1-CD1 4.32Å; F723-L858 HydrophobicContact CE1-CD1 3.7Å; F723-L858 HydrophobicContact CE2-CD1 4.25Å; F723-L858 HydrophobicContact CZ-CD1 3.66Å; E762-L858 WeakPolarHBondContact OE2-CA 3.3Å; R836-L858 WeakPolarHBondContact CD-O 3.42Å; R836-L858 PolarHBondContact NH1-O 3.41Å; F856-L858 PolarHBondContact O-N 2.87Å
859	A	55.8	Low	64.9	Low	2 Å²	2	56.1 Å²	56.1	2%	0.017	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-78.6	125.2	-176.2	0	0	0	0	0	109.7	V834 F856	V834-A859 WeakPolarHBondContact O-CA 3.18Å; V834-A859 WeakPolarHBondContact O-CB 3.4Å; F856-A859 HydrophobicContact CB-CB 4.11Å; F856-A859 HydrophobicContact CD2-CB 4.21Å; F856-A859 WeakPolarHBondContact O-CB 3.44Å; F856-A859 PolarHBondContact O-N 3.18Å
860	K	57.5	Low	63.8	Low	49 Å²	49	57.5 Å²	57.5	21%	0.213	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	141.7	173.8	-63.9	-153.2	171.6	-176.8	0	110.1	E758 E762 V834 Y869	E758-K860 IonicContact OE2-NZ 2.74Å; E758-K860 PolarHBondContact OE2-NZ 3.1Å; E762-K860 WeakPolarHBondContact OE1-CE 3.33Å; E762-K860 IonicContact OE1-NZ 3.96Å; V834-K860 PolarHBondContact N-O 3.05Å; K860-Y869 HydrophobicContact CD-CD2 4.45Å; K860-Y869 HydrophobicContact CD-CE1 4Å; K860-Y869 HydrophobicContact CD-CE2 3.89Å; K860-Y869 HydrophobicContact CG-CE1 4.39Å
861	L	48.4	Very low	62.4	Low	83 Å²	83	55.9 Å²	55.9	44%	0.435	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	125.1	169.2	178.9	66.8	0	0	0	107.8	R832 L833	R832-L861 HydrophobicContact CB-CD1 4.09Å; L833-L861 HydrophobicContact CD2-CB 3.99Å; L833-L861 HydrophobicContact CD2-CD1 3.79Å
862	L	54.5	Low	60.3	Low	12 Å²	12	64.5 Å²	64.5	6%	0.063	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-73.7	139.9	172.4	-64.5	172.6	0	0	0	110	R832 V834	R832-L862 PolarHBondContact O-N 3.12Å; R832-L862 VanDerWaalsContact O-N 3.09Å; V834-L862 HydrophobicContact CG2-CD1 3.9Å; V834-L862 HydrophobicContact CG2-CD2 4.5Å; V834-L862 HydrophobicContact CG2-CG 4.14Å
863	G	46	Very low	58.4	Low	26 Å²	26	65.7 Å²	65.7	27%	0.268	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-58.4	172.5	176.8	0	0	0	0	0	114.3	R832 E865 E866	R832-G863 PolarHBondContact NH1-O 2.73Å; G863-E865 PolarHBondContact O-N 3.2Å; G863-E866 WeakPolarHBondContact CA-OE2 3.42Å; G863-E866 PolarHBondContact N-OE2 3.48Å; G863-E866 PolarHBondContact O-N 3.39Å
864	A	44.7	Very low	56.8	Low	89 Å²	89	68.7 Å²	68.7	74%	0.736	38%	0.38	S	S	*	.	S	Bend	trans	-59.5	-34.8	-177.7	0	0	0	0	0	113	R832	R832-A864 VanDerWaalsContact NH1-C 3.34Å; R832-A864 PolarHBondContact NH1-O 3.29Å
865	E	42.3	Very low	55.5	Low	191 Å²	191	75.5 Å²	75.5	89%	0.893	41%	0.408	S	S	*	.	S	Bend	trans	-112.9	-6.6	-178.3	-55.8	-170.5	157.9	0	0	113.5	G863	G863-E865 PolarHBondContact O-N 3.2Å
866	E	53	Low	55.5	Low	119 Å²	119	75.4 Å²	75.4	56%	0.556	41%	0.409	S	S	*	.			trans	-84.1	137.3	-178.1	-61.8	179	143.5	0	0	111.7	G863	G863-E866 WeakPolarHBondContact CA-OE2 3.42Å; G863-E866 PolarHBondContact N-OE2 3.48Å; G863-E866 PolarHBondContact O-N 3.39Å
867	K	56.1	Low	56.5	Low	175 Å²	175	76.5 Å²	76.5	76%	0.761	42%	0.416	S	S	*	.			trans	-104.8	-17.1	175.6	-64.6	-176.9	-179.2	180	0	113.8
868	E	58.3	Low	58.1	Low	91 Å²	91	77.8 Å²	77.8	43%	0.425	42%	0.418	S	S	.	.			trans	-141	147.4	-167.5	-48.7	-165.9	174.6	0	0	110.7	I890 T892	E868-I890 HydrophobicContact CB-CG2 4.29Å; E868-I890 HydrophobicContact CG-CG2 4.47Å; E868-I890 WeakPolarHBondContact OE2-CG2 2.99Å; E868-T892 HydrophobicContact CB-CG2 4.06Å; E868-T892 HydrophobicContact CG-CG2 3.73Å
869	Y	60.6	Low	59.9	Low	55 Å²	55	76.3 Å²	76.3	22%	0.216	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	130.8	173.3	175.1	-113.4	0	0	0	111.7	K860 A871 I890 Y891	K860-Y869 HydrophobicContact CD-CD2 4.45Å; K860-Y869 HydrophobicContact CD-CE1 4Å; K860-Y869 HydrophobicContact CD-CE2 3.89Å; K860-Y869 HydrophobicContact CG-CE1 4.39Å; Y869-A871 HydrophobicContact CE1-CB 3.8Å; Y869-I890 CarbonylContact O-C 3.59Å; Y869-Y891 HydrophobicContact CD1-CD2 4.14Å; Y869-Y891 PolarHBondContact N-O 3.09Å; Y869-Y891 PolarHBondContact O-N 2.86Å
870	H	62.6	Low	61.7	Low	118 Å²	118	77.9 Å²	77.9	55%	0.546	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	127.8	172.9	-63	-83.1	0	0	0	111.4	R889 I890	H870-R889 WeakPolarHBondContact CA-O 3.4Å; H870-I890 VanDerWaalsContact CE1-CG1 3.48Å; H870-I890 WeakPolarHBondContact CE1-CG1 3.01Å
871	A	59.9	Low	63.3	Low	14 Å²	14	75.7 Å²	75.7	12%	0.116	41%	0.405	C	S	.	.			trans	-101.1	130	-175.6	0	0	0	0	0	114.7	Y869 G873 R889 Y891	Y869-A871 HydrophobicContact CE1-CB 3.8Å; A871-G873 PolarHBondContact O-N 3.16Å; A871-R889 PolarHBondContact N-O 3.21Å; A871-Y891 HydrophobicContact CB-CD2 4.27Å; A871-Y891 HydrophobicContact CB-CE2 3.62Å
872	E	51.9	Low	65.5	Low	183 Å²	183	71.8 Å²	71.8	86%	0.855	39%	0.385	S	S	*	.			trans	-73.1	60.1	172.5	-63.4	-170.1	151.6	0	0	112.8
873	G	53.3	Low	67.2	Low	41 Å²	41	72 Å²	72	42%	0.423	39%	0.386	S	S	.	.			trans	82.5	-157.2	172	0	0	0	0	0	116	A871	A871-G873 PolarHBondContact O-N 3.16Å
874	G	58.2	Low	69.4	Low	63 Å²	63	72.1 Å²	72.1	65%	0.649	38%	0.379	S	S	*	.			trans	103	169.7	-178.8	0	0	0	0	0	116
875	K	60.3	Low	71.5	Confident	156 Å²	156	68 Å²	68	68%	0.678	35%	0.345	S	S	*	.			trans	-76.7	130.8	172.3	-68.2	169.6	-176.2	157.1	0	109	A722	A722-K875 HydrophobicContact CB-CD 4.41Å
876	V	74	Confident	73.7	Confident	38 Å²	38	60.1 Å²	60.1	23%	0.23	31%	0.309	C	S	.	.			trans	-137.8	153.8	-170.9	-64.3	0	0	0	0	112.8	I878 M881	V876-I878 VanDerWaalsContact C-N 3.29Å; V876-I878 HydrophobicContact CG2-CG1 3.89Å; V876-I878 PolarHBondContact O-N 3.05Å; V876-M881 HydrophobicContact CB-CE 4.23Å; V876-M881 HydrophobicContact CB-SD 3.65Å; V876-M881 HydrophobicContact CG2-CE 4.14Å; V876-M881 HydrophobicContact CG2-SD 3.7Å
877	P	84.3	Confident	75.3	Confident	24 Å²	24	58 Å²	58	16%	0.156	30%	0.301	C	S	.	.			trans	-84	57.9	-171.6	36.6	-39.8	0	0	0	113	D837 K879 W880 M881	D837-P877 HydrophobicContact CB-CG 4.23Å; D837-P877 VanDerWaalsContact OD1-CB 3.23Å; D837-P877 WeakPolarHBondContact OD1-CB 3.33Å; D837-P877 VanDerWaalsContact OD1-CG 3.27Å; D837-P877 WeakPolarHBondContact OD1-CG 3.43Å; P877-K879 PolarHBondContact O-N 2.89Å; P877-W880 HydrophobicContact CB-CE3 4.25Å; P877-W880 PolarHBondContact O-N 3.12Å; P877-M881 HydrophobicContact CG-CG 4Å; P877-M881 HydrophobicContact CG-SD 4.21Å
878	I	86.3	Confident	76.6	Confident	48 Å²	48	55.3 Å²	55.3	25%	0.246	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-41.8	-41.5	-166	-57.8	179.3	0	0	0	114.9	V876 W880 M881 I886 A920 I923	V876-I878 VanDerWaalsContact C-N 3.29Å; V876-I878 HydrophobicContact CG2-CG1 3.89Å; V876-I878 PolarHBondContact O-N 3.05Å; I878-W880 PolarHBondContact O-N 2.84Å; I878-M881 HydrophobicContact CG1-SD 4.48Å; I878-M881 PolarHBondContact O-N 2.91Å; I878-I886 HydrophobicContact CG2-CD1 3.94Å; I878-I886 HydrophobicContact CG2-CG1 4.12Å; I878-I886 HydrophobicContact CG2-CG2 4.36Å; I878-A920 HydrophobicContact CB-CB 4.49Å; I878-A920 HydrophobicContact CD1-CB 4.27Å; I878-A920 WeakPolarHBondContact CG2-O 3.41Å; I878-I923 HydrophobicContact CG2-CB 3.93Å; I878-I923 HydrophobicContact CG2-CG1 4.26Å; I878-I923 HydrophobicContact CG2-CG2 4.15Å
879	K	90.8	Very high	77.7	Confident	25 Å²	25	54.8 Å²	54.8	11%	0.109	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-69.5	-12.9	-177.6	-59.1	-156.9	174	-163.1	0	116	P877 P914 Y915 I918 I923	P877-K879 PolarHBondContact O-N 2.89Å; K879-P914 HydrophobicContact CB-CB 4.42Å; K879-P914 WeakPolarHBondContact CD-O 3.47Å; K879-P914 PolarHBondContact NZ-O 2.94Å; K879-Y915 HydrophobicContact CB-CD2 4.4Å; K879-Y915 PolarHBondContact NZ-O 3.25Å; K879-I918 VanDerWaalsContact CE-O 3.26Å; K879-I918 WeakPolarHBondContact CE-O 3.39Å; K879-I918 PolarHBondContact NZ-O 3.1Å; K879-I923 HydrophobicContact CD-CD1 4.34Å; K879-I923 HydrophobicContact CG-CD1 4.14Å; K879-I923 HydrophobicContact CG-CG1 4.17Å
880	W	93.6	Very high	78.9	Confident	35 Å²	35	53.4 Å²	53.4	13%	0.133	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-103.8	-15.4	174.5	-69.8	-102.2	0	0	0	112.5	A839 R841 P877 I878 S899 V902 E906 P914	A839-W880 HydrophobicContact CB-CD2 4.31Å; A839-W880 HydrophobicContact CB-CG 4.13Å; R841-W880 VanDerWaalsContact NH1-CE2 3.35Å; P877-W880 HydrophobicContact CB-CE3 4.25Å; P877-W880 PolarHBondContact O-N 3.12Å; I878-W880 PolarHBondContact O-N 2.84Å; W880-S899 WeakPolarHBondContact O-CA 3.5Å; W880-S899 PolarHBondContact O-OG 3.07Å; W880-V902 VanDerWaalsContact CD1-CG1 3.47Å; W880-V902 HydrophobicContact CG-CG1 3.99Å; W880-E906 WeakPolarHBondContact CZ2-OE1 3.02Å; W880-E906 VanDerWaalsContact NE1-CD 3.27Å; W880-E906 PolarHBondContact NE1-OE2 3.47Å; W880-P914 HydrophobicContact CZ2-CG 3.84Å
881	M	90.9	Very high	80	Confident	4 Å²	4	48 Å²	48	2%	0.02	26%	0.256	C	S	.	.	S	Bend	trans	-78.6	150.7	-171.6	-67.5	169.7	63.2	0	0	112.6	V876 P877 I878 S885 I886 Y891 W898	V876-M881 HydrophobicContact CB-CE 4.23Å; V876-M881 HydrophobicContact CB-SD 3.65Å; V876-M881 HydrophobicContact CG2-CE 4.14Å; V876-M881 HydrophobicContact CG2-SD 3.7Å; P877-M881 HydrophobicContact CG-CG 4Å; P877-M881 HydrophobicContact CG-SD 4.21Å; I878-M881 HydrophobicContact CG1-SD 4.48Å; I878-M881 PolarHBondContact O-N 2.91Å; M881-S885 VanDerWaalsContact CE-C 3.47Å; M881-S885 WeakPolarHBondContact CE-O 3.45Å; M881-I886 HydrophobicContact CB-CD1 4.19Å; M881-I886 HydrophobicContact CB-CG1 3.73Å; M881-I886 HydrophobicContact CE-CG1 4.3Å; M881-Y891 HydrophobicContact CE-CE1 4Å; M881-W898 PolarHBondContact O-NE1 3.09Å
882	A	93.5	Very high	81.4	Confident	0 Å²	0	48 Å²	48	0%	0	26%	0.255	C	S	.	.			trans	-72	157.4	168.7	0	0	0	0	0	111.9	E884 S885 I886 W898	A882-E884 VanDerWaalsContact C-N 3.34Å; A882-E884 VanDerWaalsContact CB-CD 3.43Å; A882-E884 WeakPolarHBondContact CB-OE1 3.46Å; A882-E884 VanDerWaalsContact CB-OE2 3.29Å; A882-E884 WeakPolarHBondContact CB-OE2 3.48Å; A882-E884 PolarHBondContact O-N 3.35Å; A882-S885 WeakPolarHBondContact O-CB 3.43Å; A882-S885 PolarHBondContact O-N 2.97Å; A882-I886 WeakPolarHBondContact O-CG1 3.5Å; A882-I886 PolarHBondContact O-N 2.92Å; A882-I886 VanDerWaalsContact O-N 3.07Å; A882-W898 HydrophobicContact CB-CB 3.75Å; A882-W898 HydrophobicContact CB-CD2 3.83Å; A882-W898 HydrophobicContact CB-CE3 4.07Å; A882-W898 HydrophobicContact CB-CG 3.69Å
883	L	91.5	Very high	83.4	Confident	16 Å²	16	40.8 Å²	40.8	8%	0.084	22%	0.221	C	C	.	.	H	α-helix	trans	-62.4	-40	-172.9	-175.3	60.1	0	0	0	112.3	S885 I886 L887 L927 E928 I953	L883-S885 VanDerWaalsContact C-N 3.27Å; L883-S885 PolarHBondContact O-N 2.83Å; L883-I886 PolarHBondContact O-N 3.11Å; L883-I886 VanDerWaalsContact O-N 3.16Å; L883-L887 HydrophobicContact CD1-CD1 3.82Å; L883-L887 HydrophobicContact CD1-CG 3.88Å; L883-L887 HydrophobicContact CD2-CD1 4.39Å; L883-L887 HydrophobicContact CG-CD1 3.82Å; L883-L887 HydrophobicContact CG-CG 4.24Å; L883-L887 WeakPolarHBondContact O-CG 3.46Å; L883-L887 PolarHBondContact O-N 2.79Å; L883-L927 HydrophobicContact CD1-CB 4.08Å; L883-E928 HydrophobicContact CD1-CG 4.18Å; L883-E928 HydrophobicContact CD2-CG 4.03Å; L883-I953 HydrophobicContact CD2-CD1 3.74Å
884	E	90.7	Very high	85.4	Confident	29 Å²	29	39.8 Å²	39.8	14%	0.136	21%	0.205	C	C	.	.	H	α-helix	trans	-62.2	-33.4	175.1	70.1	-77.4	-175.6	0	0	112.8	A882 H888 R889 I890 R958	A882-E884 VanDerWaalsContact C-N 3.34Å; A882-E884 VanDerWaalsContact CB-CD 3.43Å; A882-E884 WeakPolarHBondContact CB-OE1 3.46Å; A882-E884 VanDerWaalsContact CB-OE2 3.29Å; A882-E884 WeakPolarHBondContact CB-OE2 3.48Å; A882-E884 PolarHBondContact O-N 3.35Å; E884-H888 CarbonylContact O-C 3.59Å; E884-H888 WeakPolarHBondContact O-CA 3.19Å; E884-H888 WeakPolarHBondContact O-CB 3.2Å; E884-H888 PolarHBondContact O-N 2.81Å; E884-R889 PolarHBondContact O-N 3.09Å; E884-I890 HydrophobicContact CB-CB 4.45Å; E884-I890 HydrophobicContact CG-CB 4.34Å; E884-I890 HydrophobicContact CG-CG2 4.16Å; E884-I890 PolarHBondContact O-N 2.92Å; E884-R958 IonicContact OE1-CZ 3.79Å; E884-R958 IonicContact OE1-NH1 3.5Å; E884-R958 PolarHBondContact OE1-NH1 3.03Å; E884-R958 IonicContact OE1-NH2 3.53Å; E884-R958 PolarHBondContact OE1-NH2 2.87Å; E884-R958 IonicContact OE2-CZ 2.96Å; E884-R958 IonicContact OE2-NH1 3.06Å; E884-R958 IonicContact OE2-NH2 3.39Å; E884-R958 PolarHBondContact OE2-NH2 2.85Å
885	S	90.3	Very high	87	Confident	2 Å²	2	36.9 Å²	36.9	1%	0.014	18%	0.175	C	C	.	.	H	α-helix	trans	-74.5	-29.7	175.9	-48.2	0	0	0	0	112.7	M881 A882 L883 R889 I890 S895	M881-S885 VanDerWaalsContact CE-C 3.47Å; M881-S885 WeakPolarHBondContact CE-O 3.45Å; A882-S885 WeakPolarHBondContact O-CB 3.43Å; A882-S885 PolarHBondContact O-N 2.97Å; L883-S885 VanDerWaalsContact C-N 3.27Å; L883-S885 PolarHBondContact O-N 2.83Å; S885-R889 WeakPolarHBondContact O-CA 3.33Å; S885-R889 WeakPolarHBondContact O-CD 3.22Å; S885-I890 WeakPolarHBondContact CA-O 3.38Å; S885-I890 WeakPolarHBondContact CB-O 3.22Å; S885-I890 PolarHBondContact OG-O 3.01Å; S885-S895 WeakPolarHBondContact OG-CB 3.17Å
886	I	87.8	Confident	88.7	Confident	27 Å²	27	29.5 Å²	29.5	14%	0.138	14%	0.143	C	C	.	.	H	α-helix	trans	-75.4	-51.5	176	-62.9	168.6	0	0	0	110.1	I878 M881 A882 L883 I923 L927	I878-I886 HydrophobicContact CG2-CD1 3.94Å; I878-I886 HydrophobicContact CG2-CG1 4.12Å; I878-I886 HydrophobicContact CG2-CG2 4.36Å; M881-I886 HydrophobicContact CB-CD1 4.19Å; M881-I886 HydrophobicContact CB-CG1 3.73Å; M881-I886 HydrophobicContact CE-CG1 4.3Å; A882-I886 WeakPolarHBondContact O-CG1 3.5Å; A882-I886 PolarHBondContact O-N 2.92Å; A882-I886 VanDerWaalsContact O-N 3.07Å; L883-I886 PolarHBondContact O-N 3.11Å; L883-I886 VanDerWaalsContact O-N 3.16Å; I886-I923 HydrophobicContact CD1-CG2 4.11Å; I886-L927 HydrophobicContact CD1-CD1 3.94Å
887	L	85.8	Confident	89.8	Confident	74 Å²	74	27.7 Å²	27.7	39%	0.387	13%	0.132	S	C	.	.	H	α-helix	trans	-77.8	-46.7	-173.8	-64	-179.9	0	0	0	113.4	L883	L883-L887 HydrophobicContact CD1-CD1 3.82Å; L883-L887 HydrophobicContact CD1-CG 3.88Å; L883-L887 HydrophobicContact CD2-CD1 4.39Å; L883-L887 HydrophobicContact CG-CD1 3.82Å; L883-L887 HydrophobicContact CG-CG 4.24Å; L883-L887 WeakPolarHBondContact O-CG 3.46Å; L883-L887 PolarHBondContact O-N 2.79Å
888	H	84.2	Confident	90.5	Very high	119 Å²	119	26.6 Å²	26.6	55%	0.551	13%	0.125	S	C	*	.	S	Bend	trans	-113.8	0.5	-168	-52.2	-49.5	0	0	0	113.4	E884 I890	E884-H888 CarbonylContact O-C 3.59Å; E884-H888 WeakPolarHBondContact O-CA 3.19Å; E884-H888 WeakPolarHBondContact O-CB 3.2Å; E884-H888 PolarHBondContact O-N 2.81Å; H888-I890 HydrophobicContact CB-CD1 3.72Å; H888-I890 HydrophobicContact CB-CG1 3.95Å; H888-I890 PolarHBondContact O-N 3.24Å
889	R	82	Confident	91	Very high	79 Å²	79	24.5 Å²	24.5	30%	0.298	12%	0.115	S	C	.	.			trans	55	28.3	-176.1	-53.3	-50.8	-164.6	118.9	5.4	113.6	H870 A871 E884 S885 Y891	H870-R889 WeakPolarHBondContact CA-O 3.4Å; A871-R889 PolarHBondContact N-O 3.21Å; E884-R889 PolarHBondContact O-N 3.09Å; S885-R889 WeakPolarHBondContact O-CA 3.33Å; S885-R889 WeakPolarHBondContact O-CD 3.22Å; R889-Y891 HydrophobicContact CB-CE2 4.39Å; R889-Y891 WeakPolarHBondContact O-CD2 3.38Å; R889-Y891 WeakPolarHBondContact O-CE2 3.27Å
890	I	84.5	Confident	91.3	Very high	27 Å²	27	23.4 Å²	23.4	14%	0.138	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	128.8	174.2	-70.6	168.7	0	0	0	109.2	E868 Y869 H870 E884 S885 H888 T892	E868-I890 HydrophobicContact CB-CG2 4.29Å; E868-I890 HydrophobicContact CG-CG2 4.47Å; E868-I890 WeakPolarHBondContact OE2-CG2 2.99Å; Y869-I890 CarbonylContact O-C 3.59Å; H870-I890 VanDerWaalsContact CE1-CG1 3.48Å; H870-I890 WeakPolarHBondContact CE1-CG1 3.01Å; E884-I890 HydrophobicContact CB-CB 4.45Å; E884-I890 HydrophobicContact CG-CB 4.34Å; E884-I890 HydrophobicContact CG-CG2 4.16Å; E884-I890 PolarHBondContact O-N 2.92Å; S885-I890 WeakPolarHBondContact CA-O 3.38Å; S885-I890 WeakPolarHBondContact CB-O 3.22Å; S885-I890 PolarHBondContact OG-O 3.01Å; H888-I890 HydrophobicContact CB-CD1 3.72Å; H888-I890 HydrophobicContact CB-CG1 3.95Å; H888-I890 PolarHBondContact O-N 3.24Å; I890-T892 HydrophobicContact CG2-CG2 3.95Å
891	Y	86.3	Confident	91.5	Very high	4 Å²	4	21.8 Å²	21.8	2%	0.016	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	129	174.2	-58.3	-92.4	0	0	0	110.3	R836 Y869 A871 M881 R889	R836-Y891 HydrophobicContact CB-CD1 3.84Å; R836-Y891 HydrophobicContact CB-CE1 4.15Å; R836-Y891 HydrophobicContact CG-CD1 3.61Å; R836-Y891 HydrophobicContact CG-CE1 4.34Å; R836-Y891 HydrophobicContact CG-CG 3.92Å; Y869-Y891 HydrophobicContact CD1-CD2 4.14Å; Y869-Y891 PolarHBondContact N-O 3.09Å; Y869-Y891 PolarHBondContact O-N 2.86Å; A871-Y891 HydrophobicContact CB-CD2 4.27Å; A871-Y891 HydrophobicContact CB-CE2 3.62Å; M881-Y891 HydrophobicContact CE-CE1 4Å; R889-Y891 HydrophobicContact CB-CE2 4.39Å; R889-Y891 WeakPolarHBondContact O-CD2 3.38Å; R889-Y891 WeakPolarHBondContact O-CE2 3.27Å
892	T	90.2	Very high	91.8	Very high	15 Å²	15	21.6 Å²	21.6	9%	0.092	10%	0.103	C	C	.	.			trans	-143.1	166.9	-178.1	66.7	0	0	0	0	110.3	V834 E868 I890 Q894 S895 D896	V834-T892 WeakPolarHBondContact CG1-O 3.49Å; E868-T892 HydrophobicContact CB-CG2 4.06Å; E868-T892 HydrophobicContact CG-CG2 3.73Å; I890-T892 HydrophobicContact CG2-CG2 3.95Å; T892-Q894 PolarHBondContact O-N 2.87Å; T892-Q894 PolarHBondContact OG1-N 2.91Å; T892-S895 PolarHBondContact N-OG 3.02Å; T892-S895 WeakPolarHBondContact O-CA 3.43Å; T892-S895 WeakPolarHBondContact O-CB 3.46Å; T892-S895 PolarHBondContact O-N 3.18Å; T892-S895 PolarHBondContact O-OG 3.35Å; T892-S895 PolarHBondContact OG1-N 3.04Å; T892-S895 VanDerWaalsContact OG1-N 3.11Å; T892-D896 PolarHBondContact O-N 2.97Å; T892-D896 VanDerWaalsContact O-N 3.17Å
893	H	92.3	Very high	92	Very high	31 Å²	31	21.6 Å²	21.6	14%	0.144	10%	0.103	C	C	.	.	H	α-helix	trans	-57.4	-30.9	170.4	-56.2	-57.2	0	0	0	112.4	E829 L833 S895 D896 V897	E829-H893 HydrophobicContact CG-CB 4.17Å; L833-H893 PolarHBondContact O-CE1 2.88Å; L833-H893 VanDerWaalsContact O-CE1 3.24Å; L833-H893 PolarHBondContact O-ND1 2.85Å; H893-S895 VanDerWaalsContact C-N 3.33Å; H893-S895 PolarHBondContact O-N 3.25Å; H893-D896 WeakPolarHBondContact O-CB 3.36Å; H893-D896 PolarHBondContact O-N 3.22Å; H893-V897 WeakPolarHBondContact O-CG2 3.45Å; H893-V897 PolarHBondContact O-N 3.01Å
894	Q	95.2	Very high	92.3	Very high	20 Å²	20	20.9 Å²	20.9	9%	0.093	10%	0.099	C	C	.	.	H	α-helix	trans	-72.2	-24.2	175.4	-56.3	-61.5	89.5	0	0	112.9	T892 W898 A955 R958	T892-Q894 PolarHBondContact O-N 2.87Å; T892-Q894 PolarHBondContact OG1-N 2.91Å; Q894-W898 PolarHBondContact O-N 3.44Å; Q894-A955 HydrophobicContact CB-CB 3.96Å; Q894-A955 WeakPolarHBondContact CG-O 3.44Å; Q894-A955 PolarHBondContact NE2-O 2.85Å; Q894-R958 PolarHBondContact NE2-O 3.23Å; Q894-R958 WeakPolarHBondContact O-CD 3.4Å; Q894-R958 PolarHBondContact O-NH1 3.18Å
895	S	93.8	Very high	92.7	Very high	2 Å²	2	20.4 Å²	20.4	1%	0.014	10%	0.096	C	C	.	.	H	α-helix	trans	-75.6	-30	169	75.3	0	0	0	0	112.5	S885 T892 H893 S899	S885-S895 WeakPolarHBondContact OG-CB 3.17Å; T892-S895 PolarHBondContact N-OG 3.02Å; T892-S895 WeakPolarHBondContact O-CA 3.43Å; T892-S895 WeakPolarHBondContact O-CB 3.46Å; T892-S895 PolarHBondContact O-N 3.18Å; T892-S895 PolarHBondContact O-OG 3.35Å; T892-S895 PolarHBondContact OG1-N 3.04Å; T892-S895 VanDerWaalsContact OG1-N 3.11Å; H893-S895 VanDerWaalsContact C-N 3.33Å; H893-S895 PolarHBondContact O-N 3.25Å; S895-S899 PolarHBondContact O-N 2.82Å; S895-S899 PolarHBondContact O-OG 2.65Å
896	D	95.1	Very high	93	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-70.2	-34.6	168.8	-77.4	-26.2	0	0	0	111.6	M825 V834 H835 R836 T892 H893 W898 S899 Y900 F961	M825-D896 HydrophobicContact CE-CB 3.67Å; V834-D896 WeakPolarHBondContact CA-OD2 3.46Å; V834-D896 WeakPolarHBondContact CG1-OD2 3.41Å; H835-D896 PolarHBondContact N-OD1 3.22Å; H835-D896 PolarHBondContact N-OD2 2.79Å; R836-D896 PolarHBondContact N-OD1 3.24Å; T892-D896 PolarHBondContact O-N 2.97Å; T892-D896 VanDerWaalsContact O-N 3.17Å; H893-D896 WeakPolarHBondContact O-CB 3.36Å; H893-D896 PolarHBondContact O-N 3.22Å; D896-W898 VanDerWaalsContact C-N 3.33Å; D896-W898 PolarHBondContact O-N 3.31Å; D896-S899 CarbonylContact O-C 3.44Å; D896-S899 WeakPolarHBondContact O-CB 3.46Å; D896-S899 PolarHBondContact O-N 2.81Å; D896-Y900 WeakPolarHBondContact O-CB 3.49Å; D896-Y900 PolarHBondContact O-N 2.9Å; D896-F961 HydrophobicContact CB-CE2 4.09Å; D896-F961 HydrophobicContact CB-CZ 4.06Å
897	V	97.9	Very high	93.4	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-60.1	-41.8	173.1	167	0	0	0	0	111.5	H893 Y900 G901 C950 R958 P959 F961 L964	H893-V897 WeakPolarHBondContact O-CG2 3.45Å; H893-V897 PolarHBondContact O-N 3.01Å; V897-Y900 WeakPolarHBondContact O-CB 3.32Å; V897-Y900 PolarHBondContact O-N 3.01Å; V897-G901 PolarHBondContact O-N 2.93Å; V897-C950 HydrophobicContact CG1-CB 4.03Å; V897-C950 WeakPolarHBondContact O-CB 3.06Å; V897-R958 HydrophobicContact CG1-CB 3.97Å; V897-P959 WeakPolarHBondContact CG1-O 3.35Å; V897-P959 WeakPolarHBondContact CG2-O 3.16Å; V897-F961 HydrophobicContact CB-CZ 4.38Å; V897-F961 HydrophobicContact CG2-CD2 4.01Å; V897-F961 HydrophobicContact CG2-CE1 4.2Å; V897-F961 HydrophobicContact CG2-CE2 3.6Å; V897-F961 HydrophobicContact CG2-CG 4.47Å; V897-F961 HydrophobicContact CG2-CZ 3.71Å; V897-L964 HydrophobicContact CG1-CD1 4.25Å
898	W	97.6	Very high	93.9	Very high	1 Å²	1	15.7 Å²	15.7	0%	0.004	7%	0.072	C	C	.	.	H	α-helix	trans	-60.6	-46.1	172.5	-179	-67.2	0	0	0	111.6	M881 A882 Q894 D896 Y900 G901 V902 L927 C950 W951 M952	M881-W898 PolarHBondContact O-NE1 3.09Å; A882-W898 HydrophobicContact CB-CB 3.75Å; A882-W898 HydrophobicContact CB-CD2 3.83Å; A882-W898 HydrophobicContact CB-CE3 4.07Å; A882-W898 HydrophobicContact CB-CG 3.69Å; Q894-W898 PolarHBondContact O-N 3.44Å; D896-W898 VanDerWaalsContact C-N 3.33Å; D896-W898 PolarHBondContact O-N 3.31Å; W898-Y900 VanDerWaalsContact C-N 3.28Å; W898-Y900 PolarHBondContact O-N 3.39Å; W898-G901 WeakPolarHBondContact O-CA 3.28Å; W898-G901 PolarHBondContact O-N 2.86Å; W898-V902 PolarHBondContact O-N 2.94Å; W898-L927 HydrophobicContact CH2-CD1 4.38Å; W898-L927 HydrophobicContact CH2-CD2 4.04Å; W898-L927 HydrophobicContact CZ2-CD1 3.78Å; W898-L927 HydrophobicContact CZ2-CD2 3.64Å; W898-L927 HydrophobicContact CZ2-CG 4.3Å; W898-C950 VanDerWaalsContact CA-O 3.3Å; W898-C950 WeakPolarHBondContact CA-O 3.42Å; W898-W951 AromaticContact CD1-CD1 3.99Å; W898-W951 HydrophobicContact CD2-CB 4.36Å; W898-W951 AromaticContact CD2-CD1 3.78Å; W898-W951 HydrophobicContact CD2-CG 4.45Å; W898-W951 AromaticContact CE2-CD1 3.87Å; W898-W951 HydrophobicContact CE3-CB 4.18Å; W898-W951 AromaticContact CG-CD1 3.85Å; W898-W951 HydrophobicContact CH2-CB 4.25Å; W898-W951 HydrophobicContact CZ2-CB 4.43Å; W898-W951 HydrophobicContact CZ3-CB 4.13Å; W898-W951 VanDerWaalsContact CZ3-O 3.29Å; W898-W951 WeakPolarHBondContact CZ3-O 3.38Å; W898-W951 AromaticContact NE1-CD1 3.99Å; W898-W951 PolarHBondContact O-NE1 3.09Å; W898-M952 WeakPolarHBondContact CZ3-O 3.34Å
899	S	96.5	Very high	94.4	Very high	5 Å²	5	11 Å²	11	4%	0.035	5%	0.051	C	C	.	.	H	α-helix	trans	-61.9	-35.8	177.5	-52.5	0	0	0	0	111.9	W880 S895 D896 V902 T903	W880-S899 WeakPolarHBondContact O-CA 3.5Å; W880-S899 PolarHBondContact O-OG 3.07Å; S895-S899 PolarHBondContact O-N 2.82Å; S895-S899 PolarHBondContact O-OG 2.65Å; D896-S899 CarbonylContact O-C 3.44Å; D896-S899 WeakPolarHBondContact O-CB 3.46Å; D896-S899 PolarHBondContact O-N 2.81Å; S899-V902 PolarHBondContact O-N 3.14Å; S899-T903 WeakPolarHBondContact O-CB 3.24Å; S899-T903 PolarHBondContact O-N 3.38Å; S899-T903 PolarHBondContact O-OG1 3.21Å
900	Y	98.2	Very high	94.9	Very high	1 Å²	1	8.4 Å²	8.4	0%	0.004	4%	0.042	C	C	.	.	H	α-helix	trans	-64.5	-44	170.7	172.4	-92	0	0	0	111.5	C818 I821 A822 L838 D896 V897 W898 V902 T903 V904 F961 L964 F968	C818-Y900 PolarHBondContact O-OH 3.48Å; I821-Y900 HydrophobicContact CB-CE2 4.17Å; I821-Y900 HydrophobicContact CG2-CD2 3.8Å; I821-Y900 HydrophobicContact CG2-CE2 3.95Å; A822-Y900 HydrophobicContact CB-CE2 3.95Å; L838-Y900 HydrophobicContact CD2-CD2 4.35Å; D896-Y900 WeakPolarHBondContact O-CB 3.49Å; D896-Y900 PolarHBondContact O-N 2.9Å; V897-Y900 WeakPolarHBondContact O-CB 3.32Å; V897-Y900 PolarHBondContact O-N 3.01Å; W898-Y900 VanDerWaalsContact C-N 3.28Å; W898-Y900 PolarHBondContact O-N 3.39Å; Y900-V902 VanDerWaalsContact C-N 3.31Å; Y900-V902 PolarHBondContact O-N 2.89Å; Y900-T903 CarbonylContact O-C 3.5Å; Y900-T903 WeakPolarHBondContact O-CA 3.11Å; Y900-T903 WeakPolarHBondContact O-CB 3.41Å; Y900-T903 PolarHBondContact O-N 3.04Å; Y900-V904 HydrophobicContact CD1-CG2 4.05Å; Y900-V904 HydrophobicContact CD2-CG2 4.42Å; Y900-V904 HydrophobicContact CE1-CG2 3.53Å; Y900-V904 HydrophobicContact CE2-CG2 3.96Å; Y900-V904 HydrophobicContact CG-CG2 4.46Å; Y900-V904 VanDerWaalsContact CZ-CG2 3.47Å; Y900-V904 WeakPolarHBondContact O-CG2 3.2Å; Y900-V904 PolarHBondContact O-N 3.2Å; Y900-F961 HydrophobicContact CD1-CE1 4.46Å; Y900-F961 HydrophobicContact CD2-CE1 4.08Å; Y900-F961 AromaticContact CG-CE1 3.83Å; Y900-F961 HydrophobicContact CG-CE1 3.83Å; Y900-L964 HydrophobicContact CD1-CD1 3.79Å; Y900-L964 HydrophobicContact CE1-CB 4.43Å; Y900-L964 HydrophobicContact CE1-CD1 3.88Å; Y900-L964 HydrophobicContact CE1-CD2 4.21Å; Y900-L964 HydrophobicContact CE1-CG 4.41Å; Y900-F968 HydrophobicContact CE1-CD2 4.43Å; Y900-F968 AromaticContact CE1-CE2 3.83Å; Y900-F968 HydrophobicContact CE1-CE2 3.83Å; Y900-F968 WeakPolarHBondContact OH-CD2 3.37Å; Y900-F968 VanDerWaalsContact OH-CE2 3.25Å; Y900-F968 WeakPolarHBondContact OH-CE2 3.28Å
901	G	97.7	Very high	95.3	Very high	1 Å²	1	7.3 Å²	7.3	1%	0.01	4%	0.037	C	C	.	.	H	α-helix	trans	-55.2	-45.2	173.6	0	0	0	0	0	112.4	V897 W898 V904 W905 W951	V897-G901 PolarHBondContact O-N 2.93Å; W898-G901 WeakPolarHBondContact O-CA 3.28Å; W898-G901 PolarHBondContact O-N 2.86Å; G901-V904 PolarHBondContact O-N 2.96Å; G901-W905 PolarHBondContact O-N 2.85Å; G901-W951 WeakPolarHBondContact O-CZ2 3.2Å
902	V	97.6	Very high	95.6	Very high	0 Å²	0	10 Å²	10	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-65.4	-39.6	174.4	-178	0	0	0	0	111.5	W880 W898 S899 Y900 W905 E906 P914 L933 W951	W880-V902 VanDerWaalsContact CD1-CG1 3.47Å; W880-V902 HydrophobicContact CG-CG1 3.99Å; W898-V902 PolarHBondContact O-N 2.94Å; S899-V902 PolarHBondContact O-N 3.14Å; Y900-V902 VanDerWaalsContact C-N 3.31Å; Y900-V902 PolarHBondContact O-N 2.89Å; V902-W905 WeakPolarHBondContact O-CB 3.29Å; V902-W905 PolarHBondContact O-N 2.03Å; V902-E906 PolarHBondContact O-N 2.86Å; V902-P914 HydrophobicContact CG1-CB 3.92Å; V902-P914 HydrophobicContact CG1-CG 3.58Å; V902-L933 HydrophobicContact CB-CD1 4.48Å; V902-L933 HydrophobicContact CG1-CD1 4.03Å; V902-L933 HydrophobicContact CG2-CD1 4.18Å; V902-W951 HydrophobicContact CG2-CZ2 4.4Å
903	T	97.3	Very high	95.6	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-63.3	-41.5	176.6	-58.2	0	0	0	0	112.1	I821 L838 A839 A840 S899 Y900 W905 E906 L907	I821-T903 HydrophobicContact CD1-CG2 4.26Å; L838-T903 PolarHBondContact O-OG1 2.9Å; A839-T903 WeakPolarHBondContact CA-OG1 3.32Å; A840-T903 HydrophobicContact CB-CG2 4.47Å; S899-T903 WeakPolarHBondContact O-CB 3.24Å; S899-T903 PolarHBondContact O-N 3.38Å; S899-T903 PolarHBondContact O-OG1 3.21Å; Y900-T903 CarbonylContact O-C 3.5Å; Y900-T903 WeakPolarHBondContact O-CA 3.11Å; Y900-T903 WeakPolarHBondContact O-CB 3.41Å; Y900-T903 PolarHBondContact O-N 3.04Å; T903-W905 VanDerWaalsContact C-N 3.32Å; T903-W905 PolarHBondContact O-N 2.66Å; T903-E906 WeakPolarHBondContact O-CB 3.46Å; T903-E906 PolarHBondContact O-N 2.59Å; T903-L907 WeakPolarHBondContact O-CG 3.37Å; T903-L907 PolarHBondContact O-N 3.09Å; T903-L907 VanDerWaalsContact O-N 3.1Å
904	V	97.9	Very high	95.6	Very high	2 Å²	2	12.9 Å²	12.9	1%	0.012	7%	0.067	C	C	.	.	H	α-helix	trans	-63.7	-40.1	173.6	176.1	0	0	0	0	110.5	Y900 G901 E906 L907 M908 M947 F968	Y900-V904 HydrophobicContact CD1-CG2 4.05Å; Y900-V904 HydrophobicContact CD2-CG2 4.42Å; Y900-V904 HydrophobicContact CE1-CG2 3.53Å; Y900-V904 HydrophobicContact CE2-CG2 3.96Å; Y900-V904 HydrophobicContact CG-CG2 4.46Å; Y900-V904 VanDerWaalsContact CZ-CG2 3.47Å; Y900-V904 WeakPolarHBondContact O-CG2 3.2Å; Y900-V904 PolarHBondContact O-N 3.2Å; G901-V904 PolarHBondContact O-N 2.96Å; V904-E906 PolarHBondContact O-N 2.77Å; V904-L907 PolarHBondContact O-N 2.86Å; V904-M908 HydrophobicContact CG1-CE 4.2Å; V904-M908 HydrophobicContact CG1-CG 4.14Å; V904-M908 VanDerWaalsContact O-CG 3.3Å; V904-M908 WeakPolarHBondContact O-CG 3.47Å; V904-M908 PolarHBondContact O-N 3.17Å; V904-M947 HydrophobicContact CG1-CE 3.86Å; V904-M947 HydrophobicContact CG1-CG 4.4Å; V904-M947 HydrophobicContact CG1-SD 4.5Å; V904-F968 HydrophobicContact CG1-CE1 4.31Å; V904-F968 HydrophobicContact CG1-CZ 4.03Å; V904-F968 HydrophobicContact CG2-CZ 4.29Å
905	W	98.1	Very high	95.4	Very high	19 Å²	19	12.8 Å²	12.8	7%	0.072	7%	0.066	C	C	.	.	H	α-helix	trans	-61.8	-40.6	173.9	-174.1	94.6	0	0	0	112.5	G901 V902 T903 L907 M908 T909 P914 L933 P934 P936 M947 W951	G901-W905 PolarHBondContact O-N 2.85Å; V902-W905 WeakPolarHBondContact O-CB 3.29Å; V902-W905 PolarHBondContact O-N 2.03Å; T903-W905 VanDerWaalsContact C-N 3.32Å; T903-W905 PolarHBondContact O-N 2.66Å; W905-L907 VanDerWaalsContact C-N 3.34Å; W905-L907 PolarHBondContact O-N 3.08Å; W905-M908 PolarHBondContact O-N 3.34Å; W905-T909 HydrophobicContact CD2-CG2 3.9Å; W905-T909 HydrophobicContact CE3-CG2 4.29Å; W905-T909 HydrophobicContact CG-CG2 4.44Å; W905-T909 HydrophobicContact CH2-CG2 4.17Å; W905-T909 HydrophobicContact CZ2-CG2 3.78Å; W905-T909 HydrophobicContact CZ3-CG2 4.4Å; W905-T909 WeakPolarHBondContact O-CB 3.37Å; W905-T909 WeakPolarHBondContact O-CG2 3.09Å; W905-T909 PolarHBondContact O-N 2.9Å; W905-T909 PolarHBondContact O-OG1 3.27Å; W905-P914 HydrophobicContact CE3-CG 4.26Å; W905-P914 HydrophobicContact CZ3-CB 4.44Å; W905-P914 HydrophobicContact CZ3-CG 4.18Å; W905-L933 HydrophobicContact CB-CD1 4.15Å; W905-L933 HydrophobicContact CD2-CB 4.14Å; W905-L933 HydrophobicContact CD2-CD1 3.78Å; W905-L933 HydrophobicContact CD2-CD2 4.46Å; W905-L933 HydrophobicContact CD2-CG 4.34Å; W905-L933 HydrophobicContact CE3-CD1 4.02Å; W905-L933 HydrophobicContact CG-CB 4.1Å; W905-L933 HydrophobicContact CG-CD1 3.84Å; W905-L933 HydrophobicContact CH2-CD2 4.36Å; W905-L933 HydrophobicContact CZ2-CB 4.44Å; W905-L933 HydrophobicContact CZ2-CD2 4.24Å; W905-P934 PolarHBondContact NE1-O 2.82Å; W905-P936 HydrophobicContact CG-CG 4.39Å; W905-M947 HydrophobicContact CB-SD 4.04Å; W905-W951 HydrophobicContact CB-CH2 4.11Å; W905-W951 HydrophobicContact CB-CZ2 4.08Å; W905-W951 HydrophobicContact CG-CH2 4.28Å
906	E	97.3	Very high	95.2	Very high	2 Å²	2	17.3 Å²	17.3	1%	0.009	9%	0.09	C	C	.	.	H	α-helix	trans	-57.7	-45.2	172.4	-71.3	-175.4	106.7	0	0	111.3	A840 W880 V902 T903 V904 T909 F910 G911 P914	A840-E906 HydrophobicContact CB-CB 3.94Å; A840-E906 WeakPolarHBondContact CB-OE2 3.46Å; A840-E906 PolarHBondContact N-OE2 3.27Å; W880-E906 WeakPolarHBondContact CZ2-OE1 3.02Å; W880-E906 VanDerWaalsContact NE1-CD 3.27Å; W880-E906 PolarHBondContact NE1-OE2 3.47Å; V902-E906 PolarHBondContact O-N 2.86Å; T903-E906 WeakPolarHBondContact O-CB 3.46Å; T903-E906 PolarHBondContact O-N 2.59Å; V904-E906 PolarHBondContact O-N 2.77Å; E906-T909 PolarHBondContact O-N 3.07Å; E906-T909 PolarHBondContact O-OG1 3.49Å; E906-F910 PolarHBondContact O-N 2.89Å; E906-G911 WeakPolarHBondContact O-CA 3.06Å; E906-G911 PolarHBondContact O-N 3.03Å; E906-P914 HydrophobicContact CG-CG 3.87Å
907	L	96.6	Very high	94.6	Very high	1 Å²	1	20.6 Å²	20.6	1%	0.005	13%	0.125	C	C	.	.	H	α-helix	trans	-63.2	-49.4	178	-62.9	179.4	0	0	0	112	L798 V802 L814 W817 I821 T903 V904 W905 T909 F910	L798-L907 HydrophobicContact CD2-CD1 4.35Å; L798-L907 HydrophobicContact CD2-CD2 3.55Å; L798-L907 HydrophobicContact CG-CD2 3.73Å; V802-L907 HydrophobicContact CG2-CD2 4.21Å; L814-L907 HydrophobicContact CD2-CB 4.23Å; W817-L907 HydrophobicContact CB-CD1 4.3Å; I821-L907 HydrophobicContact CD1-CD1 4Å; T903-L907 WeakPolarHBondContact O-CG 3.37Å; T903-L907 PolarHBondContact O-N 3.09Å; T903-L907 VanDerWaalsContact O-N 3.1Å; V904-L907 PolarHBondContact O-N 2.86Å; W905-L907 VanDerWaalsContact C-N 3.34Å; W905-L907 PolarHBondContact O-N 3.08Å; L907-T909 PolarHBondContact O-N 3.32Å; L907-F910 PolarHBondContact O-N 3.26Å
908	M	95.4	Very high	94.1	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.005	14%	0.137	C	C	.	.	H	α-helix	trans	-72.4	-11.5	-176.6	-59.5	-56.7	173.8	0	0	113.8	L814 L815 V904 W905 P936 I938 C939 V943 M947 L979	L814-M908 HydrophobicContact CB-CE 4.11Å; L814-M908 HydrophobicContact CB-SD 4.01Å; L814-M908 HydrophobicContact CD1-SD 4.09Å; L815-M908 HydrophobicContact CD2-CE 3.95Å; V904-M908 HydrophobicContact CG1-CE 4.2Å; V904-M908 HydrophobicContact CG1-CG 4.14Å; V904-M908 VanDerWaalsContact O-CG 3.3Å; V904-M908 WeakPolarHBondContact O-CG 3.47Å; V904-M908 PolarHBondContact O-N 3.17Å; W905-M908 PolarHBondContact O-N 3.34Å; M908-P936 HydrophobicContact CB-CB 3.78Å; M908-P936 HydrophobicContact CB-CG 3.8Å; M908-I938 HydrophobicContact CB-CD1 4.4Å; M908-I938 HydrophobicContact CB-CG1 4.48Å; M908-I938 WeakPolarHBondContact O-CD1 3.49Å; M908-I938 WeakPolarHBondContact O-CG1 3.48Å; M908-I938 HydrophobicContact SD-CD1 4.21Å; M908-C939 VanDerWaalsContact CB-SG 3.59Å; M908-C939 VanDerWaalsContact CG-SG 3.59Å; M908-V943 HydrophobicContact CE-CG1 4.47Å; M908-M947 HydrophobicContact CB-CE 4.18Å; M908-M947 HydrophobicContact CG-CE 3.82Å; M908-L979 HydrophobicContact CE-CD1 3.99Å; M908-L979 HydrophobicContact CE-CD2 4.16Å; M908-L979 HydrophobicContact SD-CD1 3.69Å; M908-L979 HydrophobicContact SD-CD2 3.55Å; M908-L979 VanDerWaalsContact SD-CD2 3.55Å; M908-L979 HydrophobicContact SD-CG 4.3Å
909	T	94.9	Very high	93.4	Very high	19 Å²	19	25.8 Å²	25.8	12%	0.117	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.7	15.9	171.4	59.2	0	0	0	0	112.9	W905 E906 L907 G911 S912 P936	W905-T909 HydrophobicContact CD2-CG2 3.9Å; W905-T909 HydrophobicContact CE3-CG2 4.29Å; W905-T909 HydrophobicContact CG-CG2 4.44Å; W905-T909 HydrophobicContact CH2-CG2 4.17Å; W905-T909 HydrophobicContact CZ2-CG2 3.78Å; W905-T909 HydrophobicContact CZ3-CG2 4.4Å; W905-T909 WeakPolarHBondContact O-CB 3.37Å; W905-T909 WeakPolarHBondContact O-CG2 3.09Å; W905-T909 PolarHBondContact O-N 2.9Å; W905-T909 PolarHBondContact O-OG1 3.27Å; E906-T909 PolarHBondContact O-N 3.07Å; E906-T909 PolarHBondContact O-OG1 3.49Å; L907-T909 PolarHBondContact O-N 3.32Å; T909-G911 VanDerWaalsContact C-N 3.33Å; T909-G911 PolarHBondContact O-N 3.03Å; T909-S912 PolarHBondContact O-N 3.28Å; T909-S912 PolarHBondContact O-OG 2.91Å; T909-S912 WeakPolarHBondContact OG1-CB 3.3Å; T909-P936 HydrophobicContact CG2-CB 3.79Å; T909-P936 HydrophobicContact CG2-CG 3.94Å
910	F	93.3	Very high	92.7	Very high	26 Å²	26	27.9 Å²	27.9	11%	0.114	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.2	46.1	-178.6	-61.4	-87.6	0	0	0	114.2	V802 K806 I809 L814 E906 L907 I938 I981	V802-F910 HydrophobicContact CG1-CB 4.13Å; V802-F910 HydrophobicContact CG1-CD1 3.91Å; V802-F910 HydrophobicContact CG1-CG 4.43Å; K806-F910 HydrophobicContact CB-CB 4.38Å; K806-F910 HydrophobicContact CB-CD1 4.17Å; K806-F910 HydrophobicContact CB-CG 4.45Å; K806-F910 HydrophobicContact CD-CB 3.91Å; K806-F910 HydrophobicContact CD-CG 4.15Å; K806-F910 HydrophobicContact CG-CB 3.88Å; K806-F910 HydrophobicContact CG-CD1 3.74Å; K806-F910 HydrophobicContact CG-CD2 4.28Å; K806-F910 HydrophobicContact CG-CE1 4.31Å; K806-F910 HydrophobicContact CG-CG 3.72Å; I809-F910 HydrophobicContact CB-CE1 4.11Å; I809-F910 HydrophobicContact CG2-CE1 4.16Å; L814-F910 HydrophobicContact CD1-CE1 4.26Å; L814-F910 HydrophobicContact CD1-CZ 4.12Å; E906-F910 PolarHBondContact O-N 2.89Å; L907-F910 PolarHBondContact O-N 3.26Å; F910-I938 HydrophobicContact CE2-CD1 3.9Å; F910-I938 HydrophobicContact CE2-CG2 4.21Å; F910-I938 HydrophobicContact CZ-CD1 4.18Å; F910-I981 HydrophobicContact CZ-CD1 4.38Å
911	G	91.6	Very high	92	Very high	4 Å²	4	32.3 Å²	32.3	4%	0.041	20%	0.204	C	C	.	.	S	Bend	trans	78.1	25.8	178.9	0	0	0	0	0	114.5	L799 R803 E906 T909	L799-G911 VanDerWaalsContact CD1-CA 3.49Å; R803-G911 VanDerWaalsContact CZ-O 3.32Å; R803-G911 PolarHBondContact NE-O 2.9Å; R803-G911 PolarHBondContact NH2-O 2.95Å; E906-G911 WeakPolarHBondContact O-CA 3.06Å; E906-G911 PolarHBondContact O-N 3.03Å; T909-G911 VanDerWaalsContact C-N 3.33Å; T909-G911 PolarHBondContact O-N 3.03Å
912	S	92.9	Very high	91.6	Very high	59 Å²	59	37 Å²	37	41%	0.413	23%	0.226	S	C	.	.	P	Polyproline II helix	trans	-64.9	151.7	169.2	-59.9	0	0	0	0	110.7	T909	T909-S912 PolarHBondContact O-N 3.28Å; T909-S912 PolarHBondContact O-OG 2.91Å; T909-S912 WeakPolarHBondContact OG1-CB 3.3Å
913	K	89.6	Confident	91.2	Very high	106 Å²	106	37 Å²	37	46%	0.461	23%	0.226	S	C	.	.	P	Polyproline II helix	trans	-84.3	124.7	-172.8	179.4	170.4	158.9	-143.6	0	110.4	Y915 D916	K913-Y915 PolarHBondContact O-N 3.42Å; K913-D916 HydrophobicContact CB-CB 4.16Å; K913-D916 WeakPolarHBondContact CD-OD1 3Å; K913-D916 WeakPolarHBondContact CE-OD1 3.12Å; K913-D916 HydrophobicContact CG-CB 4.3Å; K913-D916 IonicContact NZ-OD1 2.76Å; K913-D916 PolarHBondContact NZ-OD1 3.45Å; K913-D916 IonicContact NZ-OD2 3.56Å; K913-D916 PolarHBondContact O-N 2.99Å
914	P	93.1	Very high	90.7	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.006	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	137.4	177.1	-28.5	36.9	0	0	0	112.2	K879 W880 V902 W905 E906 D916 L933	K879-P914 HydrophobicContact CB-CB 4.42Å; K879-P914 WeakPolarHBondContact CD-O 3.47Å; K879-P914 PolarHBondContact NZ-O 2.94Å; W880-P914 HydrophobicContact CZ2-CG 3.84Å; V902-P914 HydrophobicContact CG1-CB 3.92Å; V902-P914 HydrophobicContact CG1-CG 3.58Å; W905-P914 HydrophobicContact CE3-CG 4.26Å; W905-P914 HydrophobicContact CZ3-CB 4.44Å; W905-P914 HydrophobicContact CZ3-CG 4.18Å; E906-P914 HydrophobicContact CG-CG 3.87Å; P914-D916 VanDerWaalsContact C-N 3.27Å; P914-D916 PolarHBondContact O-N 3.48Å; P914-L933 HydrophobicContact CB-CD1 4.27Å; P914-L933 HydrophobicContact CB-CD2 4.2Å
915	Y	91.4	Very high	90.2	Very high	18 Å²	18	40.6 Å²	40.6	7%	0.071	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	45.8	45.4	-179.9	-54.6	-80.5	0	0	0	113.2	K879 K913 I918 I923 I926 L927 L933	K879-Y915 HydrophobicContact CB-CD2 4.4Å; K879-Y915 PolarHBondContact NZ-O 3.25Å; K913-Y915 PolarHBondContact O-N 3.42Å; Y915-I918 WeakPolarHBondContact O-CB 3.44Å; Y915-I918 PolarHBondContact O-N 2.87Å; Y915-I923 HydrophobicContact CD2-CD1 4.21Å; Y915-I923 HydrophobicContact CG-CD1 3.96Å; Y915-I926 HydrophobicContact CD1-CD1 3.62Å; Y915-I926 HydrophobicContact CE1-CD1 3.98Å; Y915-I926 HydrophobicContact CG-CD1 4.34Å; Y915-L927 WeakPolarHBondContact OH-CD2 3.34Å; Y915-L933 HydrophobicContact CD1-CD2 3.78Å; Y915-L933 HydrophobicContact CD2-CD2 3.73Å; Y915-L933 HydrophobicContact CD2-CG 4.36Å; Y915-L933 HydrophobicContact CE1-CD2 3.76Å; Y915-L933 HydrophobicContact CE1-CG 3.99Å; Y915-L933 HydrophobicContact CE2-CD1 4.2Å; Y915-L933 HydrophobicContact CE2-CD2 3.71Å; Y915-L933 HydrophobicContact CE2-CG 3.81Å; Y915-L933 HydrophobicContact CG-CD2 3.76Å; Y915-L933 VanDerWaalsContact N-CD2 3.35Å
916	D	88.8	Confident	89.9	Confident	97 Å²	97	40.5 Å²	40.5	52%	0.519	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	155.3	-173.2	-151.2	4.1	0	0	0	113.2	K913 P914 I918	K913-D916 HydrophobicContact CB-CB 4.16Å; K913-D916 WeakPolarHBondContact CD-OD1 3Å; K913-D916 WeakPolarHBondContact CE-OD1 3.12Å; K913-D916 HydrophobicContact CG-CB 4.3Å; K913-D916 IonicContact NZ-OD1 2.76Å; K913-D916 PolarHBondContact NZ-OD1 3.45Å; K913-D916 IonicContact NZ-OD2 3.56Å; K913-D916 PolarHBondContact O-N 2.99Å; P914-D916 VanDerWaalsContact C-N 3.27Å; P914-D916 PolarHBondContact O-N 3.48Å; D916-I918 PolarHBondContact O-N 3.2Å
917	G	83.8	Confident	89.7	Confident	70 Å²	70	40.4 Å²	40.4	72%	0.722	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.4	-37.4	-167.2	0	0	0	0	0	114.2
918	I	87.5	Confident	89.3	Confident	52 Å²	52	45.2 Å²	45.2	27%	0.267	27%	0.273	S	S	.	.	S	Bend	trans	-72.7	129.5	-174.5	-50.4	-175.3	0	0	0	111.4	K879 Y915 D916 E922 I923 I926	K879-I918 VanDerWaalsContact CE-O 3.26Å; K879-I918 WeakPolarHBondContact CE-O 3.39Å; K879-I918 PolarHBondContact NZ-O 3.1Å; Y915-I918 WeakPolarHBondContact O-CB 3.44Å; Y915-I918 PolarHBondContact O-N 2.87Å; D916-I918 PolarHBondContact O-N 3.2Å; I918-E922 HydrophobicContact CG2-CB 3.98Å; I918-I923 HydrophobicContact CB-CD1 4.35Å; I918-I923 HydrophobicContact CG2-CD1 3.98Å; I918-I926 HydrophobicContact CD1-CD1 3.7Å; I918-I926 HydrophobicContact CG2-CD1 4.39Å
919	P	82.5	Confident	88.9	Confident	58 Å²	58	52.1 Å²	52.1	38%	0.377	30%	0.303	S	S	.	.			trans	-61.7	146.1	171.8	-27.1	38.6	0	0	0	113.1	S921 E922	P919-S921 PolarHBondContact O-N 2.8Å; P919-S921 VanDerWaalsContact O-N 3.15Å; P919-E922 VanDerWaalsContact CG-OE1 3.31Å; P919-E922 WeakPolarHBondContact CG-OE1 3.06Å; P919-E922 PolarHBondContact O-N 2.77Å; P919-E922 VanDerWaalsContact O-N 3.07Å
920	A	82.3	Confident	88.5	Confident	49 Å²	49	53.5 Å²	53.5	41%	0.405	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	-62.8	-24.2	-178.5	0	0	0	0	0	113.5	I878 E922	I878-A920 HydrophobicContact CB-CB 4.49Å; I878-A920 HydrophobicContact CD1-CB 4.27Å; I878-A920 WeakPolarHBondContact CG2-O 3.41Å; A920-E922 VanDerWaalsContact C-N 3.31Å; A920-E922 PolarHBondContact O-N 2.84Å
921	S	82.1	Confident	88.3	Confident	93 Å²	93	56.7 Å²	56.7	65%	0.65	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-70.6	-19.3	175.4	44	0	0	0	0	114.6	P919	P919-S921 PolarHBondContact O-N 2.8Å; P919-S921 VanDerWaalsContact O-N 3.15Å
922	E	88.8	Confident	88.4	Confident	101 Å²	101	58.9 Å²	58.9	47%	0.472	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-98.3	-5.8	-175.7	-70.2	165.1	-141.3	0	0	112.7	I918 P919 A920 S924 S925 I926	I918-E922 HydrophobicContact CG2-CB 3.98Å; P919-E922 VanDerWaalsContact CG-OE1 3.31Å; P919-E922 WeakPolarHBondContact CG-OE1 3.06Å; P919-E922 PolarHBondContact O-N 2.77Å; P919-E922 VanDerWaalsContact O-N 3.07Å; A920-E922 VanDerWaalsContact C-N 3.31Å; A920-E922 PolarHBondContact O-N 2.84Å; E922-S924 PolarHBondContact O-N 3.42Å; E922-S925 PolarHBondContact O-N 3.11Å; E922-I926 PolarHBondContact O-N 2.88Å
923	I	89.9	Confident	88.5	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-64.5	-38.6	-173.1	-59.9	-65.2	0	0	0	112.4	I878 K879 I886 Y915 I918 I926 L927	I878-I923 HydrophobicContact CG2-CB 3.93Å; I878-I923 HydrophobicContact CG2-CG1 4.26Å; I878-I923 HydrophobicContact CG2-CG2 4.15Å; K879-I923 HydrophobicContact CD-CD1 4.34Å; K879-I923 HydrophobicContact CG-CD1 4.14Å; K879-I923 HydrophobicContact CG-CG1 4.17Å; I886-I923 HydrophobicContact CD1-CG2 4.11Å; Y915-I923 HydrophobicContact CD2-CD1 4.21Å; Y915-I923 HydrophobicContact CG-CD1 3.96Å; I918-I923 HydrophobicContact CB-CD1 4.35Å; I918-I923 HydrophobicContact CG2-CD1 3.98Å; I923-I926 HydrophobicContact CD1-CD1 4.11Å; I923-I926 WeakPolarHBondContact O-CG1 3.28Å; I923-I926 PolarHBondContact O-N 2.04Å; I923-L927 HydrophobicContact CG2-CD1 3.84Å; I923-L927 HydrophobicContact CG2-CG 4.29Å; I923-L927 WeakPolarHBondContact O-CB 3.39Å; I923-L927 VanDerWaalsContact O-CG 3.23Å; I923-L927 WeakPolarHBondContact O-CG 3.38Å; I923-L927 PolarHBondContact O-N 2.58Å; I923-L927 VanDerWaalsContact O-N 3.15Å
924	S	87.4	Confident	88.8	Confident	22 Å²	22	55.3 Å²	55.3	15%	0.154	33%	0.329	C	S	.	.	H	α-helix	trans	-58.7	-49.9	174	46	0	0	0	0	111.1	E922 I926 L927 E928	E922-S924 PolarHBondContact O-N 3.42Å; S924-I926 VanDerWaalsContact C-N 3.26Å; S924-I926 PolarHBondContact O-N 3.34Å; S924-L927 PolarHBondContact O-N 3.15Å; S924-L927 VanDerWaalsContact O-N 3.08Å; S924-E928 WeakPolarHBondContact O-CB 3.33Å; S924-E928 VanDerWaalsContact O-CG 3.23Å; S924-E928 WeakPolarHBondContact O-CG 3.26Å; S924-E928 PolarHBondContact O-N 2.99Å
925	S	87.8	Confident	88.9	Confident	55 Å²	55	59.2 Å²	59.2	39%	0.385	35%	0.348	S	S	.	.	H	α-helix	trans	-75.8	-3.1	-174.1	-56.9	0	0	0	0	115.8	E922 E928 K929	E922-S925 PolarHBondContact O-N 3.11Å; S925-E928 WeakPolarHBondContact CA-OE2 3.44Å; S925-E928 PolarHBondContact OG-OE2 3.21Å; S925-K929 WeakPolarHBondContact O-CD 3.24Å; S925-K929 WeakPolarHBondContact O-CE 3.4Å; S925-K929 WeakPolarHBondContact O-CG 3.49Å; S925-K929 PolarHBondContact O-NZ 2.84Å; S925-K929 VanDerWaalsContact O-NZ 3.12Å
926	I	91.3	Very high	89.1	Confident	16 Å²	16	58.4 Å²	58.4	8%	0.082	35%	0.345	C	S	.	.	H	α-helix	trans	-95.9	-38.8	162.4	62.2	173.6	0	0	0	111	Y915 I918 E922 I923 S924 E928 K929 G930 E931	Y915-I926 HydrophobicContact CD1-CD1 3.62Å; Y915-I926 HydrophobicContact CE1-CD1 3.98Å; Y915-I926 HydrophobicContact CG-CD1 4.34Å; I918-I926 HydrophobicContact CD1-CD1 3.7Å; I918-I926 HydrophobicContact CG2-CD1 4.39Å; E922-I926 PolarHBondContact O-N 2.88Å; I923-I926 HydrophobicContact CD1-CD1 4.11Å; I923-I926 WeakPolarHBondContact O-CG1 3.28Å; I923-I926 PolarHBondContact O-N 2.04Å; S924-I926 VanDerWaalsContact C-N 3.26Å; S924-I926 PolarHBondContact O-N 3.34Å; I926-E928 VanDerWaalsContact C-N 3.35Å; I926-E928 PolarHBondContact O-N 2.79Å; I926-K929 WeakPolarHBondContact O-CB 3.35Å; I926-K929 PolarHBondContact O-N 3.12Å; I926-K929 VanDerWaalsContact O-N 3.14Å; I926-G930 PolarHBondContact O-N 3.4Å; I926-E931 HydrophobicContact CB-CB 4.13Å; I926-E931 HydrophobicContact CB-CG 4.5Å; I926-E931 WeakPolarHBondContact O-CB 3.44Å; I926-E931 PolarHBondContact O-N 2.96Å
927	L	91.8	Very high	89.1	Confident	1 Å²	1	60 Å²	60	1%	0.005	36%	0.36	C	S	.	.	H	α-helix	trans	-65.4	-37.5	178.1	-70.6	178.4	0	0	0	112.5	L883 I886 W898 Y915 I923 S924 K929 G930 R932	L883-L927 HydrophobicContact CD1-CB 4.08Å; I886-L927 HydrophobicContact CD1-CD1 3.94Å; W898-L927 HydrophobicContact CH2-CD1 4.38Å; W898-L927 HydrophobicContact CH2-CD2 4.04Å; W898-L927 HydrophobicContact CZ2-CD1 3.78Å; W898-L927 HydrophobicContact CZ2-CD2 3.64Å; W898-L927 HydrophobicContact CZ2-CG 4.3Å; Y915-L927 WeakPolarHBondContact OH-CD2 3.34Å; I923-L927 HydrophobicContact CG2-CD1 3.84Å; I923-L927 HydrophobicContact CG2-CG 4.29Å; I923-L927 WeakPolarHBondContact O-CB 3.39Å; I923-L927 VanDerWaalsContact O-CG 3.23Å; I923-L927 WeakPolarHBondContact O-CG 3.38Å; I923-L927 PolarHBondContact O-N 2.58Å; I923-L927 VanDerWaalsContact O-N 3.15Å; S924-L927 PolarHBondContact O-N 3.15Å; S924-L927 VanDerWaalsContact O-N 3.08Å; L927-K929 VanDerWaalsContact C-N 3.3Å; L927-K929 PolarHBondContact O-N 3.11Å; L927-G930 PolarHBondContact O-N 2.89Å; L927-G930 VanDerWaalsContact O-N 3.08Å; L927-R932 PolarHBondContact O-NH1 2.93Å
928	E	88.4	Confident	89.5	Confident	101 Å²	101	57.7 Å²	57.7	47%	0.472	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-34.2	172.3	-74.4	163.9	172.2	0	0	112.5	L883 S924 S925 I926 G930	L883-E928 HydrophobicContact CD1-CG 4.18Å; L883-E928 HydrophobicContact CD2-CG 4.03Å; S924-E928 WeakPolarHBondContact O-CB 3.33Å; S924-E928 VanDerWaalsContact O-CG 3.23Å; S924-E928 WeakPolarHBondContact O-CG 3.26Å; S924-E928 PolarHBondContact O-N 2.99Å; S925-E928 WeakPolarHBondContact CA-OE2 3.44Å; S925-E928 PolarHBondContact OG-OE2 3.21Å; I926-E928 VanDerWaalsContact C-N 3.35Å; I926-E928 PolarHBondContact O-N 2.79Å; E928-G930 PolarHBondContact O-N 3.5Å
929	K	88.6	Confident	89.8	Confident	147 Å²	147	55.6 Å²	55.6	64%	0.639	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-0.9	174.6	-64.5	170.8	-170.9	149.6	0	113.2	S925 I926 L927 E931	S925-K929 WeakPolarHBondContact O-CD 3.24Å; S925-K929 WeakPolarHBondContact O-CE 3.4Å; S925-K929 WeakPolarHBondContact O-CG 3.49Å; S925-K929 PolarHBondContact O-NZ 2.84Å; S925-K929 VanDerWaalsContact O-NZ 3.12Å; I926-K929 WeakPolarHBondContact O-CB 3.35Å; I926-K929 PolarHBondContact O-N 3.12Å; I926-K929 VanDerWaalsContact O-N 3.14Å; L927-K929 VanDerWaalsContact C-N 3.3Å; L927-K929 PolarHBondContact O-N 3.11Å; K929-E931 VanDerWaalsContact C-N 3.33Å; K929-E931 HydrophobicContact CB-CG 4.39Å
930	G	86.1	Confident	90.4	Very high	48 Å²	48	54.4 Å²	54.4	50%	0.495	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.6	4.7	-175	0	0	0	0	0	114.7	I926 L927 E928	I926-G930 PolarHBondContact O-N 3.4Å; L927-G930 PolarHBondContact O-N 2.89Å; L927-G930 VanDerWaalsContact O-N 3.08Å; E928-G930 PolarHBondContact O-N 3.5Å
931	E	89.5	Confident	90.9	Very high	93 Å²	93	57.1 Å²	57.1	44%	0.435	32%	0.319	S	S	.	.			trans	-66.2	145.7	175.1	-60.7	177.5	-145.1	0	0	110.5	I926 K929	I926-E931 HydrophobicContact CB-CB 4.13Å; I926-E931 HydrophobicContact CB-CG 4.5Å; I926-E931 WeakPolarHBondContact O-CB 3.44Å; I926-E931 PolarHBondContact O-N 2.96Å; K929-E931 VanDerWaalsContact C-N 3.33Å; K929-E931 HydrophobicContact CB-CG 4.39Å
932	R	93.6	Very high	91.4	Very high	50 Å²	50	56.1 Å²	56.1	19%	0.189	31%	0.307	C	S	.	.			trans	-144.2	167.2	-177.1	-65.6	-61.4	-177.2	-88.9	2.2	110.4	L927 W951	L927-R932 PolarHBondContact O-NH1 2.93Å; R932-W951 HydrophobicContact CB-CE3 4.19Å; R932-W951 HydrophobicContact CG-CE3 4.5Å; R932-W951 PolarHBondContact NE-O 2.84Å; R932-W951 PolarHBondContact NH2-O 2.82Å
933	L	95.3	Very high	91.7	Very high	2 Å²	2	51.3 Å²	51.3	1%	0.01	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-61.5	134.7	173.3	-64.4	169.7	0	0	0	110.3	V902 W905 P914 Y915 Y944 W951	V902-L933 HydrophobicContact CB-CD1 4.48Å; V902-L933 HydrophobicContact CG1-CD1 4.03Å; V902-L933 HydrophobicContact CG2-CD1 4.18Å; W905-L933 HydrophobicContact CB-CD1 4.15Å; W905-L933 HydrophobicContact CD2-CB 4.14Å; W905-L933 HydrophobicContact CD2-CD1 3.78Å; W905-L933 HydrophobicContact CD2-CD2 4.46Å; W905-L933 HydrophobicContact CD2-CG 4.34Å; W905-L933 HydrophobicContact CE3-CD1 4.02Å; W905-L933 HydrophobicContact CG-CB 4.1Å; W905-L933 HydrophobicContact CG-CD1 3.84Å; W905-L933 HydrophobicContact CH2-CD2 4.36Å; W905-L933 HydrophobicContact CZ2-CB 4.44Å; W905-L933 HydrophobicContact CZ2-CD2 4.24Å; P914-L933 HydrophobicContact CB-CD1 4.27Å; P914-L933 HydrophobicContact CB-CD2 4.2Å; Y915-L933 HydrophobicContact CD1-CD2 3.78Å; Y915-L933 HydrophobicContact CD2-CD2 3.73Å; Y915-L933 HydrophobicContact CD2-CG 4.36Å; Y915-L933 HydrophobicContact CE1-CD2 3.76Å; Y915-L933 HydrophobicContact CE1-CG 3.99Å; Y915-L933 HydrophobicContact CE2-CD1 4.2Å; Y915-L933 HydrophobicContact CE2-CD2 3.71Å; Y915-L933 HydrophobicContact CE2-CG 3.81Å; Y915-L933 HydrophobicContact CG-CD2 3.76Å; Y915-L933 VanDerWaalsContact N-CD2 3.35Å; L933-Y944 PolarHBondContact O-OH 2.95Å; L933-W951 HydrophobicContact CB-CH2 3.74Å; L933-W951 HydrophobicContact CB-CZ2 4.35Å; L933-W951 HydrophobicContact CB-CZ3 4.1Å; L933-W951 HydrophobicContact CD1-CH2 4.1Å; L933-W951 HydrophobicContact CD1-CZ2 3.88Å; L933-W951 HydrophobicContact CG-CH2 4.42Å
934	P	94	Very high	92	Very high	87 Å²	87	53.6 Å²	53.6	57%	0.565	29%	0.293	S	S	*	.	P	Polyproline II helix	trans	-71	157.3	-176.3	30.2	-36.4	0	0	0	112.1	W905 P936	W905-P934 PolarHBondContact NE1-O 2.82Å; P934-P936 WeakPolarHBondContact O-CD 3.48Å
935	Q	95.3	Very high	92.4	Very high	83 Å²	83	56.6 Å²	56.6	39%	0.388	31%	0.306	S	S	.	.	P	Polyproline II helix	trans	-54.4	123.9	176.4	179.4	167.6	-9.9	0	0	111.7	C939 Y944	Q935-C939 PolarHBondContact NE2-O 3.09Å; Q935-Y944 HydrophobicContact CB-CD1 3.87Å; Q935-Y944 HydrophobicContact CB-CD2 3.86Å; Q935-Y944 HydrophobicContact CB-CE1 4.03Å; Q935-Y944 HydrophobicContact CB-CE2 4.01Å; Q935-Y944 HydrophobicContact CB-CG 3.79Å; Q935-Y944 HydrophobicContact CG-CD1 4.14Å; Q935-Y944 HydrophobicContact CG-CD2 4.23Å; Q935-Y944 HydrophobicContact CG-CG 3.84Å
936	P	95.6	Very high	92.8	Very high	1 Å²	1	54.7 Å²	54.7	1%	0.006	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-60.7	137.2	174.8	-24.6	35	0	0	0	111.3	W905 M908 T909 P934 I938 C939 M947	W905-P936 HydrophobicContact CG-CG 4.39Å; M908-P936 HydrophobicContact CB-CB 3.78Å; M908-P936 HydrophobicContact CB-CG 3.8Å; T909-P936 HydrophobicContact CG2-CB 3.79Å; T909-P936 HydrophobicContact CG2-CG 3.94Å; P934-P936 WeakPolarHBondContact O-CD 3.48Å; P936-I938 PolarHBondContact O-N 3.36Å; P936-C939 HydrophobicContact CB-CB 4.34Å; P936-C939 PolarHBondContact O-N 2.89Å; P936-M947 HydrophobicContact CG-CE 3.94Å; P936-M947 HydrophobicContact CG-SD 4.22Å
937	P	88.7	Confident	93.1	Very high	130 Å²	130	54 Å²	54	84%	0.844	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-22.8	-173.5	-28.3	35.8	0	0	0	116
938	I	92.9	Very high	93.3	Very high	23 Å²	23	55.6 Å²	55.6	12%	0.118	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-15	177	65.4	167	0	0	0	113.4	L814 M908 F910 P936 L979 V980 I981	L814-I938 HydrophobicContact CD1-CD1 3.68Å; M908-I938 HydrophobicContact CB-CD1 4.4Å; M908-I938 HydrophobicContact CB-CG1 4.48Å; M908-I938 WeakPolarHBondContact O-CD1 3.49Å; M908-I938 WeakPolarHBondContact O-CG1 3.48Å; M908-I938 HydrophobicContact SD-CD1 4.21Å; F910-I938 HydrophobicContact CE2-CD1 3.9Å; F910-I938 HydrophobicContact CE2-CG2 4.21Å; F910-I938 HydrophobicContact CZ-CD1 4.18Å; P936-I938 PolarHBondContact O-N 3.36Å; I938-L979 HydrophobicContact CD1-CD2 4.32Å; I938-L979 HydrophobicContact CG1-CD2 4.34Å; I938-L979 CarbonylContact O-C 3.54Å; I938-L979 VanDerWaalsContact O-CA 3.25Å; I938-L979 WeakPolarHBondContact O-CA 3.37Å; I938-V980 PolarHBondContact O-N 3.24Å; I938-I981 HydrophobicContact CB-CG1 4.13Å; I938-I981 HydrophobicContact CD1-CD1 4.15Å; I938-I981 HydrophobicContact CD1-CG1 4.25Å; I938-I981 HydrophobicContact CG2-CG1 4.05Å
939	C	94.9	Very high	93.7	Very high	7 Å²	7	56.6 Å²	56.6	5%	0.047	30%	0.3	C	S	.	.	B	Isolated β-bridge	trans	-86.5	136.7	-173.3	-72.2	0	0	0	0	112.2	M908 Q935 P936 V943 L979	M908-C939 VanDerWaalsContact CB-SG 3.59Å; M908-C939 VanDerWaalsContact CG-SG 3.59Å; Q935-C939 PolarHBondContact NE2-O 3.09Å; P936-C939 HydrophobicContact CB-CB 4.34Å; P936-C939 PolarHBondContact O-N 2.89Å; C939-V943 HydrophobicContact CB-CB 4.17Å; C939-L979 HydrophobicContact CB-CD2 4.43Å; C939-L979 VanDerWaalsContact SG-CD2 3.59Å
940	T	94.7	Very high	94.1	Very high	33 Å²	33	49.6 Å²	49.6	20%	0.202	27%	0.27	C	S	.	.			trans	-71.9	165.8	159.6	67.6	0	0	0	0	111.1	D942 V943 Y944 R977 Y978 V980	T940-D942 PolarHBondContact O-N 3.09Å; T940-V943 PolarHBondContact O-N 3.17Å; T940-Y944 PolarHBondContact O-N 3.11Å; T940-R977 VanDerWaalsContact CG2-O 3.29Å; T940-R977 WeakPolarHBondContact CG2-O 3.45Å; T940-Y978 PolarHBondContact N-O 2.04Å; T940-Y978 PolarHBondContact OG1-O 2.96Å; T940-V980 HydrophobicContact CG2-CG2 4.27Å
941	I	91.5	Very high	94.6	Very high	107 Å²	107	47.4 Å²	47.4	55%	0.549	25%	0.247	S	C	.	.	H	α-helix	trans	-58.6	-30.2	179.8	-166.9	166.9	0	0	0	112.6	V943 Y944 M945	I941-V943 PolarHBondContact O-N 3.32Å; I941-Y944 PolarHBondContact O-N 2.86Å; I941-M945 HydrophobicContact CG1-CG 3.97Å; I941-M945 VanDerWaalsContact O-CB 3.29Å; I941-M945 WeakPolarHBondContact O-CB 3.42Å; I941-M945 WeakPolarHBondContact O-CG 3.48Å; I941-M945 PolarHBondContact O-N 3.38Å
942	D	93.2	Very high	94.8	Very high	72 Å²	72	46.8 Å²	46.8	39%	0.385	25%	0.245	S	C	.	.	H	α-helix	trans	-60.3	-46	177.9	-65.6	-31.9	0	0	0	112	T940 I946 M971 Y978	T940-D942 PolarHBondContact O-N 3.09Å; D942-I946 PolarHBondContact O-N 3.04Å; D942-M971 HydrophobicContact CB-CE 4.01Å; D942-Y978 HydrophobicContact CB-CD1 3.89Å; D942-Y978 HydrophobicContact CB-CE1 3.88Å; D942-Y978 WeakPolarHBondContact OD2-CE1 3.47Å
943	V	94.4	Very high	94.6	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-70	-43.1	179.3	-173	0	0	0	0	110.4	M908 C939 T940 I941 M945 I946 M947 F968 M971 Y978 L979	M908-V943 HydrophobicContact CE-CG1 4.47Å; C939-V943 HydrophobicContact CB-CB 4.17Å; T940-V943 PolarHBondContact O-N 3.17Å; I941-V943 PolarHBondContact O-N 3.32Å; V943-M945 VanDerWaalsContact C-N 3.33Å; V943-M945 PolarHBondContact O-N 3.18Å; V943-I946 PolarHBondContact O-N 2.03Å; V943-M947 HydrophobicContact CG1-CE 3.89Å; V943-M947 PolarHBondContact O-N 3.16Å; V943-F968 HydrophobicContact CG1-CE1 4.33Å; V943-M971 HydrophobicContact CG2-CE 4.4Å; V943-M971 HydrophobicContact CG2-SD 4.01Å; V943-Y978 HydrophobicContact CG2-CD1 4.3Å; V943-Y978 HydrophobicContact CG2-CG 4.44Å; V943-Y978 VanDerWaalsContact CG2-O 3.31Å; V943-Y978 WeakPolarHBondContact CG2-O 3.42Å; V943-L979 HydrophobicContact CG2-CD2 4.32Å
944	Y	97	Very high	94.4	Very high	47 Å²	47	52.3 Å²	52.3	18%	0.184	28%	0.277	C	S	.	.	H	α-helix	trans	-64.1	-37	178.1	-179.5	-122.3	0	0	0	112.3	L933 Q935 T940 I941 I946 M947 V948 W951	L933-Y944 PolarHBondContact O-OH 2.95Å; Q935-Y944 HydrophobicContact CB-CD1 3.87Å; Q935-Y944 HydrophobicContact CB-CD2 3.86Å; Q935-Y944 HydrophobicContact CB-CE1 4.03Å; Q935-Y944 HydrophobicContact CB-CE2 4.01Å; Q935-Y944 HydrophobicContact CB-CG 3.79Å; Q935-Y944 HydrophobicContact CG-CD1 4.14Å; Q935-Y944 HydrophobicContact CG-CD2 4.23Å; Q935-Y944 HydrophobicContact CG-CG 3.84Å; T940-Y944 PolarHBondContact O-N 3.11Å; I941-Y944 PolarHBondContact O-N 2.86Å; Y944-I946 VanDerWaalsContact C-N 3.26Å; Y944-I946 PolarHBondContact O-N 3.06Å; Y944-M947 HydrophobicContact CD2-SD 4.42Å; Y944-M947 WeakPolarHBondContact O-CA 3.24Å; Y944-M947 WeakPolarHBondContact O-CB 3.37Å; Y944-M947 PolarHBondContact O-N 2.98Å; Y944-V948 HydrophobicContact CD1-CG2 4.2Å; Y944-V948 HydrophobicContact CD2-CG2 4.33Å; Y944-V948 HydrophobicContact CE1-CG2 3.81Å; Y944-V948 HydrophobicContact CE2-CG2 3.97Å; Y944-V948 HydrophobicContact CG-CG2 4.45Å; Y944-V948 WeakPolarHBondContact O-CG2 3.35Å; Y944-V948 PolarHBondContact O-N 3.15Å; Y944-W951 HydrophobicContact CE2-CZ3 4.2Å
945	M	95.8	Very high	94.3	Very high	85 Å²	85	49.3 Å²	49.3	42%	0.419	26%	0.26	S	S	.	.	H	α-helix	trans	-64	-28.4	176.1	-76.4	-94.3	62.8	0	0	113	I941 V943 V948 K949	I941-M945 HydrophobicContact CG1-CG 3.97Å; I941-M945 VanDerWaalsContact O-CB 3.29Å; I941-M945 WeakPolarHBondContact O-CB 3.42Å; I941-M945 WeakPolarHBondContact O-CG 3.48Å; I941-M945 PolarHBondContact O-N 3.38Å; V943-M945 VanDerWaalsContact C-N 3.33Å; V943-M945 PolarHBondContact O-N 3.18Å; M945-V948 HydrophobicContact CE-CB 3.79Å; M945-V948 HydrophobicContact CE-CG1 3.76Å; M945-V948 HydrophobicContact CE-CG2 4.26Å; M945-K949 WeakPolarHBondContact O-CB 3.39Å; M945-K949 VanDerWaalsContact O-CG 3.29Å; M945-K949 WeakPolarHBondContact O-CG 3.46Å; M945-K949 PolarHBondContact O-N 2.9Å
946	I	96.5	Very high	94	Very high	16 Å²	16	52.3 Å²	52.3	8%	0.082	28%	0.278	C	S	.	.	H	α-helix	trans	-69.3	-41.1	170.1	-62.1	178	0	0	0	110.8	D942 V943 Y944 K949 C950 L964 E967 F968 M971	D942-I946 PolarHBondContact O-N 3.04Å; V943-I946 PolarHBondContact O-N 2.03Å; Y944-I946 VanDerWaalsContact C-N 3.26Å; Y944-I946 PolarHBondContact O-N 3.06Å; I946-K949 PolarHBondContact O-N 3.3Å; I946-C950 PolarHBondContact O-N 3.29Å; I946-C950 PolarHBondContact O-SG 2.86Å; I946-L964 HydrophobicContact CG2-CD2 3.48Å; I946-L964 VanDerWaalsContact CG2-CD2 3.48Å; I946-E967 HydrophobicContact CD1-CB 3.81Å; I946-F968 HydrophobicContact CB-CZ 4.44Å; I946-F968 HydrophobicContact CD1-CE2 4.44Å; I946-F968 HydrophobicContact CG2-CE2 3.63Å; I946-F968 HydrophobicContact CG2-CZ 3.96Å; I946-M971 HydrophobicContact CD1-CE 3.47Å; I946-M971 VanDerWaalsContact CD1-CE 3.47Å; I946-M971 HydrophobicContact CD1-SD 3.95Å; I946-M971 HydrophobicContact CG1-CE 4.41Å
947	M	97.1	Very high	94	Very high	1 Å²	1	55.5 Å²	55.5	1%	0.005	30%	0.301	C	S	.	.	H	α-helix	trans	-61.4	-45.8	174.9	-50.1	-174.7	-160.4	0	0	111.3	V904 W905 M908 P936 V943 Y944 K949 C950 W951	V904-M947 HydrophobicContact CG1-CE 3.86Å; V904-M947 HydrophobicContact CG1-CG 4.4Å; V904-M947 HydrophobicContact CG1-SD 4.5Å; W905-M947 HydrophobicContact CB-SD 4.04Å; M908-M947 HydrophobicContact CB-CE 4.18Å; M908-M947 HydrophobicContact CG-CE 3.82Å; P936-M947 HydrophobicContact CG-CE 3.94Å; P936-M947 HydrophobicContact CG-SD 4.22Å; V943-M947 HydrophobicContact CG1-CE 3.89Å; V943-M947 PolarHBondContact O-N 3.16Å; Y944-M947 HydrophobicContact CD2-SD 4.42Å; Y944-M947 WeakPolarHBondContact O-CA 3.24Å; Y944-M947 WeakPolarHBondContact O-CB 3.37Å; Y944-M947 PolarHBondContact O-N 2.98Å; M947-K949 VanDerWaalsContact C-N 3.34Å; M947-K949 PolarHBondContact O-N 3.08Å; M947-C950 WeakPolarHBondContact O-CA 3.29Å; M947-C950 WeakPolarHBondContact O-CB 3.39Å; M947-C950 PolarHBondContact O-N 2.85Å; M947-W951 HydrophobicContact CB-CE3 4.24Å; M947-W951 HydrophobicContact CB-CH2 3.59Å; M947-W951 HydrophobicContact CB-CZ2 3.97Å; M947-W951 HydrophobicContact CB-CZ3 3.74Å; M947-W951 HydrophobicContact CG-CH2 4.42Å; M947-W951 PolarHBondContact O-N 3.08Å; M947-W951 VanDerWaalsContact O-N 3.17Å; M947-W951 HydrophobicContact SD-CH2 4.15Å
948	V	95.9	Very high	94.4	Very high	35 Å²	35	49.6 Å²	49.6	21%	0.212	26%	0.262	C	S	.	.	H	α-helix	trans	-60.6	-41	176.6	173.6	0	0	0	0	111.7	Y944 M945 C950 W951 M952	Y944-V948 HydrophobicContact CD1-CG2 4.2Å; Y944-V948 HydrophobicContact CD2-CG2 4.33Å; Y944-V948 HydrophobicContact CE1-CG2 3.81Å; Y944-V948 HydrophobicContact CE2-CG2 3.97Å; Y944-V948 HydrophobicContact CG-CG2 4.45Å; Y944-V948 WeakPolarHBondContact O-CG2 3.35Å; Y944-V948 PolarHBondContact O-N 3.15Å; M945-V948 HydrophobicContact CE-CB 3.79Å; M945-V948 HydrophobicContact CE-CG1 3.76Å; M945-V948 HydrophobicContact CE-CG2 4.26Å; V948-C950 VanDerWaalsContact C-N 3.29Å; V948-C950 PolarHBondContact O-N 3.01Å; V948-W951 CarbonylContact O-C 3.56Å; V948-W951 WeakPolarHBondContact O-CA 3.21Å; V948-W951 PolarHBondContact O-N 3.12Å; V948-M952 PolarHBondContact O-N 2.88Å
949	K	96.4	Very high	94.6	Very high	121 Å²	121	49.3 Å²	49.3	53%	0.526	26%	0.261	S	S	.	.	H	α-helix	trans	-61.7	-33.4	172.5	-78.1	177.4	178.1	-172.7	0	113.2	M945 I946 M947 W951 M952 P959	M945-K949 WeakPolarHBondContact O-CB 3.39Å; M945-K949 VanDerWaalsContact O-CG 3.29Å; M945-K949 WeakPolarHBondContact O-CG 3.46Å; M945-K949 PolarHBondContact O-N 2.9Å; I946-K949 PolarHBondContact O-N 3.3Å; M947-K949 VanDerWaalsContact C-N 3.34Å; M947-K949 PolarHBondContact O-N 3.08Å; K949-W951 PolarHBondContact O-N 3.21Å; K949-M952 WeakPolarHBondContact O-CG 3.17Å; K949-P959 HydrophobicContact CB-CG 4.21Å; K949-P959 WeakPolarHBondContact O-CD 3.33Å
950	C	97.5	Very high	94.6	Very high	1 Å²	1	54 Å²	54	1%	0.007	28%	0.281	C	S	.	.	H	α-helix	trans	-70.2	-20.6	172.5	-60.7	0	0	0	0	112.7	V897 W898 I946 M947 V948	V897-C950 HydrophobicContact CG1-CB 4.03Å; V897-C950 WeakPolarHBondContact O-CB 3.06Å; W898-C950 VanDerWaalsContact CA-O 3.3Å; W898-C950 WeakPolarHBondContact CA-O 3.42Å; I946-C950 PolarHBondContact O-N 3.29Å; I946-C950 PolarHBondContact O-SG 2.86Å; M947-C950 WeakPolarHBondContact O-CA 3.29Å; M947-C950 WeakPolarHBondContact O-CB 3.39Å; M947-C950 PolarHBondContact O-N 2.85Å; V948-C950 VanDerWaalsContact C-N 3.29Å; V948-C950 PolarHBondContact O-N 3.01Å
951	W	96.9	Very high	94.7	Very high	2 Å²	2	52.5 Å²	52.5	1%	0.008	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.7	22.5	-178.2	-50.9	-41.3	0	0	0	114.6	W898 G901 V902 W905 R932 L933 Y944 M947 V948 K949	W898-W951 AromaticContact CD1-CD1 3.99Å; W898-W951 HydrophobicContact CD2-CB 4.36Å; W898-W951 AromaticContact CD2-CD1 3.78Å; W898-W951 HydrophobicContact CD2-CG 4.45Å; W898-W951 AromaticContact CE2-CD1 3.87Å; W898-W951 HydrophobicContact CE3-CB 4.18Å; W898-W951 AromaticContact CG-CD1 3.85Å; W898-W951 HydrophobicContact CH2-CB 4.25Å; W898-W951 HydrophobicContact CZ2-CB 4.43Å; W898-W951 HydrophobicContact CZ3-CB 4.13Å; W898-W951 VanDerWaalsContact CZ3-O 3.29Å; W898-W951 WeakPolarHBondContact CZ3-O 3.38Å; W898-W951 AromaticContact NE1-CD1 3.99Å; W898-W951 PolarHBondContact O-NE1 3.09Å; G901-W951 WeakPolarHBondContact O-CZ2 3.2Å; V902-W951 HydrophobicContact CG2-CZ2 4.4Å; W905-W951 HydrophobicContact CB-CH2 4.11Å; W905-W951 HydrophobicContact CB-CZ2 4.08Å; W905-W951 HydrophobicContact CG-CH2 4.28Å; R932-W951 HydrophobicContact CB-CE3 4.19Å; R932-W951 HydrophobicContact CG-CE3 4.5Å; R932-W951 PolarHBondContact NE-O 2.84Å; R932-W951 PolarHBondContact NH2-O 2.82Å; L933-W951 HydrophobicContact CB-CH2 3.74Å; L933-W951 HydrophobicContact CB-CZ2 4.35Å; L933-W951 HydrophobicContact CB-CZ3 4.1Å; L933-W951 HydrophobicContact CD1-CH2 4.1Å; L933-W951 HydrophobicContact CD1-CZ2 3.88Å; L933-W951 HydrophobicContact CG-CH2 4.42Å; Y944-W951 HydrophobicContact CE2-CZ3 4.2Å; M947-W951 HydrophobicContact CB-CE3 4.24Å; M947-W951 HydrophobicContact CB-CH2 3.59Å; M947-W951 HydrophobicContact CB-CZ2 3.97Å; M947-W951 HydrophobicContact CB-CZ3 3.74Å; M947-W951 HydrophobicContact CG-CH2 4.42Å; M947-W951 PolarHBondContact O-N 3.08Å; M947-W951 VanDerWaalsContact O-N 3.17Å; M947-W951 HydrophobicContact SD-CH2 4.15Å; V948-W951 CarbonylContact O-C 3.56Å; V948-W951 WeakPolarHBondContact O-CA 3.21Å; V948-W951 PolarHBondContact O-N 3.12Å; K949-W951 PolarHBondContact O-N 3.21Å
952	M	94.6	Very high	94.9	Very high	79 Å²	79	56.5 Å²	56.5	39%	0.389	28%	0.28	S	S	.	.			trans	-59.4	140.1	168.3	-66.6	-62.5	-69.6	0	0	110.1	W898 V948 K949 D954 R958	W898-M952 WeakPolarHBondContact CZ3-O 3.34Å; V948-M952 PolarHBondContact O-N 2.88Å; K949-M952 WeakPolarHBondContact O-CG 3.17Å; M952-D954 CarbonylContact C-O 3.56Å; M952-R958 HydrophobicContact CB-CG 4.08Å; M952-R958 PolarHBondContact O-NE 3.25Å; M952-R958 PolarHBondContact O-NH2 2.27Å
953	I	89.3	Confident	95	Very high	90 Å²	90	57.9 Å²	57.9	46%	0.462	28%	0.284	S	S	.	.	S	Bend	trans	-60.7	-56.4	177.4	-68.3	-70.8	0	0	0	109.5	L883 A955 R958	L883-I953 HydrophobicContact CD2-CD1 3.74Å; I953-A955 PolarHBondContact O-N 3.28Å; I953-R958 PolarHBondContact O-NH2 2.5Å
954	D	90.7	Very high	95.2	Very high	78 Å²	78	58.1 Å²	58.1	42%	0.417	29%	0.285	S	S	.	.	S	Bend	trans	-57.3	135.9	169.4	171.5	38.9	0	0	0	110.6	M952 D956 S957 R958	M952-D954 CarbonylContact C-O 3.56Å; D954-D956 PolarHBondContact OD1-N 3.35Å; D954-D956 VanDerWaalsContact OD1-N 3.15Å; D954-S957 WeakPolarHBondContact OD2-CB 3.46Å; D954-S957 PolarHBondContact OD2-N 3.05Å; D954-S957 PolarHBondContact OD2-OG 2.92Å; D954-R958 WeakPolarHBondContact O-CG 3.27Å; D954-R958 PolarHBondContact O-NE 3.43Å
955	A	91.1	Very high	95.2	Very high	25 Å²	25	57.3 Å²	57.3	21%	0.207	28%	0.284	C	S	.	.	S	Bend	trans	-81.1	-36.2	-178.5	0	0	0	0	0	112.1	Q894 I953 S957 R958	Q894-A955 HydrophobicContact CB-CB 3.96Å; Q894-A955 WeakPolarHBondContact CG-O 3.44Å; Q894-A955 PolarHBondContact NE2-O 2.85Å; I953-A955 PolarHBondContact O-N 3.28Å; A955-S957 VanDerWaalsContact C-N 3.33Å; A955-R958 WeakPolarHBondContact O-CB 3.48Å; A955-R958 PolarHBondContact O-N 3.1Å
956	D	90.3	Very high	95.2	Very high	145 Å²	145	57.5 Å²	57.5	78%	0.775	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-25.9	-178.8	-79.8	-28.5	0	0	0	112.2	D954 R958	D954-D956 PolarHBondContact OD1-N 3.35Å; D954-D956 VanDerWaalsContact OD1-N 3.15Å; D956-R958 PolarHBondContact O-N 3.27Å
957	S	93.7	Very high	95.1	Very high	68 Å²	68	60 Å²	60	48%	0.476	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-4.8	169.3	-67	0	0	0	0	115.2	D954 A955	D954-S957 WeakPolarHBondContact OD2-CB 3.46Å; D954-S957 PolarHBondContact OD2-N 3.05Å; D954-S957 PolarHBondContact OD2-OG 2.92Å; A955-S957 VanDerWaalsContact C-N 3.33Å
958	R	97.2	Very high	95.1	Very high	6 Å²	6	60 Å²	60	2%	0.023	30%	0.301	C	S	.	.	S	Bend	trans	-87.4	139.1	179.8	-56.4	176	-164	156.8	9.6	110.9	E884 Q894 V897 M952 I953 D954 A955 D956	E884-R958 IonicContact OE1-CZ 3.79Å; E884-R958 IonicContact OE1-NH1 3.5Å; E884-R958 PolarHBondContact OE1-NH1 3.03Å; E884-R958 IonicContact OE1-NH2 3.53Å; E884-R958 PolarHBondContact OE1-NH2 2.87Å; E884-R958 IonicContact OE2-CZ 2.96Å; E884-R958 IonicContact OE2-NH1 3.06Å; E884-R958 IonicContact OE2-NH2 3.39Å; E884-R958 PolarHBondContact OE2-NH2 2.85Å; Q894-R958 PolarHBondContact NE2-O 3.23Å; Q894-R958 WeakPolarHBondContact O-CD 3.4Å; Q894-R958 PolarHBondContact O-NH1 3.18Å; V897-R958 HydrophobicContact CG1-CB 3.97Å; M952-R958 HydrophobicContact CB-CG 4.08Å; M952-R958 PolarHBondContact O-NE 3.25Å; M952-R958 PolarHBondContact O-NH2 2.27Å; I953-R958 PolarHBondContact O-NH2 2.5Å; D954-R958 WeakPolarHBondContact O-CG 3.27Å; D954-R958 PolarHBondContact O-NE 3.43Å; A955-R958 WeakPolarHBondContact O-CB 3.48Å; A955-R958 PolarHBondContact O-N 3.1Å; D956-R958 PolarHBondContact O-N 3.27Å
959	P	97.1	Very high	95.1	Very high	17 Å²	17	59.9 Å²	59.9	11%	0.11	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-70.2	141.5	-176.9	29.7	-35.8	0	0	0	111.8	V897 K949 E963 L964	V897-P959 WeakPolarHBondContact CG1-O 3.35Å; V897-P959 WeakPolarHBondContact CG2-O 3.16Å; K949-P959 HydrophobicContact CB-CG 4.21Å; K949-P959 WeakPolarHBondContact O-CD 3.33Å; P959-E963 HydrophobicContact CB-CB 4.48Å; P959-L964 HydrophobicContact CB-CD2 4.33Å; P959-L964 HydrophobicContact CB-CG 4.37Å; P959-L964 HydrophobicContact CG-CD2 3.84Å; P959-L964 HydrophobicContact CG-CG 4.2Å
960	K	95.1	Very high	95	Very high	106 Å²	106	58.8 Å²	58.8	46%	0.461	30%	0.297	S	S	.	.	P	Polyproline II helix	trans	-72.9	159	179.2	-59.5	-164	175.3	-158.3	0	112.2	R962 E963 L964	K960-R962 PolarHBondContact O-N 3.09Å; K960-R962 VanDerWaalsContact O-N 3.14Å; K960-E963 WeakPolarHBondContact O-CB 3.27Å; K960-E963 PolarHBondContact O-N 3.02Å; K960-L964 PolarHBondContact O-N 3.31Å; K960-L964 VanDerWaalsContact O-N 3.08Å
961	F	97.4	Very high	94.8	Very high	1 Å²	1	58.9 Å²	58.9	0%	0.004	30%	0.297	C	S	.	.	H	α-helix	trans	-59.4	-31.8	179.7	-74.1	-69.3	0	0	0	112.6	M825 N826 E829 D896 V897 Y900 E963 L964 I965	M825-F961 HydrophobicContact CB-CD1 3.47Å; M825-F961 VanDerWaalsContact CB-CD1 3.47Å; M825-F961 HydrophobicContact CB-CD2 3.9Å; M825-F961 HydrophobicContact CB-CE1 3.39Å; M825-F961 HydrophobicContact CB-CE2 3.83Å; M825-F961 HydrophobicContact CB-CG 3.73Å; M825-F961 HydrophobicContact CB-CZ 3.58Å; M825-F961 HydrophobicContact CE-CE2 4.1Å; M825-F961 HydrophobicContact CE-CZ 3.91Å; M825-F961 HydrophobicContact CG-CD1 4.36Å; M825-F961 HydrophobicContact CG-CE1 3.85Å; M825-F961 HydrophobicContact CG-CZ 3.98Å; N826-F961 HydrophobicContact CB-CB 3.8Å; E829-F961 HydrophobicContact CB-CD2 4.47Å; E829-F961 WeakPolarHBondContact OE2-CD2 3.04Å; E829-F961 PolarHBondContact OE2-N 3.09Å; D896-F961 HydrophobicContact CB-CE2 4.09Å; D896-F961 HydrophobicContact CB-CZ 4.06Å; V897-F961 HydrophobicContact CB-CZ 4.38Å; V897-F961 HydrophobicContact CG2-CD2 4.01Å; V897-F961 HydrophobicContact CG2-CE1 4.2Å; V897-F961 HydrophobicContact CG2-CE2 3.6Å; V897-F961 HydrophobicContact CG2-CG 4.47Å; V897-F961 HydrophobicContact CG2-CZ 3.71Å; Y900-F961 HydrophobicContact CD1-CE1 4.46Å; Y900-F961 HydrophobicContact CD2-CE1 4.08Å; Y900-F961 AromaticContact CG-CE1 3.83Å; Y900-F961 HydrophobicContact CG-CE1 3.83Å; F961-E963 VanDerWaalsContact C-N 3.32Å; F961-E963 PolarHBondContact O-N 3.48Å; F961-L964 HydrophobicContact CD1-CD1 3.95Å; F961-L964 HydrophobicContact CE1-CD1 4.26Å; F961-L964 PolarHBondContact O-N 3.14Å; F961-I965 VanDerWaalsContact O-CG1 3.26Å; F961-I965 WeakPolarHBondContact O-CG1 3.3Å; F961-I965 PolarHBondContact O-N 3.32Å
962	R	95.6	Very high	94.6	Very high	192 Å²	192	59.4 Å²	59.4	73%	0.725	30%	0.302	S	S	*	.	H	α-helix	trans	-59.3	-38.5	173.6	-169.4	173.6	175	177.4	-2.6	113.5	N826 K960 V966	N826-R962 WeakPolarHBondContact OD1-CA 3.49Å; N826-R962 VanDerWaalsContact OD1-CB 3.3Å; N826-R962 WeakPolarHBondContact OD1-CB 3.45Å; N826-R962 PolarHBondContact OD1-N 2.83Å; K960-R962 PolarHBondContact O-N 3.09Å; K960-R962 VanDerWaalsContact O-N 3.14Å; R962-V966 WeakPolarHBondContact O-CG2 3.48Å; R962-V966 PolarHBondContact O-N 3.22Å
963	E	96.2	Very high	94.4	Very high	101 Å²	101	65.9 Å²	65.9	47%	0.472	32%	0.322	S	S	.	.	H	α-helix	trans	-75.7	-41.2	178.3	-66.6	155.3	-138.7	0	0	110.9	P959 K960 F961 I965 V966 E967	P959-E963 HydrophobicContact CB-CB 4.48Å; K960-E963 WeakPolarHBondContact O-CB 3.27Å; K960-E963 PolarHBondContact O-N 3.02Å; F961-E963 VanDerWaalsContact C-N 3.32Å; F961-E963 PolarHBondContact O-N 3.48Å; E963-I965 VanDerWaalsContact C-N 3.3Å; E963-I965 PolarHBondContact O-N 3.41Å; E963-V966 PolarHBondContact O-N 3.25Å; E963-E967 PolarHBondContact O-N 3.5Å
964	L	97.3	Very high	94.4	Very high	4 Å²	4	65.1 Å²	65.1	2%	0.021	32%	0.319	C	S	.	.	H	α-helix	trans	-59.3	-40.6	174.4	-66.2	170	0	0	0	111.5	A822 V897 Y900 I946 P959 K960 F961 V966 F968	A822-L964 HydrophobicContact CB-CB 4.43Å; V897-L964 HydrophobicContact CG1-CD1 4.25Å; Y900-L964 HydrophobicContact CD1-CD1 3.79Å; Y900-L964 HydrophobicContact CE1-CB 4.43Å; Y900-L964 HydrophobicContact CE1-CD1 3.88Å; Y900-L964 HydrophobicContact CE1-CD2 4.21Å; Y900-L964 HydrophobicContact CE1-CG 4.41Å; I946-L964 HydrophobicContact CG2-CD2 3.48Å; I946-L964 VanDerWaalsContact CG2-CD2 3.48Å; P959-L964 HydrophobicContact CB-CD2 4.33Å; P959-L964 HydrophobicContact CB-CG 4.37Å; P959-L964 HydrophobicContact CG-CD2 3.84Å; P959-L964 HydrophobicContact CG-CG 4.2Å; K960-L964 PolarHBondContact O-N 3.31Å; K960-L964 VanDerWaalsContact O-N 3.08Å; F961-L964 HydrophobicContact CD1-CD1 3.95Å; F961-L964 HydrophobicContact CE1-CD1 4.26Å; F961-L964 PolarHBondContact O-N 3.14Å; L964-V966 VanDerWaalsContact C-N 3.32Å; L964-V966 PolarHBondContact O-N 3.1Å; L964-F968 HydrophobicContact CD2-CE2 4.26Å; L964-F968 WeakPolarHBondContact O-CB 3.36Å; L964-F968 WeakPolarHBondContact O-CD2 3.4Å; L964-F968 PolarHBondContact O-N 2.79Å
965	I	97.5	Very high	94.4	Very high	31 Å²	31	62.1 Å²	62.1	16%	0.159	30%	0.304	C	S	.	.	H	α-helix	trans	-57.7	-44.8	172.1	-68.4	164.5	0	0	0	110.8	A822 K823 N826 F961 E963 S969	A822-I965 HydrophobicContact CB-CG1 3.71Å; K823-I965 HydrophobicContact CB-CD1 4.45Å; K823-I965 HydrophobicContact CG-CD1 3.9Å; K823-I965 HydrophobicContact CG-CG1 4.02Å; K823-I965 HydrophobicContact CG-CG2 4.31Å; N826-I965 HydrophobicContact CB-CD1 3.64Å; F961-I965 VanDerWaalsContact O-CG1 3.26Å; F961-I965 WeakPolarHBondContact O-CG1 3.3Å; F961-I965 PolarHBondContact O-N 3.32Å; E963-I965 VanDerWaalsContact C-N 3.3Å; E963-I965 PolarHBondContact O-N 3.41Å; I965-S969 WeakPolarHBondContact O-CB 3.4Å; I965-S969 PolarHBondContact O-N 2.8Å; I965-S969 PolarHBondContact O-OG 3.28Å
966	V	95.8	Very high	94.2	Very high	89 Å²	89	65.7 Å²	65.7	54%	0.539	32%	0.316	S	S	.	.	H	α-helix	trans	-66.2	-50.5	-177.5	171.4	0	0	0	0	111.4	R962 E963 L964 S969 K970	R962-V966 WeakPolarHBondContact O-CG2 3.48Å; R962-V966 PolarHBondContact O-N 3.22Å; E963-V966 PolarHBondContact O-N 3.25Å; L964-V966 VanDerWaalsContact C-N 3.32Å; L964-V966 PolarHBondContact O-N 3.1Å; V966-S969 PolarHBondContact O-N 2.75Å; V966-K970 WeakPolarHBondContact O-CB 3.35Å; V966-K970 PolarHBondContact O-N 2.79Å
967	E	95.4	Very high	94.3	Very high	68 Å²	68	66 Å²	66	32%	0.318	31%	0.306	S	S	.	.	H	α-helix	trans	-68.8	-44.4	-177.4	-73.8	-62.2	126.2	0	0	112.4	I946 E963 S969 K970 M971	I946-E967 HydrophobicContact CD1-CB 3.81Å; E963-E967 PolarHBondContact O-N 3.5Å; E967-S969 VanDerWaalsContact C-N 3.33Å; E967-S969 PolarHBondContact O-N 3.15Å; E967-K970 WeakPolarHBondContact O-CB 3.36Å; E967-K970 PolarHBondContact O-N 2.99Å; E967-K970 VanDerWaalsContact O-N 3.16Å; E967-K970 IonicContact OE1-NZ 2.78Å; E967-K970 PolarHBondContact OE1-NZ 3.25Å; E967-K970 IonicContact OE2-NZ 3.32Å; E967-K970 PolarHBondContact OE2-NZ 2.87Å; E967-M971 WeakPolarHBondContact O-CG 3.12Å; E967-M971 PolarHBondContact O-N 3.26Å
968	F	96.1	Very high	94.2	Very high	1 Å²	1	63.8 Å²	63.8	0%	0.004	29%	0.288	C	S	.	.	H	α-helix	trans	-66.9	-32.3	174.3	-77.4	-75.6	0	0	0	112.4	L815 C818 V819 Y900 V904 V943 I946 L964 K970 M971 A972	L815-F968 HydrophobicContact CD2-CD1 4.04Å; L815-F968 HydrophobicContact CD2-CE1 4.34Å; C818-F968 HydrophobicContact CB-CB 4.48Å; C818-F968 HydrophobicContact CB-CD1 3.74Å; C818-F968 HydrophobicContact CB-CE1 4.06Å; C818-F968 HydrophobicContact CB-CG 4.02Å; V819-F968 VanDerWaalsContact CG2-C 3.41Å; V819-F968 HydrophobicContact CG2-CB 3.62Å; Y900-F968 HydrophobicContact CE1-CD2 4.43Å; Y900-F968 AromaticContact CE1-CE2 3.83Å; Y900-F968 HydrophobicContact CE1-CE2 3.83Å; Y900-F968 WeakPolarHBondContact OH-CD2 3.37Å; Y900-F968 VanDerWaalsContact OH-CE2 3.25Å; Y900-F968 WeakPolarHBondContact OH-CE2 3.28Å; V904-F968 HydrophobicContact CG1-CE1 4.31Å; V904-F968 HydrophobicContact CG1-CZ 4.03Å; V904-F968 HydrophobicContact CG2-CZ 4.29Å; V943-F968 HydrophobicContact CG1-CE1 4.33Å; I946-F968 HydrophobicContact CB-CZ 4.44Å; I946-F968 HydrophobicContact CD1-CE2 4.44Å; I946-F968 HydrophobicContact CG2-CE2 3.63Å; I946-F968 HydrophobicContact CG2-CZ 3.96Å; L964-F968 HydrophobicContact CD2-CE2 4.26Å; L964-F968 WeakPolarHBondContact O-CB 3.36Å; L964-F968 WeakPolarHBondContact O-CD2 3.4Å; L964-F968 PolarHBondContact O-N 2.79Å; F968-K970 VanDerWaalsContact C-N 3.27Å; F968-K970 PolarHBondContact O-N 3Å; F968-M971 HydrophobicContact CD1-SD 4.39Å; F968-M971 PolarHBondContact O-N 3.05Å; F968-A972 VanDerWaalsContact O-CB 3.24Å; F968-A972 WeakPolarHBondContact O-CB 3.32Å; F968-A972 PolarHBondContact O-N 2.82Å
969	S	95.8	Very high	94	Very high	33 Å²	33	63.6 Å²	63.6	23%	0.231	29%	0.287	C	S	.	.	H	α-helix	trans	-72.8	-18.3	174.1	-60.6	0	0	0	0	113.8	V819 I965 V966 E967 R973	V819-S969 WeakPolarHBondContact CG1-OG 3.3Å; I965-S969 WeakPolarHBondContact O-CB 3.4Å; I965-S969 PolarHBondContact O-N 2.8Å; I965-S969 PolarHBondContact O-OG 3.28Å; V966-S969 PolarHBondContact O-N 2.75Å; E967-S969 VanDerWaalsContact C-N 3.33Å; E967-S969 PolarHBondContact O-N 3.15Å; S969-R973 WeakPolarHBondContact O-CG 3.41Å; S969-R973 PolarHBondContact O-NE 3.07Å
970	K	94.1	Very high	93.7	Very high	97 Å²	97	67.4 Å²	67.4	42%	0.422	31%	0.31	S	S	.	.	H	α-helix	trans	-82.2	-44.8	171.7	164	-172.5	166.1	-155.6	0	110.1	V966 E967 F968 R973	V966-K970 WeakPolarHBondContact O-CB 3.35Å; V966-K970 PolarHBondContact O-N 2.79Å; E967-K970 WeakPolarHBondContact O-CB 3.36Å; E967-K970 PolarHBondContact O-N 2.99Å; E967-K970 VanDerWaalsContact O-N 3.16Å; E967-K970 IonicContact OE1-NZ 2.78Å; E967-K970 PolarHBondContact OE1-NZ 3.25Å; E967-K970 IonicContact OE2-NZ 3.32Å; E967-K970 PolarHBondContact OE2-NZ 2.87Å; F968-K970 VanDerWaalsContact C-N 3.27Å; F968-K970 PolarHBondContact O-N 3Å; K970-R973 WeakPolarHBondContact O-CB 3.04Å; K970-R973 PolarHBondContact O-N 3.01Å
971	M	94.6	Very high	93.3	Very high	4 Å²	4	63.5 Å²	63.5	2%	0.02	29%	0.294	C	S	.	.	H	α-helix	trans	-62.1	-41	173.5	-66.9	176	171.7	0	0	112.4	L815 D942 V943 I946 E967 F968 R973 D974 Y978	L815-M971 HydrophobicContact CD1-CB 4.19Å; L815-M971 HydrophobicContact CD2-CB 4.31Å; D942-M971 HydrophobicContact CB-CE 4.01Å; V943-M971 HydrophobicContact CG2-CE 4.4Å; V943-M971 HydrophobicContact CG2-SD 4.01Å; I946-M971 HydrophobicContact CD1-CE 3.47Å; I946-M971 VanDerWaalsContact CD1-CE 3.47Å; I946-M971 HydrophobicContact CD1-SD 3.95Å; I946-M971 HydrophobicContact CG1-CE 4.41Å; E967-M971 WeakPolarHBondContact O-CG 3.12Å; E967-M971 PolarHBondContact O-N 3.26Å; F968-M971 HydrophobicContact CD1-SD 4.39Å; F968-M971 PolarHBondContact O-N 3.05Å; M971-R973 PolarHBondContact O-N 3.18Å; M971-D974 CarbonylContact O-C 3.4Å; M971-D974 VanDerWaalsContact O-C 3.31Å; M971-D974 PolarHBondContact O-N 3.19Å; M971-Y978 HydrophobicContact CB-CD2 3.68Å; M971-Y978 HydrophobicContact CB-CE2 4.1Å; M971-Y978 HydrophobicContact CB-CG 3.95Å; M971-Y978 HydrophobicContact CE-CD1 3.94Å; M971-Y978 HydrophobicContact CE-CE1 4Å; M971-Y978 HydrophobicContact CG-CD1 3.84Å; M971-Y978 HydrophobicContact CG-CD2 3.75Å; M971-Y978 HydrophobicContact CG-CE1 3.97Å; M971-Y978 HydrophobicContact CG-CE2 3.9Å; M971-Y978 HydrophobicContact CG-CG 3.73Å; M971-Y978 HydrophobicContact SD-CD1 4.19Å; M971-Y978 HydrophobicContact SD-CG 4.34Å
972	A	91.1	Very high	92.2	Very high	12 Å²	12	72.4 Å²	72.4	10%	0.099	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-3.7	178.5	0	0	0	0	0	115.1	Q812 L815 V819 F968	Q812-A972 PolarHBondContact NE2-O 2.7Å; L815-A972 HydrophobicContact CB-CB 4.03Å; V819-A972 HydrophobicContact CG2-CB 4.49Å; F968-A972 VanDerWaalsContact O-CB 3.24Å; F968-A972 WeakPolarHBondContact O-CB 3.32Å; F968-A972 PolarHBondContact O-N 2.82Å
973	R	91.1	Very high	91	Very high	215 Å²	215	65.3 Å²	65.3	81%	0.811	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-19.3	171.8	-62.9	171.8	-172.5	-166.2	-1.7	113.4	S969 K970 M971	S969-R973 WeakPolarHBondContact O-CG 3.41Å; S969-R973 PolarHBondContact O-NE 3.07Å; K970-R973 WeakPolarHBondContact O-CB 3.04Å; K970-R973 PolarHBondContact O-N 3.01Å; M971-R973 PolarHBondContact O-N 3.18Å
974	D	90.3	Very high	90.2	Very high	74 Å²	74	61.5 Å²	61.5	40%	0.396	31%	0.305	S	S	.	.	S	Bend	trans	-141.9	62.8	-179.1	-177.2	15.3	0	0	0	109.7	M971 Q976 R977 Y978	M971-D974 CarbonylContact O-C 3.4Å; M971-D974 VanDerWaalsContact O-C 3.31Å; M971-D974 PolarHBondContact O-N 3.19Å; D974-Q976 VanDerWaalsContact C-N 3.35Å; D974-Q976 PolarHBondContact O-N 2.95Å; D974-R977 WeakPolarHBondContact O-CB 3.05Å; D974-R977 PolarHBondContact O-N 2.83Å; D974-R977 WeakPolarHBondContact OD2-CB 3.28Å; D974-R977 WeakPolarHBondContact OD2-CD 3.35Å; D974-Y978 VanDerWaalsContact O-CD2 3.27Å; D974-Y978 WeakPolarHBondContact O-CD2 3.48Å
975	P	89.9	Confident	88.5	Confident	16 Å²	16	68.7 Å²	68.7	10%	0.104	34%	0.338	C	S	.	.	H	α-helix	trans	-60.4	-38.4	-164.9	-28.8	39	0	0	0	115	S811 Q812 L815 R977 Y978 L979	S811-P975 WeakPolarHBondContact OG-CB 3.45Å; Q812-P975 HydrophobicContact CB-CG 4.1Å; Q812-P975 HydrophobicContact CG-CG 4.48Å; L815-P975 HydrophobicContact CD1-CB 3.88Å; L815-P975 HydrophobicContact CD1-CG 4.43Å; P975-R977 PolarHBondContact O-N 2.91Å; P975-Y978 PolarHBondContact O-N 3.04Å; P975-L979 PolarHBondContact O-N 3.31Å
976	Q	87.5	Confident	86.7	Confident	100 Å²	100	78 Å²	78	47%	0.467	37%	0.372	S	S	.	.	H	α-helix	trans	-66.9	-24.5	-174.9	-69.8	176	-8.6	0	0	113.3	D974 Y978 D984	D974-Q976 VanDerWaalsContact C-N 3.35Å; D974-Q976 PolarHBondContact O-N 2.95Å; Q976-Y978 VanDerWaalsContact C-N 3.26Å; Q976-Y978 PolarHBondContact O-N 3.46Å; Q976-D984 VanDerWaalsContact CG-OD2 3.27Å; Q976-D984 WeakPolarHBondContact CG-OD2 3.33Å; Q976-D984 PolarHBondContact NE2-OD2 3.36Å
977	R	91.6	Very high	85.4	Confident	151 Å²	151	75.4 Å²	75.4	57%	0.57	35%	0.354	S	S	*	.	H	α-helix	trans	-68.1	-26.5	171.5	177.4	177.1	176.3	160.8	3.2	112.8	T940 D974 P975	T940-R977 VanDerWaalsContact CG2-O 3.29Å; T940-R977 WeakPolarHBondContact CG2-O 3.45Å; D974-R977 WeakPolarHBondContact O-CB 3.05Å; D974-R977 PolarHBondContact O-N 2.83Å; D974-R977 WeakPolarHBondContact OD2-CB 3.28Å; D974-R977 WeakPolarHBondContact OD2-CD 3.35Å; P975-R977 PolarHBondContact O-N 2.91Å
978	Y	92.4	Very high	83.8	Confident	22 Å²	22	78.8 Å²	78.8	9%	0.086	37%	0.37	C	S	.	.	H	α-helix	trans	-108.4	-28.9	-171	-66.7	-67.9	0	0	0	113.2	T940 D942 V943 M971 D974 P975 Q976	T940-Y978 PolarHBondContact N-O 2.04Å; T940-Y978 PolarHBondContact OG1-O 2.96Å; D942-Y978 HydrophobicContact CB-CD1 3.89Å; D942-Y978 HydrophobicContact CB-CE1 3.88Å; D942-Y978 WeakPolarHBondContact OD2-CE1 3.47Å; V943-Y978 HydrophobicContact CG2-CD1 4.3Å; V943-Y978 HydrophobicContact CG2-CG 4.44Å; V943-Y978 VanDerWaalsContact CG2-O 3.31Å; V943-Y978 WeakPolarHBondContact CG2-O 3.42Å; M971-Y978 HydrophobicContact CB-CD2 3.68Å; M971-Y978 HydrophobicContact CB-CE2 4.1Å; M971-Y978 HydrophobicContact CB-CG 3.95Å; M971-Y978 HydrophobicContact CE-CD1 3.94Å; M971-Y978 HydrophobicContact CE-CE1 4Å; M971-Y978 HydrophobicContact CG-CD1 3.84Å; M971-Y978 HydrophobicContact CG-CD2 3.75Å; M971-Y978 HydrophobicContact CG-CE1 3.97Å; M971-Y978 HydrophobicContact CG-CE2 3.9Å; M971-Y978 HydrophobicContact CG-CG 3.73Å; M971-Y978 HydrophobicContact SD-CD1 4.19Å; M971-Y978 HydrophobicContact SD-CG 4.34Å; D974-Y978 VanDerWaalsContact O-CD2 3.27Å; D974-Y978 WeakPolarHBondContact O-CD2 3.48Å; P975-Y978 PolarHBondContact O-N 3.04Å; Q976-Y978 VanDerWaalsContact C-N 3.26Å; Q976-Y978 PolarHBondContact O-N 3.46Å
979	L	92.4	Very high	82.1	Confident	1 Å²	1	79.2 Å²	79.2	1%	0.005	37%	0.372	C	S	.	.	B	Isolated β-bridge	trans	-127.1	119.7	175.1	-58.2	178.3	0	0	0	111.1	L814 L815 M908 I938 C939 V943 P975	L814-L979 HydrophobicContact CB-CD1 3.94Å; L814-L979 HydrophobicContact CD1-CD1 4.05Å; L815-L979 HydrophobicContact CD1-CD1 4.25Å; L815-L979 HydrophobicContact CD1-CG 4.46Å; L815-L979 HydrophobicContact CD2-CD1 4.08Å; L815-L979 HydrophobicContact CD2-CG 4.39Å; L815-L979 HydrophobicContact CG-CD1 3.78Å; L815-L979 HydrophobicContact CG-CG 4.37Å; M908-L979 HydrophobicContact CE-CD1 3.99Å; M908-L979 HydrophobicContact CE-CD2 4.16Å; M908-L979 HydrophobicContact SD-CD1 3.69Å; M908-L979 HydrophobicContact SD-CD2 3.55Å; M908-L979 VanDerWaalsContact SD-CD2 3.55Å; M908-L979 HydrophobicContact SD-CG 4.3Å; I938-L979 HydrophobicContact CD1-CD2 4.32Å; I938-L979 HydrophobicContact CG1-CD2 4.34Å; I938-L979 CarbonylContact O-C 3.54Å; I938-L979 VanDerWaalsContact O-CA 3.25Å; I938-L979 WeakPolarHBondContact O-CA 3.37Å; C939-L979 HydrophobicContact CB-CD2 4.43Å; C939-L979 VanDerWaalsContact SG-CD2 3.59Å; V943-L979 HydrophobicContact CG2-CD2 4.32Å; P975-L979 PolarHBondContact O-N 3.31Å
980	V	89.8	Confident	79.9	Confident	97 Å²	97	81.2 Å²	81.2	59%	0.588	38%	0.384	S	S	*	.			trans	-95.7	96.6	179.2	-175.7	0	0	0	0	109.1	I938 T940	I938-V980 PolarHBondContact O-N 3.24Å; T940-V980 HydrophobicContact CG2-CG2 4.27Å
981	I	87.7	Confident	77.6	Confident	25 Å²	25	79.6 Å²	79.6	13%	0.128	39%	0.385	C	S	.	.			trans	-116.2	129.3	178.3	-58	172.9	0	0	0	109	L814 F910 I938 G983 D984 M987	L814-I981 HydrophobicContact CD1-CD1 4.05Å; F910-I981 HydrophobicContact CZ-CD1 4.38Å; I938-I981 HydrophobicContact CB-CG1 4.13Å; I938-I981 HydrophobicContact CD1-CD1 4.15Å; I938-I981 HydrophobicContact CD1-CG1 4.25Å; I938-I981 HydrophobicContact CG2-CG1 4.05Å; I981-G983 PolarHBondContact O-N 2.88Å; I981-D984 HydrophobicContact CB-CB 4.3Å; I981-D984 PolarHBondContact O-N 2.93Å; I981-M987 HydrophobicContact CG2-CE 3.8Å; I981-M987 HydrophobicContact CG2-SD 3.56Å; I981-M987 VanDerWaalsContact CG2-SD 3.56Å
982	Q	74.2	Confident	75.5	Confident	187 Å²	187	82.3 Å²	82.3	87%	0.874	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	117.1	-179.7	-66.6	-173.6	-0.6	0	0	110.6	M987	Q982-M987 WeakPolarHBondContact O-CE 3.38Å
983	G	70.9	Confident	73.3	Confident	44 Å²	44	87.1 Å²	87.1	45%	0.454	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.7	17.3	179.6	0	0	0	0	0	115.2	I981 E985 R986 M987	I981-G983 PolarHBondContact O-N 2.88Å; G983-E985 VanDerWaalsContact C-N 3.27Å; G983-E985 PolarHBondContact O-N 3.22Å; G983-E985 VanDerWaalsContact O-N 3.12Å; G983-R986 WeakPolarHBondContact O-CA 3.28Å; G983-R986 WeakPolarHBondContact O-CB 3.43Å; G983-R986 PolarHBondContact O-N 2.87Å; G983-M987 PolarHBondContact O-N 3.46Å
984	D	77.7	Confident	71	Confident	21 Å²	21	82.3 Å²	82.3	11%	0.112	42%	0.421	C	S	.	.	G	3₁₀ helix	trans	-45.1	-42.8	-177.4	-167.7	51.9	0	0	0	114.7	G810 S811 Q976 I981 R986 M987	G810-D984 WeakPolarHBondContact CA-OD1 3.31Å; S811-D984 WeakPolarHBondContact CB-OD1 3.45Å; S811-D984 PolarHBondContact N-OD1 2.84Å; S811-D984 VanDerWaalsContact OG-CG 3.27Å; S811-D984 PolarHBondContact OG-OD1 3.38Å; S811-D984 PolarHBondContact OG-OD2 3.39Å; Q976-D984 VanDerWaalsContact CG-OD2 3.27Å; Q976-D984 WeakPolarHBondContact CG-OD2 3.33Å; Q976-D984 PolarHBondContact NE2-OD2 3.36Å; I981-D984 HydrophobicContact CB-CB 4.3Å; I981-D984 PolarHBondContact O-N 2.93Å; D984-R986 PolarHBondContact O-N 2.73Å; D984-R986 VanDerWaalsContact O-N 3.07Å; D984-M987 PolarHBondContact O-N 3.4Å; D984-M987 VanDerWaalsContact O-N 3.07Å
985	E	63.6	Low	68.6	Low	154 Å²	154	80.8 Å²	80.8	72%	0.72	42%	0.417	S	S	*	.	G	3₁₀ helix	trans	-61.5	-16.9	177.5	-61.9	-169	137.2	0	0	114.7	G983 H988	G983-E985 VanDerWaalsContact C-N 3.27Å; G983-E985 PolarHBondContact O-N 3.22Å; G983-E985 VanDerWaalsContact O-N 3.12Å; E985-H988 PolarHBondContact O-CE1 2.87Å
986	R	59.1	Low	66.4	Low	227 Å²	227	85.7 Å²	85.7	86%	0.857	44%	0.442	S	S	*	.	G	3₁₀ helix	trans	-105.4	-5.9	179.6	-55.6	-179.2	-173.9	173	2.1	112.6	G983 D984 H988	G983-R986 WeakPolarHBondContact O-CA 3.28Å; G983-R986 WeakPolarHBondContact O-CB 3.43Å; G983-R986 PolarHBondContact O-N 2.87Å; D984-R986 PolarHBondContact O-N 2.73Å; D984-R986 VanDerWaalsContact O-N 3.07Å; R986-H988 PolarHBondContact O-N 3.34Å
987	M	68.3	Low	64.2	Low	35 Å²	35	84.8 Å²	84.8	17%	0.172	44%	0.437	C	S	.	.			trans	-85.9	99.6	179.7	-70.5	-176.3	176.7	0	0	110.2	I981 Q982 G983 D984	I981-M987 HydrophobicContact CG2-CE 3.8Å; I981-M987 HydrophobicContact CG2-SD 3.56Å; I981-M987 VanDerWaalsContact CG2-SD 3.56Å; Q982-M987 WeakPolarHBondContact O-CE 3.38Å; G983-M987 PolarHBondContact O-N 3.46Å; D984-M987 PolarHBondContact O-N 3.4Å; D984-M987 VanDerWaalsContact O-N 3.07Å
988	H	61.4	Low	61.9	Low	139 Å²	139	80.9 Å²	80.9	64%	0.644	42%	0.423	S	S	*	.			trans	-126.8	115.8	177.8	-65.5	-6	0	0	0	109.9	E985 R986	E985-H988 PolarHBondContact O-CE1 2.87Å; R986-H988 PolarHBondContact O-N 3.34Å
989	L	59.9	Low	59.8	Low	10 Å²	10	88.1 Å²	88.1	5%	0.052	45%	0.45	C	S	.	.	P	Polyproline II helix	trans	-61.4	132	168.7	-65.9	171.2	0	0	0	109.2	Y801 H805 N808 I809 Y813 W817 P848	Y801-L989 HydrophobicContact CE1-CD1 4.33Å; H805-L989 HydrophobicContact CB-CD2 4.09Å; N808-L989 HydrophobicContact CB-CD2 3.99Å; I809-L989 HydrophobicContact CG1-CD1 4.23Å; I809-L989 HydrophobicContact CG1-CD2 3.95Å; I809-L989 HydrophobicContact CG1-CG 4.45Å; Y813-L989 HydrophobicContact CD1-CD1 3.83Å; Y813-L989 HydrophobicContact CD2-CD1 4.12Å; Y813-L989 HydrophobicContact CE1-CD1 3.9Å; Y813-L989 HydrophobicContact CE2-CB 4.47Å; Y813-L989 HydrophobicContact CE2-CD1 4.19Å; Y813-L989 HydrophobicContact CE2-CG 4.34Å; Y813-L989 HydrophobicContact CG-CD1 3.95Å; W817-L989 HydrophobicContact CH2-CD1 4.36Å; W817-L989 HydrophobicContact CZ2-CD1 4.26Å; P848-L989 HydrophobicContact CB-CB 4.28Å; P848-L989 HydrophobicContact CB-CD1 3.89Å
990	P	50.9	Low	57.5	Low	75 Å²	75	91.9 Å²	91.9	49%	0.487	48%	0.481	S	S	.	.	P	Polyproline II helix	trans	-64.1	154.2	-173.6	24.9	-34.1	0	0	0	112.3
991	S	45.9	Very low	55.4	Low	62 Å²	62	90.7 Å²	90.7	43%	0.434	47%	0.471	S	S	.	.	P	Polyproline II helix	trans	-56.3	143	176.2	-179.7	0	0	0	0	111.1	T993 D994	S991-T993 VanDerWaalsContact CB-OG1 3.31Å; S991-T993 WeakPolarHBondContact CB-OG1 3.48Å; S991-T993 PolarHBondContact O-N 3.34Å; S991-T993 PolarHBondContact OG-OG1 3.03Å; S991-D994 PolarHBondContact O-N 3.31Å; S991-D994 VanDerWaalsContact O-N 3.11Å
992	P	49.5	Very low	53.4	Low	61 Å²	61	95.4 Å²	95.4	40%	0.396	49%	0.494	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-15.5	175.1	-26.7	35.3	0	0	0	114.9
993	T	45.5	Very low	51.8	Low	113 Å²	113	92.4 Å²	92.4	69%	0.693	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-24.9	177.6	41.2	0	0	0	0	115.3	S991	S991-T993 VanDerWaalsContact CB-OG1 3.31Å; S991-T993 WeakPolarHBondContact CB-OG1 3.48Å; S991-T993 PolarHBondContact O-N 3.34Å; S991-T993 PolarHBondContact OG-OG1 3.03Å
994	D	41.4	Very low	50.5	Low	114 Å²	114	97.6 Å²	97.6	61%	0.61	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.4	-4.6	-159.6	-65.4	-78.4	0	0	0	115.1	S991 N996	S991-D994 PolarHBondContact O-N 3.31Å; S991-D994 VanDerWaalsContact O-N 3.11Å; D994-N996 PolarHBondContact O-N 3.39Å
995	S	41.3	Very low	48.9	Very low	43 Å²	43	106.6 Å²	106.6	30%	0.301	54%	0.538	S	S	.	.			trans	-80.7	112.1	-179.4	-168.8	0	0	0	0	112.3	F997 Y998	S995-F997 PolarHBondContact O-N 2.84Å; S995-F997 VanDerWaalsContact OG-CB 3.23Å; S995-F997 WeakPolarHBondContact OG-CB 3.46Å; S995-Y998 PolarHBondContact O-N 2.82Å
996	N	42.7	Very low	47.9	Very low	118 Å²	118	105 Å²	105	63%	0.631	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-20.5	172.6	-72.1	-50.9	0	0	0	113.4	D994 Y998 R999 A1000	D994-N996 PolarHBondContact O-N 3.39Å; N996-Y998 PolarHBondContact O-N 2.97Å; N996-R999 PolarHBondContact O-N 3.37Å; N996-R999 VanDerWaalsContact O-N 3.1Å; N996-A1000 PolarHBondContact O-N 3.34Å
997	F	42	Very low	47.2	Very low	82 Å²	82	97.4 Å²	97.4	36%	0.36	51%	0.509	S	S	.	.	H	α-helix	trans	-51.6	-37.6	170.5	-170.1	-104.7	0	0	0	112.9	S995 R999 A1000 L1001	S995-F997 PolarHBondContact O-N 2.84Å; S995-F997 VanDerWaalsContact OG-CB 3.23Å; S995-F997 WeakPolarHBondContact OG-CB 3.46Å; F997-R999 VanDerWaalsContact C-N 3.33Å; F997-R999 PolarHBondContact O-N 2.79Å; F997-A1000 PolarHBondContact O-N 3.31Å; F997-L1001 HydrophobicContact CD1-CD1 3.83Å; F997-L1001 HydrophobicContact CE1-CD1 3.33Å; F997-L1001 HydrophobicContact CE2-CD1 4.29Å; F997-L1001 HydrophobicContact CG-CD1 4.49Å; F997-L1001 HydrophobicContact CZ-CD1 3.61Å; F997-L1001 PolarHBondContact O-N 2.97Å; F997-L1001 VanDerWaalsContact O-N 3.12Å
998	Y	44	Very low	46.1	Very low	69 Å²	69	104.3 Å²	104.3	27%	0.271	55%	0.547	S	S	.	.	H	α-helix	trans	-67.1	-28.5	178.9	-86.8	-69.1	0	0	0	113.8	P794 F795 S995 N996 M1002	P794-Y998 HydrophobicContact CB-CE1 4.2Å; F795-Y998 HydrophobicContact CE1-CE2 4.37Å; F795-Y998 HydrophobicContact CE2-CE2 4.48Å; F795-Y998 AromaticContact CE2-CZ 3.95Å; F795-Y998 WeakPolarHBondContact CE2-OH 3.37Å; F795-Y998 AromaticContact CZ-CE2 3.74Å; F795-Y998 HydrophobicContact CZ-CE2 3.74Å; F795-Y998 AromaticContact CZ-CZ 3.64Å; F795-Y998 WeakPolarHBondContact CZ-OH 3.35Å; S995-Y998 PolarHBondContact O-N 2.82Å; N996-Y998 PolarHBondContact O-N 2.97Å; Y998-M1002 VanDerWaalsContact O-CG 3.25Å; Y998-M1002 WeakPolarHBondContact O-CG 3.38Å
999	R	46.7	Very low	45.3	Very low	173 Å²	173	101.6 Å²	101.6	65%	0.653	54%	0.537	S	S	*	.	H	α-helix	trans	-74.5	-51.2	171.4	-73.5	-174.5	172.9	115.7	0.3	110.5	N996 F997 L1001 M1002 D1003	N996-R999 PolarHBondContact O-N 3.37Å; N996-R999 VanDerWaalsContact O-N 3.1Å; F997-R999 VanDerWaalsContact C-N 3.33Å; F997-R999 PolarHBondContact O-N 2.79Å; R999-L1001 PolarHBondContact O-N 3.4Å; R999-M1002 CarbonylContact O-C 3.15Å; R999-M1002 PolarHBondContact O-N 2.71Å; R999-D1003 PolarHBondContact O-N 2.86Å
1000	A	44	Very low	44.7	Very low	81 Å²	81	103.8 Å²	103.8	67%	0.669	55%	0.551	S	S	*	*	H	α-helix	trans	-59.4	-19.9	-178.4	0	0	0	0	0	115	N996 F997	N996-A1000 PolarHBondContact O-N 3.34Å; F997-A1000 PolarHBondContact O-N 3.31Å
1001	L	46.3	Very low	44.5	Very low	72 Å²	72	102.4 Å²	102.4	38%	0.377	54%	0.541	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-4.1	174.4	-103.3	160.9	0	0	0	115.1	K728 F997 R999	K728-L1001 PolarHBondContact NZ-O 2.77Å; F997-L1001 HydrophobicContact CD1-CD1 3.83Å; F997-L1001 HydrophobicContact CE1-CD1 3.33Å; F997-L1001 HydrophobicContact CE2-CD1 4.29Å; F997-L1001 HydrophobicContact CG-CD1 4.49Å; F997-L1001 HydrophobicContact CZ-CD1 3.61Å; F997-L1001 PolarHBondContact O-N 2.97Å; F997-L1001 VanDerWaalsContact O-N 3.12Å; R999-L1001 PolarHBondContact O-N 3.4Å
1002	M	45.3	Very low	44.6	Very low	123 Å²	123	102.6 Å²	102.6	61%	0.606	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.5	-12.8	-176.1	-60.4	-61	-165.4	0	0	114.1	Y998 R999 E1004	Y998-M1002 VanDerWaalsContact O-CG 3.25Å; Y998-M1002 WeakPolarHBondContact O-CG 3.38Å; R999-M1002 CarbonylContact O-C 3.15Å; R999-M1002 PolarHBondContact O-N 2.71Å; M1002-E1004 PolarHBondContact O-N 2.9Å
1003	D	41.5	Very low	44.4	Very low	125 Å²	125	99.7 Å²	99.7	67%	0.668	52%	0.518	S	S	*	.			trans	-70.6	60.4	177.9	-73.4	-33.7	0	0	0	113.6	R999	R999-D1003 PolarHBondContact O-N 2.86Å
1004	E	43.7	Very low	44.1	Very low	152 Å²	152	95.1 Å²	95.1	71%	0.71	49%	0.489	S	S	*	.	S	Bend	trans	-131.1	133.4	157.6	-77	-168	-158	0	0	110.4	M1002 D1006	M1002-E1004 PolarHBondContact O-N 2.9Å; E1004-D1006 VanDerWaalsContact C-N 3.31Å; E1004-D1006 PolarHBondContact O-N 2.61Å
1005	E	43.9	Very low	44.3	Very low	211 Å²	211	94.3 Å²	94.3	99%	0.986	48%	0.482	S	S	*	.	S	Bend	trans	-76.5	19.9	-141.5	-53.8	178.3	118.8	0	0	118
1006	D	42	Very low	44.2	Very low	121 Å²	121	92.8 Å²	92.8	65%	0.647	47%	0.47	S	S	*	.	S	Bend	trans	-130.9	28.2	-163.5	-166.5	18.8	0	0	0	114.5	K739 E1004	K739-D1006 PolarHBondContact NZ-O 2.91Å; E1004-D1006 VanDerWaalsContact C-N 3.31Å; E1004-D1006 PolarHBondContact O-N 2.61Å
1007	M	46	Very low	44.1	Very low	67 Å²	67	90.2 Å²	90.2	33%	0.33	46%	0.456	S	S	.	.			trans	-138.4	22.7	-156.7	-75.6	-67.6	-84.4	0	0	118.4	L730 K739 D1009 V1010	L730-M1007 HydrophobicContact CD1-CE 3.66Å; L730-M1007 HydrophobicContact CD1-SD 3.57Å; L730-M1007 VanDerWaalsContact CD1-SD 3.57Å; L730-M1007 HydrophobicContact CD2-CE 3.48Å; L730-M1007 VanDerWaalsContact CD2-CE 3.48Å; L730-M1007 HydrophobicContact CD2-SD 4.4Å; L730-M1007 HydrophobicContact CG-CE 4.1Å; K739-M1007 HydrophobicContact CD-SD 3.88Å; M1007-D1009 PolarHBondContact O-N 2.99Å; M1007-V1010 HydrophobicContact CB-CG2 4.26Å; M1007-V1010 HydrophobicContact CE-CB 4.44Å; M1007-V1010 HydrophobicContact CE-CG1 4.24Å; M1007-V1010 HydrophobicContact CE-CG2 3.36Å; M1007-V1010 WeakPolarHBondContact O-CG2 3.29Å; M1007-V1010 HydrophobicContact SD-CG2 3.64Å
1008	D	43.5	Very low	43.8	Very low	179 Å²	179	90.1 Å²	90.1	96%	0.957	46%	0.458	S	S	*	.	S	Bend	trans	-64.5	-1.5	178.7	-81.8	-27.8	0	0	0	117.1
1009	D	45.8	Very low	43.1	Very low	82 Å²	82	92.7 Å²	92.7	44%	0.439	48%	0.483	S	S	.	.	S	Bend	trans	-134.8	45.2	-160.9	-148.6	9.4	0	0	0	112.3	R675 M1007	R675-D1009 IonicContact CZ-OD1 3.84Å; R675-D1009 IonicContact CZ-OD2 2.68Å; R675-D1009 IonicContact NH1-OD1 2.7Å; R675-D1009 PolarHBondContact NH1-OD1 3.33Å; R675-D1009 IonicContact NH1-OD2 3.54Å; R675-D1009 PolarHBondContact NH1-OD2 3.46Å; R675-D1009 IonicContact NH2-OD1 3.94Å; R675-D1009 PolarHBondContact NH2-OD1 3.25Å; R675-D1009 IonicContact NH2-OD2 2.69Å; R675-D1009 PolarHBondContact NH2-OD2 3.03Å; M1007-D1009 PolarHBondContact O-N 2.99Å
1010	V	47.5	Very low	42.2	Very low	56 Å²	56	89.9 Å²	89.9	34%	0.339	48%	0.477	S	S	.	.	B	Isolated β-bridge	trans	-120.5	144.3	-166.7	-177.3	0	0	0	0	111.4	K739 P741 M1007	K739-V1010 HydrophobicContact CB-CG2 4.11Å; K739-V1010 HydrophobicContact CD-CG2 4.19Å; P741-V1010 HydrophobicContact CG-CG1 4.3Å; M1007-V1010 HydrophobicContact CB-CG2 4.26Å; M1007-V1010 HydrophobicContact CE-CB 4.44Å; M1007-V1010 HydrophobicContact CE-CG1 4.24Å; M1007-V1010 HydrophobicContact CE-CG2 3.36Å; M1007-V1010 WeakPolarHBondContact O-CG2 3.29Å; M1007-V1010 HydrophobicContact SD-CG2 3.64Å
1011	V	46.9	Very low	41.6	Very low	47 Å²	47	94.9 Å²	94.9	29%	0.285	49%	0.487	S	S	.	.			trans	-128.6	138.4	-174.8	-174.7	0	0	0	0	110.9	V738 K739 P741	V738-V1011 HydrophobicContact CG1-CG2 4.15Å; K739-V1011 PolarHBondContact O-N 3.33Å; P741-V1011 WeakPolarHBondContact CD-O 3.17Å
1012	D	47.4	Very low	40.7	Very low	65 Å²	65	94.5 Å²	94.5	35%	0.348	50%	0.5	S	S	.	.			trans	-60.9	135.7	175.4	178.6	21	0	0	0	111.1	Q791 K846 D1014 E1015 Y1016	Q791-D1012 PolarHBondContact NE2-OD1 3.35Å; K846-D1012 IonicContact NZ-OD2 3.94Å; D1012-D1014 VanDerWaalsContact C-N 3.35Å; D1012-D1014 PolarHBondContact O-N 3.35Å; D1012-D1014 PolarHBondContact OD1-N 2.68Å; D1012-E1015 HydrophobicContact CB-CB 4.3Å; D1012-E1015 PolarHBondContact O-N 3.38Å; D1012-Y1016 PolarHBondContact O-N 2.58Å; D1012-Y1016 VanDerWaalsContact O-N 3.17Å
1013	A	44.1	Very low	39.9	Very low	0 Å²	0	97.6 Å²	97.6	0%	0	51%	0.511	C	S	.	.	H	α-helix	trans	-64.2	-36.6	178.1	0	0	0	0	0	112	I740 Q791 E1015 Y1016 L1017	I740-A1013 HydrophobicContact CG2-CB 3.63Å; Q791-A1013 HydrophobicContact CB-CB 4.03Å; Q791-A1013 HydrophobicContact CG-CB 3.88Å; A1013-E1015 VanDerWaalsContact C-N 3.31Å; A1013-E1015 PolarHBondContact O-N 3.43Å; A1013-Y1016 CarbonylContact O-C 3.54Å; A1013-Y1016 WeakPolarHBondContact O-CA 3.06Å; A1013-Y1016 WeakPolarHBondContact O-CB 3.26Å; A1013-Y1016 PolarHBondContact O-N 3.16Å; A1013-L1017 HydrophobicContact CB-CD1 3.89Å; A1013-L1017 VanDerWaalsContact O-CB 3.23Å; A1013-L1017 WeakPolarHBondContact O-CB 3.38Å; A1013-L1017 VanDerWaalsContact O-CD1 3.24Å; A1013-L1017 WeakPolarHBondContact O-CD1 3.33Å; A1013-L1017 WeakPolarHBondContact O-CG 3.49Å; A1013-L1017 PolarHBondContact O-N 3.14Å
1014	D	41	Very low	39.3	Very low	17 Å²	17	100.8 Å²	100.8	9%	0.091	52%	0.519	C	S	.	.	H	α-helix	trans	-65.6	-34.5	175.3	-98	-22.8	0	0	0	111.5	Q791 K846 K852 D1012 Y1016 L1017 I1018	Q791-D1014 VanDerWaalsContact NE2-CG 3.28Å; Q791-D1014 PolarHBondContact NE2-OD2 3.24Å; Q791-D1014 PolarHBondContact OE1-OD1 3.46Å; Q791-D1014 PolarHBondContact OE1-OD2 3.01Å; K846-D1014 WeakPolarHBondContact CD-OD2 3.38Å; K846-D1014 VanDerWaalsContact CE-OD2 3.31Å; K846-D1014 WeakPolarHBondContact CE-OD2 3.48Å; K846-D1014 IonicContact NZ-OD2 3.11Å; K846-D1014 PolarHBondContact NZ-OD2 2.75Å; K852-D1014 IonicContact NZ-OD1 3.82Å; K852-D1014 PolarHBondContact NZ-OD1 2.68Å; K852-D1014 IonicContact NZ-OD2 2.95Å; K852-D1014 PolarHBondContact NZ-OD2 3.12Å; D1012-D1014 VanDerWaalsContact C-N 3.35Å; D1012-D1014 PolarHBondContact O-N 3.35Å; D1012-D1014 PolarHBondContact OD1-N 2.68Å; D1014-Y1016 PolarHBondContact O-N 3.33Å; D1014-L1017 PolarHBondContact O-N 3.3Å; D1014-I1018 HydrophobicContact CB-CD1 3.99Å; D1014-I1018 VanDerWaalsContact O-CB 3.29Å; D1014-I1018 WeakPolarHBondContact O-CB 3.3Å; D1014-I1018 WeakPolarHBondContact O-CD1 3.28Å; D1014-I1018 WeakPolarHBondContact O-CG1 3.34Å; D1014-I1018 PolarHBondContact O-N 2.84Å
1015	E	44.4	Very low	38.3	Very low	98 Å²	98	99.6 Å²	99.6	46%	0.458	53%	0.527	S	S	.	.	H	α-helix	trans	-64.8	-29.2	173	-158.3	-163.3	160.2	0	0	111.8	D1012 A1013 Q1020	D1012-E1015 HydrophobicContact CB-CB 4.3Å; D1012-E1015 PolarHBondContact O-N 3.38Å; A1013-E1015 VanDerWaalsContact C-N 3.31Å; A1013-E1015 PolarHBondContact O-N 3.43Å; E1015-Q1020 PolarHBondContact OE1-NE2 2.79Å
1016	Y	39.7	Very low	37.6	Very low	11 Å²	11	94 Å²	94	4%	0.043	51%	0.511	C	S	.	.	H	α-helix	trans	-83	-34.7	179.2	-160.5	-77.9	0	0	0	113.3	L679 L682 L683 V738 I740 D1012 A1013 D1014	L679-Y1016 HydrophobicContact CD1-CD2 4.33Å; L679-Y1016 HydrophobicContact CD1-CE2 3.49Å; L679-Y1016 VanDerWaalsContact CD1-CE2 3.49Å; L679-Y1016 HydrophobicContact CD2-CD2 4.09Å; L679-Y1016 HydrophobicContact CD2-CE2 3.97Å; L679-Y1016 HydrophobicContact CG-CD2 4.08Å; L679-Y1016 HydrophobicContact CG-CE2 3.45Å; L679-Y1016 VanDerWaalsContact CG-CE2 3.45Å; L682-Y1016 WeakPolarHBondContact CD1-OH 3.34Å; L683-Y1016 HydrophobicContact CD1-CD1 3.97Å; L683-Y1016 HydrophobicContact CD1-CE1 3.78Å; L683-Y1016 WeakPolarHBondContact CD1-O 3.45Å; L683-Y1016 HydrophobicContact CD2-CD1 4.05Å; L683-Y1016 HydrophobicContact CD2-CE1 3.8Å; L683-Y1016 HydrophobicContact CG-CD1 4.28Å; L683-Y1016 HydrophobicContact CG-CE1 3.76Å; V738-Y1016 HydrophobicContact CG1-CE2 4.18Å; I740-Y1016 HydrophobicContact CD1-CD1 3.99Å; I740-Y1016 HydrophobicContact CD1-CD2 3.65Å; I740-Y1016 HydrophobicContact CD1-CE1 3.92Å; I740-Y1016 HydrophobicContact CD1-CE2 3.55Å; I740-Y1016 HydrophobicContact CD1-CG 3.88Å; I740-Y1016 HydrophobicContact CG1-CD2 4.12Å; I740-Y1016 HydrophobicContact CG1-CE2 4.24Å; D1012-Y1016 PolarHBondContact O-N 2.58Å; D1012-Y1016 VanDerWaalsContact O-N 3.17Å; A1013-Y1016 CarbonylContact O-C 3.54Å; A1013-Y1016 WeakPolarHBondContact O-CA 3.06Å; A1013-Y1016 WeakPolarHBondContact O-CB 3.26Å; A1013-Y1016 PolarHBondContact O-N 3.16Å; D1014-Y1016 PolarHBondContact O-N 3.33Å
1017	L	40	Very low	37	Very low	63 Å²	63	93.9 Å²	93.9	33%	0.33	52%	0.517	S	S	.	.	H	α-helix	trans	-98.1	-27.9	-168.8	-66.6	162	0	0	0	113.7	L778 A1013 D1014 P1019	L778-L1017 HydrophobicContact CD1-CD1 3.84Å; L778-L1017 HydrophobicContact CD2-CD1 3.26Å; L778-L1017 HydrophobicContact CD2-CD2 3.96Å; L778-L1017 HydrophobicContact CD2-CG 4.25Å; L778-L1017 HydrophobicContact CG-CD1 4.17Å; A1013-L1017 HydrophobicContact CB-CD1 3.89Å; A1013-L1017 VanDerWaalsContact O-CB 3.23Å; A1013-L1017 WeakPolarHBondContact O-CB 3.38Å; A1013-L1017 VanDerWaalsContact O-CD1 3.24Å; A1013-L1017 WeakPolarHBondContact O-CD1 3.33Å; A1013-L1017 WeakPolarHBondContact O-CG 3.49Å; A1013-L1017 PolarHBondContact O-N 3.14Å; D1014-L1017 PolarHBondContact O-N 3.3Å; L1017-P1019 WeakPolarHBondContact O-CD 3.16Å
1018	I	35.8	Very low	36.1	Very low	81 Å²	81	96.4 Å²	96.4	42%	0.415	54%	0.541	S	S	.	.	S	Bend	trans	-75	124.4	173.5	-62.9	169.4	0	0	0	108	D1014 Q1020	D1014-I1018 HydrophobicContact CB-CD1 3.99Å; D1014-I1018 VanDerWaalsContact O-CB 3.29Å; D1014-I1018 WeakPolarHBondContact O-CB 3.3Å; D1014-I1018 WeakPolarHBondContact O-CD1 3.28Å; D1014-I1018 WeakPolarHBondContact O-CG1 3.34Å; D1014-I1018 PolarHBondContact O-N 2.84Å; I1018-Q1020 VanDerWaalsContact C-N 3.33Å; I1018-Q1020 PolarHBondContact O-N 3.26Å
1019	P	29.1	Very low	35.3	Very low	122 Å²	122	94 Å²	94	79%	0.792	53%	0.533	S	S	*	.			trans	-65.4	96.6	166.4	-11.5	26.8	0	0	0	107.4	L1017 Q1021	L1017-P1019 WeakPolarHBondContact O-CD 3.16Å; P1019-Q1021 PolarHBondContact O-N 3.39Å
1020	Q	28.7	Very low	34.2	Very low	114 Å²	114	95.7 Å²	95.7	53%	0.533	55%	0.551	S	S	.	*			trans	-50.3	100.3	-160.5	-78.5	-170.4	-21.4	0	0	113.8	E1015 I1018 G1022	E1015-Q1020 PolarHBondContact OE1-NE2 2.79Å; I1018-Q1020 VanDerWaalsContact C-N 3.33Å; I1018-Q1020 PolarHBondContact O-N 3.26Å; Q1020-G1022 PolarHBondContact O-N 2.92Å
1021	Q	31.8	Very low	33.3	Very low	187 Å²	187	104.6 Å²	104.6	87%	0.874	58%	0.579	S	S	*	*			trans	-62.2	119.8	146.5	-73.7	-177.3	-27.2	0	0	107.1	P1019	P1019-Q1021 PolarHBondContact O-N 3.39Å
1022	G	27.1	Very low	32.4	Very low	63 Å²	63	108.6 Å²	108.6	65%	0.649	60%	0.604	S	S	*	*			trans	-155.3	149.9	174.3	0	0	0	0	0	109.5	Q1020	Q1020-G1022 PolarHBondContact O-N 2.92Å
1023	F	28.4	Very low	31.4	Very low	189 Å²	189	111.2 Å²	111.2	83%	0.829	62%	0.624	S	S	*	*			cis	-163.2	121.2	-4.2	-150	-88.9	0	0	0	107.1
1024	F	27.7	Very low	30.5	Very low	192 Å²	192	118.8 Å²	118.8	84%	0.842	66%	0.664	S	S	*	*			trans	-175.2	101	152.3	-95.1	-55.8	0	0	0	110.9
1025	S	23.6	Very low	29.8	Very low	127 Å²	127	125.2 Å²	125.2	89%	0.888	70%	0.697	S	S	*	*			trans	-103.3	121.6	148.2	-59.1	0	0	0	0	106.3
1026	S	29.5	Very low	28.9	Very low	92 Å²	92	126.7 Å²	126.7	64%	0.643	72%	0.719	S	S	*	*			trans	-117.4	154.5	177.9	-80.7	0	0	0	0	110.1
1027	P	29	Very low	28.3	Very low	119 Å²	119	131.5 Å²	131.5	77%	0.773	75%	0.754	S	S	*	*			trans	-75.7	137	-150.3	27.1	-35.9	0	0	0	114.9	T1029	P1027-T1029 PolarHBondContact O-N 2.79Å
1028	S	26.2	Very low	27.6	Very low	120 Å²	120	137.1 Å²	137.1	84%	0.839	78%	0.783	S	S	*	*			trans	-90.5	82.8	177.4	57.5	0	0	0	0	112.5
1029	T	26.5	Very low	27.2	Very low	129 Å²	129	138.9 Å²	138.9	79%	0.791	80%	0.803	S	S	*	*			trans	-135.9	92.6	164.3	51.9	0	0	0	0	112.4	P1027	P1027-T1029 PolarHBondContact O-N 2.79Å
1030	S	24.4	Very low	27	Very low	117 Å²	117	138 Å²	138	82%	0.818	81%	0.806	S	S	*	*			trans	-141	41	158	61.9	0	0	0	0	112.6
1031	R	28.6	Very low	26.9	Very low	243 Å²	243	139 Å²	139	92%	0.917	82%	0.821	S	S	*	*			trans	-80.3	107.1	144.1	-82.1	-174.1	173.1	-180	-1.7	106.7
1032	T	27.3	Very low	26.5	Very low	132 Å²	132	135.6 Å²	135.6	81%	0.81	82%	0.817	S	S	*	*			trans	-74.3	132.6	168.2	34.9	0	0	0	0	109.8
1033	P	27.5	Very low	26.4	Very low	119 Å²	119	139.9 Å²	139.9	77%	0.773	83%	0.825	S	S	*	*			trans	-79.7	151.4	174.7	33.3	-34.3	0	0	0	111.1
1034	L	24.9	Very low	26.3	Very low	160 Å²	160	138 Å²	138	84%	0.838	82%	0.824	S	S	*	*			trans	-130.8	126.1	159.1	-79.7	175.5	0	0	0	110.2
1035	L	26.2	Very low	26.2	Very low	151 Å²	151	133.5 Å²	133.5	79%	0.791	82%	0.816	S	S	*	*			trans	18.6	120.6	168.9	-66.3	78.2	0	0	0	119.6
1036	S	24.8	Very low	26.5	Very low	129 Å²	129	133.9 Å²	133.9	90%	0.902	81%	0.813	S	S	*	*				-151.7	86.4	129.4	-69.6	0	0	0	0	110.4
1037	S	26.4	Very low	26.3	Very low	113 Å²	113	136.5 Å²	136.5	79%	0.79	83%	0.825	S	S	*	*			trans	-157.9	109.9	161.1	54	0	0	0	0	111.7
1038	L	26.7	Very low	26.1	Very low	180 Å²	180	134.9 Å²	134.9	94%	0.942	82%	0.822	S	S	*	*			trans	-134.6	146.9	153.1	-86.5	178.1	0	0	0	107.7
1039	S	27.5	Very low	25.9	Very low	118 Å²	118	134.8 Å²	134.8	83%	0.825	82%	0.819	S	S	*	*			trans	-101	147.7	-152.2	-47	0	0	0	0	113.7
1040	A	24.5	Very low	25.9	Very low	105 Å²	105	136.5 Å²	136.5	87%	0.868	82%	0.822	S	S	*	*			trans	-133.1	124.2	162.8	0	0	0	0	0	110.3
1041	T	25.9	Very low	26.2	Very low	135 Å²	135	137.8 Å²	137.8	83%	0.828	82%	0.82	S	S	*	*			trans	-87.5	136	-171.3	48.7	0	0	0	0	114.1
1042	S	24.2	Very low	26	Very low	114 Å²	114	137.7 Å²	137.7	80%	0.797	82%	0.82	S	S	*	*			trans	170	129.8	135.2	38.2	0	0	0	0	109.1
1043	N	25.6	Very low	26	Very low	153 Å²	153	139.2 Å²	139.2	82%	0.818	82%	0.823	S	S	*	*				75.7	115.4	60	-85.2	3.8	0	0	0	115.9
1044	N	26.3	Very low	25.9	Very low	151 Å²	151	137.2 Å²	137.2	81%	0.807	82%	0.823	S	S	*	*			trans	82.4	137.3	149.6	-81.3	-0.7	0	0	0	123.6
1045	S	25.6	Very low	26	Very low	96 Å²	96	137.4 Å²	137.4	67%	0.671	82%	0.824	S	S	*	*			trans	64.6	97.2	146.6	50.5	0	0	0	0	121
1046	T	28.5	Very low	25.9	Very low	136 Å²	136	138.4 Å²	138.4	83%	0.834	83%	0.825	S	S	*	*				25.3	111	114.6	57.9	0	0	0	0	119.1
1047	V	26.1	Very low	25.9	Very low	147 Å²	147	137.1 Å²	137.1	89%	0.891	82%	0.816	S	S	*	*			trans	-139.3	147.2	142.7	179.2	0	0	0	0	107.9
1048	A	24.8	Very low	25.7	Very low	85 Å²	85	137.8 Å²	137.8	70%	0.702	82%	0.819	S	S	*	*			trans	-97.2	165.2	180	0	0	0	0	0	113.1
1049	C	22.6	Very low	26.4	Very low	117 Å²	117	134.8 Å²	134.8	79%	0.791	81%	0.811	S	S	*	*			trans	-3.2	142.7	160.4	-47.6	0	0	0	0	119.4
1050	I	25.4	Very low	26.3	Very low	165 Å²	165	136.7 Å²	136.7	85%	0.846	81%	0.81	S	S	*	*				-173.9	144.3	114.7	-96.3	154.8	0	0	0	111.6
1051	D	30.3	Very low	26.5	Very low	145 Å²	145	139.3 Å²	139.3	78%	0.775	80%	0.802	S	S	*	*			trans	-92.1	144.7	176.7	-142.4	-22.5	0	0	0	111.1
1052	R	25.4	Very low	26.6	Very low	241 Å²	241	138.9 Å²	138.9	91%	0.909	79%	0.79	S	S	*	*			trans	-164.3	141.9	159.8	-120.7	167.9	-175.6	-176	-0.4	117
1053	N	27.4	Very low	26.6	Very low	164 Å²	164	140.2 Å²	140.2	88%	0.877	79%	0.789	S	S	*	*			trans	-89.7	160.8	-176.9	-65.2	-62.3	0	0	0	114.5
1054	G	25.7	Very low	26.7	Very low	76 Å²	76	136.5 Å²	136.5	78%	0.784	77%	0.774	S	S	*	*			trans	120.2	101.4	163.4	0	0	0	0	0	113.3
1055	L	25.3	Very low	26.7	Very low	164 Å²	164	138.4 Å²	138.4	86%	0.859	78%	0.776	S	S	*	*			cis	87.6	101.6	39.2	-168.4	121.6	0	0	0	114.5
1056	Q	25.8	Very low	26.6	Very low	172 Å²	172	139.9 Å²	139.9	80%	0.804	78%	0.776	S	S	*	*			trans	-160.3	132.7	157.7	-157.7	72.9	39.7	0	0	113.1
1057	S	25	Very low	26.6	Very low	103 Å²	103	139.9 Å²	139.9	72%	0.72	77%	0.766	S	S	*	*			trans	53.5	118.2	156	56.7	0	0	0	0	123.8
1058	C	21.3	Very low	26.6	Very low	127 Å²	127	141.6 Å²	141.6	86%	0.858	76%	0.757	S	S	*	*			trans	-94.9	-156.6	148.7	-40.3	0	0	0	0	109
1059	P	42	Very low	26.6	Very low	117 Å²	117	147.9 Å²	147.9	76%	0.76	76%	0.764	S	S	*	*			cis	-141.6	-146	11.8	45.1	-22.5	0	0	0	115.2
1060	I	23.9	Very low	26.6	Very low	157 Å²	157	147.2 Å²	147.2	81%	0.805	76%	0.761	S	S	*	*			trans	92.6	105.9	-176.3	-58	170.7	0	0	0	111
1061	K	28.3	Very low	26.7	Very low	160 Å²	160	145 Å²	145	70%	0.696	76%	0.759	S	S	*	*			cis	70.1	143.3	30.8	-110.2	-165	162.7	-156.4	0	113.5
1062	E	28.2	Very low	26.4	Very low	127 Å²	127	145.3 Å²	145.3	59%	0.593	76%	0.761	S	S	*	*			cis	-131.7	179.6	10.1	-121.7	129.8	176.4	0	0	109.2
1063	D	25.4	Very low	27	Very low	142 Å²	142	138.3 Å²	138.3	76%	0.759	75%	0.747	S	S	*	*			cis	-144.9	147.8	28.2	-101.6	-42.9	0	0	0	109.8
1064	S	28.2	Very low	27	Very low	74 Å²	74	137.2 Å²	137.2	52%	0.517	75%	0.746	S	S	.	*				91.3	138.4	53.8	-59.9	0	0	0	0	113.5
1065	F	24.6	Very low	26.9	Very low	191 Å²	191	137.1 Å²	137.1	84%	0.838	75%	0.745	S	S	*	*			cis	-151.9	171.1	-7	-138.7	-93.1	0	0	0	112.3
1066	L	25.3	Very low	26.9	Very low	128 Å²	128	133.7 Å²	133.7	67%	0.67	74%	0.741	S	S	*	*			trans	-85.1	158.4	-170.4	-80.9	154.9	0	0	0	117.3
1067	Q	27.4	Very low	26.9	Very low	136 Å²	136	133.2 Å²	133.2	64%	0.636	74%	0.743	S	S	*	*			trans	69.5	165.9	143.8	-76.1	172.7	8.9	0	0	118.2
1068	R	26.4	Very low	26.9	Very low	183 Å²	183	133.2 Å²	133.2	69%	0.691	74%	0.738	S	S	*	*			cis	-156.2	154.1	1.6	-140.9	176.2	-77.3	171.6	-4.4	109.9
1069	Y	24.6	Very low	27.1	Very low	216 Å²	216	135.7 Å²	135.7	85%	0.847	74%	0.738	S	S	*	*				171	177.2	120.5	-104	-75.8	0	0	0	112.9
1070	S	22.8	Very low	26.4	Very low	104 Å²	104	137.1 Å²	137.1	73%	0.727	74%	0.739	S	S	*	*			trans	-149.6	173.7	-172.1	-171.3	0	0	0	0	110.5
1071	S	26.8	Very low	26.5	Very low	117 Å²	117	135 Å²	135	82%	0.818	74%	0.737	S	S	*	*			trans	98.7	126.2	164	-48.7	0	0	0	0	119.2
1072	D	23.8	Very low	26.5	Very low	152 Å²	152	135.1 Å²	135.1	81%	0.813	74%	0.744	S	S	*	*			trans	-78.5	-172	155.7	-148.8	31.8	0	0	0	109
1073	P	39.7	Very low	26.5	Very low	94 Å²	94	136.8 Å²	136.8	61%	0.61	76%	0.757	S	S	*	*			cis	-142.5	-171.8	5.4	43.7	-23.3	0	0	0	117.9
1074	T	26.9	Very low	26.5	Very low	142 Å²	142	136.3 Å²	136.3	87%	0.871	76%	0.755	S	S	*	*			trans	67.4	142.8	166.7	25.4	0	0	0	0	117.6
1075	G	23.8	Very low	26.4	Very low	74 Å²	74	137.6 Å²	137.6	76%	0.763	76%	0.76	S	S	*	*			cis	143.7	156.1	1.7	0	0	0	0	0	110.4
1076	A	24.1	Very low	26.5	Very low	92 Å²	92	136.9 Å²	136.9	76%	0.76	76%	0.756	S	S	*	*			cis	-167.7	-169.4	-7.6	0	0	0	0	0	109.6
1077	L	25.4	Very low	26.5	Very low	162 Å²	162	137.2 Å²	137.2	85%	0.848	76%	0.758	S	S	*	*			trans	76.1	143.1	175.7	-48	178.3	0	0	0	116.4
1078	T	25.6	Very low	26.6	Very low	102 Å²	102	136.9 Å²	136.9	63%	0.626	77%	0.768	S	S	*	*			cis	-159.2	147.5	-5.1	9.6	0	0	0	0	111.5
1079	E	26.2	Very low	26.7	Very low	180 Å²	180	133.8 Å²	133.8	84%	0.841	77%	0.769	S	S	*	*			trans	62.2	144.8	155	-68.6	162.2	162.8	0	0	117.8
1080	D	26.5	Very low	27.4	Very low	147 Å²	147	128.3 Å²	128.3	79%	0.786	76%	0.76	S	S	*	*			cis	-148.9	151.1	36	-155.3	-7.5	0	0	0	115.1
1081	S	25.8	Very low	27.6	Very low	111 Å²	111	131.9 Å²	131.9	78%	0.776	77%	0.765	S	S	*	*			trans	65.6	148.3	168.9	74.7	0	0	0	0	121.4
1082	I	29.7	Very low	27.6	Very low	164 Å²	164	137.1 Å²	137.1	84%	0.841	77%	0.769	S	S	*	*			trans	-146.4	139.4	-171.9	-64.3	158.5	0	0	0	108.4
1083	D	26.8	Very low	27.7	Very low	161 Å²	161	137.7 Å²	137.7	86%	0.861	77%	0.77	S	S	*	*			trans	-162.1	165.9	131.1	-138.2	-23.7	0	0	0	112.2
1084	D	26.9	Very low	27.1	Very low	133 Å²	133	140.2 Å²	140.2	71%	0.711	78%	0.778	S	S	*	*			trans	-116	-179.1	-154.9	-143.2	-35	0	0	0	114.7
1085	T	25.9	Very low	27.1	Very low	101 Å²	101	142.1 Å²	142.1	62%	0.62	78%	0.777	S	S	*	*			trans	81.3	130.3	153.3	40.8	0	0	0	0	124.6
1086	F	25.2	Very low	27.2	Very low	175 Å²	175	143 Å²	143	77%	0.768	77%	0.772	S	S	*	*				104.7	119.9	129.4	-82.7	-44.7	0	0	0	124
1087	L	27	Very low	27.2	Very low	135 Å²	135	145.2 Å²	145.2	71%	0.707	78%	0.776	S	S	*	*			trans	73.4	150.4	145.2	-60.2	174.6	0	0	0	120.6
1088	P	29.3	Very low	27.7	Very low	130 Å²	130	143 Å²	143	84%	0.844	77%	0.771	S	S	*	*				-140.8	104.5	120.6	36.1	-22.1	0	0	0	115.3
1089	V	26.9	Very low	27.7	Very low	117 Å²	117	148.2 Å²	148.2	71%	0.709	79%	0.785	S	S	*	*			trans	-150.9	137.8	152.1	-159.5	0	0	0	0	102.9
1090	P	40.3	Very low	27.8	Very low	102 Å²	102	151 Å²	151	66%	0.662	79%	0.788	S	S	*	*			cis	-149.1	-174.1	45.8	44	-22.6	0	0	0	118.8
1091	E	27.6	Very low	28.7	Very low	178 Å²	178	149.3 Å²	149.3	83%	0.832	79%	0.785	S	S	*	*			trans	-16.5	148.5	158.1	-52.4	173.2	124.5	0	0	118.9
1092	Y	26.6	Very low	28.8	Very low	227 Å²	227	149.1 Å²	149.1	89%	0.89	79%	0.79	S	S	*	*			trans	-143.1	130.3	154.5	-103.8	-80.5	0	0	0	112.9
1093	I	26.1	Very low	28.6	Very low	165 Å²	165	144.5 Å²	144.5	85%	0.846	78%	0.783	S	S	*	*			trans	-92.1	143	154.1	-73.1	177	0	0	0	107.7
1094	N	26.6	Very low	28.6	Very low	146 Å²	146	142.4 Å²	142.4	78%	0.781	78%	0.781	S	S	*	*			trans	-76.9	157.5	-177.4	-97.2	-39.1	0	0	0	114
1095	Q	26.4	Very low	28.6	Very low	182 Å²	182	141.5 Å²	141.5	85%	0.85	78%	0.78	S	S	*	*			trans	109.8	133.5	158.4	-61.6	176.6	5.5	0	0	116.5
1096	S	25.5	Very low	28.5	Very low	94 Å²	94	144.8 Å²	144.8	66%	0.657	79%	0.788	S	S	*	*			cis	-177	135.1	-26.8	42.7	0	0	0	0	110.7
1097	V	24.5	Very low	28.4	Very low	138 Å²	138	143.6 Å²	143.6	84%	0.836	79%	0.79	S	S	*	*			trans	67.9	139.9	136.7	170	0	0	0	0	119.4
1098	P	35.8	Very low	29.1	Very low	115 Å²	115	142.1 Å²	142.1	75%	0.747	79%	0.788	S	S	*	*			cis	-135	-179.3	-39.3	41	-23.3	0	0	0	112.9
1099	K	26.4	Very low	28.8	Very low	211 Å²	211	141.9 Å²	141.9	92%	0.917	78%	0.784	S	S	*	*			trans	-159.3	141.2	154.9	-119.4	177.9	-173.3	-179.2	0	113.4
1100	R	27.7	Very low	28.7	Very low	239 Å²	239	146 Å²	146	90%	0.902	79%	0.788	S	S	*	*			trans	-162	158.5	170.2	-89.8	-161.8	178.1	-170.8	0.4	109.3
1101	P	45.9	Very low	28	Very low	111 Å²	111	148.1 Å²	148.1	72%	0.721	79%	0.789	S	S	*	*			cis	-143.1	166.7	-32.5	39.4	-22.8	0	0	0	116.2
1102	A	28.3	Very low	27.9	Very low	108 Å²	108	146.1 Å²	146.1	89%	0.893	78%	0.784	S	S	*	*			trans	73.6	152.6	145.1	0	0	0	0	0	122.6
1103	G	25.6	Very low	27.8	Very low	66 Å²	66	144.1 Å²	144.1	68%	0.68	78%	0.783	S	S	*	*			trans	98.2	96.9	-175.6	0	0	0	0	0	112.2
1104	S	27.2	Very low	28.5	Very low	117 Å²	117	141.5 Å²	141.5	82%	0.818	78%	0.776	S	S	*	*			cis	69.1	131	39.1	94.8	0	0	0	0	112.9
1105	V	26.1	Very low	28.4	Very low	114 Å²	114	142.3 Å²	142.3	69%	0.691	78%	0.78	S	S	*	*			cis	-148	162.6	16.5	-157	0	0	0	0	111.8
1106	Q	24.6	Very low	28.4	Very low	170 Å²	170	140.7 Å²	140.7	79%	0.794	78%	0.777	S	S	*	*			trans	71.1	110.5	152.2	-87.5	143.9	-8	0	0	123.1
1107	N	21.8	Very low	29.4	Very low	151 Å²	151	141.5 Å²	141.5	81%	0.807	78%	0.78	S	S	*	*				33.6	155.4	115.6	-84.4	9.5	0	0	0	123.1
1108	P	41.8	Very low	29.4	Very low	104 Å²	104	139.1 Å²	139.1	68%	0.675	78%	0.775	S	S	*	*			cis	-142.3	-176.6	-14.1	40.4	-20.9	0	0	0	116.6
1109	V	23.1	Very low	30.1	Very low	125 Å²	125	139.2 Å²	139.2	76%	0.758	78%	0.776	S	S	*	*			trans	78.1	116.6	148.2	157	0	0	0	0	121.2
1110	Y	24.3	Very low	30.1	Very low	202 Å²	202	135.1 Å²	135.1	79%	0.792	77%	0.773	S	S	*	*			trans	61.3	125	148.7	-83.9	-101.2	0	0	0	125
1111	H	25.8	Very low	30.3	Very low	148 Å²	148	134.6 Å²	134.6	69%	0.685	77%	0.771	S	S	*	*			trans	55.8	120	149.2	-82.8	-40	0	0	0	124.2
1112	N	26.9	Very low	29.6	Very low	135 Å²	135	136.1 Å²	136.1	72%	0.722	77%	0.773	S	S	*	*			trans	61.9	114.2	132.3	-59.2	9.1	0	0	0	121
1113	Q	23.7	Very low	30.5	Very low	186 Å²	186	135.7 Å²	135.7	87%	0.869	76%	0.762	S	S	*	*			trans	9.2	142.3	132.6	-82.1	-174.7	-4.3	0	0	119
1114	P	40.6	Very low	30.7	Very low	109 Å²	109	140.4 Å²	140.4	71%	0.708	77%	0.766	S	S	*	*				-152.6	169.1	58	41.6	-22	0	0	0	120.5
1115	L	24.5	Very low	30.8	Very low	164 Å²	164	144.4 Å²	144.4	86%	0.859	76%	0.764	S	S	*	*			trans	69.9	128.3	147.5	-102.3	71.7	0	0	0	123.9
1116	N	26.8	Very low	31	Very low	147 Å²	147	146.1 Å²	146.1	79%	0.786	77%	0.765	S	S	*	*			trans	-50.4	169.7	150	-86.8	-23.5	0	0	0	113.5
1117	P	47.1	Very low	30.9	Very low	112 Å²	112	143.7 Å²	143.7	73%	0.727	76%	0.757	S	S	*	*			cis	-153.7	162.1	34.5	42.8	-21.8	0	0	0	121.6
1118	A	23.3	Very low	32	Very low	87 Å²	87	141.4 Å²	141.4	72%	0.719	75%	0.751	S	S	*	*			trans	66.2	175.1	137	0	0	0	0	0	120.7
1119	P	51.3	Low	31.5	Very low	118 Å²	118	144.7 Å²	144.7	77%	0.766	76%	0.756	S	S	*	*			cis	-136.6	-168.9	-48.3	38	-21.4	0	0	0	114.9
1120	S	26.1	Very low	32	Very low	124 Å²	124	143.3 Å²	143.3	87%	0.867	75%	0.752	S	S	*	*			trans	106	178.3	154.7	80.5	0	0	0	0	119.6
1121	R	30.8	Very low	32.2	Very low	228 Å²	228	140.2 Å²	140.2	86%	0.86	76%	0.755	S	S	*	*			trans	-126.4	149.8	-144.2	-77	-179.4	167.8	170.9	-7.9	116.6
1122	D	32.2	Very low	32.6	Very low	143 Å²	143	137.3 Å²	137.3	77%	0.765	76%	0.756	S	S	*	*			trans	61.7	170.6	147.2	-78.6	-56.6	0	0	0	118.9
1123	P	46.3	Very low	32.7	Very low	99 Å²	99	138 Å²	138	64%	0.643	77%	0.765	S	S	*	*			cis	-137.8	-173.3	-0.6	43.5	-25.9	0	0	0	117.8
1124	H	30.3	Very low	32.8	Very low	166 Å²	166	132.5 Å²	132.5	77%	0.769	76%	0.758	S	S	*	*			trans	69.2	111.7	144.6	-77.2	-62.3	0	0	0	126.1
1125	Y	29.5	Very low	32.3	Very low	201 Å²	201	135 Å²	135	79%	0.788	77%	0.766	S	S	*	*				54.4	127.1	113.3	-103.7	-95.9	0	0	0	125.5
1126	Q	30.1	Very low	33.8	Very low	150 Å²	150	131.6 Å²	131.6	70%	0.701	75%	0.753	S	S	*	*				125.5	121	117.1	-159.1	150.7	10.2	0	0	122.6
1127	D	22.9	Very low	33.8	Very low	118 Å²	118	132.5 Å²	132.5	63%	0.631	75%	0.753	S	S	*	*			trans	57.3	174.5	150.1	-81.5	-51	0	0	0	122.5
1128	P	44.7	Very low	33	Very low	104 Å²	104	136.3 Å²	136.3	68%	0.675	75%	0.754	S	S	*	*			cis	-134.8	166.6	-3.9	24.7	0	0	0	0	119
1129	H	32.2	Very low	33.4	Very low	172 Å²	172	138.9 Å²	138.9	80%	0.796	76%	0.755	S	S	*	*			trans	34.4	160.3	137.9	-64.5	-42	0	0	0	125.4
1130	S	32.7	Very low	32.3	Very low	96 Å²	96	139.2 Å²	139.2	67%	0.671	75%	0.75	S	S	*	*			cis	-177.8	-175.5	-17.1	-175	0	0	0	0	111.9
1131	T	27.7	Very low	32.5	Very low	138 Å²	138	138.7 Å²	138.7	85%	0.847	74%	0.742	S	S	*	*			trans	91.4	153.8	170.1	71.1	0	0	0	0	119
1132	A	34.2	Very low	32.4	Very low	86 Å²	86	133.5 Å²	133.5	71%	0.711	74%	0.736	S	S	*	*			cis	-176.4	155.5	-35.7	0	0	0	0	0	106.9
1133	V	30	Very low	32.2	Very low	151 Å²	151	135.2 Å²	135.2	92%	0.915	74%	0.739	S	S	*	*				-170.4	145.3	61.3	164.9	0	0	0	0	109.4
1134	G	25.8	Very low	32.5	Very low	70 Å²	70	135.6 Å²	135.6	72%	0.722	74%	0.741	S	S	*	*			trans	160.7	132.2	166.9	0	0	0	0	0	113.2
1135	N	30.8	Very low	32.4	Very low	162 Å²	162	133.7 Å²	133.7	87%	0.866	74%	0.741	S	S	*	*			trans	-150.4	177.9	-164.9	-126	3	0	0	0	110.5
1136	P	54.7	Low	32.3	Very low	92 Å²	92	129.3 Å²	129.3	60%	0.597	74%	0.739	S	S	*	*			cis	-139.4	-176.1	-9.2	30.2	-5.6	0	0	0	116.1
1137	E	26.8	Very low	32.2	Very low	165 Å²	165	128 Å²	128	77%	0.771	74%	0.741	S	S	*	*				140.7	99.8	129.7	-63	-141.5	132.5	0	0	119.9
1138	Y	30.2	Very low	32.3	Very low	193 Å²	193	129.4 Å²	129.4	76%	0.757	75%	0.749	S	S	*	*			trans	56.7	106.8	134.1	-73.7	-85.8	0	0	0	127.2
1139	L	32.4	Very low	31.4	Very low	141 Å²	141	130.3 Å²	130.3	74%	0.738	76%	0.757	S	S	*	*			trans	59.2	152.8	133.9	-59.4	-178.6	0	0	0	121.3
1140	N	28.8	Very low	31.2	Very low	125 Å²	125	127.9 Å²	127.9	67%	0.668	76%	0.755	S	S	*	*			cis	-160.4	-168.3	6.8	-125.6	-19.3	0	0	0	108.6
1141	T	29.7	Very low	30.9	Very low	113 Å²	113	132.2 Å²	132.2	69%	0.693	76%	0.762	S	S	*	*			cis	-170.6	170	-3.8	17.3	0	0	0	0	108
1142	V	27.8	Very low	30.9	Very low	119 Å²	119	131.4 Å²	131.4	72%	0.721	75%	0.752	S	S	*	*			cis	-170.5	152.5	-46.4	86.7	0	0	0	0	112.4
1143	Q	28.4	Very low	30.6	Very low	179 Å²	179	132.3 Å²	132.3	84%	0.836	75%	0.754	S	S	*	*			trans	78.7	155.2	158.1	-73.7	-169.8	-26.1	0	0	125.1
1144	P	52.6	Low	30.8	Very low	106 Å²	106	131 Å²	131	69%	0.688	75%	0.748	S	S	*	*			trans	-145.5	-145.1	-148.4	41.9	-16.6	0	0	0	117.6
1145	T	29.3	Very low	30.7	Very low	126 Å²	126	131.6 Å²	131.6	77%	0.773	75%	0.746	S	S	*	*			trans	88.8	155.6	164.7	73.5	0	0	0	0	119.8
1146	C	25.9	Very low	30.6	Very low	110 Å²	110	132.5 Å²	132.5	74%	0.743	74%	0.744	S	S	*	*			cis	-170.7	153.4	-20.1	-103.8	0	0	0	0	115.8
1147	V	28.1	Very low	29.7	Very low	123 Å²	123	140.2 Å²	140.2	75%	0.745	76%	0.762	S	S	*	*			trans	77.5	123.1	135.7	171.2	0	0	0	0	126.1
1148	N	25.9	Very low	29.7	Very low	147 Å²	147	136.4 Å²	136.4	79%	0.786	76%	0.759	S	S	*	*			trans	43.3	132.9	144.6	-59.4	0	0	0	0	127.1
1149	S	26.1	Very low	29.8	Very low	122 Å²	122	134.1 Å²	134.1	85%	0.853	76%	0.755	S	S	*	*				178.3	-178.1	105.4	46.4	0	0	0	0	113.4
1150	T	27.2	Very low	29.5	Very low	121 Å²	121	136.4 Å²	136.4	74%	0.742	76%	0.759	S	S	*	*			trans	-136.6	151	-154.5	52.8	0	0	0	0	116
1151	F	27.6	Very low	29.3	Very low	187 Å²	187	133.6 Å²	133.6	82%	0.82	76%	0.76	S	S	*	*				-177.9	146.8	119.1	-113.8	-81.3	0	0	0	115.7
1152	D	25.9	Very low	29	Very low	122 Å²	122	133.5 Å²	133.5	65%	0.652	76%	0.764	S	S	*	*			trans	56.2	123.1	153.4	-108.2	-49.5	0	0	0	126.7
1153	S	28.2	Very low	28.9	Very low	105 Å²	105	136.3 Å²	136.3	73%	0.734	77%	0.768	S	S	*	*			trans	72.1	152.8	137.2	-78.7	0	0	0	0	121.7
1154	P	33.8	Very low	28.6	Very low	124 Å²	124	135.6 Å²	135.6	81%	0.805	77%	0.765	S	S	*	*				-121.2	-174.7	-123.6	43.2	-35.7	0	0	0	117.3
1155	A	24.2	Very low	27.2	Very low	81 Å²	81	137.9 Å²	137.9	67%	0.669	77%	0.77	S	S	*	*			trans	86.3	59.5	174.7	0	0	0	0	0	118
1156	H	28.3	Very low	27	Very low	181 Å²	181	136.3 Å²	136.3	84%	0.838	76%	0.764	S	S	*	*			trans	37.4	100	141.7	-60.6	-73.1	0	0	0	120.7
1157	W	35.7	Very low	27	Very low	254 Å²	254	138 Å²	138	96%	0.962	77%	0.765	S	S	*	*			trans	-161.4	170.1	142	-91.6	-48.2	0	0	0	111.3
1158	A	28.6	Very low	26.9	Very low	85 Å²	85	138.8 Å²	138.8	70%	0.702	77%	0.765	S	S	*	*			trans	78.4	155.9	158.8	0	0	0	0	0	117.5
1159	Q	30.9	Very low	27.1	Very low	146 Å²	146	138.2 Å²	138.2	68%	0.682	76%	0.762	S	S	*	*			cis	-168.8	163.9	-14.1	-119.5	175.5	28.5	0	0	114
1160	K	26.6	Very low	27.9	Very low	189 Å²	189	136.9 Å²	136.9	82%	0.822	75%	0.75	S	S	*	*			trans	73.1	152.7	144.5	-77.6	166.1	176.9	148.6	0	121.8
1161	G	23.7	Very low	28	Very low	66 Å²	66	137.5 Å²	137.5	68%	0.68	75%	0.749	S	S	*	*			trans	121.4	88.6	176.6	0	0	0	0	0	111.3
1162	S	23.4	Very low	28	Very low	111 Å²	111	138.5 Å²	138.5	78%	0.776	75%	0.749	S	S	*	*				91	98.5	65.2	69	0	0	0	0	115
1163	H	26.5	Very low	28	Very low	177 Å²	177	141.7 Å²	141.7	82%	0.819	76%	0.76	S	S	*	*			trans	49.9	146.9	144.4	-74.9	-75.1	0	0	0	124.2
1164	Q	22.8	Very low	28.1	Very low	164 Å²	164	144.2 Å²	144.2	77%	0.766	76%	0.76	S	S	*	*			trans	77.8	129	158.4	-72.9	172.3	-58.8	0	0	116.5
1165	I	23.1	Very low	27.9	Very low	154 Å²	154	143.4 Å²	143.4	79%	0.79	75%	0.749	S	S	*	*				71.7	129	60.4	-69.6	175.4	0	0	0	110.5
1166	S	24.3	Very low	28.1	Very low	94 Å²	94	147.3 Å²	147.3	66%	0.657	75%	0.751	S	S	*	*			cis	-172.5	-173.5	-9.2	-175.7	0	0	0	0	108.4
1167	L	25.6	Very low	28.2	Very low	145 Å²	145	148.2 Å²	148.2	76%	0.759	75%	0.753	S	S	*	*			trans	79	148.3	165.3	-53.3	172.4	0	0	0	116
1168	D	26.3	Very low	28	Very low	139 Å²	139	141.7 Å²	141.7	74%	0.743	74%	0.744	S	S	*	*			cis	-144.7	174.6	3.3	-133.4	-35.8	0	0	0	115.5
1169	N	29.3	Very low	27.9	Very low	135 Å²	135	146.2 Å²	146.2	72%	0.722	75%	0.747	S	S	*	*			trans	-92.6	-153	-173.6	-141.1	18.4	0	0	0	110.7
1170	P	44.8	Very low	27.7	Very low	94 Å²	94	147.6 Å²	147.6	61%	0.61	75%	0.754	S	S	*	*			cis	-128.2	-169.7	-6	46.3	-28.9	0	0	0	113.1
1171	D	29.4	Very low	27.6	Very low	134 Å²	134	143.6 Å²	143.6	72%	0.717	76%	0.756	S	S	*	*	S	Bend	cis	-129.8	171.7	3.6	-76.5	-69.9	0	0	0	109
1172	Y	25.7	Very low	28.2	Very low	208 Å²	208	150.1 Å²	150.1	82%	0.816	77%	0.766	S	S	*	*			cis	-152.7	126.5	22	-146	-78.6	0	0	0	109.7
1173	Q	27.1	Very low	29.3	Very low	190 Å²	190	149.9 Å²	149.9	89%	0.888	76%	0.761	S	S	*	*			trans	-157.2	116.2	171.1	-172.7	-177.6	35.5	0	0	111.7
1174	Q	29.1	Very low	29.2	Very low	157 Å²	157	149.2 Å²	149.2	73%	0.734	76%	0.764	S	S	*	*			trans	-162.2	151.5	172.8	-78.7	-149.3	-75	0	0	108.2
1175	D	30.6	Very low	29.4	Very low	108 Å²	108	144.5 Å²	144.5	58%	0.578	76%	0.76	S	S	*	*			cis	-163.4	-175.1	-19.3	-121.9	-43	0	0	0	106.4
1176	F	28.1	Very low	29.5	Very low	162 Å²	162	144.6 Å²	144.6	71%	0.711	76%	0.76	S	S	*	*			cis	-155.2	156	5.5	-131.2	-41.7	0	0	0	109.2
1177	F	31.5	Very low	29.4	Very low	201 Å²	201	148.2 Å²	148.2	88%	0.882	76%	0.764	S	S	*	*			trans	-137.4	119.4	155.1	-97.6	-70.4	0	0	0	110.6
1178	P	31.1	Very low	29.3	Very low	117 Å²	117	150 Å²	150	76%	0.76	77%	0.766	S	S	*	*			trans	-91	173.6	173.6	35.3	-33.4	0	0	0	113.3
1179	K	26.1	Very low	29.2	Very low	180 Å²	180	146.4 Å²	146.4	78%	0.783	76%	0.761	S	S	*	*			trans	-101.4	162.7	-164.8	-63.6	-178.9	177.3	-177.6	0	115.7
1180	E	27.4	Very low	29	Very low	175 Å²	175	145.5 Å²	145.5	82%	0.818	77%	0.766	S	S	*	*			trans	55.2	112.5	142.4	-76.2	166.4	-140.7	0	0	121.1
1181	A	24	Very low	28	Very low	105 Å²	105	147.5 Å²	147.5	87%	0.868	78%	0.776	S	S	*	*			trans	-155.9	144.6	135.2	0	0	0	0	0	112.5
1182	K	36.8	Very low	28	Very low	203 Å²	203	145.5 Å²	145.5	88%	0.883	78%	0.778	S	S	*	*			trans	-126.3	144.4	155.2	-86.2	-174.3	177.6	179.4	0	105.3
1183	P	45.5	Very low	28	Very low	106 Å²	106	144.9 Å²	144.9	69%	0.688	78%	0.783	S	S	*	*				-159.9	-171.6	74.5	42.6	-21	0	0	0	117.7
1184	N	24.6	Very low	28.1	Very low	162 Å²	162	143.3 Å²	143.3	87%	0.866	78%	0.781	S	S	*	*			trans	77.4	147	153.7	-61.7	-18	0	0	0	122.2
1185	G	26.2	Very low	28.3	Very low	66 Å²	66	140.7 Å²	140.7	68%	0.68	79%	0.786	S	S	*	*			trans	102.2	107.3	171.3	0	0	0	0	0	114.7
1186	I	25.3	Very low	28.2	Very low	155 Å²	155	142.5 Å²	142.5	80%	0.795	79%	0.791	S	S	*	*			cis	71.3	118.5	22.1	-57.2	178.4	0	0	0	112.2
1187	F	23.7	Very low	28.2	Very low	171 Å²	171	142 Å²	142	75%	0.75	79%	0.786	S	S	*	*			cis	-156.3	-165.7	0.4	-142.1	-124.3	0	0	0	112.3
1188	K	22.5	Very low	27.9	Very low	182 Å²	182	138.4 Å²	138.4	79%	0.791	78%	0.775	S	S	*	*			trans	-53.4	160.4	162.7	-46.8	167.4	-172.3	177.5	0	111.4
1189	G	23.9	Very low	27.6	Very low	63 Å²	63	141.4 Å²	141.4	65%	0.649	77%	0.771	S	S	*	*			cis	138.4	152	-0.8	0	0	0	0	0	112.9
1190	S	25.8	Very low	27.6	Very low	117 Å²	117	138.5 Å²	138.5	82%	0.818	77%	0.768	S	S	*	*			trans	73.3	157.9	168.9	72.4	0	0	0	0	120.7
1191	T	24.2	Very low	27.4	Very low	135 Å²	135	134.3 Å²	134.3	83%	0.828	76%	0.763	S	S	*	*			trans	64	113.1	180	60	0	0	0	0	116.2
1192	A	29.1	Very low	28.4	Very low	92 Å²	92	134.7 Å²	134.7	76%	0.76	76%	0.757	S	S	*	*			cis	83	128.8	23.2	0	0	0	0	0	116.5
1193	E	25.9	Very low	27.9	Very low	195 Å²	195	133.5 Å²	133.5	91%	0.911	75%	0.754	S	S	*	*			trans	-158	159.8	142.7	-122	171.1	-161.5	0	0	111.2
1194	N	29.7	Very low	27.1	Very low	158 Å²	158	133.1 Å²	133.1	85%	0.845	75%	0.754	S	S	*	*			trans	-138	151.5	-172.7	-60.4	-75.6	0	0	0	111.4
1195	A	31.8	Very low	27.4	Very low	102 Å²	102	130.1 Å²	130.1	84%	0.843	75%	0.746	S	S	*	*			trans	-178.2	146.9	151	0	0	0	0	0	110.5
1196	E	30	Very low	27.8	Very low	146 Å²	146	134.8 Å²	134.8	68%	0.682	75%	0.75	S	S	*	*			cis	-137	-136	-32.1	-148	-148.2	116.9	0	0	106.4	L1198	E1196-L1198 PolarHBondContact OE1-N 2.84Å
1197	Y	26.8	Very low	28.2	Very low	152 Å²	152	135 Å²	135	60%	0.596	75%	0.745	S	S	*	*			cis	-154.2	144.5	2.8	-146.3	-27	0	0	0	109.9
1198	L	24.6	Very low	29.3	Very low	124 Å²	124	134.5 Å²	134.5	65%	0.649	75%	0.749	S	S	*	*			trans	83.8	140.6	160.3	-52.6	172.4	0	0	0	117.6	E1196	E1196-L1198 PolarHBondContact OE1-N 2.84Å
1199	R	24.6	Very low	30.3	Very low	181 Å²	181	129.3 Å²	129.3	68%	0.683	75%	0.747	S	S	*	*			cis	165.3	143.7	-25.3	-110	-176.8	-161.8	141.8	2.4	106.6
1200	V	27.8	Very low	31.2	Very low	119 Å²	119	134.8 Å²	134.8	72%	0.721	79%	0.786	S	S	*	*			cis	-147.7	133.7	-1.4	168.5	0	0	0	0	104.8
1201	A	23.4	Very low	31.4	Very low	87 Å²	87	135.7 Å²	135.7	72%	0.719	79%	0.785	S	S	*	*				63	162.1	76.5	0	0	0	0	0	116.4
1202	P	43.9	Very low	31.8	Very low	113 Å²	113	135.7 Å²	135.7	73%	0.734	78%	0.782	S	S	*	*			cis	-140.1	-163.2	-20.6	38.1	-17	0	0	0	115
1203	Q	26.4	Very low	32	Very low	178 Å²	178	138.2 Å²	138.2	83%	0.832	78%	0.784	S	S	*	*			trans	92.6	119.1	170.9	-64.6	-164.5	-17.3	0	0	116.5
1204	S	27.9	Very low	32.3	Very low	98 Å²	98	134.8 Å²	134.8	69%	0.685	78%	0.776	S	S	*	*			cis	84.5	134.7	48.9	74.7	0	0	0	0	113.5
1205	S	32.1	Very low	32.5	Very low	99 Å²	99	133.4 Å²	133.4	69%	0.692	77%	0.772	S	S	*	*			cis	-171.3	168.7	1.8	39.7	0	0	0	0	113.1
1206	E	34.8	Very low	32.5	Very low	164 Å²	164	135.5 Å²	135.5	77%	0.766	77%	0.767	S	S	*	*			trans	86	148.2	142.9	-93.9	-176.2	169.3	0	0	125.5
1207	F	33	Very low	32.7	Very low	159 Å²	159	134.7 Å²	134.7	70%	0.697	77%	0.773	S	S	*	*			trans	62	82.5	156.6	-84.1	-75.7	0	0	0	124.7
1208	I	46.8	Very low	33.2	Very low	161 Å²	161	133.4 Å²	133.4	83%	0.826	79%	0.787	S	S	*	*				24.8	123.2	116.4	-52.7	175.4	0	0	0	118.5
1209	G	42.8	Very low	33.9	Very low	72 Å²	72	134.2 Å²	134.2	74%	0.742	80%	0.798	S	S	*	*			trans	124	137.9	166.2	0	0	0	0	0	111.9
1210	A	43.2	Very low	34.7	Very low	179 Å²	179	129.9 Å²	129.9	100%	1.479	81%	0.809	S	S	*	*			cis	-153.6	0	-9.9	0	0	0	0	0	109.4

Retrieved 1,210 of 1,210 residues in 6287.5 ms (Link to these results)

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