A0A077ZJZ6_TRITR Loading...

Vacuolar sorting protein SNF7 family protein

AlphaFold DB , UniProt , Accession A0A077ZJZ6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,183 aa.

						>A0A077ZJZ6_TRITR|A0A077ZJZ6
MNNNPLEAVTQAVNSLVTALKLPDESAKANEVLGEMSFPQFSRLLPYRDYNQESGLFMNDTTMGFMLEAIPINGANKSIVEALDHMLRTKLPRGIPLCIHLMSSQLVGDRIEYGLREFSWSGEQAERFNAITRAYYMKAAATQFPLPEGMNLPLTLRHYRVFFSYCSPSKKKSRADILEMENLVKIIRASLQGASIATQTVDAQAFIDIVGEMINHNPDSLYPKRRQLDPYSDLNYQCVEDSFDLKVRADYLTLGLRENGRNSTARILNFHLARNPEIAFLWNMADNYSNLLNPELSISCPFILTLTLVVEDQVKTHSEANLKYMDLEKKSKTSYAKWFPSVEKEAKEWGELRQRLGSGQSSVVSYFLNITAFCNDNNETALEVEQDILNSFRKNGFELISPRFNHMRNFLTCLPFMAGKGLFKQLKEAGVVQRAESFNVANLMPLVADNPLTPAGLLAPTYRNQLAFIDIFFRGMNNTNYNMAVCGTSGAGKTGLIQPLIRSVLDSGGFAVVFDMGDGYKSLCENMGGVYLDGETLRFNPFANITDIDQSAERVRDQLSVMASPNGNLDEVHEGLLLQAVRASWLAKKNRARIDDVVDFLKNARDNDQYVESPTIRSRLDEMIVLLDQYTAGGTYGRYFNSDEPSLRDDAKMVVLELGGLEDRPSLLVAVMFSLIIYIENRMYRTPRNLKKLNVIDEGWRLLDFKNHKVGEFIEKGYRTARRHTGAYITITQNIVDFDSDKASSAARAAWGNSSYKIILKQSAKEFAKYNQLYPDQFQPLQRDMIGKFGAARDQWFSSFLLQVENHSSWHRLFVDPLSRAMYSSDGPDFEFVQQKRKEGLSIHEAVWQLAWKKSGPEMASLEAWLEEHEKYRTRRRSHWWWTVPGCLAMVLLNAAVSYGIVRLNAPVTAAFNMKQTVDAFFDSASQKQLSEPAGVAAEISRGHSGVACRGTGGSGYHPGNPAGYRPANEGGAMRCRGLIALLIWGQSVAAADLGTWGDLWPVKEPDMLTVIMQRLTALEQSGEMGRKMDAFKERVIRNSLRPPAVPGIGRTEKYGSRLFDPSVRLAADIRDNEGRVFARQGEVMNPLQYVPFNQTLYFINGDDPAQVAWMKRQTPPTLESKIILVQGSIPEMQKSLDSCVYFDQNGVLCQRLGIDQVPARVSAVPGDRFLKVEFIPAEEGRK
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.1	Very low	63.4	Low	242 Å²	242	126.5 Å²	126.5	100%	1.192	69%	0.686	S	S	*	*				0	141.6	0	-78.4	176.5	172.1	0	0	108	N3	M1-N3 PolarHBondContact O-N 2.67Å
2	N	46.1	Very low	64.1	Low	161 Å²	161	119.9 Å²	119.9	86%	0.861	66%	0.662	S	S	*	*			trans	-39.6	116.7	-162.1	-71.3	-16.7	0	0	0	117	N4	N2-N4 PolarHBondContact O-N 3.48Å
3	N	53.5	Low	64.8	Low	163 Å²	163	116.5 Å²	116.5	87%	0.872	65%	0.646	S	S	*	*			trans	-71	100.5	152.4	-82.2	-12.9	0	0	0	107.3	M1 P5	M1-N3 PolarHBondContact O-N 2.67Å; N3-P5 VanDerWaalsContact O-CD 3.22Å; N3-P5 WeakPolarHBondContact O-CD 3.12Å
4	N	66.2	Low	65.4	Low	86 Å²	86	115.2 Å²	115.2	46%	0.46	64%	0.637	S	S	.	*			trans	-83.7	111	172.8	-166.3	-4	0	0	0	108.8	N2 L6 E7	N2-N4 PolarHBondContact O-N 3.48Å; N4-L6 PolarHBondContact O-N 2.67Å; N4-E7 PolarHBondContact O-N 3.34Å; N4-E7 VanDerWaalsContact O-N 3.16Å
5	P	65.9	Low	65.6	Low	97 Å²	97	112.3 Å²	112.3	63%	0.63	63%	0.629	S	S	*	*	H	α-helix	trans	-57.3	-19	-179.5	19.6	-30.6	0	0	0	113.9	N3 E7 A8 V9	N3-P5 VanDerWaalsContact O-CD 3.22Å; N3-P5 WeakPolarHBondContact O-CD 3.12Å; P5-E7 PolarHBondContact O-N 3.35Å; P5-A8 PolarHBondContact O-N 3.33Å; P5-V9 WeakPolarHBondContact O-CG2 3.25Å; P5-V9 PolarHBondContact O-N 3.24Å
6	L	67.7	Low	65.4	Low	117 Å²	117	112.4 Å²	112.4	61%	0.613	63%	0.626	S	S	*	*	H	α-helix	trans	-63	-34.7	175.5	-98.7	135.6	0	0	0	114.4	N4 V9 T10	N4-L6 PolarHBondContact O-N 2.67Å; L6-V9 PolarHBondContact O-N 3.36Å; L6-T10 WeakPolarHBondContact O-CB 3.18Å; L6-T10 PolarHBondContact O-N 3.49Å; L6-T10 PolarHBondContact O-OG1 3.15Å
7	E	69.2	Low	65.5	Low	146 Å²	146	109.8 Å²	109.8	68%	0.682	61%	0.614	S	S	*	*	H	α-helix	trans	-68.7	-39.8	178.8	-85.3	-175.9	152.2	0	0	111.9	N4 P5 V9 T10 Q11	N4-E7 PolarHBondContact O-N 3.34Å; N4-E7 VanDerWaalsContact O-N 3.16Å; P5-E7 PolarHBondContact O-N 3.35Å; E7-V9 PolarHBondContact O-N 2.73Å; E7-T10 PolarHBondContact O-N 3.03Å; E7-Q11 PolarHBondContact O-N 3.36Å
8	A	70	Confident	65.4	Low	64 Å²	64	109.1 Å²	109.1	53%	0.529	61%	0.613	S	S	.	*	H	α-helix	trans	-64	-41.1	177.1	0	0	0	0	0	111.8	P5 A12	P5-A8 PolarHBondContact O-N 3.33Å; A8-A12 PolarHBondContact O-N 3.48Å; A8-A12 VanDerWaalsContact O-N 3.1Å
9	V	74.4	Confident	64.9	Low	92 Å²	92	106.4 Å²	106.4	56%	0.558	61%	0.606	S	S	*	*	H	α-helix	trans	-65.6	-41.7	175.4	176	0	0	0	0	110.9	P5 L6 E7 Q11 A12 V13	P5-V9 WeakPolarHBondContact O-CG2 3.25Å; P5-V9 PolarHBondContact O-N 3.24Å; L6-V9 PolarHBondContact O-N 3.36Å; E7-V9 PolarHBondContact O-N 2.73Å; V9-Q11 PolarHBondContact O-N 3.32Å; V9-A12 PolarHBondContact O-N 3.09Å; V9-V13 HydrophobicContact CG1-CG2 4.41Å; V9-V13 WeakPolarHBondContact O-CG2 3.38Å; V9-V13 PolarHBondContact O-N 3.43Å
10	T	75.3	Confident	64.3	Low	72 Å²	72	108.5 Å²	108.5	44%	0.442	61%	0.614	S	S	.	*	H	α-helix	trans	-65.9	-39.9	-179.5	-50.2	0	0	0	0	111.6	L6 E7 V13 N14	L6-T10 WeakPolarHBondContact O-CB 3.18Å; L6-T10 PolarHBondContact O-N 3.49Å; L6-T10 PolarHBondContact O-OG1 3.15Å; E7-T10 PolarHBondContact O-N 3.03Å; T10-V13 PolarHBondContact O-N 2.97Å; T10-N14 WeakPolarHBondContact O-CB 3.21Å; T10-N14 PolarHBondContact O-N 3.27Å
11	Q	72.3	Confident	63.9	Low	151 Å²	151	111.4 Å²	111.4	71%	0.706	62%	0.62	S	S	*	*	H	α-helix	trans	-62.4	-40.6	172.1	-86	-174	-16.9	0	0	112.5	E7 V9 N14 S15	E7-Q11 PolarHBondContact O-N 3.36Å; V9-Q11 PolarHBondContact O-N 3.32Å; Q11-N14 PolarHBondContact O-N 3.35Å; Q11-S15 PolarHBondContact O-N 3.44Å; Q11-S15 PolarHBondContact O-OG 2.79Å
12	A	71.9	Confident	64.7	Low	48 Å²	48	106.1 Å²	106.1	40%	0.397	60%	0.596	S	S	.	*	H	α-helix	trans	-66.6	-37.7	178.2	0	0	0	0	0	112.9	A8 V9 S15 L16	A8-A12 PolarHBondContact O-N 3.48Å; A8-A12 VanDerWaalsContact O-N 3.1Å; V9-A12 PolarHBondContact O-N 3.09Å; A12-S15 PolarHBondContact O-OG 3.17Å; A12-L16 PolarHBondContact O-N 3.18Å
13	V	73.1	Confident	65.1	Low	76 Å²	76	103.5 Å²	103.5	46%	0.461	59%	0.588	S	S	.	*	H	α-helix	trans	-70.1	-42.5	176.7	174.4	0	0	0	0	110.8	V9 T10 S15 L16 V17	V9-V13 HydrophobicContact CG1-CG2 4.41Å; V9-V13 WeakPolarHBondContact O-CG2 3.38Å; V9-V13 PolarHBondContact O-N 3.43Å; T10-V13 PolarHBondContact O-N 2.97Å; V13-S15 VanDerWaalsContact C-N 3.32Å; V13-S15 PolarHBondContact O-N 3.45Å; V13-L16 PolarHBondContact O-N 2.75Å; V13-V17 HydrophobicContact CG1-CG2 4.4Å; V13-V17 WeakPolarHBondContact O-CG2 3.34Å; V13-V17 PolarHBondContact O-N 3.43Å
14	N	72.7	Confident	65.4	Low	98 Å²	98	102.1 Å²	102.1	52%	0.524	58%	0.581	S	S	.	*	H	α-helix	trans	-64.6	-36	178.3	-78.3	-18.9	0	0	0	112.3	T10 Q11 T18	T10-N14 WeakPolarHBondContact O-CB 3.21Å; T10-N14 PolarHBondContact O-N 3.27Å; Q11-N14 PolarHBondContact O-N 3.35Å; N14-T18 WeakPolarHBondContact O-CB 3.3Å; N14-T18 PolarHBondContact O-N 3.41Å; N14-T18 VanDerWaalsContact O-N 3.07Å; N14-T18 PolarHBondContact O-OG1 3.22Å
15	S	68.4	Low	65.2	Low	72 Å²	72	104.2 Å²	104.2	50%	0.503	59%	0.588	S	S	.	*	H	α-helix	trans	-67.4	-39.4	174.8	62.3	0	0	0	0	112.3	Q11 A12 V13 T18 A19	Q11-S15 PolarHBondContact O-N 3.44Å; Q11-S15 PolarHBondContact O-OG 2.79Å; A12-S15 PolarHBondContact O-OG 3.17Å; V13-S15 VanDerWaalsContact C-N 3.32Å; V13-S15 PolarHBondContact O-N 3.45Å; S15-T18 PolarHBondContact O-N 3.1Å; S15-A19 WeakPolarHBondContact O-CB 3.25Å; S15-A19 PolarHBondContact O-N 3.25Å
16	L	62.7	Low	65.3	Low	113 Å²	113	102.3 Å²	102.3	59%	0.592	58%	0.577	S	S	*	*	H	α-helix	trans	-62.9	-45	174.4	-89.1	159	0	0	0	113	A12 V13 T18 A19 L20	A12-L16 PolarHBondContact O-N 3.18Å; V13-L16 PolarHBondContact O-N 2.75Å; L16-T18 VanDerWaalsContact C-N 3.3Å; L16-T18 PolarHBondContact O-N 3.23Å; L16-A19 PolarHBondContact O-N 3Å; L16-L20 PolarHBondContact O-N 2.67Å
17	V	66.2	Low	65.4	Low	69 Å²	69	100.1 Å²	100.1	42%	0.418	58%	0.575	S	S	.	*	H	α-helix	trans	-66.8	-34	178.6	174.1	0	0	0	0	111.5	V13	V13-V17 HydrophobicContact CG1-CG2 4.4Å; V13-V17 WeakPolarHBondContact O-CG2 3.34Å; V13-V17 PolarHBondContact O-N 3.43Å
18	T	63.8	Low	65.5	Low	96 Å²	96	99.5 Å²	99.5	59%	0.589	57%	0.57	S	S	*	*	H	α-helix	trans	-69.6	-39.3	175.1	-49.4	0	0	0	0	111.1	N14 S15 L16 L20 K21	N14-T18 WeakPolarHBondContact O-CB 3.3Å; N14-T18 PolarHBondContact O-N 3.41Å; N14-T18 VanDerWaalsContact O-N 3.07Å; N14-T18 PolarHBondContact O-OG1 3.22Å; S15-T18 PolarHBondContact O-N 3.1Å; L16-T18 VanDerWaalsContact C-N 3.3Å; L16-T18 PolarHBondContact O-N 3.23Å; T18-L20 PolarHBondContact O-N 2.79Å; T18-K21 PolarHBondContact O-N 2.84Å
19	A	56.1	Low	65.5	Low	59 Å²	59	98.9 Å²	98.9	49%	0.488	57%	0.565	S	S	.	*	H	α-helix	trans	-64	-37.3	175.9	0	0	0	0	0	112.9	S15 L16 K21 L22	S15-A19 WeakPolarHBondContact O-CB 3.25Å; S15-A19 PolarHBondContact O-N 3.25Å; L16-A19 PolarHBondContact O-N 3Å; A19-K21 PolarHBondContact O-N 2.91Å; A19-L22 PolarHBondContact O-N 3.03Å
20	L	52.5	Low	65.5	Low	147 Å²	147	99.6 Å²	99.6	77%	0.77	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.1	-16.3	177.3	-81.1	160.8	0	0	0	114.3	L16 T18	L16-L20 PolarHBondContact O-N 2.67Å; T18-L20 PolarHBondContact O-N 2.79Å
21	K	56.3	Low	65.5	Low	171 Å²	171	102.3 Å²	102.3	74%	0.743	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.6	-1.2	179	-75.8	-174.5	177.2	-178.4	0	114.1	T18 A19	T18-K21 PolarHBondContact O-N 2.84Å; A19-K21 PolarHBondContact O-N 2.91Å
22	L	54.3	Low	65.6	Low	131 Å²	131	98.5 Å²	98.5	69%	0.686	56%	0.561	S	S	*	*	S	Bend	trans	-74.2	125.6	176.4	-75.8	163.1	0	0	0	109.6	A19	A19-L22 PolarHBondContact O-N 3.03Å
23	P	54.8	Low	65.4	Low	105 Å²	105	101.1 Å²	101.1	68%	0.682	57%	0.567	S	S	*	*			trans	-60.5	138.9	179.7	23.3	-32.4	0	0	0	111.7	E25	P23-E25 PolarHBondContact O-N 3.31Å
24	D	59.6	Low	65.3	Low	135 Å²	135	100.8 Å²	100.8	72%	0.722	58%	0.579	S	S	*	*			trans	-76.3	78.9	-171.8	-166.7	7.3	0	0	0	112	S26	D24-S26 PolarHBondContact O-N 2.9Å; D24-S26 WeakPolarHBondContact OD1-CB 3.13Å; D24-S26 PolarHBondContact OD1-N 2.83Å; D24-S26 PolarHBondContact OD1-OG 3.41Å
25	E	61	Low	65.4	Low	130 Å²	130	103.6 Å²	103.6	61%	0.607	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.6	0.7	175.1	-74.7	-94.9	135	0	0	113.4	P23 A27 K28 A29	P23-E25 PolarHBondContact O-N 3.31Å; E25-A27 VanDerWaalsContact C-N 3.34Å; E25-A27 PolarHBondContact O-N 3.19Å; E25-K28 PolarHBondContact O-N 3.4Å; E25-A29 PolarHBondContact O-N 3.48Å
26	S	69	Low	65.2	Low	57 Å²	57	104.7 Å²	104.7	40%	0.399	59%	0.587	S	S	.	*	H	α-helix	trans	-62.2	-36.2	-174.3	65.7	0	0	0	0	113.7	D24 A29 N30	D24-S26 PolarHBondContact O-N 2.9Å; D24-S26 WeakPolarHBondContact OD1-CB 3.13Å; D24-S26 PolarHBondContact OD1-N 2.83Å; D24-S26 PolarHBondContact OD1-OG 3.41Å; S26-A29 PolarHBondContact O-N 3.28Å; S26-N30 PolarHBondContact O-N 3.38Å; S26-N30 PolarHBondContact O-ND2 3.45Å
27	A	69.4	Low	65.1	Low	71 Å²	71	104.3 Å²	104.3	59%	0.587	59%	0.594	S	S	*	*	H	α-helix	trans	-65.6	-42	178.3	0	0	0	0	0	112.2	E25 N30 E31	E25-A27 VanDerWaalsContact C-N 3.34Å; E25-A27 PolarHBondContact O-N 3.19Å; A27-N30 PolarHBondContact O-N 2.8Å; A27-E31 PolarHBondContact O-N 3.06Å
28	K	72.2	Confident	65.2	Low	132 Å²	132	108.4 Å²	108.4	57%	0.574	61%	0.607	S	S	*	*	H	α-helix	trans	-70.4	-37.3	179.1	-153.6	172.1	-173.8	179.1	0	111.4	E25 N30 E31 V32	E25-K28 PolarHBondContact O-N 3.4Å; K28-N30 VanDerWaalsContact C-N 3.35Å; K28-E31 PolarHBondContact O-N 3.26Å; K28-V32 WeakPolarHBondContact O-CG2 3.2Å; K28-V32 PolarHBondContact O-N 3.41Å; K28-V32 VanDerWaalsContact O-N 3.08Å
29	A	69.1	Low	65.6	Low	51 Å²	51	109.7 Å²	109.7	42%	0.421	62%	0.617	S	S	.	*	H	α-helix	trans	-61.6	-41.3	171.8	0	0	0	0	0	112.1	E25 S26 L33	E25-A29 PolarHBondContact O-N 3.48Å; S26-A29 PolarHBondContact O-N 3.28Å; A29-L33 WeakPolarHBondContact O-CB 3.38Å; A29-L33 WeakPolarHBondContact O-CD1 3.33Å; A29-L33 VanDerWaalsContact O-CG 3.24Å; A29-L33 WeakPolarHBondContact O-CG 3.26Å; A29-L33 PolarHBondContact O-N 3.3Å
30	N	75.4	Confident	66.8	Low	107 Å²	107	111.4 Å²	111.4	57%	0.572	62%	0.615	S	S	*	*	H	α-helix	trans	-67.7	-37.5	177.1	-76.8	-29.5	0	0	0	113.1	S26 A27 K28 L33 G34	S26-N30 PolarHBondContact O-N 3.38Å; S26-N30 PolarHBondContact O-ND2 3.45Å; A27-N30 PolarHBondContact O-N 2.8Å; K28-N30 VanDerWaalsContact C-N 3.35Å; N30-L33 PolarHBondContact O-N 2.84Å; N30-G34 PolarHBondContact O-N 2.97Å
31	E	75.1	Confident	68.7	Low	130 Å²	130	105.2 Å²	105.2	61%	0.607	58%	0.582	S	S	*	*	H	α-helix	trans	-63.7	-47.7	175.5	-169.5	173.8	-158.2	0	0	111.1	A27 K28 L33 G34 E35	A27-E31 PolarHBondContact O-N 3.06Å; K28-E31 PolarHBondContact O-N 3.26Å; E31-L33 VanDerWaalsContact C-N 3.33Å; E31-L33 PolarHBondContact O-N 3.06Å; E31-G34 PolarHBondContact O-N 3.35Å; E31-G34 VanDerWaalsContact O-N 3.1Å; E31-E35 PolarHBondContact O-N 3.18Å; E31-E35 VanDerWaalsContact O-N 3.17Å
32	V	74.8	Confident	70.5	Confident	71 Å²	71	97.6 Å²	97.6	43%	0.43	55%	0.55	S	S	.	*	H	α-helix	trans	-60.5	-41.8	175.1	173.1	0	0	0	0	111.5	K28 G34 E35 M36	K28-V32 WeakPolarHBondContact O-CG2 3.2Å; K28-V32 PolarHBondContact O-N 3.41Å; K28-V32 VanDerWaalsContact O-N 3.08Å; V32-G34 VanDerWaalsContact C-N 3.29Å; V32-G34 PolarHBondContact O-N 3.1Å; V32-E35 PolarHBondContact O-N 3.26Å; V32-M36 HydrophobicContact CG1-CE 3.61Å; V32-M36 WeakPolarHBondContact O-CG 3.3Å; V32-M36 PolarHBondContact O-N 3.49Å
33	L	67.1	Low	72.3	Confident	103 Å²	103	98.8 Å²	98.8	54%	0.539	55%	0.545	S	S	.	.	H	α-helix	trans	-63.3	-33.6	175.8	-77.5	166.5	0	0	0	112.6	A29 N30 E31 M36	A29-L33 WeakPolarHBondContact O-CB 3.38Å; A29-L33 WeakPolarHBondContact O-CD1 3.33Å; A29-L33 VanDerWaalsContact O-CG 3.24Å; A29-L33 WeakPolarHBondContact O-CG 3.26Å; A29-L33 PolarHBondContact O-N 3.3Å; N30-L33 PolarHBondContact O-N 2.84Å; E31-L33 VanDerWaalsContact C-N 3.33Å; E31-L33 PolarHBondContact O-N 3.06Å; L33-M36 HydrophobicContact CD2-SD 4.41Å; L33-M36 PolarHBondContact O-N 2.77Å
34	G	70.4	Confident	74	Confident	69 Å²	69	97.7 Å²	97.7	71%	0.711	53%	0.533	S	S	*	.	H	α-helix	trans	-70.4	-31.8	177.2	0	0	0	0	0	113.8	N30 E31 V32	N30-G34 PolarHBondContact O-N 2.97Å; E31-G34 PolarHBondContact O-N 3.35Å; E31-G34 VanDerWaalsContact O-N 3.1Å; V32-G34 VanDerWaalsContact C-N 3.29Å; V32-G34 PolarHBondContact O-N 3.1Å
35	E	75.4	Confident	75.7	Confident	157 Å²	157	91.3 Å²	91.3	73%	0.734	50%	0.499	S	S	*	.	H	α-helix	trans	-77.9	-18.7	175.9	-67.7	-173.2	163.3	0	0	113.3	E31 V32 S37	E31-E35 PolarHBondContact O-N 3.18Å; E31-E35 VanDerWaalsContact O-N 3.17Å; V32-E35 PolarHBondContact O-N 3.26Å; E35-S37 PolarHBondContact O-N 3.32Å; E35-S37 VanDerWaalsContact O-N 3.11Å
36	M	63.9	Low	77.4	Confident	94 Å²	94	85.1 Å²	85.1	46%	0.463	47%	0.47	S	S	.	.			trans	-73.3	103.1	179.7	-71.7	-179.3	-178.1	0	0	111.7	V32 L33 F38	V32-M36 HydrophobicContact CG1-CE 3.61Å; V32-M36 WeakPolarHBondContact O-CG 3.3Å; V32-M36 PolarHBondContact O-N 3.49Å; L33-M36 HydrophobicContact CD2-SD 4.41Å; L33-M36 PolarHBondContact O-N 2.77Å; M36-F38 HydrophobicContact CB-CD2 4.15Å; M36-F38 HydrophobicContact CB-CE2 3.44Å; M36-F38 VanDerWaalsContact CB-CE2 3.44Å; M36-F38 HydrophobicContact CB-CZ 3.75Å; M36-F38 HydrophobicContact CG-CE2 4.37Å; M36-F38 HydrophobicContact CG-CZ 4.27Å; M36-F38 WeakPolarHBondContact O-CD2 3.38Å; M36-F38 PolarHBondContact O-N 3.43Å; M36-F38 HydrophobicContact SD-CE2 4.15Å; M36-F38 HydrophobicContact SD-CZ 3.72Å
37	S	61.6	Low	78.7	Confident	106 Å²	106	82.4 Å²	82.4	74%	0.741	45%	0.451	S	S	*	.			trans	-78.1	110.8	169.6	65.4	0	0	0	0	110.8	E35 P39	E35-S37 PolarHBondContact O-N 3.32Å; E35-S37 VanDerWaalsContact O-N 3.11Å; S37-P39 VanDerWaalsContact C-CD 3.44Å; S37-P39 WeakPolarHBondContact O-CD 3.38Å
38	F	67.1	Low	80	Confident	154 Å²	154	81.9 Å²	81.9	68%	0.675	43%	0.434	S	S	*	.			trans	-103.2	81.7	171.1	-60.8	-78.6	0	0	0	110.7	M36 Q40	M36-F38 HydrophobicContact CB-CD2 4.15Å; M36-F38 HydrophobicContact CB-CE2 3.44Å; M36-F38 VanDerWaalsContact CB-CE2 3.44Å; M36-F38 HydrophobicContact CB-CZ 3.75Å; M36-F38 HydrophobicContact CG-CE2 4.37Å; M36-F38 HydrophobicContact CG-CZ 4.27Å; M36-F38 WeakPolarHBondContact O-CD2 3.38Å; M36-F38 PolarHBondContact O-N 3.43Å; M36-F38 HydrophobicContact SD-CE2 4.15Å; M36-F38 HydrophobicContact SD-CZ 3.72Å; F38-Q40 PolarHBondContact O-N 2.94Å
39	P	72.1	Confident	81.1	Confident	124 Å²	124	80.3 Å²	80.3	81%	0.805	43%	0.432	S	S	*	.			trans	-64.1	121.9	175.9	27	-33.4	0	0	0	110.1	S37	S37-P39 VanDerWaalsContact C-CD 3.44Å; S37-P39 WeakPolarHBondContact O-CD 3.38Å
40	Q	82.8	Confident	82.4	Confident	94 Å²	94	79.5 Å²	79.5	44%	0.439	42%	0.418	S	S	.	.			trans	-94.8	128.5	178.2	-68.9	178.2	-23.4	0	0	110.7	F38 S42 R43	F38-Q40 PolarHBondContact O-N 2.94Å; Q40-S42 VanDerWaalsContact C-N 3.27Å; Q40-S42 PolarHBondContact O-N 2.94Å; Q40-R43 HydrophobicContact CB-CG 4.14Å; Q40-R43 WeakPolarHBondContact O-CB 3.43Å; Q40-R43 PolarHBondContact O-N 3.33Å; Q40-R43 VanDerWaalsContact O-N 3.11Å
41	F	92.2	Very high	83.3	Confident	18 Å²	18	76.8 Å²	76.8	8%	0.079	40%	0.404	C	S	.	.	G	3₁₀ helix	trans	-57.7	-39.7	177.8	-178.8	-99.2	0	0	0	112.5	R43 L44 L45 I214 V239 F243 L245 M407 F410 L411 L414	F41-R43 PolarHBondContact O-N 2.93Å; F41-R43 VanDerWaalsContact O-N 3.11Å; F41-L44 HydrophobicContact CD2-CD1 4.04Å; F41-L44 HydrophobicContact CE2-CD1 4.42Å; F41-L44 VanDerWaalsContact O-CB 3.32Å; F41-L44 WeakPolarHBondContact O-CB 3.36Å; F41-L44 PolarHBondContact O-N 3.29Å; F41-L45 HydrophobicContact CD1-CD1 4.47Å; F41-L45 HydrophobicContact CE1-CD1 4.27Å; F41-L45 HydrophobicContact CE1-CD2 4.03Å; F41-L45 HydrophobicContact CE1-CG 4.38Å; F41-L45 HydrophobicContact CZ-CD2 4.33Å; F41-I214 HydrophobicContact CD1-CG2 4.27Å; F41-I214 HydrophobicContact CE1-CD1 4.22Å; F41-I214 HydrophobicContact CE1-CG1 4.38Å; F41-I214 HydrophobicContact CE1-CG2 3.76Å; F41-V239 HydrophobicContact CD1-CG1 4.44Å; F41-V239 HydrophobicContact CD1-CG2 4.04Å; F41-F243 HydrophobicContact CB-CD1 4.06Å; F41-F243 HydrophobicContact CB-CE1 3.54Å; F41-F243 HydrophobicContact CB-CZ 4.31Å; F41-F243 AromaticContact CD1-CE1 3.83Å; F41-F243 HydrophobicContact CD1-CE1 3.83Å; F41-F243 HydrophobicContact CD1-CE2 4.42Å; F41-F243 AromaticContact CD1-CZ 3.72Å; F41-F243 HydrophobicContact CD1-CZ 3.72Å; F41-F243 HydrophobicContact CD2-CE1 4.1Å; F41-F243 HydrophobicContact CD2-CZ 4.23Å; F41-F243 HydrophobicContact CE1-CZ 4.05Å; F41-F243 HydrophobicContact CG-CD1 4.45Å; F41-F243 AromaticContact CG-CE1 3.56Å; F41-F243 HydrophobicContact CG-CE1 3.56Å; F41-F243 AromaticContact CG-CZ 3.82Å; F41-F243 HydrophobicContact CG-CZ 3.82Å; F41-F243 HydrophobicContact CZ-CZ 4.44Å; F41-L245 HydrophobicContact CD2-CD2 3.94Å; F41-L245 HydrophobicContact CE2-CD2 3.91Å; F41-M407 HydrophobicContact CD2-CE 4.42Å; F41-M407 HydrophobicContact CE2-CE 4.37Å; F41-M407 HydrophobicContact CE2-SD 4.48Å; F41-F410 HydrophobicContact CE2-CE1 4.31Å; F41-F410 HydrophobicContact CZ-CD1 4.44Å; F41-F410 AromaticContact CZ-CE1 3.89Å; F41-F410 HydrophobicContact CZ-CE1 3.89Å; F41-L411 HydrophobicContact CE2-CD2 3.76Å; F41-L411 HydrophobicContact CZ-CD2 3.86Å; F41-L414 HydrophobicContact CZ-CD1 4.21Å
42	S	93.6	Very high	84.1	Confident	11 Å²	11	78.8 Å²	78.8	8%	0.077	41%	0.413	C	S	.	.	G	3₁₀ helix	trans	-54.8	-29.7	177.1	54.8	0	0	0	0	113.5	Q40 L44 L45 N235	Q40-S42 VanDerWaalsContact C-N 3.27Å; Q40-S42 PolarHBondContact O-N 2.94Å; S42-L44 VanDerWaalsContact C-N 3.3Å; S42-L44 PolarHBondContact O-N 3.46Å; S42-L45 WeakPolarHBondContact O-CB 3.46Å; S42-L45 PolarHBondContact O-N 3.38Å; S42-N235 WeakPolarHBondContact CB-O 3.03Å; S42-N235 WeakPolarHBondContact O-CB 3.44Å; S42-N235 PolarHBondContact O-ND2 3.45Å
43	R	91.1	Very high	85	Confident	156 Å²	156	84.4 Å²	84.4	59%	0.589	44%	0.435	S	S	*	.	G	3₁₀ helix	trans	-74	-17.8	178.1	-66.8	-174.7	-179.6	-165.3	-3	113.8	Q40 F41 L45 Y236	Q40-R43 HydrophobicContact CB-CG 4.14Å; Q40-R43 WeakPolarHBondContact O-CB 3.43Å; Q40-R43 PolarHBondContact O-N 3.33Å; Q40-R43 VanDerWaalsContact O-N 3.11Å; F41-R43 PolarHBondContact O-N 2.93Å; F41-R43 VanDerWaalsContact O-N 3.11Å; R43-L45 VanDerWaalsContact C-N 3.31Å; R43-Y236 HydrophobicContact CG-CE1 4.34Å
44	L	91.3	Very high	86.2	Confident	82 Å²	82	80.4 Å²	80.4	43%	0.429	42%	0.415	S	S	.	.	G	3₁₀ helix	trans	-72.3	-30.3	173.2	-59.6	176.9	0	0	0	111.4	F41 S42 K420	F41-L44 HydrophobicContact CD2-CD1 4.04Å; F41-L44 HydrophobicContact CE2-CD1 4.42Å; F41-L44 VanDerWaalsContact O-CB 3.32Å; F41-L44 WeakPolarHBondContact O-CB 3.36Å; F41-L44 PolarHBondContact O-N 3.29Å; S42-L44 VanDerWaalsContact C-N 3.3Å; S42-L44 PolarHBondContact O-N 3.46Å; L44-K420 PolarHBondContact O-NZ 2.87Å
45	L	96.4	Very high	87.3	Confident	0 Å²	0	77.9 Å²	77.9	0%	0	39%	0.389	C	S	.	.	S	Bend	trans	-74.2	139.8	-173.8	-53	174.3	0	0	0	111.8	F41 S42 R43 Y47 R48 I214 N235 V239 L414	F41-L45 HydrophobicContact CD1-CD1 4.47Å; F41-L45 HydrophobicContact CE1-CD1 4.27Å; F41-L45 HydrophobicContact CE1-CD2 4.03Å; F41-L45 HydrophobicContact CE1-CG 4.38Å; F41-L45 HydrophobicContact CZ-CD2 4.33Å; S42-L45 WeakPolarHBondContact O-CB 3.46Å; S42-L45 PolarHBondContact O-N 3.38Å; R43-L45 VanDerWaalsContact C-N 3.31Å; L45-Y47 VanDerWaalsContact C-N 3.33Å; L45-Y47 HydrophobicContact CB-CD2 3.89Å; L45-Y47 HydrophobicContact CB-CE2 3.85Å; L45-Y47 HydrophobicContact CD1-CD2 4.27Å; L45-Y47 HydrophobicContact CD1-CE2 3.98Å; L45-Y47 HydrophobicContact CD2-CE2 4.18Å; L45-Y47 HydrophobicContact CG-CE2 4.22Å; L45-Y47 PolarHBondContact O-N 3.09Å; L45-R48 PolarHBondContact O-NH1 3.32Å; L45-I214 HydrophobicContact CD1-CD1 3.66Å; L45-I214 HydrophobicContact CD2-CD1 4.26Å; L45-N235 HydrophobicContact CB-CB 3.91Å; L45-V239 HydrophobicContact CD1-CG2 3.68Å; L45-L414 HydrophobicContact CD2-CD1 3.75Å
46	P	95.4	Very high	88.4	Confident	0 Å²	0	70.4 Å²	70.4	0%	0	35%	0.354	C	S	.	.			trans	-78.9	-13.2	-173.9	27.7	-32.1	0	0	0	114.3	R48 N59 D60 F416 M417 K420	P46-R48 PolarHBondContact O-NH1 2.95Å; P46-N59 HydrophobicContact CB-CB 4Å; P46-N59 CarbonylContact O-C 3.51Å; P46-N59 WeakPolarHBondContact O-CA 3.39Å; P46-N59 VanDerWaalsContact O-CB 3.28Å; P46-N59 WeakPolarHBondContact O-CB 3.47Å; P46-D60 PolarHBondContact O-N 3.06Å; P46-F416 HydrophobicContact CG-CB 3.95Å; P46-M417 WeakPolarHBondContact CD-SD 3.26Å; P46-M417 HydrophobicContact CG-SD 4.17Å; P46-K420 HydrophobicContact CB-CD 4.17Å
47	Y	97.3	Very high	90	Very high	0 Å²	0	65.9 Å²	65.9	0%	0	33%	0.332	C	S	.	.			trans	-68.4	131.1	-166.7	-34.7	-44.7	0	0	0	111.2	L45 F206 V210 N235 P415 F416	L45-Y47 VanDerWaalsContact C-N 3.33Å; L45-Y47 HydrophobicContact CB-CD2 3.89Å; L45-Y47 HydrophobicContact CB-CE2 3.85Å; L45-Y47 HydrophobicContact CD1-CD2 4.27Å; L45-Y47 HydrophobicContact CD1-CE2 3.98Å; L45-Y47 HydrophobicContact CD2-CE2 4.18Å; L45-Y47 HydrophobicContact CG-CE2 4.22Å; L45-Y47 PolarHBondContact O-N 3.09Å; Y47-F206 AromaticContact CD1-CE1 3.96Å; Y47-F206 HydrophobicContact CD1-CE1 3.96Å; Y47-F206 AromaticContact CD1-CZ 3.54Å; Y47-F206 HydrophobicContact CD1-CZ 3.54Å; Y47-F206 AromaticContact CD2-CE1 3.77Å; Y47-F206 HydrophobicContact CD2-CE1 3.77Å; Y47-F206 HydrophobicContact CD2-CZ 4.01Å; Y47-F206 HydrophobicContact CE1-CE1 4.36Å; Y47-F206 AromaticContact CE1-CZ 3.64Å; Y47-F206 HydrophobicContact CE1-CZ 3.64Å; Y47-F206 HydrophobicContact CE2-CE1 4.18Å; Y47-F206 HydrophobicContact CE2-CZ 4.09Å; Y47-F206 AromaticContact CG-CE1 3.65Å; Y47-F206 HydrophobicContact CG-CE1 3.65Å; Y47-F206 AromaticContact CG-CZ 3.75Å; Y47-F206 HydrophobicContact CG-CZ 3.75Å; Y47-F206 AromaticContact CZ-CZ 3.9Å; Y47-V210 HydrophobicContact CE2-CG1 3.66Å; Y47-N235 HydrophobicContact CD2-CB 4.41Å; Y47-N235 VanDerWaalsContact O-CB 3.24Å; Y47-N235 WeakPolarHBondContact O-CB 3.33Å; Y47-N235 PolarHBondContact O-N 3.04Å; Y47-N235 PolarHBondContact O-OD1 3.4Å; Y47-P415 WeakPolarHBondContact CE1-O 3.5Å; Y47-P415 PolarHBondContact OH-O 3.06Å; Y47-P415 VanDerWaalsContact OH-O 3.06Å; Y47-F416 AromaticContact CD1-CD2 3.86Å; Y47-F416 HydrophobicContact CD1-CD2 3.86Å; Y47-F416 HydrophobicContact CE1-CB 4.29Å; Y47-F416 AromaticContact CE1-CD2 3.75Å; Y47-F416 HydrophobicContact CE1-CD2 3.75Å; Y47-F416 HydrophobicContact CE1-CG 4.48Å
48	R	95.9	Very high	91.6	Very high	60 Å²	60	61.8 Å²	61.8	23%	0.226	30%	0.301	C	S	.	.			trans	-127.6	-69.6	175.9	-57.4	-68.8	177.7	-89.5	0.6	110.3	L45 P46 M58 D60 D233 L234	L45-R48 PolarHBondContact O-NH1 3.32Å; P46-R48 PolarHBondContact O-NH1 2.95Å; R48-M58 WeakPolarHBondContact CB-O 3.4Å; R48-D60 HydrophobicContact CG-CB 4.41Å; R48-D60 IonicContact NH2-OD2 3.7Å; R48-D233 VanDerWaalsContact CD-OD2 3.28Å; R48-D233 WeakPolarHBondContact CD-OD2 3.44Å; R48-D233 CarbonylContact O-C 3.24Å; R48-D233 WeakPolarHBondContact O-CA 3.35Å; R48-L234 WeakPolarHBondContact O-CG 3.31Å; R48-L234 PolarHBondContact O-N 3.36Å
49	D	95.2	Very high	92.9	Very high	100 Å²	100	54.4 Å²	54.4	54%	0.535	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	164.2	-172.9	-158.4	-6.5	0	0	0	111.4	M58	D49-M58 HydrophobicContact CB-CB 4.21Å; D49-M58 PolarHBondContact O-N 3.17Å
50	Y	96.4	Very high	93.9	Very high	33 Å²	33	50.9 Å²	50.9	13%	0.129	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	120.4	176.6	175.3	-101.7	0	0	0	109.8	Q52 G55 F57 D202 A203	Y50-Q52 HydrophobicContact CD1-CB 4.48Å; Y50-Q52 HydrophobicContact CE1-CB 4.23Å; Y50-Q52 HydrophobicContact CE1-CG 4.5Å; Y50-Q52 PolarHBondContact O-N 2.91Å; Y50-G55 WeakPolarHBondContact OH-CA 3.08Å; Y50-F57 AromaticContact CD2-CD1 3.85Å; Y50-F57 HydrophobicContact CD2-CD1 3.85Å; Y50-F57 HydrophobicContact CD2-CD2 4.15Å; Y50-F57 AromaticContact CD2-CE1 3.61Å; Y50-F57 HydrophobicContact CD2-CE1 3.61Å; Y50-F57 AromaticContact CD2-CE2 3.93Å; Y50-F57 HydrophobicContact CD2-CE2 3.93Å; Y50-F57 HydrophobicContact CD2-CG 4.1Å; Y50-F57 AromaticContact CD2-CZ 3.64Å; Y50-F57 HydrophobicContact CD2-CZ 3.64Å; Y50-F57 HydrophobicContact CE2-CD2 4.41Å; Y50-F57 HydrophobicContact CE2-CE1 4.34Å; Y50-F57 AromaticContact CE2-CE2 3.94Å; Y50-F57 HydrophobicContact CE2-CE2 3.94Å; Y50-F57 AromaticContact CE2-CZ 3.89Å; Y50-F57 HydrophobicContact CE2-CZ 3.89Å; Y50-F57 HydrophobicContact CG-CE1 4.31Å; Y50-D202 HydrophobicContact CE1-CB 4.02Å; Y50-A203 HydrophobicContact CD1-CB 3.75Å; Y50-A203 HydrophobicContact CG-CB 3.84Å
51	N	94.3	Very high	94.3	Very high	51 Å²	51	49.1 Å²	49.1	27%	0.273	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	107.8	176	-179.5	-60.9	0	0	0	109.4	E53 S54 G55 L56 M58	N51-E53 VanDerWaalsContact C-N 3.32Å; N51-E53 PolarHBondContact O-N 3.49Å; N51-E53 PolarHBondContact OD1-N 2.96Å; N51-E53 VanDerWaalsContact OD1-N 3.16Å; N51-S54 WeakPolarHBondContact CB-OG 3.37Å; N51-S54 PolarHBondContact OD1-N 3.02Å; N51-S54 PolarHBondContact OD1-OG 2.94Å; N51-G55 WeakPolarHBondContact O-CA 3.22Å; N51-G55 PolarHBondContact O-N 2.89Å; N51-L56 PolarHBondContact N-O 3.37Å; N51-L56 PolarHBondContact O-N 3.13Å; N51-M58 HydrophobicContact CB-CE 3.67Å; N51-M58 HydrophobicContact CB-CG 4.37Å
52	Q	92.6	Very high	94.5	Very high	171 Å²	171	48.4 Å²	48.4	80%	0.799	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-29.3	-176.1	-170.2	172.2	10.1	0	0	113.9	Y50	Y50-Q52 HydrophobicContact CD1-CB 4.48Å; Y50-Q52 HydrophobicContact CE1-CB 4.23Å; Y50-Q52 HydrophobicContact CE1-CG 4.5Å; Y50-Q52 PolarHBondContact O-N 2.91Å
53	E	92.2	Very high	94.6	Very high	189 Å²	189	47.9 Å²	47.9	88%	0.883	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-44.9	-179.7	-63.7	179.5	170.3	0	0	111.9	N51	N51-E53 VanDerWaalsContact C-N 3.32Å; N51-E53 PolarHBondContact O-N 3.49Å; N51-E53 PolarHBondContact OD1-N 2.96Å; N51-E53 VanDerWaalsContact OD1-N 3.16Å
54	S	92.5	Very high	94.8	Very high	19 Å²	19	40.4 Å²	40.4	13%	0.133	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-19.7	180	60.1	0	0	0	0	113.7	N51 L56 E181	N51-S54 WeakPolarHBondContact CB-OG 3.37Å; N51-S54 PolarHBondContact OD1-N 3.02Å; N51-S54 PolarHBondContact OD1-OG 2.94Å; S54-L56 VanDerWaalsContact C-N 3.33Å; S54-E181 VanDerWaalsContact CA-OE1 3.28Å; S54-E181 WeakPolarHBondContact CA-OE1 3.16Å; S54-E181 WeakPolarHBondContact CB-OE1 3.42Å
55	G	95	Very high	95.2	Very high	16 Å²	16	36.7 Å²	36.7	17%	0.165	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.9	22.8	-173.6	0	0	0	0	0	114.3	Y50 N51	Y50-G55 WeakPolarHBondContact OH-CA 3.08Å; N51-G55 WeakPolarHBondContact O-CA 3.22Å; N51-G55 PolarHBondContact O-N 2.89Å
56	L	97.3	Very high	95.3	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	144.4	-174.6	-58.9	179.5	0	0	0	112.9	N51 S54 M58 M63 G64 F65 I177 M180 E181 V184	N51-L56 PolarHBondContact N-O 3.37Å; N51-L56 PolarHBondContact O-N 3.13Å; S54-L56 VanDerWaalsContact C-N 3.33Å; L56-M58 HydrophobicContact CB-CE 4.43Å; L56-M63 HydrophobicContact CB-CG 4.3Å; L56-M63 HydrophobicContact CD1-CE 4.23Å; L56-M63 HydrophobicContact CD1-CG 4.26Å; L56-M63 HydrophobicContact CD1-SD 3.91Å; L56-G64 CarbonylContact C-O 3.52Å; L56-G64 WeakPolarHBondContact CA-O 3.38Å; L56-F65 HydrophobicContact CD2-CB 3.92Å; L56-I177 HydrophobicContact CD1-CG2 4.08Å; L56-M180 HydrophobicContact CD1-CB 3.71Å; L56-M180 HydrophobicContact CD2-CB 4.16Å; L56-E181 HydrophobicContact CD1-CG 4.45Å; L56-V184 HydrophobicContact CD2-CG2 4.25Å
57	F	97.1	Very high	95.4	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	125.5	171.9	-66.3	-88.7	0	0	0	110.8	Y50 N59 M63 G64 M66 V201 F206 L234 F416	Y50-F57 AromaticContact CD2-CD1 3.85Å; Y50-F57 HydrophobicContact CD2-CD1 3.85Å; Y50-F57 HydrophobicContact CD2-CD2 4.15Å; Y50-F57 AromaticContact CD2-CE1 3.61Å; Y50-F57 HydrophobicContact CD2-CE1 3.61Å; Y50-F57 AromaticContact CD2-CE2 3.93Å; Y50-F57 HydrophobicContact CD2-CE2 3.93Å; Y50-F57 HydrophobicContact CD2-CG 4.1Å; Y50-F57 AromaticContact CD2-CZ 3.64Å; Y50-F57 HydrophobicContact CD2-CZ 3.64Å; Y50-F57 HydrophobicContact CE2-CD2 4.41Å; Y50-F57 HydrophobicContact CE2-CE1 4.34Å; Y50-F57 AromaticContact CE2-CE2 3.94Å; Y50-F57 HydrophobicContact CE2-CE2 3.94Å; Y50-F57 AromaticContact CE2-CZ 3.89Å; Y50-F57 HydrophobicContact CE2-CZ 3.89Å; Y50-F57 HydrophobicContact CG-CE1 4.31Å; F57-N59 PolarHBondContact O-N 3.31Å; F57-M63 WeakPolarHBondContact O-CA 3.05Å; F57-G64 PolarHBondContact N-O 3.27Å; F57-G64 PolarHBondContact O-N 2.9Å; F57-M66 HydrophobicContact CE2-CB 4.13Å; F57-V201 WeakPolarHBondContact CE2-O 3.32Å; F57-V201 WeakPolarHBondContact CZ-O 3.24Å; F57-F206 HydrophobicContact CD1-CD1 4.5Å; F57-F206 HydrophobicContact CD1-CD2 4.28Å; F57-F206 HydrophobicContact CD1-CE2 4.46Å; F57-F206 HydrophobicContact CD1-CG 4.29Å; F57-F206 HydrophobicContact CE1-CB 3.62Å; F57-F206 AromaticContact CE1-CD1 3.89Å; F57-F206 HydrophobicContact CE1-CD1 3.89Å; F57-F206 AromaticContact CE1-CD2 3.56Å; F57-F206 HydrophobicContact CE1-CD2 3.56Å; F57-F206 HydrophobicContact CE1-CE1 4.45Å; F57-F206 HydrophobicContact CE1-CE2 4.17Å; F57-F206 AromaticContact CE1-CG 3.39Å; F57-F206 HydrophobicContact CE1-CG 3.39Å; F57-F206 HydrophobicContact CE2-CD2 4.21Å; F57-F206 HydrophobicContact CZ-CB 3.64Å; F57-F206 AromaticContact CZ-CD2 3.53Å; F57-F206 HydrophobicContact CZ-CD2 3.53Å; F57-F206 HydrophobicContact CZ-CE2 4.34Å; F57-F206 AromaticContact CZ-CG 3.68Å; F57-F206 HydrophobicContact CZ-CG 3.68Å; F57-L234 HydrophobicContact CD1-CD1 3.92Å; F57-L234 HydrophobicContact CE1-CD1 4.08Å; F57-F416 HydrophobicContact CB-CE2 3.83Å; F57-F416 HydrophobicContact CB-CZ 4.08Å; F57-F416 HydrophobicContact CD1-CE2 4.32Å; F57-F416 AromaticContact CD2-CE2 3.89Å; F57-F416 HydrophobicContact CD2-CE2 3.89Å; F57-F416 AromaticContact CD2-CZ 3.64Å; F57-F416 HydrophobicContact CD2-CZ 3.64Å; F57-F416 HydrophobicContact CE2-CZ 4.35Å; F57-F416 AromaticContact CG-CE2 3.73Å; F57-F416 HydrophobicContact CG-CE2 3.73Å; F57-F416 AromaticContact CG-CZ 3.95Å; F57-F416 HydrophobicContact CG-CZ 3.95Å
58	M	95.2	Very high	95.5	Very high	19 Å²	19	38.3 Å²	38.3	9%	0.094	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	70.8	-177.1	-62.9	-62.2	178.6	0	0	110.1	R48 D49 N51 L56 M63 K172 I177	R48-M58 WeakPolarHBondContact CB-O 3.4Å; D49-M58 HydrophobicContact CB-CB 4.21Å; D49-M58 PolarHBondContact O-N 3.17Å; N51-M58 HydrophobicContact CB-CE 3.67Å; N51-M58 HydrophobicContact CB-CG 4.37Å; L56-M58 HydrophobicContact CB-CE 4.43Å; M58-M63 HydrophobicContact CE-SD 3.77Å; M58-M63 HydrophobicContact SD-CG 3.94Å; M58-M63 HydrophobicContact SD-SD 3.61Å; M58-M63 VanDerWaalsContact SD-SD 3.61Å; M58-K172 HydrophobicContact CB-CD 4.28Å; M58-K172 PolarHBondContact O-NZ 3.33Å; M58-K172 HydrophobicContact SD-CB 4.45Å; M58-K172 HydrophobicContact SD-CD 3.86Å; M58-K172 HydrophobicContact SD-CG 4.29Å; M58-I177 HydrophobicContact CE-CD1 4.04Å; M58-I177 HydrophobicContact CE-CG1 4.19Å
59	N	95.4	Very high	95.5	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.183	C	C	.	.			trans	-64.3	174.6	-177.4	-62.8	-36.5	0	0	0	113.9	P46 F57 T61 T62 K172 F416	P46-N59 HydrophobicContact CB-CB 4Å; P46-N59 CarbonylContact O-C 3.51Å; P46-N59 WeakPolarHBondContact O-CA 3.39Å; P46-N59 VanDerWaalsContact O-CB 3.28Å; P46-N59 WeakPolarHBondContact O-CB 3.47Å; F57-N59 PolarHBondContact O-N 3.31Å; N59-T61 VanDerWaalsContact C-N 3.34Å; N59-T61 PolarHBondContact O-N 2.84Å; N59-T62 CarbonylContact C-O 3.56Å; N59-T62 WeakPolarHBondContact CA-O 3.37Å; N59-T62 VanDerWaalsContact CB-O 3.27Å; N59-T62 WeakPolarHBondContact CB-O 3.44Å; N59-T62 VanDerWaalsContact CB-OG1 3.26Å; N59-T62 WeakPolarHBondContact CB-OG1 3.27Å; N59-T62 PolarHBondContact N-O 3.46Å; N59-T62 PolarHBondContact ND2-OG1 3.01Å; N59-T62 VanDerWaalsContact ND2-OG1 3.07Å; N59-K172 WeakPolarHBondContact O-CE 3.35Å; N59-K172 PolarHBondContact O-NZ 3.06Å; N59-F416 WeakPolarHBondContact ND2-CD2 3.44Å; N59-F416 WeakPolarHBondContact ND2-CG 3.23Å
60	D	92.1	Very high	95.4	Very high	49 Å²	49	35.8 Å²	35.8	26%	0.262	18%	0.183	S	C	.	.	S	Bend	trans	-54.5	-43.7	-179	62.7	4.9	0	0	0	114.3	P46 R48 K420	P46-D60 PolarHBondContact O-N 3.06Å; R48-D60 HydrophobicContact CG-CB 4.41Å; R48-D60 IonicContact NH2-OD2 3.7Å; D60-K420 WeakPolarHBondContact OD2-CE 2.85Å; D60-K420 IonicContact OD2-NZ 2.71Å; D60-K420 PolarHBondContact OD2-NZ 3.41Å
61	T	92.1	Very high	95.2	Very high	58 Å²	58	35.5 Å²	35.5	36%	0.356	19%	0.185	S	C	.	.	S	Bend	trans	-134.5	-6.1	-172.6	54.1	0	0	0	0	112.8	N59 S169	N59-T61 VanDerWaalsContact C-N 3.34Å; N59-T61 PolarHBondContact O-N 2.84Å; T61-S169 PolarHBondContact O-N 2.98Å; T61-S169 VanDerWaalsContact O-N 3.14Å
62	T	95.3	Very high	95.1	Very high	2 Å²	2	33.8 Å²	33.8	1%	0.012	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	167.8	-176.7	60.9	0	0	0	0	110.5	N59 S167	N59-T62 CarbonylContact C-O 3.56Å; N59-T62 WeakPolarHBondContact CA-O 3.37Å; N59-T62 VanDerWaalsContact CB-O 3.27Å; N59-T62 WeakPolarHBondContact CB-O 3.44Å; N59-T62 VanDerWaalsContact CB-OG1 3.26Å; N59-T62 WeakPolarHBondContact CB-OG1 3.27Å; N59-T62 PolarHBondContact N-O 3.46Å; N59-T62 PolarHBondContact ND2-OG1 3.01Å; N59-T62 VanDerWaalsContact ND2-OG1 3.07Å; T62-S167 CarbonylContact C-O 3.59Å; T62-S167 WeakPolarHBondContact CA-O 3.34Å; T62-S167 WeakPolarHBondContact CB-O 3.35Å
63	M	96	Very high	94.9	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	143	165.8	-178.2	170	66.8	0	0	107.7	L56 F57 M58 C166 S167 D176 I177 M180	L56-M63 HydrophobicContact CB-CG 4.3Å; L56-M63 HydrophobicContact CD1-CE 4.23Å; L56-M63 HydrophobicContact CD1-CG 4.26Å; L56-M63 HydrophobicContact CD1-SD 3.91Å; F57-M63 WeakPolarHBondContact O-CA 3.05Å; M58-M63 HydrophobicContact CE-SD 3.77Å; M58-M63 HydrophobicContact SD-CG 3.94Å; M58-M63 HydrophobicContact SD-SD 3.61Å; M58-M63 VanDerWaalsContact SD-SD 3.61Å; M63-C166 CarbonylContact O-C 3.56Å; M63-C166 WeakPolarHBondContact O-CA 3.42Å; M63-C166 WeakPolarHBondContact O-CB 3.47Å; M63-S167 PolarHBondContact N-O 3.23Å; M63-S167 PolarHBondContact O-N 3.49Å; M63-D176 HydrophobicContact CE-CB 3.71Å; M63-D176 VanDerWaalsContact CE-O 3.26Å; M63-D176 WeakPolarHBondContact CE-O 3.41Å; M63-I177 HydrophobicContact CE-CB 4.45Å; M63-I177 HydrophobicContact CE-CG1 3.95Å; M63-I177 HydrophobicContact SD-CG1 3.7Å; M63-M180 HydrophobicContact CE-CB 4.12Å; M63-M180 HydrophobicContact CE-CG 3.73Å; M63-M180 WeakPolarHBondContact O-CE 3.48Å
64	G	96.7	Very high	94.7	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	175.9	-169.6	0	0	0	0	0	114.4	L56 F57 Y165	L56-G64 CarbonylContact C-O 3.52Å; L56-G64 WeakPolarHBondContact CA-O 3.38Å; F57-G64 PolarHBondContact N-O 3.27Å; F57-G64 PolarHBondContact O-N 2.9Å; G64-Y165 CarbonylContact C-O 3.5Å; G64-Y165 WeakPolarHBondContact CA-O 3.5Å
65	F	98	Very high	94.6	Very high	3 Å²	3	21.4 Å²	21.4	1%	0.013	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	156.3	171.9	66.4	-95	0	0	0	109.7	L56 L67 Y165 M180 L183 V184 I187 F416	L56-F65 HydrophobicContact CD2-CB 3.92Å; F65-L67 HydrophobicContact CD2-CD1 4.28Å; F65-L67 HydrophobicContact CD2-CD2 4.2Å; F65-L67 HydrophobicContact CD2-CG 3.86Å; F65-L67 HydrophobicContact CE2-CD1 3.89Å; F65-L67 HydrophobicContact CE2-CG 3.94Å; F65-Y165 HydrophobicContact CD1-CD1 4.24Å; F65-Y165 AromaticContact CE1-CD1 3.61Å; F65-Y165 HydrophobicContact CE1-CD1 3.61Å; F65-Y165 AromaticContact CE1-CG 3.93Å; F65-Y165 HydrophobicContact CE1-CG 3.93Å; F65-Y165 HydrophobicContact CZ-CD1 4.27Å; F65-Y165 HydrophobicContact CZ-CG 4.12Å; F65-Y165 PolarHBondContact N-O 2.91Å; F65-Y165 PolarHBondContact O-N 3.45Å; F65-Y165 VanDerWaalsContact O-N 3.14Å; F65-M180 HydrophobicContact CD1-CE 3.82Å; F65-M180 HydrophobicContact CE1-CE 4.28Å; F65-L183 HydrophobicContact CE1-CD2 4.37Å; F65-L183 HydrophobicContact CE1-CG 4.44Å; F65-V184 HydrophobicContact CB-CG2 3.76Å; F65-V184 HydrophobicContact CD1-CG2 3.26Å; F65-V184 HydrophobicContact CD2-CG2 3.87Å; F65-V184 HydrophobicContact CE1-CG2 3.75Å; F65-V184 HydrophobicContact CE2-CG2 4.31Å; F65-V184 HydrophobicContact CG-CG2 3.35Å; F65-V184 HydrophobicContact CZ-CG2 4.26Å; F65-I187 HydrophobicContact CE1-CD1 4.36Å; F65-I187 HydrophobicContact CZ-CD1 3.64Å; F65-F416 WeakPolarHBondContact O-CE1 3.39Å
66	M	98.4	Very high	94.4	Very high	3 Å²	3	24.4 Å²	24.4	2%	0.015	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	136.4	173.9	-173.7	174.6	178.6	0	0	109.5	F57 F162 F163 V201 F206 I209 P415 F416	F57-M66 HydrophobicContact CE2-CB 4.13Å; M66-F162 HydrophobicContact CE-CB 3.55Å; M66-F162 HydrophobicContact CE-CD1 3.7Å; M66-F162 HydrophobicContact CE-CD2 4.24Å; M66-F162 HydrophobicContact CE-CE1 4.45Å; M66-F162 HydrophobicContact CE-CG 3.56Å; M66-F163 CarbonylContact C-O 3.57Å; M66-F163 VanDerWaalsContact CA-O 3.28Å; M66-F163 WeakPolarHBondContact CA-O 3.48Å; M66-V201 HydrophobicContact CB-CB 4.04Å; M66-V201 HydrophobicContact CB-CG2 4.35Å; M66-V201 HydrophobicContact CG-CB 4.1Å; M66-V201 HydrophobicContact CG-CG1 4.49Å; M66-V201 HydrophobicContact CG-CG2 3.95Å; M66-V201 PolarHBondContact O-N 2.88Å; M66-V201 HydrophobicContact SD-CG1 4.29Å; M66-F206 HydrophobicContact SD-CD2 3.79Å; M66-F206 HydrophobicContact SD-CE2 3.94Å; M66-I209 HydrophobicContact CE-CG2 3.85Å; M66-P415 HydrophobicContact CE-CG 3.97Å; M66-P415 HydrophobicContact SD-CB 4.27Å; M66-P415 HydrophobicContact SD-CG 3.91Å; M66-F416 HydrophobicContact CB-CZ 4.12Å
67	L	98.5	Very high	94.2	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	139.4	177.2	-53.6	174	0	0	0	109	F65 F162 F163 V184 I187 R188 Q199 T200	F65-L67 HydrophobicContact CD2-CD1 4.28Å; F65-L67 HydrophobicContact CD2-CD2 4.2Å; F65-L67 HydrophobicContact CD2-CG 3.86Å; F65-L67 HydrophobicContact CE2-CD1 3.89Å; F65-L67 HydrophobicContact CE2-CG 3.94Å; L67-F162 CarbonylContact O-C 3.56Å; L67-F162 WeakPolarHBondContact O-CA 3.41Å; L67-F163 HydrophobicContact CB-CB 4.33Å; L67-F163 PolarHBondContact N-O 3.2Å; L67-F163 PolarHBondContact O-N 3.29Å; L67-V184 HydrophobicContact CD2-CG1 4.46Å; L67-I187 HydrophobicContact CD1-CG2 4.32Å; L67-R188 HydrophobicContact CD1-CG 3.66Å; L67-R188 HydrophobicContact CD2-CG 4.14Å; L67-Q199 CarbonylContact C-O 3.54Å; L67-Q199 VanDerWaalsContact CA-O 3.25Å; L67-Q199 WeakPolarHBondContact CA-O 3.46Å; L67-T200 HydrophobicContact CD2-CG2 3.95Å
68	E	98.2	Very high	94	Very high	31 Å²	31	34.5 Å²	34.5	15%	0.145	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	129.2	164	-177.5	168	-151.9	0	0	108.3	R160 F162 T198 Q199 V201	E68-R160 IonicContact OE1-CZ 3.77Å; E68-R160 VanDerWaalsContact OE1-CZ 3.31Å; E68-R160 IonicContact OE1-NE 3.11Å; E68-R160 PolarHBondContact OE1-NE 3.2Å; E68-R160 IonicContact OE1-NH2 2.68Å; E68-R160 PolarHBondContact OE1-NH2 3.32Å; E68-R160 IonicContact OE2-NH2 3.25Å; E68-R160 PolarHBondContact OE2-NH2 2.86Å; E68-F162 HydrophobicContact CB-CD1 3.81Å; E68-F162 HydrophobicContact CB-CE1 3.9Å; E68-F162 HydrophobicContact CG-CD1 3.91Å; E68-F162 HydrophobicContact CG-CE1 3.64Å; E68-T198 CarbonylContact O-C 3.58Å; E68-T198 VanDerWaalsContact O-CA 3.29Å; E68-T198 WeakPolarHBondContact O-CA 3.49Å; E68-Q199 HydrophobicContact CB-CG 3.84Å; E68-Q199 PolarHBondContact N-O 2.97Å; E68-Q199 PolarHBondContact O-N 3.27Å; E68-Q199 PolarHBondContact OE2-NE2 3.38Å; E68-V201 HydrophobicContact CB-CG2 4.06Å
69	A	97	Very high	94	Very high	4 Å²	4	34.6 Å²	34.6	3%	0.033	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	141.4	-179.5	0	0	0	0	0	110.1	P71 V161 F163 I196 A197 T198	A69-P71 WeakPolarHBondContact O-CD 3.47Å; A69-V161 HydrophobicContact CB-CB 4.26Å; A69-V161 HydrophobicContact CB-CG1 4.01Å; A69-V161 PolarHBondContact N-O 3.12Å; A69-F163 HydrophobicContact CB-CD2 4.03Å; A69-F163 HydrophobicContact CB-CE2 3.77Å; A69-I196 HydrophobicContact CB-CG2 3.82Å; A69-A197 WeakPolarHBondContact CA-O 3.37Å; A69-T198 HydrophobicContact CB-CG2 3.95Å
70	I	93	Very high	94	Very high	104 Å²	104	34.7 Å²	34.7	53%	0.533	20%	0.197	S	C	.	.	P	Polyproline II helix	trans	-72.4	122.6	167.3	-65.5	175.6	0	0	0	107.4	A197	I70-A197 HydrophobicContact CD1-CB 4.12Å; I70-A197 PolarHBondContact N-O 3.38Å
71	P	93.3	Very high	94.2	Very high	26 Å²	26	36.4 Å²	36.4	17%	0.169	20%	0.203	C	C	.	.	P	Polyproline II helix	trans	-59.7	146.2	176.5	-19.1	30	0	0	0	111.4	A69 V161 L446 A448	A69-P71 WeakPolarHBondContact O-CD 3.47Å; P71-V161 HydrophobicContact CB-CG2 4.16Å; P71-V161 HydrophobicContact CG-CB 4.47Å; P71-V161 HydrophobicContact CG-CG2 3.89Å; P71-L446 WeakPolarHBondContact CA-O 3.28Å; P71-A448 HydrophobicContact CB-CB 3.65Å; P71-A448 HydrophobicContact CG-CB 4.16Å
72	I	92.1	Very high	94.4	Very high	16 Å²	16	34.9 Å²	34.9	8%	0.082	20%	0.197	C	C	.	.	B	Isolated β-bridge	trans	-89	138.2	174.8	52.2	171.4	0	0	0	109.8	G74 A75 I79 I196 L281 L446 V447 A448	I72-G74 PolarHBondContact O-N 2.89Å; I72-A75 HydrophobicContact CD1-CB 4.25Å; I72-I79 HydrophobicContact CD1-CG2 4.04Å; I72-I196 HydrophobicContact CG2-CG1 3.72Å; I72-L281 HydrophobicContact CD1-CD2 4.39Å; I72-L446 HydrophobicContact CD1-CB 4.27Å; I72-L446 HydrophobicContact CG1-CB 4.16Å; I72-L446 WeakPolarHBondContact CG1-O 3.24Å; I72-L446 PolarHBondContact N-O 3.2Å; I72-V447 HydrophobicContact CD1-CG2 4.17Å; I72-V447 HydrophobicContact CG1-CG2 4.06Å; I72-V447 WeakPolarHBondContact O-CA 3.27Å; I72-A448 CarbonylContact C-O 3.52Å; I72-A448 PolarHBondContact O-N 2.72Å; I72-A448 VanDerWaalsContact O-N 3.11Å; I72-A448 VanDerWaalsContact O-O 3.14Å
73	N	87.3	Confident	94.5	Very high	65 Å²	65	34.9 Å²	34.9	35%	0.348	20%	0.196	S	C	.	.	S	Bend	trans	-74.7	-8.7	-178.1	-64.3	-9.1	0	0	0	113.7	A448 N450	N73-A448 PolarHBondContact OD1-O 2.85Å; N73-N450 WeakPolarHBondContact ND2-CB 3.46Å; N73-N450 VanDerWaalsContact OD1-CB 3.3Å; N73-N450 WeakPolarHBondContact OD1-CB 3.34Å; N73-N450 PolarHBondContact OD1-N 3.49Å; N73-N450 VanDerWaalsContact OD1-N 3.14Å
74	G	88.3	Confident	94.6	Very high	34 Å²	34	35.5 Å²	35.5	35%	0.351	20%	0.2	S	C	.	.			trans	179.7	170.7	-178.3	0	0	0	0	0	109.8	I72	I72-G74 PolarHBondContact O-N 2.89Å
75	A	91.2	Very high	94.5	Very high	19 Å²	19	39.5 Å²	39.5	16%	0.157	22%	0.218	C	C	.	.			trans	-134.3	153.1	179.7	0	0	0	0	0	110.8	I72 L281 W282	I72-A75 HydrophobicContact CD1-CB 4.25Å; A75-L281 HydrophobicContact CB-CB 3.83Å; A75-L281 HydrophobicContact CB-CD2 3.61Å; A75-L281 HydrophobicContact CB-CG 3.59Å; A75-W282 HydrophobicContact CB-CB 4.16Å; A75-W282 HydrophobicContact CB-CE3 4.28Å
76	N	90.4	Very high	94.5	Very high	80 Å²	80	39.4 Å²	39.4	43%	0.428	22%	0.218	S	C	.	.			trans	-131.3	179.3	173	64.6	14.9	0	0	0	109.3	S78 I79 V80	N76-S78 VanDerWaalsContact C-N 3.31Å; N76-S78 PolarHBondContact ND2-OG 3.46Å; N76-S78 PolarHBondContact O-N 3.28Å; N76-S78 PolarHBondContact OD1-N 2.77Å; N76-S78 PolarHBondContact OD1-OG 2.66Å; N76-I79 PolarHBondContact O-N 3.07Å; N76-I79 WeakPolarHBondContact OD1-CG1 3.39Å; N76-I79 PolarHBondContact OD1-N 2.92Å; N76-V80 WeakPolarHBondContact O-CG2 3.44Å; N76-V80 PolarHBondContact O-N 3.04Å
77	K	92.8	Very high	94.4	Very high	140 Å²	140	39.3 Å²	39.3	61%	0.609	22%	0.217	S	C	*	.	H	α-helix	trans	-58.7	-39.7	-177.3	-161.4	-172.7	-176.2	-124.2	0	113	I79 V80 E81	K77-I79 PolarHBondContact O-N 2.96Å; K77-V80 PolarHBondContact O-N 2.94Å; K77-E81 WeakPolarHBondContact CE-OE1 3.27Å; K77-E81 HydrophobicContact CG-CG 4.42Å; K77-E81 IonicContact NZ-OE1 2.93Å; K77-E81 PolarHBondContact NZ-OE1 3.3Å; K77-E81 WeakPolarHBondContact O-CB 3.39Å; K77-E81 VanDerWaalsContact O-CG 3.32Å; K77-E81 WeakPolarHBondContact O-CG 3.04Å; K77-E81 PolarHBondContact O-N 3.04Å
78	S	93.4	Very high	94.3	Very high	71 Å²	71	41.7 Å²	41.7	50%	0.497	23%	0.226	S	C	.	.	H	α-helix	trans	-65.9	-37.5	-179.4	50.8	0	0	0	0	112.9	N76 E81 A82	N76-S78 VanDerWaalsContact C-N 3.31Å; N76-S78 PolarHBondContact ND2-OG 3.46Å; N76-S78 PolarHBondContact O-N 3.28Å; N76-S78 PolarHBondContact OD1-N 2.77Å; N76-S78 PolarHBondContact OD1-OG 2.66Å; S78-E81 PolarHBondContact O-N 3.15Å; S78-A82 WeakPolarHBondContact O-CB 3.41Å; S78-A82 PolarHBondContact O-N 3.46Å
79	I	94.8	Very high	94.1	Very high	21 Å²	21	43.4 Å²	43.4	11%	0.108	24%	0.239	C	C	.	.	H	α-helix	trans	-64.6	-44.8	175.3	-68.5	169.4	0	0	0	110	I72 N76 K77 E81 A82 L83 A194 L281	I72-I79 HydrophobicContact CD1-CG2 4.04Å; N76-I79 PolarHBondContact O-N 3.07Å; N76-I79 WeakPolarHBondContact OD1-CG1 3.39Å; N76-I79 PolarHBondContact OD1-N 2.92Å; K77-I79 PolarHBondContact O-N 2.96Å; I79-E81 PolarHBondContact O-N 3.16Å; I79-A82 PolarHBondContact O-N 3.37Å; I79-L83 HydrophobicContact CG2-CD1 4.07Å; I79-L83 WeakPolarHBondContact O-CG 3.34Å; I79-L83 PolarHBondContact O-N 2.86Å; I79-A194 HydrophobicContact CG2-CB 4.44Å; I79-L281 HydrophobicContact CG2-CD2 4.06Å
80	V	96.2	Very high	94	Very high	2 Å²	2	47.3 Å²	47.3	1%	0.012	26%	0.255	C	S	.	.	H	α-helix	trans	-62.7	-43.1	177.9	177.5	0	0	0	0	111.3	N76 K77 A82 L83 D84 L281 F438 A441 N442	N76-V80 WeakPolarHBondContact O-CG2 3.44Å; N76-V80 PolarHBondContact O-N 3.04Å; K77-V80 PolarHBondContact O-N 2.94Å; V80-A82 PolarHBondContact O-N 2.68Å; V80-L83 PolarHBondContact O-N 2.94Å; V80-D84 WeakPolarHBondContact O-CB 3.49Å; V80-D84 PolarHBondContact O-N 3.36Å; V80-L281 HydrophobicContact CG2-CB 3.86Å; V80-L281 HydrophobicContact CG2-CD2 3.96Å; V80-F438 HydrophobicContact CG1-CD2 4Å; V80-F438 HydrophobicContact CG1-CE2 3.53Å; V80-F438 HydrophobicContact CG1-CZ 3.95Å; V80-A441 HydrophobicContact CG1-CB 4.33Å; V80-N442 WeakPolarHBondContact CG1-ND2 3.24Å
81	E	95.6	Very high	94.1	Very high	85 Å²	85	42.9 Å²	42.9	40%	0.397	23%	0.233	S	C	.	.	H	α-helix	trans	-63.3	-38.9	176.7	-74.1	172.6	175	0	0	112.3	K77 S78 I79 H85	K77-E81 WeakPolarHBondContact CE-OE1 3.27Å; K77-E81 HydrophobicContact CG-CG 4.42Å; K77-E81 IonicContact NZ-OE1 2.93Å; K77-E81 PolarHBondContact NZ-OE1 3.3Å; K77-E81 WeakPolarHBondContact O-CB 3.39Å; K77-E81 VanDerWaalsContact O-CG 3.32Å; K77-E81 WeakPolarHBondContact O-CG 3.04Å; K77-E81 PolarHBondContact O-N 3.04Å; S78-E81 PolarHBondContact O-N 3.15Å; I79-E81 PolarHBondContact O-N 3.16Å; E81-H85 VanDerWaalsContact O-CB 3.29Å; E81-H85 WeakPolarHBondContact O-CB 3.41Å; E81-H85 PolarHBondContact O-N 3.04Å
82	A	96.1	Very high	94.2	Very high	27 Å²	27	43.5 Å²	43.5	22%	0.223	24%	0.237	C	C	.	.	H	α-helix	trans	-65	-42.7	175.2	0	0	0	0	0	112	S78 I79 V80 H85 M86 A194	S78-A82 WeakPolarHBondContact O-CB 3.41Å; S78-A82 PolarHBondContact O-N 3.46Å; I79-A82 PolarHBondContact O-N 3.37Å; V80-A82 PolarHBondContact O-N 2.68Å; A82-H85 PolarHBondContact O-N 3.01Å; A82-M86 PolarHBondContact O-N 3.01Å; A82-A194 HydrophobicContact CB-CB 3.89Å
83	L	97.5	Very high	94.4	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.005	25%	0.247	C	C	.	.	H	α-helix	trans	-66.9	-43.7	176.5	-68.5	171.5	0	0	0	112	I79 V80 H85 M86 L87 L191 A194 I196 L281 A441 M444 L446	I79-L83 HydrophobicContact CG2-CD1 4.07Å; I79-L83 WeakPolarHBondContact O-CG 3.34Å; I79-L83 PolarHBondContact O-N 2.86Å; V80-L83 PolarHBondContact O-N 2.94Å; L83-H85 VanDerWaalsContact C-N 3.33Å; L83-H85 PolarHBondContact O-N 3.03Å; L83-M86 HydrophobicContact CD2-CE 4.44Å; L83-M86 WeakPolarHBondContact O-CB 3.34Å; L83-M86 PolarHBondContact O-N 3.11Å; L83-L87 WeakPolarHBondContact O-CG 3.3Å; L83-L87 PolarHBondContact O-N 3.32Å; L83-L191 HydrophobicContact CD2-CD2 4.14Å; L83-A194 HydrophobicContact CD2-CB 4.1Å; L83-A194 HydrophobicContact CG-CB 4.21Å; L83-I196 HydrophobicContact CD2-CD1 4Å; L83-L281 HydrophobicContact CD1-CD2 3.56Å; L83-A441 HydrophobicContact CB-CB 4.08Å; L83-M444 HydrophobicContact CB-SD 4.34Å; L83-M444 HydrophobicContact CD1-SD 4.08Å; L83-M444 HydrophobicContact CD2-SD 4.04Å; L83-M444 HydrophobicContact CG-SD 4.39Å; L83-L446 HydrophobicContact CD1-CD1 3.72Å; L83-L446 HydrophobicContact CD2-CD1 4.12Å
84	D	97.3	Very high	94.7	Very high	13 Å²	13	46 Å²	46	7%	0.07	26%	0.257	C	S	.	.	H	α-helix	trans	-58.4	-45.8	173	169.2	65.3	0	0	0	111.2	V80 M86 L87 R88 S437 F438 A441	V80-D84 WeakPolarHBondContact O-CB 3.49Å; V80-D84 PolarHBondContact O-N 3.36Å; D84-M86 VanDerWaalsContact C-N 3.3Å; D84-M86 PolarHBondContact O-N 3.01Å; D84-L87 PolarHBondContact O-N 3.06Å; D84-R88 WeakPolarHBondContact O-CG 3.4Å; D84-R88 PolarHBondContact O-N 3.38Å; D84-R88 IonicContact OD1-NE 2.8Å; D84-R88 IonicContact OD2-CZ 3.76Å; D84-R88 IonicContact OD2-NE 2.72Å; D84-R88 PolarHBondContact OD2-NE 3.46Å; D84-R88 IonicContact OD2-NH2 3.79Å; D84-R88 PolarHBondContact OD2-NH2 3.29Å; D84-R88 VanDerWaalsContact OD2-NH2 3.1Å; D84-S437 WeakPolarHBondContact OD1-CB 3.29Å; D84-S437 PolarHBondContact OD1-OG 2.71Å; D84-F438 HydrophobicContact CB-CD2 4.4Å; D84-F438 PolarHBondContact OD1-N 3.36Å; D84-A441 HydrophobicContact CB-CB 4.36Å
85	H	96.3	Very high	95.1	Very high	85 Å²	85	46.4 Å²	46.4	39%	0.394	25%	0.251	S	S	.	.	H	α-helix	trans	-60.7	-39.3	177.2	-176.2	66.3	0	0	0	112.4	E81 A82 L83 R88 T89	E81-H85 VanDerWaalsContact O-CB 3.29Å; E81-H85 WeakPolarHBondContact O-CB 3.41Å; E81-H85 PolarHBondContact O-N 3.04Å; A82-H85 PolarHBondContact O-N 3.01Å; L83-H85 VanDerWaalsContact C-N 3.33Å; L83-H85 PolarHBondContact O-N 3.03Å; H85-R88 PolarHBondContact O-N 2.77Å; H85-T89 VanDerWaalsContact CE1-CG2 3.46Å; H85-T89 WeakPolarHBondContact CE1-CG2 3.28Å; H85-T89 PolarHBondContact CE1-OG1 2.91Å; H85-T89 PolarHBondContact NE2-OG1 3.25Å; H85-T89 WeakPolarHBondContact O-CB 3.48Å; H85-T89 PolarHBondContact O-N 2.97Å; H85-T89 PolarHBondContact O-OG1 3.02Å
86	M	96.8	Very high	95.4	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.005	25%	0.248	C	C	.	.	H	α-helix	trans	-59.6	-48.7	173.7	-176.4	-172.2	72.6	0	0	111.3	A82 L83 D84 R88 K90 L91 I187 L191 M444	A82-M86 PolarHBondContact O-N 3.01Å; L83-M86 HydrophobicContact CD2-CE 4.44Å; L83-M86 WeakPolarHBondContact O-CB 3.34Å; L83-M86 PolarHBondContact O-N 3.11Å; D84-M86 VanDerWaalsContact C-N 3.3Å; D84-M86 PolarHBondContact O-N 3.01Å; M86-R88 VanDerWaalsContact C-N 3.34Å; M86-R88 PolarHBondContact O-N 2.66Å; M86-K90 HydrophobicContact CG-CB 4.23Å; M86-K90 WeakPolarHBondContact O-CB 3.39Å; M86-K90 PolarHBondContact O-N 3.24Å; M86-L91 PolarHBondContact O-N 2.8Å; M86-I187 HydrophobicContact SD-CG2 4.5Å; M86-L191 HydrophobicContact CE-CD2 4.32Å; M86-L191 HydrophobicContact SD-CD2 4.01Å; M86-L191 HydrophobicContact SD-CG 4.13Å; M86-M444 HydrophobicContact CE-CE 4.43Å
87	L	97.5	Very high	95.8	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-59.5	-45	177.3	-65.6	-176.2	0	0	0	111.5	L83 D84 L91 R93 L308 V310 S437 V440 A441 M444	L83-L87 WeakPolarHBondContact O-CG 3.3Å; L83-L87 PolarHBondContact O-N 3.32Å; D84-L87 PolarHBondContact O-N 3.06Å; L87-L91 HydrophobicContact CD2-CD1 3.46Å; L87-L91 VanDerWaalsContact CD2-CD1 3.46Å; L87-R93 PolarHBondContact O-NH1 2.97Å; L87-L308 HydrophobicContact CD2-CD1 3.75Å; L87-L308 HydrophobicContact CD2-CD2 4.1Å; L87-V310 HydrophobicContact CB-CG2 4.36Å; L87-V310 HydrophobicContact CD2-CG2 4.48Å; L87-S437 WeakPolarHBondContact CD1-O 3.27Å; L87-V440 HydrophobicContact CD1-CB 4.46Å; L87-A441 HydrophobicContact CD1-CB 4.47Å; L87-M444 HydrophobicContact CD1-CE 3.76Å; L87-M444 HydrophobicContact CD2-CE 3.67Å; L87-M444 HydrophobicContact CG-CE 3.83Å
88	R	95.7	Very high	96	Very high	50 Å²	50	36 Å²	36	19%	0.189	20%	0.2	C	C	.	.	H	α-helix	trans	-71.4	-39.2	-176	-71.1	-171.6	-64.6	108.5	0.3	113.4	D84 H85 M86 R93 G359 Q360 S437	D84-R88 WeakPolarHBondContact O-CG 3.4Å; D84-R88 PolarHBondContact O-N 3.38Å; D84-R88 IonicContact OD1-NE 2.8Å; D84-R88 IonicContact OD2-CZ 3.76Å; D84-R88 IonicContact OD2-NE 2.72Å; D84-R88 PolarHBondContact OD2-NE 3.46Å; D84-R88 IonicContact OD2-NH2 3.79Å; D84-R88 PolarHBondContact OD2-NH2 3.29Å; D84-R88 VanDerWaalsContact OD2-NH2 3.1Å; H85-R88 PolarHBondContact O-N 2.77Å; M86-R88 VanDerWaalsContact C-N 3.34Å; M86-R88 PolarHBondContact O-N 2.66Å; R88-R93 PolarHBondContact O-NH1 2.83Å; R88-R93 PolarHBondContact O-NH2 2.9Å; R88-G359 PolarHBondContact NH1-O 3.34Å; R88-Q360 WeakPolarHBondContact CD-O 3.41Å; R88-Q360 PolarHBondContact NE-O 3.21Å; R88-S437 WeakPolarHBondContact CD-OG 3.31Å; R88-S437 VanDerWaalsContact CG-OG 3.27Å; R88-S437 WeakPolarHBondContact CG-OG 3.34Å
89	T	94.5	Very high	96.3	Very high	67 Å²	67	32.6 Å²	32.6	41%	0.411	18%	0.177	S	C	.	.	H	α-helix	trans	-116.4	-19.3	-164.8	67.6	0	0	0	0	115.4	H85	H85-T89 VanDerWaalsContact CE1-CG2 3.46Å; H85-T89 WeakPolarHBondContact CE1-CG2 3.28Å; H85-T89 PolarHBondContact CE1-OG1 2.91Å; H85-T89 PolarHBondContact NE2-OG1 3.25Å; H85-T89 WeakPolarHBondContact O-CB 3.48Å; H85-T89 PolarHBondContact O-N 2.97Å; H85-T89 PolarHBondContact O-OG1 3.02Å
90	K	94.8	Very high	96.5	Very high	86 Å²	86	31.6 Å²	31.6	37%	0.374	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.4	-28.3	-169.9	-53.5	-54.3	-179.5	-177	0	113.7	M86 I186	M86-K90 HydrophobicContact CG-CB 4.23Å; M86-K90 WeakPolarHBondContact O-CB 3.39Å; M86-K90 PolarHBondContact O-N 3.24Å; K90-I186 HydrophobicContact CB-CG2 3.71Å; K90-I186 HydrophobicContact CD-CG2 3.77Å; K90-I186 HydrophobicContact CG-CG2 3.96Å
91	L	95.4	Very high	96.6	Very high	11 Å²	11	31.5 Å²	31.5	6%	0.058	17%	0.171	C	C	.	.	S	Bend	trans	-83.4	130.5	178.8	-67	-173.3	0	0	0	112.6	M86 L87 L97 I187 L308 V310	M86-L91 PolarHBondContact O-N 2.8Å; L87-L91 HydrophobicContact CD2-CD1 3.46Å; L87-L91 VanDerWaalsContact CD2-CD1 3.46Å; L91-L97 HydrophobicContact CD1-CB 4.4Å; L91-L97 HydrophobicContact CD1-CD2 3.65Å; L91-L97 HydrophobicContact CD2-CD2 4.18Å; L91-I187 HydrophobicContact CD2-CD1 3.66Å; L91-I187 HydrophobicContact CD2-CG1 4Å; L91-L308 HydrophobicContact CD1-CD1 4.06Å; L91-V310 HydrophobicContact CB-CG2 4.29Å; L91-V310 HydrophobicContact CD1-CG2 4.26Å
92	P	94.7	Very high	96.7	Very high	40 Å²	40	27.9 Å²	27.9	26%	0.26	15%	0.154	S	C	.	.	P	Polyproline II helix	trans	-56.9	143.8	169.5	-26.9	36.5	0	0	0	112.4	I95 Y165 L183	P92-I95 HydrophobicContact CB-CD1 4.05Å; P92-Y165 WeakPolarHBondContact CG-OH 3.48Å; P92-L183 HydrophobicContact CG-CD1 4.17Å; P92-L183 HydrophobicContact CG-CD2 3.98Å
93	R	95.6	Very high	96.7	Very high	80 Å²	80	26.8 Å²	26.8	30%	0.302	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	143.9	-179	-57.7	-51.2	-164.8	-141.5	4.7	111.5	L87 R88 I95 V310 E311 S362	L87-R93 PolarHBondContact O-NH1 2.97Å; R88-R93 PolarHBondContact O-NH1 2.83Å; R88-R93 PolarHBondContact O-NH2 2.9Å; R93-I95 PolarHBondContact O-N 2.78Å; R93-V310 WeakPolarHBondContact CA-O 3.37Å; R93-E311 WeakPolarHBondContact CD-O 3.41Å; R93-S362 PolarHBondContact NH2-OG 3.09Å; R93-S362 VanDerWaalsContact NH2-OG 3.16Å
94	G	95.2	Very high	96.7	Very high	54 Å²	54	26.9 Å²	26.9	56%	0.557	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.2	-1.6	173.9	0	0	0	0	0	115.8	V309 V310	G94-V309 VanDerWaalsContact CA-CG1 3.48Å; G94-V310 PolarHBondContact N-O 3.27Å
95	I	96	Very high	96.6	Very high	42 Å²	42	26.8 Å²	26.8	22%	0.215	14%	0.144	C	C	.	.			trans	-106.9	129.6	-178.7	-54.8	178.4	0	0	0	110.3	P92 R93 Y165 C166	P92-I95 HydrophobicContact CB-CD1 4.05Å; R93-I95 PolarHBondContact O-N 2.78Å; I95-Y165 HydrophobicContact CB-CE2 4.04Å; I95-Y165 WeakPolarHBondContact CB-OH 3.2Å; I95-Y165 VanDerWaalsContact CD1-OH 3.28Å; I95-Y165 WeakPolarHBondContact CD1-OH 3.25Å; I95-Y165 HydrophobicContact CG2-CD2 4.41Å; I95-Y165 HydrophobicContact CG2-CE1 4.18Å; I95-Y165 HydrophobicContact CG2-CE2 3.55Å; I95-Y165 VanDerWaalsContact CG2-CZ 3.41Å; I95-Y165 VanDerWaalsContact CG2-OH 3.28Å; I95-Y165 WeakPolarHBondContact CG2-OH 3.43Å; I95-C166 WeakPolarHBondContact CG2-O 3.21Å
96	P	97.1	Very high	96.6	Very high	14 Å²	14	24.3 Å²	24.3	9%	0.091	13%	0.134	C	C	.	.			trans	-67.4	133.9	179.6	-21.4	33.1	0	0	0	114.1	Y165 T307 L308 V309 A418 F423	P96-Y165 WeakPolarHBondContact O-CD2 3.39Å; P96-T307 HydrophobicContact CB-CG2 4.17Å; P96-L308 WeakPolarHBondContact CA-O 3.32Å; P96-V309 HydrophobicContact CB-CG2 3.89Å; P96-V309 HydrophobicContact CG-CG2 3.66Å; P96-A418 HydrophobicContact CB-CB 3.84Å; P96-A418 HydrophobicContact CG-CB 4.31Å; P96-F423 HydrophobicContact CG-CB 3.85Å; P96-F423 HydrophobicContact CG-CD1 4.37Å; P96-F423 HydrophobicContact CG-CG 4.12Å
97	L	97.9	Very high	96.5	Very high	2 Å²	2	24.2 Å²	24.2	1%	0.01	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	132.2	161.2	177.1	68.5	0	0	0	108.3	L91 F163 Y165 L308	L91-L97 HydrophobicContact CD1-CB 4.4Å; L91-L97 HydrophobicContact CD1-CD2 3.65Å; L91-L97 HydrophobicContact CD2-CD2 4.18Å; L97-F163 HydrophobicContact CD1-CD1 4.36Å; L97-F163 HydrophobicContact CD2-CD1 4.38Å; L97-Y165 HydrophobicContact CB-CD2 4.26Å; L97-Y165 HydrophobicContact CD1-CD2 4.13Å; L97-L308 HydrophobicContact CB-CD1 4.07Å; L97-L308 HydrophobicContact CB-CG 4.3Å; L97-L308 HydrophobicContact CD2-CD1 4.46Å; L97-L308 PolarHBondContact N-O 3.04Å; L97-L308 PolarHBondContact O-N 3.47Å
98	C	98.5	Very high	96.4	Very high	4 Å²	4	24.2 Å²	24.2	3%	0.027	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	136.7	175.2	-60	0	0	0	0	110.6	H100 F163 S164 L306	C98-H100 WeakPolarHBondContact CB-NE2 3.03Å; C98-F163 CarbonylContact O-C 3.48Å; C98-F163 WeakPolarHBondContact O-CA 3.46Å; C98-S164 WeakPolarHBondContact CB-OG 3.5Å; C98-S164 PolarHBondContact N-O 3.01Å; C98-S164 PolarHBondContact O-N 3.2Å; C98-L306 CarbonylContact C-O 3.59Å; C98-L306 WeakPolarHBondContact CA-O 3.46Å
99	I	98.6	Very high	96.4	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	123.3	173.1	-49.1	175.3	0	0	0	107.1	V161 F162 F163 T305 L306 L308 M444 P445 L446	I99-V161 HydrophobicContact CG2-CG1 4.25Å; I99-F162 CarbonylContact C-O 3.48Å; I99-F162 WeakPolarHBondContact CA-O 3.41Å; I99-F163 HydrophobicContact CD1-CD1 4.33Å; I99-F163 HydrophobicContact CD1-CE1 3.71Å; I99-F163 HydrophobicContact CD1-CZ 4.32Å; I99-F163 HydrophobicContact CG1-CD1 3.83Å; I99-F163 HydrophobicContact CG1-CE1 3.7Å; I99-F163 HydrophobicContact CG1-CZ 4.42Å; I99-F163 HydrophobicContact CG2-CE1 4.34Å; I99-F163 HydrophobicContact CG2-CE2 4.47Å; I99-F163 HydrophobicContact CG2-CZ 4.26Å; I99-T305 CarbonylContact O-C 3.59Å; I99-T305 WeakPolarHBondContact O-CA 3.33Å; I99-L306 PolarHBondContact N-O 2.95Å; I99-L306 PolarHBondContact O-N 3.46Å; I99-L308 HydrophobicContact CD1-CD2 4.41Å; I99-M444 HydrophobicContact CD1-CB 4.02Å; I99-M444 HydrophobicContact CD1-CE 4.2Å; I99-M444 HydrophobicContact CD1-CG 3.73Å; I99-M444 HydrophobicContact CD1-SD 3.7Å; I99-P445 HydrophobicContact CB-CG 4.25Å; I99-P445 HydrophobicContact CG2-CG 3.9Å; I99-L446 HydrophobicContact CG2-CD2 3.75Å
100	H	98.6	Very high	96.4	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	116.8	-174.7	-46.4	-98	0	0	0	109.2	C98 V161 F162 S164 M213 I303 C413	C98-H100 WeakPolarHBondContact CB-NE2 3.03Å; H100-V161 CarbonylContact O-C 3.29Å; H100-V161 VanDerWaalsContact O-CA 3.27Å; H100-V161 WeakPolarHBondContact O-CA 3.36Å; H100-F162 HydrophobicContact CB-CB 4.36Å; H100-F162 HydrophobicContact CB-CD2 4.39Å; H100-F162 PolarHBondContact N-O 2.93Å; H100-F162 PolarHBondContact O-N 3.21Å; H100-S164 PolarHBondContact NE2-OG 3.36Å; H100-M213 HydrophobicContact CB-CE 3.99Å; H100-I303 HydrophobicContact CB-CG2 4.41Å; H100-C413 PolarHBondContact CE1-O 2.68Å; H100-C413 PolarHBondContact ND1-O 3.44Å
101	L	98.2	Very high	96.5	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	113.3	166	178.4	134.3	0	0	0	108.7	Y159 R160 V161 Y288 F302 I303 L304 P445 A448	L101-Y159 HydrophobicContact CD2-CD1 4.15Å; L101-R160 CarbonylContact C-O 3.51Å; L101-R160 WeakPolarHBondContact CA-O 3.46Å; L101-V161 HydrophobicContact CB-CG2 4.35Å; L101-V161 HydrophobicContact CD1-CG2 3.93Å; L101-V161 HydrophobicContact CG-CG2 4.38Å; L101-Y288 HydrophobicContact CD1-CE1 4.24Å; L101-Y288 HydrophobicContact CD2-CD1 4.25Å; L101-Y288 HydrophobicContact CD2-CE1 3.89Å; L101-F302 HydrophobicContact CD2-CE2 3.83Å; L101-F302 HydrophobicContact CD2-CZ 4.31Å; L101-I303 CarbonylContact O-C 3.48Å; L101-I303 WeakPolarHBondContact O-CA 3.45Å; L101-L304 HydrophobicContact CB-CB 4.37Å; L101-L304 HydrophobicContact CD2-CB 4.33Å; L101-L304 PolarHBondContact N-O 3.28Å; L101-L304 PolarHBondContact O-N 2.87Å; L101-P445 HydrophobicContact CB-CB 3.78Å; L101-P445 HydrophobicContact CB-CG 4.32Å; L101-A448 HydrophobicContact CD1-CB 4.18Å
102	M	98.1	Very high	96.4	Very high	9 Å²	9	24.4 Å²	24.4	4%	0.044	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	121.2	-176.8	-178.9	175.9	-166.3	0	0	110.1	Y159 R160 F162 E212 M213 I303	M102-Y159 CarbonylContact O-C 3.58Å; M102-Y159 VanDerWaalsContact O-CA 3.29Å; M102-Y159 WeakPolarHBondContact O-CA 3.43Å; M102-R160 PolarHBondContact N-O 3.2Å; M102-R160 PolarHBondContact O-N 2.93Å; M102-F162 HydrophobicContact CB-CE2 4.13Å; M102-F162 HydrophobicContact SD-CE2 4.23Å; M102-E212 HydrophobicContact CE-CB 3.91Å; M102-E212 HydrophobicContact CE-CG 3.39Å; M102-E212 VanDerWaalsContact CE-OE1 3.26Å; M102-E212 WeakPolarHBondContact CE-OE1 3.37Å; M102-M213 HydrophobicContact CE-CG 4Å; M102-M213 HydrophobicContact SD-CE 4.36Å; M102-M213 HydrophobicContact SD-CG 4.01Å; M102-I303 HydrophobicContact CB-CG1 4.49Å; M102-I303 HydrophobicContact CG-CG1 4.17Å
103	S	97.4	Very high	96.4	Very high	3 Å²	3	28.9 Å²	28.9	2%	0.021	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	95.1	169.9	-178.3	0	0	0	0	109.1	R157 F302	S103-R157 WeakPolarHBondContact OG-CD 3.28Å; S103-R157 WeakPolarHBondContact OG-CG 3.27Å; S103-F302 VanDerWaalsContact CB-CE1 3.48Å; S103-F302 WeakPolarHBondContact CB-O 3.41Å; S103-F302 PolarHBondContact N-O 2.78Å; S103-F302 PolarHBondContact O-N 3.16Å
104	S	96.5	Very high	96.3	Very high	4 Å²	4	25.1 Å²	25.1	3%	0.028	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	138	-177.2	177.6	0	0	0	0	112.2	L106 R157 H158 E212	S104-L106 PolarHBondContact OG-N 2.8Å; S104-R157 CarbonylContact O-C 3.55Å; S104-R157 WeakPolarHBondContact O-CA 3.33Å; S104-H158 WeakPolarHBondContact CB-O 3.4Å; S104-H158 PolarHBondContact N-O 2.92Å; S104-H158 PolarHBondContact O-N 3.12Å; S104-E212 WeakPolarHBondContact CB-OE1 3.31Å; S104-E212 PolarHBondContact OG-OE1 3.45Å
105	Q	95.4	Very high	96.1	Very high	10 Å²	10	23.3 Å²	23.3	5%	0.047	11%	0.105	C	C	.	.			trans	-90.8	-5.7	166.3	67.3	176.2	32.1	0	0	113.7	V107 N217 P218 S220 P301	Q105-V107 PolarHBondContact O-N 2.72Å; Q105-N217 PolarHBondContact NE2-O 3.06Å; Q105-P218 PolarHBondContact NE2-O 3.05Å; Q105-S220 PolarHBondContact NE2-O 2.86Å; Q105-P301 HydrophobicContact CB-CG 3.92Å; Q105-P301 HydrophobicContact CG-CG 3.99Å
106	L	96.1	Very high	95.7	Very high	33 Å²	33	25.8 Å²	25.8	17%	0.173	11%	0.112	C	C	.	.			trans	-80.6	59.9	-175.5	-55.9	-170.6	0	0	0	111.1	S104 E212 S220 L221 P223	S104-L106 PolarHBondContact OG-N 2.8Å; L106-E212 HydrophobicContact CD1-CG 3.58Å; L106-E212 HydrophobicContact CG-CG 4.35Å; L106-S220 WeakPolarHBondContact CD2-O 3.5Å; L106-L221 CarbonylContact C-O 3.53Å; L106-L221 VanDerWaalsContact C-O 3.24Å; L106-L221 VanDerWaalsContact CA-O 3.27Å; L106-L221 WeakPolarHBondContact CA-O 3.35Å; L106-P223 HydrophobicContact CD1-CB 4.45Å
107	V	95.9	Very high	94.9	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	12%	0.12	C	C	.	.			trans	-95.7	-0.8	-174.4	-64.4	0	0	0	0	113.5	Q105 D109 R110 I111 A140 L156 H158 L221 L466	Q105-V107 PolarHBondContact O-N 2.72Å; V107-D109 PolarHBondContact O-N 2.91Å; V107-R110 CarbonylContact O-C 3.55Å; V107-R110 WeakPolarHBondContact O-CA 3.14Å; V107-R110 WeakPolarHBondContact O-CB 3.25Å; V107-R110 PolarHBondContact O-N 3.29Å; V107-I111 HydrophobicContact CB-CD1 4.35Å; V107-I111 HydrophobicContact CB-CG1 4.48Å; V107-I111 HydrophobicContact CG2-CD1 3.67Å; V107-I111 HydrophobicContact CG2-CG1 4.32Å; V107-I111 WeakPolarHBondContact O-CG1 3.28Å; V107-I111 PolarHBondContact O-N 3.25Å; V107-A140 HydrophobicContact CG2-CB 3.52Å; V107-L156 HydrophobicContact CG2-CB 4.41Å; V107-H158 HydrophobicContact CG1-CB 3.84Å; V107-L221 PolarHBondContact N-O 3.38Å; V107-L466 HydrophobicContact CB-CD2 4.11Å; V107-L466 HydrophobicContact CG1-CD2 4.45Å
108	G	95.2	Very high	94.1	Very high	0 Å²	0	28 Å²	28	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-57.1	-51.2	-171.8	0	0	0	0	0	113.5	R110 I111 E112 M137 L221	G108-R110 PolarHBondContact O-N 3.46Å; G108-I111 PolarHBondContact O-N 3.46Å; G108-E112 WeakPolarHBondContact O-CG 3.37Å; G108-E112 PolarHBondContact O-N 2.66Å; G108-M137 VanDerWaalsContact CA-CE 3.48Å; G108-M137 VanDerWaalsContact O-CE 3.3Å; G108-M137 WeakPolarHBondContact O-CE 3.45Å; G108-L221 WeakPolarHBondContact CA-O 3.41Å; G108-L221 PolarHBondContact N-O 2.7Å
109	D	94.8	Very high	93.5	Very high	49 Å²	49	30 Å²	30	26%	0.262	14%	0.135	S	C	.	.	H	α-helix	trans	-59.8	-35.7	176.3	-75.8	-16.8	0	0	0	112.1	V107 Y113 Y222 P223 R225	V107-D109 PolarHBondContact O-N 2.91Å; D109-Y113 WeakPolarHBondContact O-CB 3.27Å; D109-Y113 PolarHBondContact O-N 2.95Å; D109-Y222 WeakPolarHBondContact OD1-CD1 3.44Å; D109-P223 VanDerWaalsContact OD2-CG 3.22Å; D109-P223 WeakPolarHBondContact OD2-CG 3.44Å; D109-R225 IonicContact OD1-NH2 3.55Å; D109-R225 IonicContact OD2-CZ 3.44Å; D109-R225 IonicContact OD2-NE 3.98Å; D109-R225 IonicContact OD2-NH2 2.76Å; D109-R225 PolarHBondContact OD2-NH2 2.89Å
110	R	95.1	Very high	92.9	Very high	113 Å²	113	30.3 Å²	30.3	43%	0.426	14%	0.136	S	C	.	.	H	α-helix	trans	-72.1	-39.6	179.2	-67.3	-177.5	175.1	-79.9	0.2	112.1	V107 G108 G114 H158 L466	V107-R110 CarbonylContact O-C 3.55Å; V107-R110 WeakPolarHBondContact O-CA 3.14Å; V107-R110 WeakPolarHBondContact O-CB 3.25Å; V107-R110 PolarHBondContact O-N 3.29Å; G108-R110 PolarHBondContact O-N 3.46Å; R110-G114 WeakPolarHBondContact O-CA 3.47Å; R110-G114 PolarHBondContact O-N 3.41Å; R110-H158 VanDerWaalsContact CZ-NE2 3.27Å; R110-H158 PolarHBondContact NE-CD2 2.89Å; R110-H158 VanDerWaalsContact NE-CD2 3.31Å; R110-H158 PolarHBondContact NE-NE2 3.3Å; R110-H158 PolarHBondContact NH2-CE1 3.33Å; R110-H158 PolarHBondContact NH2-NE2 3.32Å; R110-L466 HydrophobicContact CB-CD2 3.57Å
111	I	96.1	Very high	92.1	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-63.4	-48.7	174.7	-69.3	172.4	0	0	0	109.5	V107 G108 G114 L115 M137 A140 L156 L466	V107-I111 HydrophobicContact CB-CD1 4.35Å; V107-I111 HydrophobicContact CB-CG1 4.48Å; V107-I111 HydrophobicContact CG2-CD1 3.67Å; V107-I111 HydrophobicContact CG2-CG1 4.32Å; V107-I111 WeakPolarHBondContact O-CG1 3.28Å; V107-I111 PolarHBondContact O-N 3.25Å; G108-I111 PolarHBondContact O-N 3.46Å; I111-G114 PolarHBondContact O-N 3.38Å; I111-L115 HydrophobicContact CG2-CD1 3.65Å; I111-L115 HydrophobicContact CG2-CG 4.36Å; I111-L115 WeakPolarHBondContact O-CB 3.41Å; I111-L115 VanDerWaalsContact O-CG 3.26Å; I111-L115 WeakPolarHBondContact O-CG 3.35Å; I111-L115 PolarHBondContact O-N 2.83Å; I111-M137 HydrophobicContact CB-CE 3.9Å; I111-M137 HydrophobicContact CD1-SD 4.05Å; I111-M137 HydrophobicContact CG2-CE 3.92Å; I111-A140 HydrophobicContact CD1-CB 4.42Å; I111-L156 HydrophobicContact CD1-CD1 3.84Å; I111-L466 HydrophobicContact CG1-CD1 4.17Å; I111-L466 HydrophobicContact CG1-CD2 3.91Å
112	E	93.3	Very high	91.3	Very high	55 Å²	55	35.7 Å²	35.7	26%	0.257	18%	0.183	S	C	.	.	H	α-helix	trans	-62	-48.4	179.6	-67.9	-160.5	153.8	0	0	112.2	G108 G114 R133 M137 Y222 R873	G108-E112 WeakPolarHBondContact O-CG 3.37Å; G108-E112 PolarHBondContact O-N 2.66Å; E112-G114 VanDerWaalsContact C-N 3.34Å; E112-R133 IonicContact OE1-CZ 3.85Å; E112-R133 IonicContact OE1-NH1 2.98Å; E112-R133 PolarHBondContact OE1-NH1 3.07Å; E112-R133 IonicContact OE2-NH1 2.63Å; E112-M137 HydrophobicContact CG-CE 3.84Å; E112-Y222 HydrophobicContact CG-CE1 4.45Å; E112-Y222 PolarHBondContact OE1-OH 2.86Å; E112-R873 IonicContact OE1-CZ 3.76Å; E112-R873 IonicContact OE1-NH2 3.68Å; E112-R873 PolarHBondContact OE1-NH2 2.9Å; E112-R873 IonicContact OE2-NH2 3.84Å
113	Y	94.1	Very high	90.4	Very high	135 Å²	135	43.2 Å²	43.2	53%	0.529	22%	0.218	S	C	.	.	H	α-helix	trans	-62.7	-44	177.7	-178.1	-105.1	0	0	0	111.2	D109 R116 P454	D109-Y113 WeakPolarHBondContact O-CB 3.27Å; D109-Y113 PolarHBondContact O-N 2.95Å; Y113-R116 VanDerWaalsContact CG-NH1 3.31Å; Y113-R116 VanDerWaalsContact CZ-CZ 3.47Å; Y113-R116 WeakPolarHBondContact O-CB 3.28Å; Y113-R116 WeakPolarHBondContact O-CD 3.05Å; Y113-R116 WeakPolarHBondContact O-CG 3.48Å; Y113-R116 PolarHBondContact O-N 3.14Å; Y113-R116 PolarHBondContact O-NH1 2.8Å; Y113-P454 HydrophobicContact CE1-CB 3.92Å
114	G	94	Very high	89.8	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-70.2	-31.5	-174.8	0	0	0	0	0	114.2	R110 I111 E112 R116 A455 G456	R110-G114 WeakPolarHBondContact O-CA 3.47Å; R110-G114 PolarHBondContact O-N 3.41Å; I111-G114 PolarHBondContact O-N 3.38Å; E112-G114 VanDerWaalsContact C-N 3.34Å; G114-R116 VanDerWaalsContact C-N 3.31Å; G114-R116 PolarHBondContact O-N 3.32Å; G114-A455 VanDerWaalsContact O-CA 3.3Å; G114-A455 WeakPolarHBondContact O-CA 3.34Å; G114-A455 VanDerWaalsContact O-CB 3.27Å; G114-A455 WeakPolarHBondContact O-CB 3.45Å; G114-G456 PolarHBondContact O-N 2.73Å
115	L	92.3	Very high	89.4	Confident	16 Å²	16	45.8 Å²	45.8	8%	0.084	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-82.4	-2	177.2	-67	174.8	0	0	0	113.9	I111 E117 F118 S119 Y136 L458 F468	I111-L115 HydrophobicContact CG2-CD1 3.65Å; I111-L115 HydrophobicContact CG2-CG 4.36Å; I111-L115 WeakPolarHBondContact O-CB 3.41Å; I111-L115 VanDerWaalsContact O-CG 3.26Å; I111-L115 WeakPolarHBondContact O-CG 3.35Å; I111-L115 PolarHBondContact O-N 2.83Å; L115-E117 PolarHBondContact O-N 3.45Å; L115-F118 HydrophobicContact CD2-CB 4.41Å; L115-F118 CarbonylContact O-C 3.48Å; L115-F118 WeakPolarHBondContact O-CA 3.32Å; L115-F118 PolarHBondContact O-N 3.07Å; L115-S119 PolarHBondContact O-N 3.3Å; L115-S119 VanDerWaalsContact O-N 3.08Å; L115-S119 PolarHBondContact O-OG 2.81Å; L115-Y136 HydrophobicContact CD1-CD2 3.88Å; L115-Y136 HydrophobicContact CD1-CE2 4.37Å; L115-Y136 HydrophobicContact CD2-CD2 4.41Å; L115-Y136 HydrophobicContact CD2-CE2 4.16Å; L115-L458 HydrophobicContact CD2-CB 4.15Å; L115-L458 HydrophobicContact CD2-CD1 4.3Å; L115-F468 HydrophobicContact CD2-CE1 4.42Å
116	R	87.7	Confident	89	Confident	94 Å²	94	52.6 Å²	52.6	36%	0.355	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-59.2	-34.3	-177.6	79	-176.3	175.7	-89.1	-5.6	113.2	Y113 G114 F118 S119 A455	Y113-R116 VanDerWaalsContact CG-NH1 3.31Å; Y113-R116 VanDerWaalsContact CZ-CZ 3.47Å; Y113-R116 WeakPolarHBondContact O-CB 3.28Å; Y113-R116 WeakPolarHBondContact O-CD 3.05Å; Y113-R116 WeakPolarHBondContact O-CG 3.48Å; Y113-R116 PolarHBondContact O-N 3.14Å; Y113-R116 PolarHBondContact O-NH1 2.8Å; G114-R116 VanDerWaalsContact C-N 3.31Å; G114-R116 PolarHBondContact O-N 3.32Å; R116-F118 VanDerWaalsContact C-N 3.29Å; R116-S119 PolarHBondContact O-OG 3.08Å; R116-A455 VanDerWaalsContact CZ-CB 3.48Å; R116-A455 VanDerWaalsContact NH1-CB 3.3Å
117	E	78.9	Confident	88.8	Confident	55 Å²	55	56 Å²	56	26%	0.257	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-89.1	-0	179.1	-58.7	-170	-151.6	0	0	112.5	L115 A455 S503 K691	L115-E117 PolarHBondContact O-N 3.45Å; E117-A455 HydrophobicContact CG-CB 4.43Å; E117-S503 PolarHBondContact O-OG 3.4Å; E117-K691 IonicContact OE2-NZ 2.75Å; E117-K691 PolarHBondContact OE2-NZ 3.02Å; E117-K691 VanDerWaalsContact OE2-NZ 3.11Å
118	F	82.6	Confident	88.6	Confident	8 Å²	8	56 Å²	56	4%	0.035	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-117.5	10.9	177.6	-155.7	-93.6	0	0	0	111.8	L115 R116 L457 P499 R502	L115-F118 HydrophobicContact CD2-CB 4.41Å; L115-F118 CarbonylContact O-C 3.48Å; L115-F118 WeakPolarHBondContact O-CA 3.32Å; L115-F118 PolarHBondContact O-N 3.07Å; R116-F118 VanDerWaalsContact C-N 3.29Å; F118-L457 HydrophobicContact CD2-CD1 4.4Å; F118-L457 HydrophobicContact CE2-CD1 3.77Å; F118-L457 HydrophobicContact CZ-CD1 4.02Å; F118-P499 HydrophobicContact CE2-CB 3.86Å; F118-P499 WeakPolarHBondContact CE2-O 3.31Å; F118-P499 HydrophobicContact CZ-CB 3.68Å; F118-R502 PolarHBondContact O-NH2 3.34Å; F118-R502 VanDerWaalsContact O-NH2 3.16Å
119	S	85	Confident	88.5	Confident	45 Å²	45	57.4 Å²	57.4	32%	0.315	28%	0.282	S	S	.	.			trans	-70	137.3	-175.8	-65.9	0	0	0	0	111.2	L115 R116 N129	L115-S119 PolarHBondContact O-N 3.3Å; L115-S119 VanDerWaalsContact O-N 3.08Å; L115-S119 PolarHBondContact O-OG 2.81Å; R116-S119 PolarHBondContact O-OG 3.08Å; S119-N129 WeakPolarHBondContact CA-OD1 3.44Å; S119-N129 WeakPolarHBondContact CB-OD1 3.43Å
120	W	86	Confident	88.4	Confident	8 Å²	8	55.6 Å²	55.6	3%	0.03	27%	0.274	C	S	.	.			trans	-58.6	140.1	170.4	-61.9	93.9	0	0	0	110.6	A125 F128 N129 T132 R502 L818 S819 M822	W120-A125 WeakPolarHBondContact O-CB 3.48Å; W120-F128 HydrophobicContact CB-CB 3.8Å; W120-F128 HydrophobicContact CD2-CB 3.8Å; W120-F128 AromaticContact CD2-CD1 3.6Å; W120-F128 HydrophobicContact CD2-CD1 3.6Å; W120-F128 HydrophobicContact CD2-CG 4.17Å; W120-F128 AromaticContact CE2-CD1 3.76Å; W120-F128 AromaticContact CE3-CD1 3.67Å; W120-F128 HydrophobicContact CE3-CD1 3.67Å; W120-F128 HydrophobicContact CE3-CE1 4.37Å; W120-F128 HydrophobicContact CG-CB 3.43Å; W120-F128 VanDerWaalsContact CG-CB 3.43Å; W120-F128 HydrophobicContact CG-CD1 4.18Å; W120-F128 HydrophobicContact CG-CG 4.27Å; W120-F128 HydrophobicContact CH2-CD1 4.08Å; W120-F128 HydrophobicContact CH2-CE1 4.41Å; W120-F128 AromaticContact CZ2-CD1 3.98Å; W120-F128 HydrophobicContact CZ2-CD1 3.98Å; W120-F128 AromaticContact CZ3-CD1 3.93Å; W120-F128 HydrophobicContact CZ3-CD1 3.93Å; W120-F128 HydrophobicContact CZ3-CE1 4.27Å; W120-N129 VanDerWaalsContact CD1-OD1 3.27Å; W120-N129 PolarHBondContact N-ND2 3.04Å; W120-N129 PolarHBondContact N-OD1 2.78Å; W120-N129 PolarHBondContact O-ND2 3.3Å; W120-T132 PolarHBondContact NE1-OG1 3.11Å; W120-R502 VanDerWaalsContact CG-NH2 3.34Å; W120-R502 VanDerWaalsContact CZ3-CZ 3.44Å; W120-R502 VanDerWaalsContact N-NH2 3.2Å; W120-L818 HydrophobicContact CZ2-CB 4.09Å; W120-S819 WeakPolarHBondContact CZ2-OG 3.2Å; W120-M822 HydrophobicContact CE3-CE 4.43Å; W120-M822 HydrophobicContact CH2-CE 4.13Å; W120-M822 HydrophobicContact CH2-SD 3.91Å; W120-M822 HydrophobicContact CZ3-CE 3.46Å; W120-M822 VanDerWaalsContact CZ3-CE 3.46Å; W120-M822 HydrophobicContact CZ3-SD 3.53Å; W120-M822 VanDerWaalsContact CZ3-SD 3.53Å
121	S	82.2	Confident	88.4	Confident	59 Å²	59	50.2 Å²	50.2	41%	0.413	25%	0.253	S	S	.	.			trans	-108.4	170.6	174.9	65.6	0	0	0	0	111	D506 H844	S121-D506 PolarHBondContact OG-OD1 3.29Å; S121-H844 PolarHBondContact O-CE1 3.46Å
122	G	80.8	Confident	88.3	Confident	54 Å²	54	50.4 Å²	50.4	56%	0.557	26%	0.255	S	S	*	.	S	Bend	trans	89.3	-174.3	178.8	0	0	0	0	0	115.8	Q124 A125	G122-Q124 PolarHBondContact O-N 2.84Å; G122-A125 WeakPolarHBondContact O-CB 3.38Å; G122-A125 PolarHBondContact O-N 3.48Å; G122-A125 VanDerWaalsContact O-N 3.14Å
123	E	79.7	Confident	88.4	Confident	167 Å²	167	50.4 Å²	50.4	78%	0.78	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-38.7	-169.5	-173.5	178.1	178.8	0	0	114
124	Q	85.2	Confident	88.4	Confident	42 Å²	42	44 Å²	44	20%	0.196	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	12.5	-179.2	-61.3	-67.1	-26.3	0	0	113.2	G122 E126 R127 F128 H844	G122-Q124 PolarHBondContact O-N 2.84Å; Q124-E126 VanDerWaalsContact C-N 3.34Å; Q124-E126 PolarHBondContact O-N 2.8Å; Q124-R127 PolarHBondContact O-N 2.84Å; Q124-F128 HydrophobicContact CB-CD2 3.92Å; Q124-F128 HydrophobicContact CB-CE2 4Å; Q124-F128 WeakPolarHBondContact O-CD2 3.15Å; Q124-F128 PolarHBondContact O-N 3.22Å; Q124-H844 HydrophobicContact CB-CB 3.63Å; Q124-H844 HydrophobicContact CG-CB 3.69Å
125	A	86.5	Confident	88.5	Confident	19 Å²	19	44.4 Å²	44.4	16%	0.157	23%	0.229	C	C	.	.	H	α-helix	trans	-53.8	-45.9	-174.3	0	0	0	0	0	113.3	W120 G122 R127 F128 N129	W120-A125 WeakPolarHBondContact O-CB 3.48Å; G122-A125 WeakPolarHBondContact O-CB 3.38Å; G122-A125 PolarHBondContact O-N 3.48Å; G122-A125 VanDerWaalsContact O-N 3.14Å; A125-R127 PolarHBondContact O-N 3.48Å; A125-F128 PolarHBondContact O-N 3.28Å; A125-N129 WeakPolarHBondContact O-CB 3.34Å; A125-N129 PolarHBondContact O-N 2.96Å; A125-N129 PolarHBondContact O-ND2 2.83Å
126	E	88.7	Confident	88.7	Confident	153 Å²	153	44 Å²	44	72%	0.715	23%	0.226	S	C	*	.	H	α-helix	trans	-60.1	-46.4	-178	-175.7	168.9	-159.2	0	0	111.4	Q124 N129 A130	Q124-E126 VanDerWaalsContact C-N 3.34Å; Q124-E126 PolarHBondContact O-N 2.8Å; E126-N129 PolarHBondContact O-N 3.42Å; E126-A130 WeakPolarHBondContact O-CB 3.47Å; E126-A130 PolarHBondContact O-N 3.49Å
127	R	90.6	Very high	89.1	Confident	104 Å²	104	39.5 Å²	39.5	39%	0.392	21%	0.209	S	C	.	.	H	α-helix	trans	-64.1	-45.8	179.5	-169.2	-176.3	-173.3	175.8	5.2	112.2	Q124 A125 A130 I131 W848 E863	Q124-R127 PolarHBondContact O-N 2.84Å; A125-R127 PolarHBondContact O-N 3.48Å; R127-A130 WeakPolarHBondContact O-CB 3.47Å; R127-A130 PolarHBondContact O-N 2.82Å; R127-I131 PolarHBondContact O-N 3.1Å; R127-I131 VanDerWaalsContact O-N 3.16Å; R127-W848 HydrophobicContact CG-CE3 4.31Å; R127-W848 HydrophobicContact CG-CH2 3.97Å; R127-W848 HydrophobicContact CG-CZ3 3.65Å; R127-E863 IonicContact NH2-OE1 3.14Å; R127-E863 PolarHBondContact NH2-OE1 3.36Å; R127-E863 VanDerWaalsContact NH2-OE1 3.14Å
128	F	92.4	Very high	89.9	Confident	1 Å²	1	39.9 Å²	39.9	0%	0.004	21%	0.21	C	C	.	.	H	α-helix	trans	-65.7	-44.2	179.1	-85.3	-125.1	0	0	0	111.5	W120 Q124 A125 A130 I131 T132 L818 H844 V847 W848	W120-F128 HydrophobicContact CB-CB 3.8Å; W120-F128 HydrophobicContact CD2-CB 3.8Å; W120-F128 AromaticContact CD2-CD1 3.6Å; W120-F128 HydrophobicContact CD2-CD1 3.6Å; W120-F128 HydrophobicContact CD2-CG 4.17Å; W120-F128 AromaticContact CE2-CD1 3.76Å; W120-F128 AromaticContact CE3-CD1 3.67Å; W120-F128 HydrophobicContact CE3-CD1 3.67Å; W120-F128 HydrophobicContact CE3-CE1 4.37Å; W120-F128 HydrophobicContact CG-CB 3.43Å; W120-F128 VanDerWaalsContact CG-CB 3.43Å; W120-F128 HydrophobicContact CG-CD1 4.18Å; W120-F128 HydrophobicContact CG-CG 4.27Å; W120-F128 HydrophobicContact CH2-CD1 4.08Å; W120-F128 HydrophobicContact CH2-CE1 4.41Å; W120-F128 AromaticContact CZ2-CD1 3.98Å; W120-F128 HydrophobicContact CZ2-CD1 3.98Å; W120-F128 AromaticContact CZ3-CD1 3.93Å; W120-F128 HydrophobicContact CZ3-CD1 3.93Å; W120-F128 HydrophobicContact CZ3-CE1 4.27Å; Q124-F128 HydrophobicContact CB-CD2 3.92Å; Q124-F128 HydrophobicContact CB-CE2 4Å; Q124-F128 WeakPolarHBondContact O-CD2 3.15Å; Q124-F128 PolarHBondContact O-N 3.22Å; A125-F128 PolarHBondContact O-N 3.28Å; F128-A130 VanDerWaalsContact C-N 3.27Å; F128-A130 PolarHBondContact O-N 2.88Å; F128-I131 PolarHBondContact O-N 2.77Å; F128-T132 PolarHBondContact O-N 3.39Å; F128-T132 PolarHBondContact O-OG1 3.14Å; F128-L818 HydrophobicContact CB-CD1 4.05Å; F128-L818 HydrophobicContact CD1-CB 4.13Å; F128-L818 HydrophobicContact CD1-CD1 3.76Å; F128-L818 HydrophobicContact CD1-CD2 4.37Å; F128-L818 HydrophobicContact CD1-CG 4.33Å; F128-L818 HydrophobicContact CD2-CD1 4.28Å; F128-L818 HydrophobicContact CE1-CB 4.11Å; F128-L818 HydrophobicContact CE1-CD1 4.21Å; F128-L818 HydrophobicContact CE1-CD2 3.99Å; F128-L818 HydrophobicContact CE1-CG 4.35Å; F128-L818 HydrophobicContact CE2-CD2 4.39Å; F128-L818 HydrophobicContact CG-CD1 3.78Å; F128-L818 HydrophobicContact CZ-CD2 3.98Å; F128-H844 HydrophobicContact CE2-CB 3.86Å; F128-H844 HydrophobicContact CZ-CB 3.82Å; F128-H844 VanDerWaalsContact CZ-O 3.24Å; F128-H844 WeakPolarHBondContact CZ-O 3.25Å; F128-V847 HydrophobicContact CE1-CB 4.48Å; F128-V847 HydrophobicContact CE1-CG1 3.94Å; F128-V847 HydrophobicContact CZ-CB 4.32Å; F128-V847 HydrophobicContact CZ-CG1 4.14Å; F128-W848 HydrophobicContact CD2-CE3 4.16Å; F128-W848 HydrophobicContact CE2-CB 4.35Å; F128-W848 AromaticContact CE2-CE3 3.76Å; F128-W848 HydrophobicContact CE2-CE3 3.76Å; F128-W848 HydrophobicContact CZ-CB 4.4Å; F128-W848 HydrophobicContact CZ-CE3 4.43Å
129	N	92.4	Very high	90.5	Very high	28 Å²	28	39.5 Å²	39.5	15%	0.15	21%	0.209	C	C	.	.	H	α-helix	trans	-62.9	-32.5	175.6	-75.7	-46.2	0	0	0	112.8	S119 W120 A125 E126 R133	S119-N129 WeakPolarHBondContact CA-OD1 3.44Å; S119-N129 WeakPolarHBondContact CB-OD1 3.43Å; W120-N129 VanDerWaalsContact CD1-OD1 3.27Å; W120-N129 PolarHBondContact N-ND2 3.04Å; W120-N129 PolarHBondContact N-OD1 2.78Å; W120-N129 PolarHBondContact O-ND2 3.3Å; A125-N129 WeakPolarHBondContact O-CB 3.34Å; A125-N129 PolarHBondContact O-N 2.96Å; A125-N129 PolarHBondContact O-ND2 2.83Å; E126-N129 PolarHBondContact O-N 3.42Å; N129-R133 WeakPolarHBondContact O-CB 3.41Å; N129-R133 PolarHBondContact O-N 3.01Å; N129-R133 VanDerWaalsContact O-N 3.12Å
130	A	93.1	Very high	91	Very high	11 Å²	11	37.4 Å²	37.4	9%	0.091	19%	0.194	C	C	.	.	H	α-helix	trans	-65.3	-47.6	173.8	0	0	0	0	0	111	E126 R127 F128 R133 A134 L866	E126-A130 WeakPolarHBondContact O-CB 3.47Å; E126-A130 PolarHBondContact O-N 3.49Å; R127-A130 WeakPolarHBondContact O-CB 3.47Å; R127-A130 PolarHBondContact O-N 2.82Å; F128-A130 VanDerWaalsContact C-N 3.27Å; F128-A130 PolarHBondContact O-N 2.88Å; A130-R133 PolarHBondContact O-N 2.73Å; A130-A134 WeakPolarHBondContact O-CB 3.44Å; A130-A134 PolarHBondContact O-N 3.16Å; A130-L866 HydrophobicContact CB-CD1 3.88Å; A130-L866 HydrophobicContact CB-CD2 4.04Å
131	I	95.1	Very high	91.3	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.005	21%	0.207	C	C	.	.	H	α-helix	trans	-64.8	-48.3	179	-67.1	-69	0	0	0	112.3	R127 F128 R133 A134 Y135 L818 W848 M859 L862 E863 L866	R127-I131 PolarHBondContact O-N 3.1Å; R127-I131 VanDerWaalsContact O-N 3.16Å; F128-I131 PolarHBondContact O-N 2.77Å; I131-R133 VanDerWaalsContact C-N 3.26Å; I131-R133 PolarHBondContact O-N 3.13Å; I131-A134 PolarHBondContact O-N 3.06Å; I131-A134 VanDerWaalsContact O-N 3.17Å; I131-Y135 PolarHBondContact O-N 3.12Å; I131-L818 HydrophobicContact CB-CD1 3.6Å; I131-L818 HydrophobicContact CG1-CD1 4.19Å; I131-L818 HydrophobicContact CG2-CD1 3.56Å; I131-L818 HydrophobicContact CG2-CG 4.01Å; I131-W848 HydrophobicContact CD1-CH2 4.05Å; I131-W848 HydrophobicContact CG1-CH2 3.75Å; I131-W848 HydrophobicContact CG1-CZ3 3.82Å; I131-M859 HydrophobicContact CG2-SD 4.31Å; I131-L862 HydrophobicContact CD1-CB 4.06Å; I131-L862 HydrophobicContact CG2-CD1 3.89Å; I131-E863 HydrophobicContact CD1-CG 3.97Å; I131-L866 HydrophobicContact CD1-CD1 3.65Å; I131-L866 HydrophobicContact CG1-CD1 4.24Å
132	T	94.2	Very high	91.7	Very high	4 Å²	4	40 Å²	40	3%	0.025	21%	0.212	C	C	.	.	H	α-helix	trans	-59.5	-39.6	177.4	-62.2	0	0	0	0	111.1	W120 F128 Y135 Y136 D816	W120-T132 PolarHBondContact NE1-OG1 3.11Å; F128-T132 PolarHBondContact O-N 3.39Å; F128-T132 PolarHBondContact O-OG1 3.14Å; T132-Y135 WeakPolarHBondContact O-CB 3.35Å; T132-Y135 PolarHBondContact O-N 3.1Å; T132-Y136 HydrophobicContact CG2-CD2 4.2Å; T132-Y136 HydrophobicContact CG2-CE2 3.79Å; T132-Y136 WeakPolarHBondContact O-CD2 3.5Å; T132-Y136 PolarHBondContact O-N 3.43Å; T132-D816 PolarHBondContact OG1-OD2 2.68Å
133	R	94.1	Very high	92.3	Very high	54 Å²	54	41.7 Å²	41.7	20%	0.204	21%	0.205	C	C	.	.	H	α-helix	trans	-66	-46.4	174.7	-172.9	-166.8	-36.8	-135.6	-8	111.8	E112 N129 A130 I131 Y135 Y136 M137	E112-R133 IonicContact OE1-CZ 3.85Å; E112-R133 IonicContact OE1-NH1 2.98Å; E112-R133 PolarHBondContact OE1-NH1 3.07Å; E112-R133 IonicContact OE2-NH1 2.63Å; N129-R133 WeakPolarHBondContact O-CB 3.41Å; N129-R133 PolarHBondContact O-N 3.01Å; N129-R133 VanDerWaalsContact O-N 3.12Å; A130-R133 PolarHBondContact O-N 2.73Å; I131-R133 VanDerWaalsContact C-N 3.26Å; I131-R133 PolarHBondContact O-N 3.13Å; R133-Y135 PolarHBondContact O-N 3.39Å; R133-Y136 PolarHBondContact O-N 2.77Å; R133-M137 HydrophobicContact CG-CE 3.95Å; R133-M137 HydrophobicContact CG-CG 4.02Å; R133-M137 WeakPolarHBondContact O-CB 3.36Å; R133-M137 WeakPolarHBondContact O-CG 3.47Å; R133-M137 PolarHBondContact O-N 3Å
134	A	95	Very high	93	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-58.3	-38.4	177.9	0	0	0	0	0	111.6	A130 I131 Y136 M137 K138 L862 W865 L866	A130-A134 WeakPolarHBondContact O-CB 3.44Å; A130-A134 PolarHBondContact O-N 3.16Å; I131-A134 PolarHBondContact O-N 3.06Å; I131-A134 VanDerWaalsContact O-N 3.17Å; A134-Y136 PolarHBondContact O-N 2.79Å; A134-M137 PolarHBondContact O-N 3.39Å; A134-K138 WeakPolarHBondContact O-CB 3.28Å; A134-K138 PolarHBondContact O-N 3.41Å; A134-L862 HydrophobicContact CB-CD2 4.27Å; A134-W865 HydrophobicContact CB-CE3 3.68Å; A134-W865 HydrophobicContact CB-CZ3 4.13Å; A134-L866 HydrophobicContact CB-CD1 4.28Å; A134-L866 HydrophobicContact CB-CD2 3.81Å; A134-L866 HydrophobicContact CB-CG 3.74Å
135	Y	96.5	Very high	93.3	Very high	10 Å²	10	34 Å²	34	4%	0.039	17%	0.174	C	C	.	.	H	α-helix	trans	-55.9	-52.8	176.1	178.5	-102.4	0	0	0	111.9	I131 T132 R133 A139 F144 P145 F814 D816 E858 L862	I131-Y135 PolarHBondContact O-N 3.12Å; T132-Y135 WeakPolarHBondContact O-CB 3.35Å; T132-Y135 PolarHBondContact O-N 3.1Å; R133-Y135 PolarHBondContact O-N 3.39Å; Y135-A139 PolarHBondContact O-N 3.1Å; Y135-A139 VanDerWaalsContact O-N 3.17Å; Y135-F144 HydrophobicContact CE1-CD1 4.06Å; Y135-F144 AromaticContact CE1-CE1 3.84Å; Y135-F144 HydrophobicContact CE1-CE1 3.84Å; Y135-P145 HydrophobicContact CE2-CG 3.78Å; Y135-F814 HydrophobicContact CE1-CB 4.06Å; Y135-D816 HydrophobicContact CD1-CB 3.84Å; Y135-D816 HydrophobicContact CD2-CB 4.36Å; Y135-D816 HydrophobicContact CE1-CB 4.38Å; Y135-D816 HydrophobicContact CG-CB 3.83Å; Y135-E858 VanDerWaalsContact CE2-OE1 3.23Å; Y135-E858 WeakPolarHBondContact CE2-OE1 3.46Å; Y135-L862 HydrophobicContact CD2-CD1 4.32Å
136	Y	96.8	Very high	93.6	Very high	6 Å²	6	34.6 Å²	34.6	2%	0.024	17%	0.174	C	C	.	.	H	α-helix	trans	-73.1	-37.4	179.1	-64.3	-64.4	0	0	0	113.2	L115 T132 R133 A134 A139 A140 F144 L156 L458 F814	L115-Y136 HydrophobicContact CD1-CD2 3.88Å; L115-Y136 HydrophobicContact CD1-CE2 4.37Å; L115-Y136 HydrophobicContact CD2-CD2 4.41Å; L115-Y136 HydrophobicContact CD2-CE2 4.16Å; T132-Y136 HydrophobicContact CG2-CD2 4.2Å; T132-Y136 HydrophobicContact CG2-CE2 3.79Å; T132-Y136 WeakPolarHBondContact O-CD2 3.5Å; T132-Y136 PolarHBondContact O-N 3.43Å; R133-Y136 PolarHBondContact O-N 2.77Å; A134-Y136 PolarHBondContact O-N 2.79Å; Y136-A139 PolarHBondContact O-N 3.45Å; Y136-A140 PolarHBondContact O-N 3.11Å; Y136-F144 AromaticContact CD1-CE1 3.87Å; Y136-F144 HydrophobicContact CD1-CE1 3.87Å; Y136-F144 HydrophobicContact CD1-CZ 4.03Å; Y136-F144 HydrophobicContact CE1-CE1 4.12Å; Y136-F144 HydrophobicContact CE1-CZ 4.41Å; Y136-L156 HydrophobicContact CD1-CD1 4.37Å; Y136-L156 WeakPolarHBondContact O-CD1 3.45Å; Y136-L458 HydrophobicContact CD1-CD1 3.72Å; Y136-L458 HydrophobicContact CD1-CD2 4Å; Y136-L458 HydrophobicContact CD1-CG 4.39Å; Y136-L458 HydrophobicContact CD2-CD1 3.88Å; Y136-L458 HydrophobicContact CE1-CB 4.36Å; Y136-L458 HydrophobicContact CE1-CD1 4.04Å; Y136-L458 HydrophobicContact CE1-CD2 3.9Å; Y136-L458 HydrophobicContact CE1-CG 4.32Å; Y136-L458 HydrophobicContact CE2-CB 4.47Å; Y136-L458 HydrophobicContact CE2-CD1 4.17Å; Y136-L458 HydrophobicContact CG-CD1 3.64Å; Y136-F814 PolarHBondContact OH-O 2.94Å
137	M	95.3	Very high	93.5	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-64.2	-42.9	177.5	-69.5	-73.6	-177.1	0	0	111.8	G108 I111 E112 R133 A134 A139 A140 A141 L221 Y222 W865	G108-M137 VanDerWaalsContact CA-CE 3.48Å; G108-M137 VanDerWaalsContact O-CE 3.3Å; G108-M137 WeakPolarHBondContact O-CE 3.45Å; I111-M137 HydrophobicContact CB-CE 3.9Å; I111-M137 HydrophobicContact CD1-SD 4.05Å; I111-M137 HydrophobicContact CG2-CE 3.92Å; E112-M137 HydrophobicContact CG-CE 3.84Å; R133-M137 HydrophobicContact CG-CE 3.95Å; R133-M137 HydrophobicContact CG-CG 4.02Å; R133-M137 WeakPolarHBondContact O-CB 3.36Å; R133-M137 WeakPolarHBondContact O-CG 3.47Å; R133-M137 PolarHBondContact O-N 3Å; A134-M137 PolarHBondContact O-N 3.39Å; M137-A139 VanDerWaalsContact C-N 3.33Å; M137-A139 PolarHBondContact O-N 2.91Å; M137-A140 WeakPolarHBondContact O-CB 3.31Å; M137-A140 PolarHBondContact O-N 3.19Å; M137-A140 VanDerWaalsContact O-N 3.16Å; M137-A141 PolarHBondContact O-N 2.76Å; M137-L221 HydrophobicContact CB-CD1 3.99Å; M137-L221 VanDerWaalsContact O-CD1 3.27Å; M137-L221 WeakPolarHBondContact O-CD1 3.46Å; M137-L221 HydrophobicContact SD-CD1 4.12Å; M137-Y222 HydrophobicContact CE-CE1 4.22Å; M137-Y222 WeakPolarHBondContact CE-OH 3.41Å; M137-W865 HydrophobicContact CB-CH2 3.36Å; M137-W865 HydrophobicContact CB-CZ2 3.62Å; M137-W865 HydrophobicContact CB-CZ3 4.02Å; M137-W865 HydrophobicContact CG-CH2 3.94Å
138	K	95.1	Very high	93.2	Very high	63 Å²	63	33.2 Å²	33.2	27%	0.274	17%	0.174	S	C	.	.	H	α-helix	trans	-62.9	-41.9	175.4	-172.8	-177.3	172.7	-162	0	111	A134 A140 A141 T142 S861 L862 W865	A134-K138 WeakPolarHBondContact O-CB 3.28Å; A134-K138 PolarHBondContact O-N 3.41Å; K138-A140 VanDerWaalsContact C-N 3.28Å; K138-A140 PolarHBondContact O-N 3.39Å; K138-A141 PolarHBondContact O-N 2.8Å; K138-T142 PolarHBondContact O-N 3.39Å; K138-T142 PolarHBondContact O-OG1 2.92Å; K138-S861 PolarHBondContact NZ-OG 2.99Å; K138-L862 HydrophobicContact CD-CD2 4.21Å; K138-W865 HydrophobicContact CB-CG 4.42Å
139	A	95.4	Very high	92.8	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.008	22%	0.218	C	C	.	.	H	α-helix	trans	-62.1	-33.5	174.2	0	0	0	0	0	113.1	Y135 Y136 M137 T142 Q143 F144 T155	Y135-A139 PolarHBondContact O-N 3.1Å; Y135-A139 VanDerWaalsContact O-N 3.17Å; Y136-A139 PolarHBondContact O-N 3.45Å; M137-A139 VanDerWaalsContact C-N 3.33Å; M137-A139 PolarHBondContact O-N 2.91Å; A139-T142 CarbonylContact O-C 3.37Å; A139-T142 VanDerWaalsContact O-C 3.32Å; A139-Q143 PolarHBondContact O-N 2.73Å; A139-F144 HydrophobicContact CB-CD1 3.56Å; A139-F144 HydrophobicContact CB-CD2 3.88Å; A139-F144 HydrophobicContact CB-CE1 3.56Å; A139-F144 HydrophobicContact CB-CE2 3.88Å; A139-F144 HydrophobicContact CB-CG 3.73Å; A139-F144 HydrophobicContact CB-CZ 3.72Å; A139-T155 PolarHBondContact O-OG1 3.11Å
140	A	95.5	Very high	92.6	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-69.3	-39.4	173.4	0	0	0	0	0	112.9	V107 I111 Y136 M137 K138 L156 R157 L221	V107-A140 HydrophobicContact CG2-CB 3.52Å; I111-A140 HydrophobicContact CD1-CB 4.42Å; Y136-A140 PolarHBondContact O-N 3.11Å; M137-A140 WeakPolarHBondContact O-CB 3.31Å; M137-A140 PolarHBondContact O-N 3.19Å; M137-A140 VanDerWaalsContact O-N 3.16Å; K138-A140 VanDerWaalsContact C-N 3.28Å; K138-A140 PolarHBondContact O-N 3.39Å; A140-L156 HydrophobicContact CB-CB 3.92Å; A140-L156 HydrophobicContact CB-CD1 4.39Å; A140-R157 PolarHBondContact O-NH1 2.77Å; A140-L221 HydrophobicContact CB-CD2 4.14Å
141	A	92.8	Very high	92.3	Very high	38 Å²	38	44.4 Å²	44.4	31%	0.314	25%	0.252	S	S	.	.	H	α-helix	trans	-68.8	-38.3	177	0	0	0	0	0	112.5	M137 K138 L221	M137-A141 PolarHBondContact O-N 2.76Å; K138-A141 PolarHBondContact O-N 2.8Å; A141-L221 HydrophobicContact CB-CD1 4.22Å; A141-L221 HydrophobicContact CB-CD2 4.1Å
142	T	91.1	Very high	92.1	Very high	85 Å²	85	45.6 Å²	45.6	52%	0.521	26%	0.258	S	S	.	.	S	Bend	trans	-126.8	-100.4	-179.5	59.4	0	0	0	0	110	K138 A139 T155	K138-T142 PolarHBondContact O-N 3.39Å; K138-T142 PolarHBondContact O-OG1 2.92Å; A139-T142 CarbonylContact O-C 3.37Å; A139-T142 VanDerWaalsContact O-C 3.32Å; T142-T155 WeakPolarHBondContact O-CB 3.27Å; T142-T155 PolarHBondContact O-OG1 2.57Å; T142-T155 VanDerWaalsContact O-OG1 3.08Å
143	Q	92.4	Very high	92	Very high	88 Å²	88	46.1 Å²	46.1	41%	0.411	26%	0.262	S	S	.	.			trans	-153	161.4	-179.4	61.8	-173	8.2	0	0	110.7	A139 L154	A139-Q143 PolarHBondContact O-N 2.73Å; Q143-L154 CarbonylContact C-O 3.59Å; Q143-L154 WeakPolarHBondContact CA-O 3.33Å; Q143-L154 VanDerWaalsContact CB-O 3.28Å; Q143-L154 WeakPolarHBondContact CB-O 3.45Å
144	F	94.9	Very high	92.1	Very high	3 Å²	3	43.7 Å²	43.7	1%	0.013	25%	0.253	C	S	.	.			trans	-62.1	145	171.5	-76.8	-79.3	0	0	0	110.8	Y135 Y136 A139 L146 L154 L156 P460 F814	Y135-F144 HydrophobicContact CE1-CD1 4.06Å; Y135-F144 AromaticContact CE1-CE1 3.84Å; Y135-F144 HydrophobicContact CE1-CE1 3.84Å; Y136-F144 AromaticContact CD1-CE1 3.87Å; Y136-F144 HydrophobicContact CD1-CE1 3.87Å; Y136-F144 HydrophobicContact CD1-CZ 4.03Å; Y136-F144 HydrophobicContact CE1-CE1 4.12Å; Y136-F144 HydrophobicContact CE1-CZ 4.41Å; A139-F144 HydrophobicContact CB-CD1 3.56Å; A139-F144 HydrophobicContact CB-CD2 3.88Å; A139-F144 HydrophobicContact CB-CE1 3.56Å; A139-F144 HydrophobicContact CB-CE2 3.88Å; A139-F144 HydrophobicContact CB-CG 3.73Å; A139-F144 HydrophobicContact CB-CZ 3.72Å; F144-L146 PolarHBondContact O-N 3.43Å; F144-L154 HydrophobicContact CB-CB 4.47Å; F144-L154 HydrophobicContact CD2-CB 4.27Å; F144-L154 PolarHBondContact N-O 2.9Å; F144-L156 HydrophobicContact CE2-CD2 3.79Å; F144-L156 HydrophobicContact CE2-CG 3.9Å; F144-L156 HydrophobicContact CZ-CD1 4.13Å; F144-L156 HydrophobicContact CZ-CD2 3.83Å; F144-L156 HydrophobicContact CZ-CG 3.92Å; F144-P460 HydrophobicContact CE2-CG 4.2Å; F144-P460 HydrophobicContact CZ-CG 4.15Å; F144-F814 HydrophobicContact CB-CD1 3.93Å; F144-F814 HydrophobicContact CB-CE1 3.7Å; F144-F814 HydrophobicContact CB-CZ 4.22Å; F144-F814 HydrophobicContact CD1-CB 3.85Å; F144-F814 AromaticContact CD1-CD1 3.65Å; F144-F814 HydrophobicContact CD1-CD1 3.65Å; F144-F814 HydrophobicContact CD1-CD2 4.09Å; F144-F814 HydrophobicContact CD1-CE1 4.19Å; F144-F814 AromaticContact CD1-CG 3.6Å; F144-F814 HydrophobicContact CD1-CG 3.6Å; F144-F814 HydrophobicContact CD2-CD1 4.33Å; F144-F814 HydrophobicContact CD2-CD2 4.05Å; F144-F814 HydrophobicContact CD2-CE1 4.12Å; F144-F814 AromaticContact CD2-CE2 3.82Å; F144-F814 HydrophobicContact CD2-CE2 3.82Å; F144-F814 HydrophobicContact CD2-CG 4.29Å; F144-F814 AromaticContact CD2-CZ 3.87Å; F144-F814 HydrophobicContact CD2-CZ 3.87Å; F144-F814 HydrophobicContact CE1-CB 3.65Å; F144-F814 HydrophobicContact CE1-CD1 4.24Å; F144-F814 AromaticContact CE1-CD2 3.92Å; F144-F814 HydrophobicContact CE1-CD2 3.92Å; F144-F814 AromaticContact CE1-CG 3.69Å; F144-F814 HydrophobicContact CE1-CG 3.69Å; F144-F814 AromaticContact CE2-CD2 3.87Å; F144-F814 HydrophobicContact CE2-CD2 3.87Å; F144-F814 AromaticContact CE2-CE2 3.89Å; F144-F814 HydrophobicContact CE2-CE2 3.89Å; F144-F814 HydrophobicContact CE2-CG 4.36Å; F144-F814 HydrophobicContact CE2-CZ 4.41Å; F144-F814 AromaticContact CG-CD1 3.71Å; F144-F814 HydrophobicContact CG-CD1 3.71Å; F144-F814 HydrophobicContact CG-CD2 4.15Å; F144-F814 AromaticContact CG-CE1 3.74Å; F144-F814 HydrophobicContact CG-CE1 3.74Å; F144-F814 HydrophobicContact CG-CE2 4.18Å; F144-F814 AromaticContact CG-CG 3.92Å; F144-F814 HydrophobicContact CG-CG 3.92Å; F144-F814 AromaticContact CG-CZ 3.99Å; F144-F814 HydrophobicContact CG-CZ 3.99Å; F144-F814 HydrophobicContact CZ-CB 4.3Å; F144-F814 AromaticContact CZ-CD2 3.8Å; F144-F814 HydrophobicContact CZ-CD2 3.8Å; F144-F814 HydrophobicContact CZ-CE2 4.31Å; F144-F814 HydrophobicContact CZ-CG 4.08Å
145	P	91.4	Very high	92.1	Very high	46 Å²	46	43.7 Å²	43.7	30%	0.299	25%	0.253	S	S	.	.			trans	-66.3	133.8	172.1	27.8	-32.2	0	0	0	110	Y135	Y135-P145 HydrophobicContact CE2-CG 3.78Å
146	L	92	Very high	92.2	Very high	30 Å²	30	43.2 Å²	43.2	16%	0.157	25%	0.251	C	S	.	.			trans	-127	157.5	-179.1	-65.8	175.6	0	0	0	110.8	F144 M150 L152 L154 F797	F144-L146 PolarHBondContact O-N 3.43Å; L146-M150 HydrophobicContact CB-CB 4.38Å; L146-M150 HydrophobicContact CD1-CG 4.28Å; L146-M150 HydrophobicContact CD2-SD 4.37Å; L146-L152 HydrophobicContact CD1-CB 3.8Å; L146-L152 WeakPolarHBondContact CD1-O 3.46Å; L146-L154 HydrophobicContact CD1-CD1 4.26Å; L146-L154 HydrophobicContact CD1-CG 4.38Å; L146-L154 HydrophobicContact CD2-CD1 4Å; L146-F797 HydrophobicContact CD2-CD1 4.04Å; L146-F797 HydrophobicContact CD2-CE1 3.88Å
147	P	87.6	Confident	92.1	Very high	23 Å²	23	43.3 Å²	43.3	15%	0.149	25%	0.251	C	S	.	.			trans	-58.2	154.2	172.8	-18.6	27.8	0	0	0	112.8	G149 M150 D794 W796	P147-G149 PolarHBondContact O-N 3.34Å; P147-M150 WeakPolarHBondContact O-CB 3.46Å; P147-M150 PolarHBondContact O-N 3.05Å; P147-M150 VanDerWaalsContact O-N 3.09Å; P147-D794 WeakPolarHBondContact CG-O 3.5Å; P147-W796 HydrophobicContact CG-CB 4.34Å; P147-W796 HydrophobicContact CG-CD2 3.76Å; P147-W796 HydrophobicContact CG-CE3 4.42Å; P147-W796 HydrophobicContact CG-CG 3.68Å
148	E	84.6	Confident	92.2	Very high	206 Å²	206	44.2 Å²	44.2	96%	0.963	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	136	173.2	-69.1	-176.3	178.3	0	0	111.6	M150	E148-M150 VanDerWaalsContact C-N 3.28Å; E148-M150 PolarHBondContact O-N 3.47Å
149	G	83.9	Confident	92.3	Very high	90 Å²	90	41.4 Å²	41.4	93%	0.928	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	84.1	-10.3	-176.8	0	0	0	0	0	115	P147	P147-G149 PolarHBondContact O-N 3.34Å
150	M	87.7	Confident	92.4	Very high	51 Å²	51	43.2 Å²	43.2	25%	0.251	25%	0.25	S	S	.	.			trans	-98	104.6	173.6	-170.9	170.6	-64.9	0	0	110.8	L146 P147 E148 L152 Q795 F797	L146-M150 HydrophobicContact CB-CB 4.38Å; L146-M150 HydrophobicContact CD1-CG 4.28Å; L146-M150 HydrophobicContact CD2-SD 4.37Å; P147-M150 WeakPolarHBondContact O-CB 3.46Å; P147-M150 PolarHBondContact O-N 3.05Å; P147-M150 VanDerWaalsContact O-N 3.09Å; E148-M150 VanDerWaalsContact C-N 3.28Å; E148-M150 PolarHBondContact O-N 3.47Å; M150-L152 HydrophobicContact CG-CD1 3.96Å; M150-L152 HydrophobicContact CG-CG 3.94Å; M150-L152 HydrophobicContact SD-CD1 3.85Å; M150-L152 HydrophobicContact SD-CG 4.49Å; M150-Q795 HydrophobicContact CE-CB 4.15Å; M150-Q795 HydrophobicContact CE-CG 3.85Å; M150-Q795 HydrophobicContact SD-CB 4.29Å; M150-F797 HydrophobicContact SD-CE1 4.27Å
151	N	86.4	Confident	92.5	Very high	133 Å²	133	43.2 Å²	43.2	71%	0.711	25%	0.25	S	S	*	.			trans	-107.7	88	175.8	-167.6	19	0	0	0	110.1
152	L	91.8	Very high	92.8	Very high	26 Å²	26	41.4 Å²	41.4	14%	0.136	24%	0.235	C	C	.	.			trans	-117.4	135.6	176.4	-64.4	176.3	0	0	0	110.1	L146 M150 L154 P294 E295 F797	L146-L152 HydrophobicContact CD1-CB 3.8Å; L146-L152 WeakPolarHBondContact CD1-O 3.46Å; M150-L152 HydrophobicContact CG-CD1 3.96Å; M150-L152 HydrophobicContact CG-CG 3.94Å; M150-L152 HydrophobicContact SD-CD1 3.85Å; M150-L152 HydrophobicContact SD-CG 4.49Å; L152-L154 HydrophobicContact CB-CD1 4.07Å; L152-L154 HydrophobicContact CB-CD2 3.9Å; L152-L154 HydrophobicContact CB-CG 3.66Å; L152-L154 HydrophobicContact CD1-CD1 4.21Å; L152-L154 PolarHBondContact O-N 3.2Å; L152-P294 HydrophobicContact CD2-CB 4.37Å; L152-E295 HydrophobicContact CD2-CB 4.36Å; L152-F797 HydrophobicContact CD1-CZ 4.37Å
153	P	92.5	Very high	93.1	Very high	16 Å²	16	37.4 Å²	37.4	10%	0.104	21%	0.21	C	C	.	.			trans	-76.7	57.7	-178.4	31.8	-37.1	0	0	0	112.7	P294 N464	P153-P294 WeakPolarHBondContact CG-O 3.49Å; P153-N464 PolarHBondContact O-ND2 2.94Å
154	L	95.1	Very high	93.4	Very high	2 Å²	2	33.2 Å²	33.2	1%	0.01	19%	0.191	C	C	.	.			trans	-89.5	112.2	-174.1	-50.7	-171.6	0	0	0	110.1	Q143 F144 L146 L152 F797 F814	Q143-L154 CarbonylContact C-O 3.59Å; Q143-L154 WeakPolarHBondContact CA-O 3.33Å; Q143-L154 VanDerWaalsContact CB-O 3.28Å; Q143-L154 WeakPolarHBondContact CB-O 3.45Å; F144-L154 HydrophobicContact CB-CB 4.47Å; F144-L154 HydrophobicContact CD2-CB 4.27Å; F144-L154 PolarHBondContact N-O 2.9Å; L146-L154 HydrophobicContact CD1-CD1 4.26Å; L146-L154 HydrophobicContact CD1-CG 4.38Å; L146-L154 HydrophobicContact CD2-CD1 4Å; L152-L154 HydrophobicContact CB-CD1 4.07Å; L152-L154 HydrophobicContact CB-CD2 3.9Å; L152-L154 HydrophobicContact CB-CG 3.66Å; L152-L154 HydrophobicContact CD1-CD1 4.21Å; L152-L154 PolarHBondContact O-N 3.2Å; L154-F797 HydrophobicContact CD1-CD1 4.17Å; L154-F797 HydrophobicContact CD1-CE1 3.61Å; L154-F797 HydrophobicContact CD1-CZ 3.97Å; L154-F814 HydrophobicContact CB-CZ 4.19Å; L154-F814 HydrophobicContact CD1-CE1 4.17Å; L154-F814 HydrophobicContact CD1-CZ 3.7Å
155	T	95.6	Very high	93.5	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.191	C	C	.	.			trans	-141.4	-172.3	-175.8	-172.7	0	0	0	0	110.5	A139 T142 R157 N464	A139-T155 PolarHBondContact O-OG1 3.11Å; T142-T155 WeakPolarHBondContact O-CB 3.27Å; T142-T155 PolarHBondContact O-OG1 2.57Å; T142-T155 VanDerWaalsContact O-OG1 3.08Å; T155-R157 HydrophobicContact CG2-CG 4.12Å; T155-R157 PolarHBondContact OG1-NH1 2.82Å; T155-R157 VanDerWaalsContact OG1-NH1 3.15Å; T155-R157 PolarHBondContact OG1-NH2 2.58Å; T155-N464 HydrophobicContact CG2-CB 4.12Å; T155-N464 PolarHBondContact N-OD1 3.15Å; T155-N464 VanDerWaalsContact O-CB 3.31Å; T155-N464 WeakPolarHBondContact O-CB 3.29Å; T155-N464 PolarHBondContact O-OD1 3.46Å
156	L	97.5	Very high	93.8	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	18%	0.178	C	C	.	.			trans	-118.8	123.6	174.9	-62.1	177.5	0	0	0	110.5	V107 I111 Y136 A140 F144 L458 P460 L466	V107-L156 HydrophobicContact CG2-CB 4.41Å; I111-L156 HydrophobicContact CD1-CD1 3.84Å; Y136-L156 HydrophobicContact CD1-CD1 4.37Å; Y136-L156 WeakPolarHBondContact O-CD1 3.45Å; A140-L156 HydrophobicContact CB-CB 3.92Å; A140-L156 HydrophobicContact CB-CD1 4.39Å; F144-L156 HydrophobicContact CE2-CD2 3.79Å; F144-L156 HydrophobicContact CE2-CG 3.9Å; F144-L156 HydrophobicContact CZ-CD1 4.13Å; F144-L156 HydrophobicContact CZ-CD2 3.83Å; F144-L156 HydrophobicContact CZ-CG 3.92Å; L156-L458 HydrophobicContact CD2-CD2 4.27Å; L156-P460 HydrophobicContact CD2-CB 3.77Å; L156-P460 HydrophobicContact CD2-CG 3.26Å; L156-L466 HydrophobicContact CD1-CD1 4.35Å; L156-L466 HydrophobicContact CD2-CD1 4.21Å
157	R	96.3	Very high	93.8	Very high	8 Å²	8	30.8 Å²	30.8	3%	0.03	18%	0.177	C	C	.	.	B	Isolated β-bridge	trans	-130.1	162.6	177.9	-62.3	-66.3	171.7	-108.2	5.8	110.9	S103 S104 A140 T155 Y159 S299 N464 Q465 L466	S103-R157 WeakPolarHBondContact OG-CD 3.28Å; S103-R157 WeakPolarHBondContact OG-CG 3.27Å; S104-R157 CarbonylContact O-C 3.55Å; S104-R157 WeakPolarHBondContact O-CA 3.33Å; A140-R157 PolarHBondContact O-NH1 2.77Å; T155-R157 HydrophobicContact CG2-CG 4.12Å; T155-R157 PolarHBondContact OG1-NH1 2.82Å; T155-R157 VanDerWaalsContact OG1-NH1 3.15Å; T155-R157 PolarHBondContact OG1-NH2 2.58Å; R157-Y159 HydrophobicContact CB-CE2 4.41Å; R157-S299 VanDerWaalsContact CZ-O 3.29Å; R157-S299 PolarHBondContact NE-O 2.63Å; R157-S299 VanDerWaalsContact NE-O 3.15Å; R157-S299 PolarHBondContact NH2-O 3.26Å; R157-N464 PolarHBondContact N-O 2.87Å; R157-Q465 WeakPolarHBondContact O-CA 3.27Å; R157-Q465 PolarHBondContact O-OE1 3.35Å; R157-L466 PolarHBondContact O-N 3.48Å
158	H	96.7	Very high	94.1	Very high	20 Å²	20	34.4 Å²	34.4	9%	0.093	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	108	168.1	-179.2	48.5	0	0	0	110.3	S104 V107 R110 R160 Q465	S104-H158 WeakPolarHBondContact CB-O 3.4Å; S104-H158 PolarHBondContact N-O 2.92Å; S104-H158 PolarHBondContact O-N 3.12Å; V107-H158 HydrophobicContact CG1-CB 3.84Å; R110-H158 VanDerWaalsContact CZ-NE2 3.27Å; R110-H158 PolarHBondContact NE-CD2 2.89Å; R110-H158 VanDerWaalsContact NE-CD2 3.31Å; R110-H158 PolarHBondContact NE-NE2 3.3Å; R110-H158 PolarHBondContact NH2-CE1 3.33Å; R110-H158 PolarHBondContact NH2-NE2 3.32Å; H158-R160 WeakPolarHBondContact NE2-CG 3.3Å; H158-Q465 PolarHBondContact ND1-NE2 2.77Å
159	Y	97.2	Very high	94.4	Very high	3 Å²	3	24.9 Å²	24.9	1%	0.012	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	128.5	175.8	-60.8	-70.1	0	0	0	111.4	L101 M102 R157 Y288 F302 A448 R463 Q465	L101-Y159 HydrophobicContact CD2-CD1 4.15Å; M102-Y159 CarbonylContact O-C 3.58Å; M102-Y159 VanDerWaalsContact O-CA 3.29Å; M102-Y159 WeakPolarHBondContact O-CA 3.43Å; R157-Y159 HydrophobicContact CB-CE2 4.41Å; Y159-Y288 HydrophobicContact CD1-CE2 4.45Å; Y159-Y288 HydrophobicContact CE1-CD2 4.17Å; Y159-Y288 AromaticContact CE1-CE2 3.8Å; Y159-Y288 HydrophobicContact CE1-CE2 3.8Å; Y159-Y288 HydrophobicContact CE2-CE2 4.45Å; Y159-Y288 AromaticContact CZ-CE2 3.82Å; Y159-F302 HydrophobicContact CE1-CE1 4.42Å; Y159-F302 HydrophobicContact CE1-CZ 4.04Å; Y159-A448 HydrophobicContact CD2-CB 4.23Å; Y159-A448 HydrophobicContact CG-CB 3.99Å; Y159-R463 HydrophobicContact CE2-CB 4.49Å; Y159-R463 WeakPolarHBondContact CE2-O 3.28Å; Y159-R463 PolarHBondContact OH-O 2.98Å; Y159-Q465 HydrophobicContact CD2-CB 4Å; Y159-Q465 HydrophobicContact CE2-CB 4.17Å
160	R	96.9	Very high	94.1	Very high	40 Å²	40	29.8 Å²	29.8	15%	0.151	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	141.4	176.6	-58.1	174.7	71.6	-169.2	0.7	109.2	E68 L101 M102 H158 F162 E212	E68-R160 IonicContact OE1-CZ 3.77Å; E68-R160 VanDerWaalsContact OE1-CZ 3.31Å; E68-R160 IonicContact OE1-NE 3.11Å; E68-R160 PolarHBondContact OE1-NE 3.2Å; E68-R160 IonicContact OE1-NH2 2.68Å; E68-R160 PolarHBondContact OE1-NH2 3.32Å; E68-R160 IonicContact OE2-NH2 3.25Å; E68-R160 PolarHBondContact OE2-NH2 2.86Å; L101-R160 CarbonylContact C-O 3.51Å; L101-R160 WeakPolarHBondContact CA-O 3.46Å; M102-R160 PolarHBondContact N-O 3.2Å; M102-R160 PolarHBondContact O-N 2.93Å; H158-R160 WeakPolarHBondContact NE2-CG 3.3Å; R160-F162 HydrophobicContact CB-CE2 3.74Å; R160-F162 HydrophobicContact CB-CZ 3.66Å; R160-F162 HydrophobicContact CG-CZ 4.49Å; R160-E212 IonicContact NH1-OE2 3.01Å
161	V	98	Very high	93.8	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	132.8	179.1	174.2	0	0	0	0	109.5	A69 P71 I99 H100 L101 F163 L446	A69-V161 HydrophobicContact CB-CB 4.26Å; A69-V161 HydrophobicContact CB-CG1 4.01Å; A69-V161 PolarHBondContact N-O 3.12Å; P71-V161 HydrophobicContact CB-CG2 4.16Å; P71-V161 HydrophobicContact CG-CB 4.47Å; P71-V161 HydrophobicContact CG-CG2 3.89Å; I99-V161 HydrophobicContact CG2-CG1 4.25Å; H100-V161 CarbonylContact O-C 3.29Å; H100-V161 VanDerWaalsContact O-CA 3.27Å; H100-V161 WeakPolarHBondContact O-CA 3.36Å; L101-V161 HydrophobicContact CB-CG2 4.35Å; L101-V161 HydrophobicContact CD1-CG2 3.93Å; L101-V161 HydrophobicContact CG-CG2 4.38Å; V161-F163 HydrophobicContact CG1-CE2 4.13Å; V161-L446 HydrophobicContact CG1-CD2 3.78Å
162	F	98.5	Very high	93.7	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	144.8	177.9	-49.5	-79.2	0	0	0	111.7	M66 L67 E68 I99 H100 M102 R160 I209 M213	M66-F162 HydrophobicContact CE-CB 3.55Å; M66-F162 HydrophobicContact CE-CD1 3.7Å; M66-F162 HydrophobicContact CE-CD2 4.24Å; M66-F162 HydrophobicContact CE-CE1 4.45Å; M66-F162 HydrophobicContact CE-CG 3.56Å; L67-F162 CarbonylContact O-C 3.56Å; L67-F162 WeakPolarHBondContact O-CA 3.41Å; E68-F162 HydrophobicContact CB-CD1 3.81Å; E68-F162 HydrophobicContact CB-CE1 3.9Å; E68-F162 HydrophobicContact CG-CD1 3.91Å; E68-F162 HydrophobicContact CG-CE1 3.64Å; I99-F162 CarbonylContact C-O 3.48Å; I99-F162 WeakPolarHBondContact CA-O 3.41Å; H100-F162 HydrophobicContact CB-CB 4.36Å; H100-F162 HydrophobicContact CB-CD2 4.39Å; H100-F162 PolarHBondContact N-O 2.93Å; H100-F162 PolarHBondContact O-N 3.21Å; M102-F162 HydrophobicContact CB-CE2 4.13Å; M102-F162 HydrophobicContact SD-CE2 4.23Å; R160-F162 HydrophobicContact CB-CE2 3.74Å; R160-F162 HydrophobicContact CB-CZ 3.66Å; R160-F162 HydrophobicContact CG-CZ 4.49Å; F162-I209 HydrophobicContact CD1-CD1 4.23Å; F162-I209 HydrophobicContact CD2-CG2 4.41Å; F162-I209 HydrophobicContact CE1-CD1 3.52Å; F162-I209 HydrophobicContact CE1-CG1 4.02Å; F162-I209 HydrophobicContact CE1-CG2 4.04Å; F162-I209 HydrophobicContact CE2-CG2 3.89Å; F162-I209 HydrophobicContact CZ-CD1 4.06Å; F162-I209 HydrophobicContact CZ-CG1 4.02Å; F162-I209 HydrophobicContact CZ-CG2 3.67Å; F162-M213 HydrophobicContact CD2-CE 4.39Å
163	F	98.4	Very high	93.6	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	127.8	167	-70.2	-105.3	0	0	0	108.2	M66 L67 A69 L97 C98 I99 V161 L191 L446	M66-F163 CarbonylContact C-O 3.57Å; M66-F163 VanDerWaalsContact CA-O 3.28Å; M66-F163 WeakPolarHBondContact CA-O 3.48Å; L67-F163 HydrophobicContact CB-CB 4.33Å; L67-F163 PolarHBondContact N-O 3.2Å; L67-F163 PolarHBondContact O-N 3.29Å; A69-F163 HydrophobicContact CB-CD2 4.03Å; A69-F163 HydrophobicContact CB-CE2 3.77Å; L97-F163 HydrophobicContact CD1-CD1 4.36Å; L97-F163 HydrophobicContact CD2-CD1 4.38Å; C98-F163 CarbonylContact O-C 3.48Å; C98-F163 WeakPolarHBondContact O-CA 3.46Å; I99-F163 HydrophobicContact CD1-CD1 4.33Å; I99-F163 HydrophobicContact CD1-CE1 3.71Å; I99-F163 HydrophobicContact CD1-CZ 4.32Å; I99-F163 HydrophobicContact CG1-CD1 3.83Å; I99-F163 HydrophobicContact CG1-CE1 3.7Å; I99-F163 HydrophobicContact CG1-CZ 4.42Å; I99-F163 HydrophobicContact CG2-CE1 4.34Å; I99-F163 HydrophobicContact CG2-CE2 4.47Å; I99-F163 HydrophobicContact CG2-CZ 4.26Å; V161-F163 HydrophobicContact CG1-CE2 4.13Å; F163-L191 HydrophobicContact CD1-CD1 4.37Å; F163-L191 HydrophobicContact CD2-CD1 4.2Å; F163-L191 HydrophobicContact CE1-CD1 4.19Å; F163-L191 HydrophobicContact CE1-CD2 3.96Å; F163-L191 HydrophobicContact CE2-CD1 4.03Å; F163-L191 HydrophobicContact CE2-CD2 4.3Å; F163-L191 HydrophobicContact CG-CD1 4.37Å; F163-L191 HydrophobicContact CZ-CD1 4Å; F163-L191 HydrophobicContact CZ-CD2 3.62Å; F163-L446 HydrophobicContact CE2-CD2 3.8Å; F163-L446 HydrophobicContact CZ-CD2 3.48Å; F163-L446 VanDerWaalsContact CZ-CD2 3.48Å
164	S	98.1	Very high	93.5	Very high	1 Å²	1	44 Å²	44	1%	0.007	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	135.8	171.4	74.2	0	0	0	0	110.7	C98 H100	C98-S164 WeakPolarHBondContact CB-OG 3.5Å; C98-S164 PolarHBondContact N-O 3.01Å; C98-S164 PolarHBondContact O-N 3.2Å; H100-S164 PolarHBondContact NE2-OG 3.36Å
165	Y	97.8	Very high	93.3	Very high	5 Å²	5	47.1 Å²	47.1	2%	0.02	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	135.8	-178.5	179.5	-85.5	0	0	0	109.4	G64 F65 P92 I95 P96 L97 M180 L183 F416	G64-Y165 CarbonylContact C-O 3.5Å; G64-Y165 WeakPolarHBondContact CA-O 3.5Å; F65-Y165 HydrophobicContact CD1-CD1 4.24Å; F65-Y165 AromaticContact CE1-CD1 3.61Å; F65-Y165 HydrophobicContact CE1-CD1 3.61Å; F65-Y165 AromaticContact CE1-CG 3.93Å; F65-Y165 HydrophobicContact CE1-CG 3.93Å; F65-Y165 HydrophobicContact CZ-CD1 4.27Å; F65-Y165 HydrophobicContact CZ-CG 4.12Å; F65-Y165 PolarHBondContact N-O 2.91Å; F65-Y165 PolarHBondContact O-N 3.45Å; F65-Y165 VanDerWaalsContact O-N 3.14Å; P92-Y165 WeakPolarHBondContact CG-OH 3.48Å; I95-Y165 HydrophobicContact CB-CE2 4.04Å; I95-Y165 WeakPolarHBondContact CB-OH 3.2Å; I95-Y165 VanDerWaalsContact CD1-OH 3.28Å; I95-Y165 WeakPolarHBondContact CD1-OH 3.25Å; I95-Y165 HydrophobicContact CG2-CD2 4.41Å; I95-Y165 HydrophobicContact CG2-CE1 4.18Å; I95-Y165 HydrophobicContact CG2-CE2 3.55Å; I95-Y165 VanDerWaalsContact CG2-CZ 3.41Å; I95-Y165 VanDerWaalsContact CG2-OH 3.28Å; I95-Y165 WeakPolarHBondContact CG2-OH 3.43Å; P96-Y165 WeakPolarHBondContact O-CD2 3.39Å; L97-Y165 HydrophobicContact CB-CD2 4.26Å; L97-Y165 HydrophobicContact CD1-CD2 4.13Å; Y165-M180 HydrophobicContact CD1-CE 3.83Å; Y165-M180 HydrophobicContact CD1-SD 4.21Å; Y165-M180 HydrophobicContact CE1-CE 3.99Å; Y165-M180 HydrophobicContact CE1-SD 3.8Å; Y165-L183 HydrophobicContact CD1-CD2 4.03Å; Y165-L183 HydrophobicContact CE1-CD2 3.42Å; Y165-L183 VanDerWaalsContact CE1-CD2 3.42Å; Y165-L183 HydrophobicContact CE2-CD2 4.4Å; Y165-F416 WeakPolarHBondContact O-CE1 3.3Å
166	C	96.5	Very high	93.1	Very high	2 Å²	2	49.4 Å²	49.4	1%	0.014	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	147.4	170	65.2	0	0	0	0	111.9	M63 I95 F416	M63-C166 CarbonylContact O-C 3.56Å; M63-C166 WeakPolarHBondContact O-CA 3.42Å; M63-C166 WeakPolarHBondContact O-CB 3.47Å; I95-C166 WeakPolarHBondContact CG2-O 3.21Å; C166-F416 HydrophobicContact CB-CB 4.32Å; C166-F416 HydrophobicContact CB-CD1 3.7Å; C166-F416 HydrophobicContact CB-CE1 4.42Å; C166-F416 HydrophobicContact CB-CG 4.29Å; C166-F416 PolarHBondContact SG-O 3.46Å; C166-F416 VanDerWaalsContact SG-O 3.38Å
167	S	93.7	Very high	92.9	Very high	20 Å²	20	51 Å²	51	14%	0.14	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	148.8	176.4	61.1	0	0	0	0	110.3	T62 M63 S169	T62-S167 CarbonylContact C-O 3.59Å; T62-S167 WeakPolarHBondContact CA-O 3.34Å; T62-S167 WeakPolarHBondContact CB-O 3.35Å; M63-S167 PolarHBondContact N-O 3.23Å; M63-S167 PolarHBondContact O-N 3.49Å; S167-S169 PolarHBondContact O-N 3.36Å
168	P	92.3	Very high	92.8	Very high	100 Å²	100	55.2 Å²	55.2	65%	0.649	27%	0.272	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.9	122.4	172.6	-23.5	34.4	0	0	0	111.2
169	S	90.9	Very high	92.7	Very high	5 Å²	5	60.6 Å²	60.6	4%	0.035	30%	0.297	C	S	.	.			trans	-149.8	105.3	171.9	178.3	0	0	0	0	109.5	T61 S167 K172 D176	T61-S169 PolarHBondContact O-N 2.98Å; T61-S169 VanDerWaalsContact O-N 3.14Å; S167-S169 PolarHBondContact O-N 3.36Å; S169-K172 VanDerWaalsContact OG-CA 3.27Å; S169-K172 WeakPolarHBondContact OG-CA 3.43Å; S169-K172 PolarHBondContact OG-N 2.95Å; S169-D176 PolarHBondContact OG-OD2 3.09Å
170	K	78	Confident	92.6	Very high	194 Å²	194	60.8 Å²	60.8	84%	0.843	30%	0.298	S	S	*	.	S	Bend	trans	-81.2	-38.7	176.2	-70.1	-172.5	178.1	-176.9	0	112.3
171	K	82	Confident	92.5	Very high	191 Å²	191	61.3 Å²	61.3	83%	0.83	30%	0.302	S	S	*	.	S	Bend	trans	-83.5	-19.8	-176.9	-69.5	-173.1	179.3	-178.6	0	112.6	S173	K171-S173 PolarHBondContact O-N 2.83Å
172	K	84.7	Confident	92.5	Very high	67 Å²	67	64.8 Å²	64.8	29%	0.291	32%	0.321	S	S	.	.			trans	46.9	49.1	-175.7	-61.5	173.2	177.9	174.3	0	110.3	M58 N59 S169	M58-K172 HydrophobicContact CB-CD 4.28Å; M58-K172 PolarHBondContact O-NZ 3.33Å; M58-K172 HydrophobicContact SD-CB 4.45Å; M58-K172 HydrophobicContact SD-CD 3.86Å; M58-K172 HydrophobicContact SD-CG 4.29Å; N59-K172 WeakPolarHBondContact O-CE 3.35Å; N59-K172 PolarHBondContact O-NZ 3.06Å; S169-K172 VanDerWaalsContact OG-CA 3.27Å; S169-K172 WeakPolarHBondContact OG-CA 3.43Å; S169-K172 PolarHBondContact OG-N 2.95Å
173	S	89.3	Confident	92.4	Very high	39 Å²	39	65.5 Å²	65.5	27%	0.273	33%	0.325	S	S	.	.			trans	-68.4	156.9	-170.4	92.5	0	0	0	0	110.7	K171 A175 D176 I177	K171-S173 PolarHBondContact O-N 2.83Å; S173-A175 PolarHBondContact O-N 2.91Å; S173-A175 PolarHBondContact OG-N 3.35Å; S173-D176 PolarHBondContact N-OD2 2.9Å; S173-D176 WeakPolarHBondContact O-CB 3.38Å; S173-D176 PolarHBondContact O-N 3.14Å; S173-D176 PolarHBondContact OG-N 3.3Å; S173-D176 VanDerWaalsContact OG-N 3.13Å; S173-D176 PolarHBondContact OG-OD1 2.93Å; S173-I177 WeakPolarHBondContact O-CG1 3.43Å; S173-I177 PolarHBondContact O-N 3.09Å
174	R	90	Very high	92.3	Very high	227 Å²	227	66.3 Å²	66.3	86%	0.857	33%	0.33	S	S	*	.	H	α-helix	trans	-57.6	-32.1	175.4	-171.2	177.3	-179.1	-177.9	0.8	112.3	L178	R174-L178 WeakPolarHBondContact O-CB 3.31Å; R174-L178 PolarHBondContact O-N 2.95Å; R174-L178 VanDerWaalsContact O-N 3.08Å
175	A	91.3	Very high	92.2	Very high	68 Å²	68	72.6 Å²	72.6	56%	0.562	36%	0.357	S	S	*	.	H	α-helix	trans	-68.6	-43	175.1	0	0	0	0	0	111.5	S173 I177 L178 E179	S173-A175 PolarHBondContact O-N 2.91Å; S173-A175 PolarHBondContact OG-N 3.35Å; A175-I177 VanDerWaalsContact C-N 3.28Å; A175-I177 PolarHBondContact O-N 3.45Å; A175-L178 PolarHBondContact O-N 2.88Å; A175-E179 WeakPolarHBondContact O-CB 3.33Å; A175-E179 PolarHBondContact O-N 2.88Å
176	D	91.2	Very high	92.1	Very high	48 Å²	48	75.8 Å²	75.8	26%	0.257	37%	0.373	S	S	.	.	H	α-helix	trans	-61.1	-40.8	176.6	-54.2	7.1	0	0	0	110.6	M63 S169 S173 M180	M63-D176 HydrophobicContact CE-CB 3.71Å; M63-D176 VanDerWaalsContact CE-O 3.26Å; M63-D176 WeakPolarHBondContact CE-O 3.41Å; S169-D176 PolarHBondContact OG-OD2 3.09Å; S173-D176 PolarHBondContact N-OD2 2.9Å; S173-D176 WeakPolarHBondContact O-CB 3.38Å; S173-D176 PolarHBondContact O-N 3.14Å; S173-D176 PolarHBondContact OG-N 3.3Å; S173-D176 VanDerWaalsContact OG-N 3.13Å; S173-D176 PolarHBondContact OG-OD1 2.93Å; D176-M180 WeakPolarHBondContact O-CB 3.45Å; D176-M180 WeakPolarHBondContact O-CG 3.48Å; D176-M180 PolarHBondContact O-N 3.44Å
177	I	93.7	Very high	92.1	Very high	34 Å²	34	75.7 Å²	75.7	17%	0.174	37%	0.373	C	S	.	.	H	α-helix	trans	-62.7	-50.4	178	-68.6	169.5	0	0	0	109.7	L56 M58 M63 S173 A175 E179 M180 E181	L56-I177 HydrophobicContact CD1-CG2 4.08Å; M58-I177 HydrophobicContact CE-CD1 4.04Å; M58-I177 HydrophobicContact CE-CG1 4.19Å; M63-I177 HydrophobicContact CE-CB 4.45Å; M63-I177 HydrophobicContact CE-CG1 3.95Å; M63-I177 HydrophobicContact SD-CG1 3.7Å; S173-I177 WeakPolarHBondContact O-CG1 3.43Å; S173-I177 PolarHBondContact O-N 3.09Å; A175-I177 VanDerWaalsContact C-N 3.28Å; A175-I177 PolarHBondContact O-N 3.45Å; I177-E179 VanDerWaalsContact C-N 3.34Å; I177-E179 PolarHBondContact O-N 2.95Å; I177-M180 PolarHBondContact O-N 3.28Å; I177-E181 HydrophobicContact CG2-CG 4.39Å; I177-E181 WeakPolarHBondContact O-CG 3.3Å; I177-E181 PolarHBondContact O-N 2.77Å
178	L	94.5	Very high	92.3	Very high	95 Å²	95	79.2 Å²	79.2	50%	0.497	38%	0.383	S	S	.	.	H	α-helix	trans	-62.2	-39.9	179.8	-177.5	64.4	0	0	0	112.4	R174 A175 E181 N182	R174-L178 WeakPolarHBondContact O-CB 3.31Å; R174-L178 PolarHBondContact O-N 2.95Å; R174-L178 VanDerWaalsContact O-N 3.08Å; A175-L178 PolarHBondContact O-N 2.88Å; L178-E181 PolarHBondContact O-N 3.09Å; L178-N182 WeakPolarHBondContact O-CB 3.19Å; L178-N182 VanDerWaalsContact O-CG 3.29Å; L178-N182 PolarHBondContact O-N 3.36Å; L178-N182 PolarHBondContact O-ND2 3.04Å
179	E	93.7	Very high	92.5	Very high	134 Å²	134	77.2 Å²	77.2	63%	0.626	38%	0.375	S	S	*	.	H	α-helix	trans	-61.2	-44.9	175	-173	-179.9	177.4	0	0	111.1	A175 I177 N182 L183	A175-E179 WeakPolarHBondContact O-CB 3.33Å; A175-E179 PolarHBondContact O-N 2.88Å; I177-E179 VanDerWaalsContact C-N 3.34Å; I177-E179 PolarHBondContact O-N 2.95Å; E179-N182 PolarHBondContact O-N 3.21Å; E179-L183 WeakPolarHBondContact O-CB 3.33Å; E179-L183 PolarHBondContact O-N 3.12Å
180	M	95.2	Very high	92.7	Very high	6 Å²	6	78 Å²	78	3%	0.03	38%	0.38	C	S	.	.	H	α-helix	trans	-66.8	-42	177.2	-78	-67	-81	0	0	112.9	L56 M63 F65 Y165 D176 I177 N182 L183 V184	L56-M180 HydrophobicContact CD1-CB 3.71Å; L56-M180 HydrophobicContact CD2-CB 4.16Å; M63-M180 HydrophobicContact CE-CB 4.12Å; M63-M180 HydrophobicContact CE-CG 3.73Å; M63-M180 WeakPolarHBondContact O-CE 3.48Å; F65-M180 HydrophobicContact CD1-CE 3.82Å; F65-M180 HydrophobicContact CE1-CE 4.28Å; Y165-M180 HydrophobicContact CD1-CE 3.83Å; Y165-M180 HydrophobicContact CD1-SD 4.21Å; Y165-M180 HydrophobicContact CE1-CE 3.99Å; Y165-M180 HydrophobicContact CE1-SD 3.8Å; D176-M180 WeakPolarHBondContact O-CB 3.45Å; D176-M180 WeakPolarHBondContact O-CG 3.48Å; D176-M180 PolarHBondContact O-N 3.44Å; I177-M180 PolarHBondContact O-N 3.28Å; M180-N182 VanDerWaalsContact C-N 3.3Å; M180-N182 PolarHBondContact O-N 2.86Å; M180-L183 WeakPolarHBondContact O-CB 3.49Å; M180-L183 PolarHBondContact O-N 2.82Å; M180-L183 VanDerWaalsContact O-N 3.17Å; M180-L183 HydrophobicContact SD-CD2 4.12Å; M180-V184 WeakPolarHBondContact O-CG2 3.39Å; M180-V184 PolarHBondContact O-N 2.54Å
181	E	95.7	Very high	93.6	Very high	52 Å²	52	68.8 Å²	68.8	24%	0.243	34%	0.34	C	S	.	.	H	α-helix	trans	-59	-42.3	174	-73.9	176.6	161.8	0	0	111.8	S54 L56 I177 L178 V184 K185	S54-E181 VanDerWaalsContact CA-OE1 3.28Å; S54-E181 WeakPolarHBondContact CA-OE1 3.16Å; S54-E181 WeakPolarHBondContact CB-OE1 3.42Å; L56-E181 HydrophobicContact CD1-CG 4.45Å; I177-E181 HydrophobicContact CG2-CG 4.39Å; I177-E181 WeakPolarHBondContact O-CG 3.3Å; I177-E181 PolarHBondContact O-N 2.77Å; L178-E181 PolarHBondContact O-N 3.09Å; E181-V184 PolarHBondContact O-N 2.93Å; E181-K185 WeakPolarHBondContact O-CG 3.13Å; E181-K185 PolarHBondContact O-N 3.22Å; E181-K185 VanDerWaalsContact O-N 3.12Å
182	N	96.2	Very high	94.2	Very high	72 Å²	72	66.6 Å²	66.6	39%	0.385	33%	0.333	S	S	.	.	H	α-helix	trans	-65	-41.1	175.2	-74.1	-24	0	0	0	111.5	L178 E179 M180 V184 K185 I186	L178-N182 WeakPolarHBondContact O-CB 3.19Å; L178-N182 VanDerWaalsContact O-CG 3.29Å; L178-N182 PolarHBondContact O-N 3.36Å; L178-N182 PolarHBondContact O-ND2 3.04Å; E179-N182 PolarHBondContact O-N 3.21Å; M180-N182 VanDerWaalsContact C-N 3.3Å; M180-N182 PolarHBondContact O-N 2.86Å; N182-V184 PolarHBondContact O-N 3.19Å; N182-K185 PolarHBondContact O-N 2.75Å; N182-I186 VanDerWaalsContact O-CG1 3.28Å; N182-I186 WeakPolarHBondContact O-CG1 3.41Å; N182-I186 PolarHBondContact O-N 2.85Å
183	L	96.2	Very high	94.5	Very high	16 Å²	16	66.2 Å²	66.2	8%	0.084	35%	0.348	C	S	.	.	H	α-helix	trans	-62.3	-42.3	175.8	-178.1	61	0	0	0	112.1	F65 P92 Y165 E179 M180 K185 I186 I187	F65-L183 HydrophobicContact CE1-CD2 4.37Å; F65-L183 HydrophobicContact CE1-CG 4.44Å; P92-L183 HydrophobicContact CG-CD1 4.17Å; P92-L183 HydrophobicContact CG-CD2 3.98Å; Y165-L183 HydrophobicContact CD1-CD2 4.03Å; Y165-L183 HydrophobicContact CE1-CD2 3.42Å; Y165-L183 VanDerWaalsContact CE1-CD2 3.42Å; Y165-L183 HydrophobicContact CE2-CD2 4.4Å; E179-L183 WeakPolarHBondContact O-CB 3.33Å; E179-L183 PolarHBondContact O-N 3.12Å; M180-L183 WeakPolarHBondContact O-CB 3.49Å; M180-L183 PolarHBondContact O-N 2.82Å; M180-L183 VanDerWaalsContact O-N 3.17Å; M180-L183 HydrophobicContact SD-CD2 4.12Å; L183-K185 VanDerWaalsContact C-N 3.34Å; L183-K185 PolarHBondContact O-N 2.87Å; L183-I186 PolarHBondContact O-N 2.99Å; L183-I187 HydrophobicContact CD1-CD1 3.72Å; L183-I187 HydrophobicContact CD1-CG1 4.05Å; L183-I187 HydrophobicContact CD2-CD1 4.38Å; L183-I187 HydrophobicContact CG-CD1 3.74Å; L183-I187 HydrophobicContact CG-CG1 4.43Å; L183-I187 WeakPolarHBondContact O-CB 3.24Å; L183-I187 WeakPolarHBondContact O-CG1 3.43Å; L183-I187 PolarHBondContact O-N 2.92Å
184	V	96.4	Very high	94.6	Very high	17 Å²	17	64.4 Å²	64.4	10%	0.103	34%	0.336	C	S	.	.	H	α-helix	trans	-56.4	-49.4	173.9	173.2	0	0	0	0	110.5	L56 F65 L67 M180 E181 N182 I186 I187 R188	L56-V184 HydrophobicContact CD2-CG2 4.25Å; F65-V184 HydrophobicContact CB-CG2 3.76Å; F65-V184 HydrophobicContact CD1-CG2 3.26Å; F65-V184 HydrophobicContact CD2-CG2 3.87Å; F65-V184 HydrophobicContact CE1-CG2 3.75Å; F65-V184 HydrophobicContact CE2-CG2 4.31Å; F65-V184 HydrophobicContact CG-CG2 3.35Å; F65-V184 HydrophobicContact CZ-CG2 4.26Å; L67-V184 HydrophobicContact CD2-CG1 4.46Å; M180-V184 WeakPolarHBondContact O-CG2 3.39Å; M180-V184 PolarHBondContact O-N 2.54Å; E181-V184 PolarHBondContact O-N 2.93Å; N182-V184 PolarHBondContact O-N 3.19Å; V184-I186 VanDerWaalsContact C-N 3.35Å; V184-I186 PolarHBondContact O-N 3.18Å; V184-I187 PolarHBondContact O-N 3.1Å; V184-R188 HydrophobicContact CG1-CG 4.29Å; V184-R188 WeakPolarHBondContact O-CB 3.45Å; V184-R188 VanDerWaalsContact O-CG 3.26Å; V184-R188 WeakPolarHBondContact O-CG 3.31Å; V184-R188 PolarHBondContact O-N 3.3Å
185	K	96.4	Very high	94.6	Very high	132 Å²	132	58.2 Å²	58.2	57%	0.574	33%	0.327	S	S	*	.	H	α-helix	trans	-58.9	-45.8	178.5	-69	168.9	-172.1	168	0	111.5	E181 N182 L183 A189	E181-K185 WeakPolarHBondContact O-CG 3.13Å; E181-K185 PolarHBondContact O-N 3.22Å; E181-K185 VanDerWaalsContact O-N 3.12Å; N182-K185 PolarHBondContact O-N 2.75Å; L183-K185 VanDerWaalsContact C-N 3.34Å; L183-K185 PolarHBondContact O-N 2.87Å; K185-A189 WeakPolarHBondContact O-CB 3.45Å; K185-A189 PolarHBondContact O-N 2.86Å
186	I	96.6	Very high	94.8	Very high	73 Å²	73	55.1 Å²	55.1	37%	0.374	30%	0.301	S	S	.	.	H	α-helix	trans	-62.4	-47.2	179.2	-70.4	166.1	0	0	0	111.5	K90 N182 L183 V184 A189 S190	K90-I186 HydrophobicContact CB-CG2 3.71Å; K90-I186 HydrophobicContact CD-CG2 3.77Å; K90-I186 HydrophobicContact CG-CG2 3.96Å; N182-I186 VanDerWaalsContact O-CG1 3.28Å; N182-I186 WeakPolarHBondContact O-CG1 3.41Å; N182-I186 PolarHBondContact O-N 2.85Å; L183-I186 PolarHBondContact O-N 2.99Å; V184-I186 VanDerWaalsContact C-N 3.35Å; V184-I186 PolarHBondContact O-N 3.18Å; I186-A189 PolarHBondContact O-N 2.94Å; I186-S190 WeakPolarHBondContact O-CB 2.97Å; I186-S190 PolarHBondContact O-N 2.82Å; I186-S190 PolarHBondContact O-OG 2.77Å
187	I	96.3	Very high	94.9	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-66.4	-45	-178.9	-72.4	169.7	0	0	0	110.4	F65 L67 M86 L91 L183 V184 A189 S190 L191	F65-I187 HydrophobicContact CE1-CD1 4.36Å; F65-I187 HydrophobicContact CZ-CD1 3.64Å; L67-I187 HydrophobicContact CD1-CG2 4.32Å; M86-I187 HydrophobicContact SD-CG2 4.5Å; L91-I187 HydrophobicContact CD2-CD1 3.66Å; L91-I187 HydrophobicContact CD2-CG1 4Å; L183-I187 HydrophobicContact CD1-CD1 3.72Å; L183-I187 HydrophobicContact CD1-CG1 4.05Å; L183-I187 HydrophobicContact CD2-CD1 4.38Å; L183-I187 HydrophobicContact CG-CD1 3.74Å; L183-I187 HydrophobicContact CG-CG1 4.43Å; L183-I187 WeakPolarHBondContact O-CB 3.24Å; L183-I187 WeakPolarHBondContact O-CG1 3.43Å; L183-I187 PolarHBondContact O-N 2.92Å; V184-I187 PolarHBondContact O-N 3.1Å; I187-A189 PolarHBondContact O-N 2.98Å; I187-S190 WeakPolarHBondContact O-CB 3.45Å; I187-S190 PolarHBondContact O-N 3.32Å; I187-S190 VanDerWaalsContact O-N 3.16Å; I187-L191 HydrophobicContact CG2-CD1 3.91Å; I187-L191 HydrophobicContact CG2-CG 4.35Å; I187-L191 WeakPolarHBondContact O-CG 3.26Å; I187-L191 PolarHBondContact O-N 2.76Å
188	R	97	Very high	95.1	Very high	94 Å²	94	55 Å²	55	36%	0.355	31%	0.309	S	S	.	.	H	α-helix	trans	-60.2	-44.1	176.5	-70.6	-177.6	71.7	-160.4	1.2	112	L67 V184 S190 L191 Q192 T198	L67-R188 HydrophobicContact CD1-CG 3.66Å; L67-R188 HydrophobicContact CD2-CG 4.14Å; V184-R188 HydrophobicContact CG1-CG 4.29Å; V184-R188 WeakPolarHBondContact O-CB 3.45Å; V184-R188 VanDerWaalsContact O-CG 3.26Å; V184-R188 WeakPolarHBondContact O-CG 3.31Å; V184-R188 PolarHBondContact O-N 3.3Å; R188-S190 VanDerWaalsContact C-N 3.32Å; R188-S190 PolarHBondContact O-N 3.47Å; R188-L191 PolarHBondContact O-N 2.87Å; R188-Q192 WeakPolarHBondContact O-CB 3.37Å; R188-Q192 PolarHBondContact O-N 2.87Å; R188-T198 PolarHBondContact NE-OG1 3.23Å; R188-T198 PolarHBondContact NH2-O 2.91Å
189	A	96.3	Very high	95.1	Very high	57 Å²	57	55.9 Å²	55.9	47%	0.471	31%	0.311	S	S	.	.	H	α-helix	trans	-62.9	-38.3	175.5	0	0	0	0	0	112.2	K185 I186 I187 Q192 G193	K185-A189 WeakPolarHBondContact O-CB 3.45Å; K185-A189 PolarHBondContact O-N 2.86Å; I186-A189 PolarHBondContact O-N 2.94Å; I187-A189 PolarHBondContact O-N 2.98Å; A189-Q192 PolarHBondContact O-N 3.43Å; A189-G193 PolarHBondContact O-N 2.97Å
190	S	95.7	Very high	95.3	Very high	23 Å²	23	53 Å²	53	16%	0.161	30%	0.302	C	S	.	.	H	α-helix	trans	-67.1	-43.8	177.5	-56.2	0	0	0	0	112	I186 I187 R188 G193 A194	I186-S190 WeakPolarHBondContact O-CB 2.97Å; I186-S190 PolarHBondContact O-N 2.82Å; I186-S190 PolarHBondContact O-OG 2.77Å; I187-S190 WeakPolarHBondContact O-CB 3.45Å; I187-S190 PolarHBondContact O-N 3.32Å; I187-S190 VanDerWaalsContact O-N 3.16Å; R188-S190 VanDerWaalsContact C-N 3.32Å; R188-S190 PolarHBondContact O-N 3.47Å; S190-G193 PolarHBondContact O-N 2.93Å; S190-A194 PolarHBondContact O-N 3.1Å; S190-A194 VanDerWaalsContact O-N 3.17Å
191	L	96.7	Very high	95.4	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-64.3	-40.2	174.8	-70.3	173.8	0	0	0	111.4	L83 M86 F163 I187 R188 G193 A194 S195 I196 T198	L83-L191 HydrophobicContact CD2-CD2 4.14Å; M86-L191 HydrophobicContact CE-CD2 4.32Å; M86-L191 HydrophobicContact SD-CD2 4.01Å; M86-L191 HydrophobicContact SD-CG 4.13Å; F163-L191 HydrophobicContact CD1-CD1 4.37Å; F163-L191 HydrophobicContact CD2-CD1 4.2Å; F163-L191 HydrophobicContact CE1-CD1 4.19Å; F163-L191 HydrophobicContact CE1-CD2 3.96Å; F163-L191 HydrophobicContact CE2-CD1 4.03Å; F163-L191 HydrophobicContact CE2-CD2 4.3Å; F163-L191 HydrophobicContact CG-CD1 4.37Å; F163-L191 HydrophobicContact CZ-CD1 4Å; F163-L191 HydrophobicContact CZ-CD2 3.62Å; I187-L191 HydrophobicContact CG2-CD1 3.91Å; I187-L191 HydrophobicContact CG2-CG 4.35Å; I187-L191 WeakPolarHBondContact O-CG 3.26Å; I187-L191 PolarHBondContact O-N 2.76Å; R188-L191 PolarHBondContact O-N 2.87Å; L191-G193 VanDerWaalsContact C-N 3.31Å; L191-G193 PolarHBondContact O-N 2.93Å; L191-A194 CarbonylContact O-C 3.53Å; L191-A194 WeakPolarHBondContact O-CA 3.47Å; L191-A194 WeakPolarHBondContact O-CB 3.28Å; L191-A194 PolarHBondContact O-N 2.79Å; L191-S195 PolarHBondContact O-N 3.35Å; L191-I196 CarbonylContact C-O 3.53Å; L191-I196 VanDerWaalsContact C-O 3.29Å; L191-I196 HydrophobicContact CB-CB 4.17Å; L191-I196 HydrophobicContact CB-CG2 4.44Å; L191-I196 HydrophobicContact CD2-CD1 4.04Å; L191-I196 WeakPolarHBondContact O-CA 3.42Å; L191-I196 WeakPolarHBondContact O-CB 3.23Å; L191-I196 PolarHBondContact O-N 3.31Å; L191-T198 HydrophobicContact CB-CG2 4.23Å; L191-T198 HydrophobicContact CD1-CG2 3.71Å
192	Q	95.1	Very high	95.5	Very high	145 Å²	145	53.9 Å²	53.9	68%	0.678	31%	0.309	S	S	*	.	H	α-helix	trans	-61.1	-39.5	173.4	-174.9	177.9	2	0	0	112	R188 A189 A194 S195 I196	R188-Q192 WeakPolarHBondContact O-CB 3.37Å; R188-Q192 PolarHBondContact O-N 2.87Å; A189-Q192 PolarHBondContact O-N 3.43Å; Q192-A194 PolarHBondContact O-N 2.75Å; Q192-S195 WeakPolarHBondContact O-CA 3.31Å; Q192-S195 PolarHBondContact O-N 3.27Å; Q192-I196 PolarHBondContact N-O 3.32Å
193	G	91.3	Very high	95.6	Very high	59 Å²	59	51 Å²	51	61%	0.608	30%	0.295	S	S	*	.	H	α-helix	trans	-61.6	-26.5	171.8	0	0	0	0	0	113.7	A189 S190 L191 S195	A189-G193 PolarHBondContact O-N 2.97Å; S190-G193 PolarHBondContact O-N 2.93Å; L191-G193 VanDerWaalsContact C-N 3.31Å; L191-G193 PolarHBondContact O-N 2.93Å; G193-S195 VanDerWaalsContact C-N 3.27Å
194	A	92	Very high	95.7	Very high	1 Å²	1	53 Å²	53	1%	0.008	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	12.8	170.7	0	0	0	0	0	113.3	I79 A82 L83 S190 L191 Q192 I196	I79-A194 HydrophobicContact CG2-CB 4.44Å; A82-A194 HydrophobicContact CB-CB 3.89Å; L83-A194 HydrophobicContact CD2-CB 4.1Å; L83-A194 HydrophobicContact CG-CB 4.21Å; S190-A194 PolarHBondContact O-N 3.1Å; S190-A194 VanDerWaalsContact O-N 3.17Å; L191-A194 CarbonylContact O-C 3.53Å; L191-A194 WeakPolarHBondContact O-CA 3.47Å; L191-A194 WeakPolarHBondContact O-CB 3.28Å; L191-A194 PolarHBondContact O-N 2.79Å; Q192-A194 PolarHBondContact O-N 2.75Å; A194-I196 HydrophobicContact CB-CD1 4.01Å; A194-I196 HydrophobicContact CB-CG1 4.36Å; A194-I196 PolarHBondContact O-N 3.44Å
195	S	90	Very high	95.7	Very high	96 Å²	96	53.8 Å²	53.8	67%	0.671	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	60	26.9	-174.6	-56.3	0	0	0	0	114.6	L191 Q192 G193	L191-S195 PolarHBondContact O-N 3.35Å; Q192-S195 WeakPolarHBondContact O-CA 3.31Å; Q192-S195 PolarHBondContact O-N 3.27Å; G193-S195 VanDerWaalsContact C-N 3.27Å
196	I	94.3	Very high	95.8	Very high	3 Å²	3	47.5 Å²	47.5	2%	0.015	28%	0.284	C	S	.	.			trans	-105.5	102.6	177.1	-58.9	162.6	0	0	0	108.5	A69 I72 L83 L191 Q192 A194 T198 L446	A69-I196 HydrophobicContact CB-CG2 3.82Å; I72-I196 HydrophobicContact CG2-CG1 3.72Å; L83-I196 HydrophobicContact CD2-CD1 4Å; L191-I196 CarbonylContact C-O 3.53Å; L191-I196 VanDerWaalsContact C-O 3.29Å; L191-I196 HydrophobicContact CB-CB 4.17Å; L191-I196 HydrophobicContact CB-CG2 4.44Å; L191-I196 HydrophobicContact CD2-CD1 4.04Å; L191-I196 WeakPolarHBondContact O-CA 3.42Å; L191-I196 WeakPolarHBondContact O-CB 3.23Å; L191-I196 PolarHBondContact O-N 3.31Å; Q192-I196 PolarHBondContact N-O 3.32Å; A194-I196 HydrophobicContact CB-CD1 4.01Å; A194-I196 HydrophobicContact CB-CG1 4.36Å; A194-I196 PolarHBondContact O-N 3.44Å; I196-T198 HydrophobicContact CG2-CG2 4.3Å; I196-L446 HydrophobicContact CD1-CD1 3.85Å
197	A	93.5	Very high	95.8	Very high	55 Å²	55	44 Å²	44	46%	0.455	27%	0.267	S	S	.	.			trans	-73.2	138.7	174.6	0	0	0	0	0	110.9	A69 I70	A69-A197 WeakPolarHBondContact CA-O 3.37Å; I70-A197 HydrophobicContact CD1-CB 4.12Å; I70-A197 PolarHBondContact N-O 3.38Å
198	T	97.1	Very high	95.9	Very high	24 Å²	24	46.6 Å²	46.6	15%	0.147	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	145.8	-176.2	57.1	0	0	0	0	113.1	E68 A69 R188 L191 I196	E68-T198 CarbonylContact O-C 3.58Å; E68-T198 VanDerWaalsContact O-CA 3.29Å; E68-T198 WeakPolarHBondContact O-CA 3.49Å; A69-T198 HydrophobicContact CB-CG2 3.95Å; R188-T198 PolarHBondContact NE-OG1 3.23Å; R188-T198 PolarHBondContact NH2-O 2.91Å; L191-T198 HydrophobicContact CB-CG2 4.23Å; L191-T198 HydrophobicContact CD1-CG2 3.71Å; I196-T198 HydrophobicContact CG2-CG2 4.3Å
199	Q	96.3	Very high	95.9	Very high	115 Å²	115	42.2 Å²	42.2	54%	0.537	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	149.9	171.4	66.2	-175.6	15.3	0	0	110.9	L67 E68	L67-Q199 CarbonylContact C-O 3.54Å; L67-Q199 VanDerWaalsContact CA-O 3.25Å; L67-Q199 WeakPolarHBondContact CA-O 3.46Å; E68-Q199 HydrophobicContact CB-CG 3.84Å; E68-Q199 PolarHBondContact N-O 2.97Å; E68-Q199 PolarHBondContact O-N 3.27Å; E68-Q199 PolarHBondContact OE2-NE2 3.38Å
200	T	96.8	Very high	96	Very high	72 Å²	72	39.5 Å²	39.5	44%	0.442	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	137	174.6	47.8	0	0	0	0	110.2	L67	L67-T200 HydrophobicContact CD2-CG2 3.95Å
201	V	98.2	Very high	96	Very high	3 Å²	3	38.4 Å²	38.4	2%	0.018	23%	0.234	C	C	.	.			trans	-88.9	119.9	172.6	177.8	0	0	0	0	108.3	F57 M66 E68 A205 F206 I209	F57-V201 WeakPolarHBondContact CE2-O 3.32Å; F57-V201 WeakPolarHBondContact CZ-O 3.24Å; M66-V201 HydrophobicContact CB-CB 4.04Å; M66-V201 HydrophobicContact CB-CG2 4.35Å; M66-V201 HydrophobicContact CG-CB 4.1Å; M66-V201 HydrophobicContact CG-CG1 4.49Å; M66-V201 HydrophobicContact CG-CG2 3.95Å; M66-V201 PolarHBondContact O-N 2.88Å; M66-V201 HydrophobicContact SD-CG1 4.29Å; E68-V201 HydrophobicContact CB-CG2 4.06Å; V201-A205 HydrophobicContact CG1-CB 3.86Å; V201-F206 HydrophobicContact CG1-CB 3.97Å; V201-F206 HydrophobicContact CG1-CD2 4.49Å; V201-I209 HydrophobicContact CG1-CD1 3.85Å; V201-I209 HydrophobicContact CG2-CD1 4.14Å
202	D	97.5	Very high	96	Very high	75 Å²	75	39.6 Å²	39.6	40%	0.401	24%	0.239	S	C	.	.			trans	-87.7	179.6	175.4	69.3	12	0	0	0	112.3	Y50 Q204 A205 F206	Y50-D202 HydrophobicContact CE1-CB 4.02Å; D202-Q204 VanDerWaalsContact C-N 3.32Å; D202-Q204 PolarHBondContact O-N 2.89Å; D202-Q204 PolarHBondContact OD1-N 3.43Å; D202-A205 PolarHBondContact O-N 2.88Å; D202-A205 VanDerWaalsContact OD1-CB 3.29Å; D202-A205 WeakPolarHBondContact OD1-CB 3.5Å; D202-A205 PolarHBondContact OD1-N 3.34Å; D202-F206 WeakPolarHBondContact O-CB 3.24Å; D202-F206 PolarHBondContact O-N 3.23Å
203	A	97.6	Very high	96.1	Very high	10 Å²	10	32.7 Å²	32.7	8%	0.083	21%	0.207	C	C	.	.	H	α-helix	trans	-56.9	-40.9	-179.5	0	0	0	0	0	113.7	Y50 F206 I207 L228 L234	Y50-A203 HydrophobicContact CD1-CB 3.75Å; Y50-A203 HydrophobicContact CG-CB 3.84Å; A203-F206 PolarHBondContact O-N 2.99Å; A203-I207 PolarHBondContact O-N 2.9Å; A203-I207 VanDerWaalsContact O-N 3.12Å; A203-L228 HydrophobicContact CB-CD1 4.04Å; A203-L228 HydrophobicContact CB-CD2 3.65Å; A203-L234 HydrophobicContact CB-CD2 4.33Å
204	Q	97.6	Very high	96.4	Very high	59 Å²	59	29.9 Å²	29.9	28%	0.276	18%	0.178	S	C	.	.	H	α-helix	trans	-71.2	-49.6	-178.3	178.4	62.3	62.8	0	0	110.6	D202 F206 I207 D208 R226 L228	D202-Q204 VanDerWaalsContact C-N 3.32Å; D202-Q204 PolarHBondContact O-N 2.89Å; D202-Q204 PolarHBondContact OD1-N 3.43Å; Q204-F206 PolarHBondContact O-N 3.24Å; Q204-I207 WeakPolarHBondContact O-CG1 3.38Å; Q204-I207 PolarHBondContact O-N 3.4Å; Q204-D208 PolarHBondContact NE2-OD2 2.86Å; Q204-D208 PolarHBondContact O-N 2.83Å; Q204-R226 PolarHBondContact NE2-O 3.18Å; Q204-L228 VanDerWaalsContact OE1-CB 3.24Å; Q204-L228 VanDerWaalsContact OE1-N 3.11Å
205	A	97.2	Very high	96.6	Very high	33 Å²	33	30.4 Å²	30.4	27%	0.273	18%	0.181	S	C	.	.	H	α-helix	trans	-60	-35.9	175.1	0	0	0	0	0	111.2	V201 D202 D208 I209	V201-A205 HydrophobicContact CG1-CB 3.86Å; D202-A205 PolarHBondContact O-N 2.88Å; D202-A205 VanDerWaalsContact OD1-CB 3.29Å; D202-A205 WeakPolarHBondContact OD1-CB 3.5Å; D202-A205 PolarHBondContact OD1-N 3.34Å; A205-D208 PolarHBondContact O-N 2.95Å; A205-I209 HydrophobicContact CB-CD1 4.37Å; A205-I209 WeakPolarHBondContact O-CB 3.3Å; A205-I209 VanDerWaalsContact O-CD1 3.28Å; A205-I209 WeakPolarHBondContact O-CD1 3.47Å; A205-I209 WeakPolarHBondContact O-CG1 3.47Å; A205-I209 PolarHBondContact O-N 3.35Å
206	F	98.3	Very high	96.9	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-63	-50.3	178.1	-174.9	-94.4	0	0	0	112.8	Y47 F57 M66 V201 D202 A203 Q204 D208 I209 V210 L234 P415 F416	Y47-F206 AromaticContact CD1-CE1 3.96Å; Y47-F206 HydrophobicContact CD1-CE1 3.96Å; Y47-F206 AromaticContact CD1-CZ 3.54Å; Y47-F206 HydrophobicContact CD1-CZ 3.54Å; Y47-F206 AromaticContact CD2-CE1 3.77Å; Y47-F206 HydrophobicContact CD2-CE1 3.77Å; Y47-F206 HydrophobicContact CD2-CZ 4.01Å; Y47-F206 HydrophobicContact CE1-CE1 4.36Å; Y47-F206 AromaticContact CE1-CZ 3.64Å; Y47-F206 HydrophobicContact CE1-CZ 3.64Å; Y47-F206 HydrophobicContact CE2-CE1 4.18Å; Y47-F206 HydrophobicContact CE2-CZ 4.09Å; Y47-F206 AromaticContact CG-CE1 3.65Å; Y47-F206 HydrophobicContact CG-CE1 3.65Å; Y47-F206 AromaticContact CG-CZ 3.75Å; Y47-F206 HydrophobicContact CG-CZ 3.75Å; Y47-F206 AromaticContact CZ-CZ 3.9Å; F57-F206 HydrophobicContact CD1-CD1 4.5Å; F57-F206 HydrophobicContact CD1-CD2 4.28Å; F57-F206 HydrophobicContact CD1-CE2 4.46Å; F57-F206 HydrophobicContact CD1-CG 4.29Å; F57-F206 HydrophobicContact CE1-CB 3.62Å; F57-F206 AromaticContact CE1-CD1 3.89Å; F57-F206 HydrophobicContact CE1-CD1 3.89Å; F57-F206 AromaticContact CE1-CD2 3.56Å; F57-F206 HydrophobicContact CE1-CD2 3.56Å; F57-F206 HydrophobicContact CE1-CE1 4.45Å; F57-F206 HydrophobicContact CE1-CE2 4.17Å; F57-F206 AromaticContact CE1-CG 3.39Å; F57-F206 HydrophobicContact CE1-CG 3.39Å; F57-F206 HydrophobicContact CE2-CD2 4.21Å; F57-F206 HydrophobicContact CZ-CB 3.64Å; F57-F206 AromaticContact CZ-CD2 3.53Å; F57-F206 HydrophobicContact CZ-CD2 3.53Å; F57-F206 HydrophobicContact CZ-CE2 4.34Å; F57-F206 AromaticContact CZ-CG 3.68Å; F57-F206 HydrophobicContact CZ-CG 3.68Å; M66-F206 HydrophobicContact SD-CD2 3.79Å; M66-F206 HydrophobicContact SD-CE2 3.94Å; V201-F206 HydrophobicContact CG1-CB 3.97Å; V201-F206 HydrophobicContact CG1-CD2 4.49Å; D202-F206 WeakPolarHBondContact O-CB 3.24Å; D202-F206 PolarHBondContact O-N 3.23Å; A203-F206 PolarHBondContact O-N 2.99Å; Q204-F206 PolarHBondContact O-N 3.24Å; F206-D208 PolarHBondContact O-N 3.37Å; F206-I209 PolarHBondContact O-N 2.93Å; F206-V210 HydrophobicContact CD1-CG2 4.27Å; F206-V210 HydrophobicContact CD2-CG2 3.98Å; F206-V210 HydrophobicContact CE1-CB 4.38Å; F206-V210 HydrophobicContact CE1-CG2 3.96Å; F206-V210 HydrophobicContact CE2-CG2 3.64Å; F206-V210 HydrophobicContact CG-CG2 4.28Å; F206-V210 HydrophobicContact CZ-CB 4.47Å; F206-V210 HydrophobicContact CZ-CG2 3.63Å; F206-V210 WeakPolarHBondContact O-CB 3.49Å; F206-V210 WeakPolarHBondContact O-CG2 3.48Å; F206-V210 PolarHBondContact O-N 3.04Å; F206-L234 HydrophobicContact CD1-CD1 4.4Å; F206-P415 HydrophobicContact CE2-CB 4.25Å; F206-F416 HydrophobicContact CE2-CD2 4.23Å; F206-F416 AromaticContact CE2-CE2 3.57Å; F206-F416 HydrophobicContact CE2-CE2 3.57Å; F206-F416 HydrophobicContact CE2-CZ 4.36Å; F206-F416 HydrophobicContact CZ-CD2 4.23Å; F206-F416 AromaticContact CZ-CE2 3.93Å; F206-F416 HydrophobicContact CZ-CE2 3.93Å
207	I	97.8	Very high	96.9	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.005	16%	0.156	C	C	.	.	H	α-helix	trans	-65.2	-29.8	178.5	63.4	170.8	0	0	0	111.9	A203 Q204 G211 R226 L228 L234 Q237	A203-I207 PolarHBondContact O-N 2.9Å; A203-I207 VanDerWaalsContact O-N 3.12Å; Q204-I207 WeakPolarHBondContact O-CG1 3.38Å; Q204-I207 PolarHBondContact O-N 3.4Å; I207-G211 VanDerWaalsContact O-CA 3.25Å; I207-G211 WeakPolarHBondContact O-CA 3.45Å; I207-G211 PolarHBondContact O-N 2.68Å; I207-R226 HydrophobicContact CD1-CB 3.91Å; I207-R226 HydrophobicContact CG1-CB 4.34Å; I207-R226 WeakPolarHBondContact O-CD 3.45Å; I207-L228 HydrophobicContact CD1-CB 3.95Å; I207-L228 HydrophobicContact CD1-CD1 4.03Å; I207-L228 HydrophobicContact CG2-CD1 4.35Å; I207-L234 HydrophobicContact CG2-CD2 3.77Å; I207-Q237 HydrophobicContact CG2-CB 4.06Å
208	D	97	Very high	96.8	Very high	53 Å²	53	25.4 Å²	25.4	28%	0.283	14%	0.139	S	C	.	.	H	α-helix	trans	-71.2	-48.3	175.2	-71.8	-36.1	0	0	0	111.6	Q204 A205 F206 E212 R226	Q204-D208 PolarHBondContact NE2-OD2 2.86Å; Q204-D208 PolarHBondContact O-N 2.83Å; A205-D208 PolarHBondContact O-N 2.95Å; F206-D208 PolarHBondContact O-N 3.37Å; D208-E212 WeakPolarHBondContact O-CB 3.01Å; D208-E212 PolarHBondContact O-N 3.47Å; D208-R226 WeakPolarHBondContact OD1-CB 3.35Å
209	I	97.3	Very high	96.4	Very high	2 Å²	2	29 Å²	29	1%	0.01	16%	0.158	C	C	.	.	H	α-helix	trans	-67.2	-53.5	-179.6	-67	158.9	0	0	0	111.2	M66 F162 V201 A205 F206 G211 E212 M213	M66-I209 HydrophobicContact CE-CG2 3.85Å; F162-I209 HydrophobicContact CD1-CD1 4.23Å; F162-I209 HydrophobicContact CD2-CG2 4.41Å; F162-I209 HydrophobicContact CE1-CD1 3.52Å; F162-I209 HydrophobicContact CE1-CG1 4.02Å; F162-I209 HydrophobicContact CE1-CG2 4.04Å; F162-I209 HydrophobicContact CE2-CG2 3.89Å; F162-I209 HydrophobicContact CZ-CD1 4.06Å; F162-I209 HydrophobicContact CZ-CG1 4.02Å; F162-I209 HydrophobicContact CZ-CG2 3.67Å; V201-I209 HydrophobicContact CG1-CD1 3.85Å; V201-I209 HydrophobicContact CG2-CD1 4.14Å; A205-I209 HydrophobicContact CB-CD1 4.37Å; A205-I209 WeakPolarHBondContact O-CB 3.3Å; A205-I209 VanDerWaalsContact O-CD1 3.28Å; A205-I209 WeakPolarHBondContact O-CD1 3.47Å; A205-I209 WeakPolarHBondContact O-CG1 3.47Å; A205-I209 PolarHBondContact O-N 3.35Å; F206-I209 PolarHBondContact O-N 2.93Å; I209-G211 VanDerWaalsContact C-N 3.31Å; I209-G211 PolarHBondContact O-N 3.49Å; I209-E212 WeakPolarHBondContact O-CB 3.4Å; I209-E212 PolarHBondContact O-N 3.18Å; I209-E212 VanDerWaalsContact O-N 3.16Å; I209-M213 HydrophobicContact CG2-SD 4.47Å; I209-M213 WeakPolarHBondContact O-CG 3.38Å; I209-M213 PolarHBondContact O-N 2.9Å
210	V	97.9	Very high	96.2	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-70.5	-34.1	-177.9	178.7	0	0	0	0	110.6	Y47 F206 E212 M213 I214 C238 P415	Y47-V210 HydrophobicContact CE2-CG1 3.66Å; F206-V210 HydrophobicContact CD1-CG2 4.27Å; F206-V210 HydrophobicContact CD2-CG2 3.98Å; F206-V210 HydrophobicContact CE1-CB 4.38Å; F206-V210 HydrophobicContact CE1-CG2 3.96Å; F206-V210 HydrophobicContact CE2-CG2 3.64Å; F206-V210 HydrophobicContact CG-CG2 4.28Å; F206-V210 HydrophobicContact CZ-CB 4.47Å; F206-V210 HydrophobicContact CZ-CG2 3.63Å; F206-V210 WeakPolarHBondContact O-CB 3.49Å; F206-V210 WeakPolarHBondContact O-CG2 3.48Å; F206-V210 PolarHBondContact O-N 3.04Å; V210-E212 VanDerWaalsContact C-N 3.27Å; V210-E212 PolarHBondContact O-N 3.43Å; V210-M213 PolarHBondContact O-N 2.93Å; V210-I214 HydrophobicContact CG1-CD1 3.58Å; V210-I214 HydrophobicContact CG1-CG1 4.17Å; V210-I214 WeakPolarHBondContact O-CB 3.42Å; V210-I214 WeakPolarHBondContact O-CG1 3.29Å; V210-I214 PolarHBondContact O-N 3.24Å; V210-C238 HydrophobicContact CG1-CB 4.07Å; V210-P415 HydrophobicContact CG2-CG 3.91Å
211	G	96.7	Very high	96	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-59.2	-37.3	170.2	0	0	0	0	0	112.6	I207 I209 N215	I207-G211 VanDerWaalsContact O-CA 3.25Å; I207-G211 WeakPolarHBondContact O-CA 3.45Å; I207-G211 PolarHBondContact O-N 2.68Å; I209-G211 VanDerWaalsContact C-N 3.31Å; I209-G211 PolarHBondContact O-N 3.49Å; G211-N215 VanDerWaalsContact O-CB 3.28Å; G211-N215 WeakPolarHBondContact O-CB 3.32Å; G211-N215 PolarHBondContact O-N 2.86Å; G211-N215 PolarHBondContact O-ND2 3.29Å
212	E	96.8	Very high	95.8	Very high	25 Å²	25	24.8 Å²	24.8	12%	0.117	13%	0.133	C	C	.	.	H	α-helix	trans	-69.2	-42.5	173.2	-169.9	-176	162	0	0	112.5	M102 S104 L106 R160 D208 I209 V210 I214	M102-E212 HydrophobicContact CE-CB 3.91Å; M102-E212 HydrophobicContact CE-CG 3.39Å; M102-E212 VanDerWaalsContact CE-OE1 3.26Å; M102-E212 WeakPolarHBondContact CE-OE1 3.37Å; S104-E212 WeakPolarHBondContact CB-OE1 3.31Å; S104-E212 PolarHBondContact OG-OE1 3.45Å; L106-E212 HydrophobicContact CD1-CG 3.58Å; L106-E212 HydrophobicContact CG-CG 4.35Å; R160-E212 IonicContact NH1-OE2 3.01Å; D208-E212 WeakPolarHBondContact O-CB 3.01Å; D208-E212 PolarHBondContact O-N 3.47Å; I209-E212 WeakPolarHBondContact O-CB 3.4Å; I209-E212 PolarHBondContact O-N 3.18Å; I209-E212 VanDerWaalsContact O-N 3.16Å; V210-E212 VanDerWaalsContact C-N 3.27Å; V210-E212 PolarHBondContact O-N 3.43Å; E212-I214 VanDerWaalsContact C-N 3.33Å; E212-I214 PolarHBondContact O-N 3.06Å
213	M	97.2	Very high	95.5	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-63.3	-36.9	178.4	-69	-179.4	142.7	0	0	113.1	H100 M102 F162 I209 V210 I303 L414 P415	H100-M213 HydrophobicContact CB-CE 3.99Å; M102-M213 HydrophobicContact CE-CG 4Å; M102-M213 HydrophobicContact SD-CE 4.36Å; M102-M213 HydrophobicContact SD-CG 4.01Å; F162-M213 HydrophobicContact CD2-CE 4.39Å; I209-M213 HydrophobicContact CG2-SD 4.47Å; I209-M213 WeakPolarHBondContact O-CG 3.38Å; I209-M213 PolarHBondContact O-N 2.9Å; V210-M213 PolarHBondContact O-N 2.93Å; M213-I303 HydrophobicContact CB-CD1 4.01Å; M213-I303 HydrophobicContact CE-CD1 4.17Å; M213-I303 HydrophobicContact CE-CG2 4.04Å; M213-I303 HydrophobicContact CG-CD1 3.8Å; M213-L414 HydrophobicContact CB-CD2 3.98Å; M213-P415 HydrophobicContact SD-CG 4.49Å
214	I	97.2	Very high	95	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-85.8	-44.7	-176.5	-66.8	172.9	0	0	0	111.6	F41 L45 V210 E212 H216 C238 V239 F243 L254 L414	F41-I214 HydrophobicContact CD1-CG2 4.27Å; F41-I214 HydrophobicContact CE1-CD1 4.22Å; F41-I214 HydrophobicContact CE1-CG1 4.38Å; F41-I214 HydrophobicContact CE1-CG2 3.76Å; L45-I214 HydrophobicContact CD1-CD1 3.66Å; L45-I214 HydrophobicContact CD2-CD1 4.26Å; V210-I214 HydrophobicContact CG1-CD1 3.58Å; V210-I214 HydrophobicContact CG1-CG1 4.17Å; V210-I214 WeakPolarHBondContact O-CB 3.42Å; V210-I214 WeakPolarHBondContact O-CG1 3.29Å; V210-I214 PolarHBondContact O-N 3.24Å; E212-I214 VanDerWaalsContact C-N 3.33Å; E212-I214 PolarHBondContact O-N 3.06Å; I214-H216 PolarHBondContact O-N 3.23Å; I214-C238 HydrophobicContact CD1-CB 4.19Å; I214-V239 HydrophobicContact CD1-CG2 4.43Å; I214-V239 HydrophobicContact CG2-CG2 4.34Å; I214-F243 HydrophobicContact CG2-CD2 4.13Å; I214-F243 HydrophobicContact CG2-CE2 3.49Å; I214-F243 VanDerWaalsContact CG2-CE2 3.49Å; I214-F243 HydrophobicContact CG2-CZ 4.18Å; I214-L254 WeakPolarHBondContact O-CD2 3.14Å; I214-L414 HydrophobicContact CD1-CD1 4.22Å; I214-L414 HydrophobicContact CD1-CD2 4.42Å; I214-L414 HydrophobicContact CG1-CD1 4.01Å; I214-L414 HydrophobicContact CG1-CD2 3.67Å
215	N	96.4	Very high	94.5	Very high	12 Å²	12	33.9 Å²	33.9	6%	0.064	17%	0.166	C	C	.	.	S	Bend	trans	-104.4	53	-167.6	-48.3	-79.1	0	0	0	111.1	G211 N217 C238 E240 F243 L256	G211-N215 VanDerWaalsContact O-CB 3.28Å; G211-N215 WeakPolarHBondContact O-CB 3.32Å; G211-N215 PolarHBondContact O-N 2.86Å; G211-N215 PolarHBondContact O-ND2 3.29Å; N215-N217 PolarHBondContact O-N 3.42Å; N215-C238 PolarHBondContact ND2-O 3.26Å; N215-E240 HydrophobicContact CB-CG 3.7Å; N215-E240 VanDerWaalsContact CG-CG 3.49Å; N215-E240 WeakPolarHBondContact OD1-CG 3.38Å; N215-E240 PolarHBondContact OD1-N 2.94Å; N215-F243 WeakPolarHBondContact OD1-CD2 3.36Å; N215-L256 HydrophobicContact CB-CD1 4.08Å; N215-L256 HydrophobicContact CB-CD2 4.44Å; N215-L256 WeakPolarHBondContact O-CD1 3.48Å
216	H	95.5	Very high	94.3	Very high	19 Å²	19	34.3 Å²	34.3	9%	0.088	16%	0.16	C	C	.	.			trans	-62.6	120.8	177.5	-176.5	77.8	0	0	0	110.8	I214 L254 F373	I214-H216 PolarHBondContact O-N 3.23Å; H216-L254 HydrophobicContact CB-CD2 4.12Å; H216-L254 WeakPolarHBondContact O-CD2 3.39Å; H216-F373 HydrophobicContact CB-CD1 3.54Å; H216-F373 HydrophobicContact CB-CE1 3.81Å; H216-F373 HydrophobicContact CB-CG 4.08Å; H216-F373 VanDerWaalsContact CD2-CB 3.43Å; H216-F373 WeakPolarHBondContact CD2-CB 3.46Å; H216-F373 AromaticContact CD2-CD1 3.89Å; H216-F373 AromaticContact CD2-CG 3.86Å; H216-F373 AromaticContact CG-CD1 3.61Å; H216-F373 AromaticContact CG-CG 3.67Å
217	N	94.1	Very high	94	Very high	16 Å²	16	42.9 Å²	42.9	9%	0.086	20%	0.2	C	C	.	.			trans	-116.5	112.6	174.1	178.8	-2.9	0	0	0	108.5	Q105 N215 D219 S220 L256 E258 S263	Q105-N217 PolarHBondContact NE2-O 3.06Å; N215-N217 PolarHBondContact O-N 3.42Å; N217-D219 PolarHBondContact O-N 2.94Å; N217-D219 PolarHBondContact OD1-N 2.81Å; N217-S220 PolarHBondContact ND2-OG 2.85Å; N217-S220 PolarHBondContact O-N 3.02Å; N217-S220 VanDerWaalsContact O-N 3.07Å; N217-L256 HydrophobicContact CB-CD1 3.92Å; N217-E258 PolarHBondContact ND2-OE2 2.91Å; N217-S263 VanDerWaalsContact OD1-CB 3.24Å; N217-S263 WeakPolarHBondContact OD1-CB 3.21Å; N217-S263 PolarHBondContact OD1-OG 2.83Å
218	P	91.9	Very high	93.9	Very high	14 Å²	14	45.3 Å²	45.3	9%	0.091	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-26.3	-176.2	25.6	-31.6	0	0	0	112.4	Q105 S220 S263 A265 N375	Q105-P218 PolarHBondContact NE2-O 3.05Å; P218-S220 VanDerWaalsContact C-N 3.31Å; P218-S220 PolarHBondContact O-N 3.33Å; P218-S263 VanDerWaalsContact CD-OG 3.29Å; P218-S263 WeakPolarHBondContact CD-OG 3.26Å; P218-S263 WeakPolarHBondContact CG-OG 3.43Å; P218-A265 HydrophobicContact CG-CB 4.32Å; P218-N375 WeakPolarHBondContact CB-OD1 3.39Å
219	D	89.2	Confident	93.9	Very high	101 Å²	101	46.2 Å²	46.2	54%	0.54	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-6.6	179.3	-55.8	-47.7	0	0	0	113.2	N217 S263	N217-D219 PolarHBondContact O-N 2.94Å; N217-D219 PolarHBondContact OD1-N 2.81Å; D219-S263 WeakPolarHBondContact OD2-CB 3.47Å; D219-S263 PolarHBondContact OD2-OG 3.4Å
220	S	91.4	Very high	93.6	Very high	23 Å²	23	50.7 Å²	50.7	16%	0.161	25%	0.247	C	C	.	.			trans	-95.9	128.1	-178.6	-76.3	0	0	0	0	112.2	Q105 L106 N217 P218 E258	Q105-S220 PolarHBondContact NE2-O 2.86Å; L106-S220 WeakPolarHBondContact CD2-O 3.5Å; N217-S220 PolarHBondContact ND2-OG 2.85Å; N217-S220 PolarHBondContact O-N 3.02Å; N217-S220 VanDerWaalsContact O-N 3.07Å; P218-S220 VanDerWaalsContact C-N 3.31Å; P218-S220 PolarHBondContact O-N 3.33Å; S220-E258 PolarHBondContact OG-OE2 3.41Å
221	L	93.2	Very high	93.4	Very high	9 Å²	9	61.1 Å²	61.1	5%	0.047	29%	0.288	C	S	.	.			trans	-109.6	-5.3	170.2	-61.1	177.7	0	0	0	113.2	L106 V107 G108 M137 A140 A141 W865	L106-L221 CarbonylContact C-O 3.53Å; L106-L221 VanDerWaalsContact C-O 3.24Å; L106-L221 VanDerWaalsContact CA-O 3.27Å; L106-L221 WeakPolarHBondContact CA-O 3.35Å; V107-L221 PolarHBondContact N-O 3.38Å; G108-L221 WeakPolarHBondContact CA-O 3.41Å; G108-L221 PolarHBondContact N-O 2.7Å; M137-L221 HydrophobicContact CB-CD1 3.99Å; M137-L221 VanDerWaalsContact O-CD1 3.27Å; M137-L221 WeakPolarHBondContact O-CD1 3.46Å; M137-L221 HydrophobicContact SD-CD1 4.12Å; A140-L221 HydrophobicContact CB-CD2 4.14Å; A141-L221 HydrophobicContact CB-CD1 4.22Å; A141-L221 HydrophobicContact CB-CD2 4.1Å; L221-W865 HydrophobicContact CD1-CZ2 4.03Å
222	Y	93.4	Very high	93.3	Very high	68 Å²	68	63.1 Å²	63.1	27%	0.267	30%	0.302	S	S	.	.	S	Bend	trans	-115.6	139.9	-177.6	-65.8	-92.4	0	0	0	110.4	D109 E112 M137 K224	D109-Y222 WeakPolarHBondContact OD1-CD1 3.44Å; E112-Y222 HydrophobicContact CG-CE1 4.45Å; E112-Y222 PolarHBondContact OE1-OH 2.86Å; M137-Y222 HydrophobicContact CE-CE1 4.22Å; M137-Y222 WeakPolarHBondContact CE-OH 3.41Å; Y222-K224 PolarHBondContact O-N 2.9Å
223	P	91.2	Very high	93.3	Very high	46 Å²	46	65.1 Å²	65.1	30%	0.299	31%	0.313	S	S	.	.			trans	-63.5	134.6	171.3	28.3	-33.5	0	0	0	110.5	L106 D109 R225	L106-P223 HydrophobicContact CD1-CB 4.45Å; D109-P223 VanDerWaalsContact OD2-CG 3.22Å; D109-P223 WeakPolarHBondContact OD2-CG 3.44Å; P223-R225 PolarHBondContact O-N 2.78Å
224	K	88.7	Confident	93.3	Very high	95 Å²	95	65.4 Å²	65.4	41%	0.413	32%	0.315	S	S	.	.			trans	-69.8	127.7	170.6	-171.1	177.5	-178.6	174.1	0	108.9	Y222 R226 E240	Y222-K224 PolarHBondContact O-N 2.9Å; K224-R226 PolarHBondContact O-N 3.49Å; K224-R226 VanDerWaalsContact O-N 3.12Å; K224-E240 VanDerWaalsContact CD-OE1 3.22Å; K224-E240 WeakPolarHBondContact CD-OE1 3.47Å; K224-E240 VanDerWaalsContact NZ-CD 3.27Å; K224-E240 IonicContact NZ-OE1 3.76Å; K224-E240 PolarHBondContact NZ-OE1 3.08Å; K224-E240 IonicContact NZ-OE2 3.21Å; K224-E240 PolarHBondContact NZ-OE2 3.32Å
225	R	86.5	Confident	93.3	Very high	195 Å²	195	65.4 Å²	65.4	74%	0.736	32%	0.315	S	S	*	.			trans	-74.9	99.8	176	-59.2	-61.3	179.2	166	-1.5	109.1	D109 P223	D109-R225 IonicContact OD1-NH2 3.55Å; D109-R225 IonicContact OD2-CZ 3.44Å; D109-R225 IonicContact OD2-NE 3.98Å; D109-R225 IonicContact OD2-NH2 2.76Å; D109-R225 PolarHBondContact OD2-NH2 2.89Å; P223-R225 PolarHBondContact O-N 2.78Å
226	R	91.9	Very high	93.2	Very high	42 Å²	42	69.8 Å²	69.8	16%	0.158	33%	0.331	C	S	.	.			trans	-88.7	137.4	173.9	-60.8	-178	173.9	81.7	6.2	109.1	Q204 I207 D208 K224 E240	Q204-R226 PolarHBondContact NE2-O 3.18Å; I207-R226 HydrophobicContact CD1-CB 3.91Å; I207-R226 HydrophobicContact CG1-CB 4.34Å; I207-R226 WeakPolarHBondContact O-CD 3.45Å; D208-R226 WeakPolarHBondContact OD1-CB 3.35Å; K224-R226 PolarHBondContact O-N 3.49Å; K224-R226 VanDerWaalsContact O-N 3.12Å; R226-E240 IonicContact CZ-OE1 2.73Å; R226-E240 IonicContact NE-OE1 3.1Å; R226-E240 IonicContact NH2-OE1 3.38Å; R226-E240 PolarHBondContact NH2-OE1 2.81Å
227	Q	93.3	Very high	93.3	Very high	180 Å²	180	70.4 Å²	70.4	84%	0.841	33%	0.334	S	S	*	.			trans	-104.5	118.5	172.5	-177	170.9	18.8	0	0	107.4	D229	Q227-D229 PolarHBondContact O-N 2.82Å
228	L	95.7	Very high	93.4	Very high	51 Å²	51	69.6 Å²	69.6	27%	0.267	33%	0.33	S	S	.	.			trans	-60.1	124	174.4	-178.9	71.7	0	0	0	110.1	A203 Q204 I207 L234	A203-L228 HydrophobicContact CB-CD1 4.04Å; A203-L228 HydrophobicContact CB-CD2 3.65Å; Q204-L228 VanDerWaalsContact OE1-CB 3.24Å; Q204-L228 VanDerWaalsContact OE1-N 3.11Å; I207-L228 HydrophobicContact CD1-CB 3.95Å; I207-L228 HydrophobicContact CD1-CD1 4.03Å; I207-L228 HydrophobicContact CG2-CD1 4.35Å; L228-L234 HydrophobicContact CD1-CD2 3.69Å
229	D	96	Very high	93.6	Very high	73 Å²	73	69.9 Å²	69.9	39%	0.39	33%	0.331	S	S	.	.			trans	-93.3	111.4	165.8	-178.1	-1.9	0	0	0	108.8	Q227 Y231 S232 Q237	Q227-D229 PolarHBondContact O-N 2.82Å; D229-Y231 PolarHBondContact O-N 3.49Å; D229-Y231 PolarHBondContact OD1-N 3.37Å; D229-S232 PolarHBondContact O-N 3.35Å; D229-Q237 PolarHBondContact O-NE2 2.88Å
230	P	91.3	Very high	93.7	Very high	95 Å²	95	66.7 Å²	66.7	62%	0.617	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-11.2	-178.7	29.2	-35.4	0	0	0	113.7
231	Y	93.3	Very high	93.7	Very high	220 Å²	220	74 Å²	74	86%	0.863	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.7	3	-178.8	-55.9	-72	0	0	0	113.6	D229	D229-Y231 PolarHBondContact O-N 3.49Å; D229-Y231 PolarHBondContact OD1-N 3.37Å
232	S	94.4	Very high	93.6	Very high	42 Å²	42	75.5 Å²	75.5	29%	0.294	36%	0.361	S	S	.	.	S	Bend	trans	-118.9	142.9	-178.1	-174.2	0	0	0	0	111	D229 L234 Q237	D229-S232 PolarHBondContact O-N 3.35Å; S232-L234 PolarHBondContact O-N 2.86Å; S232-Q237 PolarHBondContact O-NE2 2.72Å
233	D	97	Very high	93.6	Very high	66 Å²	66	73.8 Å²	73.8	35%	0.353	36%	0.355	S	S	.	.			trans	-64	139	177.8	-71.4	-19.1	0	0	0	111.2	R48 N235 Y236	R48-D233 VanDerWaalsContact CD-OD2 3.28Å; R48-D233 WeakPolarHBondContact CD-OD2 3.44Å; R48-D233 CarbonylContact O-C 3.24Å; R48-D233 WeakPolarHBondContact O-CA 3.35Å; D233-N235 WeakPolarHBondContact CB-OD1 3.45Å; D233-N235 PolarHBondContact O-N 3.01Å; D233-N235 VanDerWaalsContact O-N 3.11Å; D233-Y236 HydrophobicContact CB-CD2 3.9Å; D233-Y236 HydrophobicContact CB-CE2 4.18Å; D233-Y236 PolarHBondContact O-N 3.05Å; D233-Y236 VanDerWaalsContact O-N 3.14Å
234	L	97.7	Very high	93.7	Very high	6 Å²	6	74.9 Å²	74.9	3%	0.031	36%	0.359	C	S	.	.	H	α-helix	trans	-57.8	-29.3	-177	-65.1	175.1	0	0	0	113.6	R48 F57 A203 F206 I207 L228 S232 Y236 Q237 C238	R48-L234 WeakPolarHBondContact O-CG 3.31Å; R48-L234 PolarHBondContact O-N 3.36Å; F57-L234 HydrophobicContact CD1-CD1 3.92Å; F57-L234 HydrophobicContact CE1-CD1 4.08Å; A203-L234 HydrophobicContact CB-CD2 4.33Å; F206-L234 HydrophobicContact CD1-CD1 4.4Å; I207-L234 HydrophobicContact CG2-CD2 3.77Å; L228-L234 HydrophobicContact CD1-CD2 3.69Å; S232-L234 PolarHBondContact O-N 2.86Å; L234-Y236 VanDerWaalsContact C-N 3.34Å; L234-Y236 PolarHBondContact O-N 2.82Å; L234-Q237 PolarHBondContact O-N 3.32Å; L234-C238 PolarHBondContact O-N 2.93Å; L234-C238 VanDerWaalsContact O-N 3.08Å; L234-C238 PolarHBondContact O-SG 3.09Å
235	N	96.7	Very high	94	Very high	1 Å²	1	71.9 Å²	71.9	1%	0.005	35%	0.347	C	S	.	.	H	α-helix	trans	-66.1	-33.6	179.9	65	-42.5	0	0	0	113.4	S42 L45 Y47 D233 Q237	S42-N235 WeakPolarHBondContact CB-O 3.03Å; S42-N235 WeakPolarHBondContact O-CB 3.44Å; S42-N235 PolarHBondContact O-ND2 3.45Å; L45-N235 HydrophobicContact CB-CB 3.91Å; Y47-N235 HydrophobicContact CD2-CB 4.41Å; Y47-N235 VanDerWaalsContact O-CB 3.24Å; Y47-N235 WeakPolarHBondContact O-CB 3.33Å; Y47-N235 PolarHBondContact O-N 3.04Å; Y47-N235 PolarHBondContact O-OD1 3.4Å; D233-N235 WeakPolarHBondContact CB-OD1 3.45Å; D233-N235 PolarHBondContact O-N 3.01Å; D233-N235 VanDerWaalsContact O-N 3.11Å; N235-Q237 VanDerWaalsContact C-N 3.34Å
236	Y	95.6	Very high	94.4	Very high	103 Å²	103	67.4 Å²	67.4	40%	0.404	33%	0.333	S	S	.	.	H	α-helix	trans	-73.4	-31.7	174.5	-61.5	-62	0	0	0	111.1	R43 D233 L234	R43-Y236 HydrophobicContact CG-CE1 4.34Å; D233-Y236 HydrophobicContact CB-CD2 3.9Å; D233-Y236 HydrophobicContact CB-CE2 4.18Å; D233-Y236 PolarHBondContact O-N 3.05Å; D233-Y236 VanDerWaalsContact O-N 3.14Å; L234-Y236 VanDerWaalsContact C-N 3.34Å; L234-Y236 PolarHBondContact O-N 2.82Å
237	Q	96.5	Very high	94.6	Very high	32 Å²	32	69.3 Å²	69.3	15%	0.15	35%	0.349	C	S	.	.	H	α-helix	trans	-78.2	-18.2	-179.3	-57.5	-172.7	61.1	0	0	113.8	I207 D229 S232 L234 N235	I207-Q237 HydrophobicContact CG2-CB 4.06Å; D229-Q237 PolarHBondContact O-NE2 2.88Å; S232-Q237 PolarHBondContact O-NE2 2.72Å; L234-Q237 PolarHBondContact O-N 3.32Å; N235-Q237 VanDerWaalsContact C-N 3.34Å
238	C	96.1	Very high	94.7	Very high	0 Å²	0	66.5 Å²	66.5	0%	0	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85	-7.1	178.1	-67.3	0	0	0	0	114.2	V210 I214 N215 L234	V210-C238 HydrophobicContact CG1-CB 4.07Å; I214-C238 HydrophobicContact CD1-CB 4.19Å; N215-C238 PolarHBondContact ND2-O 3.26Å; L234-C238 PolarHBondContact O-N 2.93Å; L234-C238 VanDerWaalsContact O-N 3.08Å; L234-C238 PolarHBondContact O-SG 3.09Å
239	V	95.5	Very high	94.6	Very high	19 Å²	19	65.2 Å²	65.2	12%	0.115	33%	0.327	C	S	.	.	S	Bend	trans	-123	133	-173.9	-173.1	0	0	0	0	109.4	F41 L45 I214 F243	F41-V239 HydrophobicContact CD1-CG1 4.44Å; F41-V239 HydrophobicContact CD1-CG2 4.04Å; L45-V239 HydrophobicContact CD1-CG2 3.68Å; I214-V239 HydrophobicContact CD1-CG2 4.43Å; I214-V239 HydrophobicContact CG2-CG2 4.34Å; V239-F243 HydrophobicContact CG1-CB 3.68Å; V239-F243 HydrophobicContact CG1-CD1 4.04Å; V239-F243 HydrophobicContact CG1-CD2 3.88Å; V239-F243 HydrophobicContact CG1-CG 3.61Å
240	E	93.1	Very high	94.6	Very high	35 Å²	35	65.3 Å²	65.3	16%	0.164	33%	0.328	C	S	.	.			trans	-70.8	144.9	177.9	-65.7	-60.1	156.4	0	0	112.4	N215 K224 R226 S242 F243 L256	N215-E240 HydrophobicContact CB-CG 3.7Å; N215-E240 VanDerWaalsContact CG-CG 3.49Å; N215-E240 WeakPolarHBondContact OD1-CG 3.38Å; N215-E240 PolarHBondContact OD1-N 2.94Å; K224-E240 VanDerWaalsContact CD-OE1 3.22Å; K224-E240 WeakPolarHBondContact CD-OE1 3.47Å; K224-E240 VanDerWaalsContact NZ-CD 3.27Å; K224-E240 IonicContact NZ-OE1 3.76Å; K224-E240 PolarHBondContact NZ-OE1 3.08Å; K224-E240 IonicContact NZ-OE2 3.21Å; K224-E240 PolarHBondContact NZ-OE2 3.32Å; R226-E240 IonicContact CZ-OE1 2.73Å; R226-E240 IonicContact NE-OE1 3.1Å; R226-E240 IonicContact NH2-OE1 3.38Å; R226-E240 PolarHBondContact NH2-OE1 2.81Å; E240-S242 PolarHBondContact O-N 2.97Å; E240-S242 VanDerWaalsContact O-N 3.15Å; E240-F243 WeakPolarHBondContact O-CB 3.39Å; E240-F243 PolarHBondContact O-N 3.14Å; E240-L256 HydrophobicContact CB-CD2 3.75Å; E240-L256 HydrophobicContact CG-CD2 4.02Å
241	D	89.6	Confident	94.9	Very high	177 Å²	177	63.1 Å²	63.1	95%	0.947	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-30.4	178.8	-68	-27.1	0	0	0	113	F243	D241-F243 VanDerWaalsContact C-N 3.33Å
242	S	91.7	Very high	95.1	Very high	39 Å²	39	52.6 Å²	52.6	27%	0.273	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	9.1	178.7	65.2	0	0	0	0	114.1	E240 D244 R257	E240-S242 PolarHBondContact O-N 2.97Å; E240-S242 VanDerWaalsContact O-N 3.15Å; S242-D244 PolarHBondContact O-N 2.95Å; S242-R257 PolarHBondContact OG-N 2.73Å
243	F	93.9	Very high	95.3	Very high	33 Å²	33	50.8 Å²	50.8	15%	0.145	25%	0.254	C	S	.	.			trans	-61.4	118.7	-175.9	-179.3	-85.1	0	0	0	111.5	F41 I214 N215 V239 E240 D241 L245 L254 L256	F41-F243 HydrophobicContact CB-CD1 4.06Å; F41-F243 HydrophobicContact CB-CE1 3.54Å; F41-F243 HydrophobicContact CB-CZ 4.31Å; F41-F243 AromaticContact CD1-CE1 3.83Å; F41-F243 HydrophobicContact CD1-CE1 3.83Å; F41-F243 HydrophobicContact CD1-CE2 4.42Å; F41-F243 AromaticContact CD1-CZ 3.72Å; F41-F243 HydrophobicContact CD1-CZ 3.72Å; F41-F243 HydrophobicContact CD2-CE1 4.1Å; F41-F243 HydrophobicContact CD2-CZ 4.23Å; F41-F243 HydrophobicContact CE1-CZ 4.05Å; F41-F243 HydrophobicContact CG-CD1 4.45Å; F41-F243 AromaticContact CG-CE1 3.56Å; F41-F243 HydrophobicContact CG-CE1 3.56Å; F41-F243 AromaticContact CG-CZ 3.82Å; F41-F243 HydrophobicContact CG-CZ 3.82Å; F41-F243 HydrophobicContact CZ-CZ 4.44Å; I214-F243 HydrophobicContact CG2-CD2 4.13Å; I214-F243 HydrophobicContact CG2-CE2 3.49Å; I214-F243 VanDerWaalsContact CG2-CE2 3.49Å; I214-F243 HydrophobicContact CG2-CZ 4.18Å; N215-F243 WeakPolarHBondContact OD1-CD2 3.36Å; V239-F243 HydrophobicContact CG1-CB 3.68Å; V239-F243 HydrophobicContact CG1-CD1 4.04Å; V239-F243 HydrophobicContact CG1-CD2 3.88Å; V239-F243 HydrophobicContact CG1-CG 3.61Å; E240-F243 WeakPolarHBondContact O-CB 3.39Å; E240-F243 PolarHBondContact O-N 3.14Å; D241-F243 VanDerWaalsContact C-N 3.33Å; F243-L245 HydrophobicContact CD1-CB 4.35Å; F243-L245 HydrophobicContact CE1-CB 3.47Å; F243-L245 VanDerWaalsContact CE1-CB 3.47Å; F243-L245 HydrophobicContact CE1-CD2 4.29Å; F243-L245 HydrophobicContact CE1-CG 4.42Å; F243-L245 HydrophobicContact CZ-CB 3.8Å; F243-L245 HydrophobicContact CZ-CD1 4.45Å; F243-L245 HydrophobicContact CZ-CD2 4.15Å; F243-L245 HydrophobicContact CZ-CG 4.36Å; F243-L254 HydrophobicContact CD2-CD1 3.46Å; F243-L254 VanDerWaalsContact CD2-CD1 3.46Å; F243-L254 HydrophobicContact CE2-CD1 3.21Å; F243-L254 HydrophobicContact CG-CD1 4.24Å; F243-L254 HydrophobicContact CZ-CD1 3.83Å; F243-L256 HydrophobicContact CB-CD2 4.45Å
244	D	93.1	Very high	95.3	Very high	68 Å²	68	47.7 Å²	47.7	36%	0.364	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	119.3	173	177.1	29.9	0	0	0	109.1	S242 K246 L254 G255	S242-D244 PolarHBondContact O-N 2.95Å; D244-K246 WeakPolarHBondContact OD2-CE 3.27Å; D244-K246 IonicContact OD2-NZ 3.71Å; D244-K246 PolarHBondContact OD2-NZ 3.33Å; D244-L254 CarbonylContact O-C 3.32Å; D244-L254 WeakPolarHBondContact O-CA 3.42Å; D244-G255 PolarHBondContact N-O 3.06Å; D244-G255 PolarHBondContact O-N 3.19Å
245	L	95.3	Very high	95.2	Very high	33 Å²	33	47.9 Å²	47.9	17%	0.173	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	118.1	178.7	-175.7	74.5	0	0	0	110.1	F41 F243 L252 T253 L254 I267 M407	F41-L245 HydrophobicContact CD2-CD2 3.94Å; F41-L245 HydrophobicContact CE2-CD2 3.91Å; F243-L245 HydrophobicContact CD1-CB 4.35Å; F243-L245 HydrophobicContact CE1-CB 3.47Å; F243-L245 VanDerWaalsContact CE1-CB 3.47Å; F243-L245 HydrophobicContact CE1-CD2 4.29Å; F243-L245 HydrophobicContact CE1-CG 4.42Å; F243-L245 HydrophobicContact CZ-CB 3.8Å; F243-L245 HydrophobicContact CZ-CD1 4.45Å; F243-L245 HydrophobicContact CZ-CD2 4.15Å; F243-L245 HydrophobicContact CZ-CG 4.36Å; L245-L252 HydrophobicContact CD1-CB 4.07Å; L245-L252 HydrophobicContact CD1-CD1 4.33Å; L245-T253 WeakPolarHBondContact CA-O 3.41Å; L245-L254 HydrophobicContact CD1-CB 4.35Å; L245-I267 HydrophobicContact CD1-CD1 4.26Å; L245-M407 HydrophobicContact CD2-CE 3.52Å; L245-M407 HydrophobicContact CD2-SD 3.92Å
246	K	95.2	Very high	95.2	Very high	101 Å²	101	48.5 Å²	48.5	44%	0.439	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	127	176.6	-56	171.5	177.2	134.6	0	110	D244 L252 T253	D244-K246 WeakPolarHBondContact OD2-CE 3.27Å; D244-K246 IonicContact OD2-NZ 3.71Å; D244-K246 PolarHBondContact OD2-NZ 3.33Å; K246-L252 WeakPolarHBondContact O-CA 3.2Å; K246-T253 WeakPolarHBondContact CB-OG1 3.39Å; K246-T253 PolarHBondContact N-O 3.34Å; K246-T253 PolarHBondContact O-N 3.39Å
247	V	94.8	Very high	94.8	Very high	81 Å²	81	51.8 Å²	51.8	49%	0.491	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	121.1	176.8	-174.6	0	0	0	0	108.7	L252 M407	V247-L252 HydrophobicContact CB-CD2 4.11Å; V247-L252 HydrophobicContact CG1-CD2 3.88Å; V247-L252 HydrophobicContact CG2-CD2 4.04Å; V247-M407 HydrophobicContact CG1-CB 4.29Å; V247-M407 HydrophobicContact CG2-CB 4.29Å; V247-M407 HydrophobicContact CG2-CE 3.96Å; V247-M407 HydrophobicContact CG2-CG 4.43Å
248	R	95.6	Very high	94	Very high	121 Å²	121	53 Å²	53	46%	0.457	26%	0.261	S	S	.	.			trans	-115.1	172.1	171	-58.7	-173.4	-176.1	-80	5.3	109.8	Y251	R248-Y251 CarbonylContact C-O 3.57Å; R248-Y251 WeakPolarHBondContact CA-O 3.4Å; R248-Y251 WeakPolarHBondContact CB-O 3.43Å; R248-Y251 WeakPolarHBondContact CD-OH 3.43Å; R248-Y251 HydrophobicContact CG-CE2 4.38Å; R248-Y251 PolarHBondContact N-O 3.13Å
249	A	95.1	Very high	92.8	Very high	24 Å²	24	58.4 Å²	58.4	20%	0.198	29%	0.29	C	S	.	.	S	Bend	trans	-60.6	-47.5	-179.9	0	0	0	0	0	111.5	R403 F404	A249-R403 HydrophobicContact CB-CG 4.5Å; A249-R403 CarbonylContact O-C 3.47Å; A249-R403 WeakPolarHBondContact O-CA 3.49Å; A249-F404 HydrophobicContact CB-CD1 3.81Å; A249-F404 HydrophobicContact CB-CE1 3.41Å; A249-F404 VanDerWaalsContact CB-CE1 3.41Å; A249-F404 HydrophobicContact CB-CZ 3.87Å; A249-F404 PolarHBondContact O-N 3.44Å
250	D	95.5	Very high	91.9	Very high	76 Å²	76	60.8 Å²	60.8	41%	0.406	32%	0.319	S	S	.	.	S	Bend	trans	-108.6	0.1	-168.3	-48	-57.8	0	0	0	113.5	R403 H406	D250-R403 VanDerWaalsContact OD1-CD 3.3Å; D250-R403 WeakPolarHBondContact OD1-CD 3.49Å; D250-R403 VanDerWaalsContact OD1-CG 3.25Å; D250-R403 WeakPolarHBondContact OD1-CG 3.26Å; D250-R403 IonicContact OD1-NE 3.94Å; D250-R403 PolarHBondContact OD1-NE 3.22Å; D250-H406 VanDerWaalsContact C-CD2 3.49Å; D250-H406 PolarHBondContact O-CE1 3.42Å; D250-H406 PolarHBondContact O-NE2 2.95Å
251	Y	97.5	Very high	91.3	Very high	48 Å²	48	64.6 Å²	64.6	19%	0.188	33%	0.331	C	S	.	.			trans	-168.4	173.6	179.5	57.1	-87	0	0	0	112.2	R248 T253 R266	R248-Y251 CarbonylContact C-O 3.57Å; R248-Y251 WeakPolarHBondContact CA-O 3.4Å; R248-Y251 WeakPolarHBondContact CB-O 3.43Å; R248-Y251 WeakPolarHBondContact CD-OH 3.43Å; R248-Y251 HydrophobicContact CG-CE2 4.38Å; R248-Y251 PolarHBondContact N-O 3.13Å; Y251-T253 HydrophobicContact CD2-CG2 3.81Å; Y251-T253 HydrophobicContact CE2-CG2 3.53Å; Y251-R266 HydrophobicContact CD2-CG 3.68Å; Y251-R266 HydrophobicContact CE2-CG 4.33Å; Y251-R266 HydrophobicContact CG-CG 4.04Å
252	L	98.2	Very high	91.3	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	154.8	163.4	-42.8	171.9	0	0	0	109.8	L245 K246 V247 R266 I267 H406 M407 F410	L245-L252 HydrophobicContact CD1-CB 4.07Å; L245-L252 HydrophobicContact CD1-CD1 4.33Å; K246-L252 WeakPolarHBondContact O-CA 3.2Å; V247-L252 HydrophobicContact CB-CD2 4.11Å; V247-L252 HydrophobicContact CG1-CD2 3.88Å; V247-L252 HydrophobicContact CG2-CD2 4.04Å; L252-R266 WeakPolarHBondContact O-CA 3.3Å; L252-I267 HydrophobicContact CB-CB 4.05Å; L252-I267 HydrophobicContact CB-CD1 4.4Å; L252-I267 HydrophobicContact CB-CG1 4.45Å; L252-I267 HydrophobicContact CD1-CB 4.49Å; L252-I267 HydrophobicContact CD1-CD1 4.43Å; L252-I267 PolarHBondContact N-O 3.5Å; L252-I267 PolarHBondContact O-N 3.27Å; L252-H406 HydrophobicContact CD2-CB 3.9Å; L252-H406 HydrophobicContact CG-CB 3.89Å; L252-M407 HydrophobicContact CD2-CB 4.19Å; L252-F410 HydrophobicContact CD1-CB 3.67Å; L252-F410 HydrophobicContact CD1-CD1 3.97Å; L252-F410 HydrophobicContact CD1-CG 3.88Å
253	T	98	Very high	91.3	Very high	4 Å²	4	60.8 Å²	60.8	3%	0.025	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	132.7	164.8	62.4	0	0	0	0	110.1	L245 K246 Y251 A265	L245-T253 WeakPolarHBondContact CA-O 3.41Å; K246-T253 WeakPolarHBondContact CB-OG1 3.39Å; K246-T253 PolarHBondContact N-O 3.34Å; K246-T253 PolarHBondContact O-N 3.39Å; Y251-T253 HydrophobicContact CD2-CG2 3.81Å; Y251-T253 HydrophobicContact CE2-CG2 3.53Å; T253-A265 CarbonylContact C-O 3.51Å; T253-A265 VanDerWaalsContact CA-O 3.28Å; T253-A265 WeakPolarHBondContact CA-O 3.42Å
254	L	97.3	Very high	91.4	Very high	1 Å²	1	62.1 Å²	62.1	1%	0.005	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	114.4	177.9	171.8	62.9	0	0	0	109.3	I214 H216 F243 D244 L245 T264 A265 I267	I214-L254 WeakPolarHBondContact O-CD2 3.14Å; H216-L254 HydrophobicContact CB-CD2 4.12Å; H216-L254 WeakPolarHBondContact O-CD2 3.39Å; F243-L254 HydrophobicContact CD2-CD1 3.46Å; F243-L254 VanDerWaalsContact CD2-CD1 3.46Å; F243-L254 HydrophobicContact CE2-CD1 3.21Å; F243-L254 HydrophobicContact CG-CD1 4.24Å; F243-L254 HydrophobicContact CZ-CD1 3.83Å; D244-L254 CarbonylContact O-C 3.32Å; D244-L254 WeakPolarHBondContact O-CA 3.42Å; L245-L254 HydrophobicContact CD1-CB 4.35Å; L254-T264 CarbonylContact O-C 3.43Å; L254-T264 VanDerWaalsContact O-CA 3.29Å; L254-T264 WeakPolarHBondContact O-CA 2.97Å; L254-A265 HydrophobicContact CB-CB 4.5Å; L254-A265 PolarHBondContact N-O 3.08Å; L254-A265 PolarHBondContact O-N 3.31Å; L254-I267 HydrophobicContact CB-CD1 4.03Å; L254-I267 HydrophobicContact CB-CG1 4.45Å; L254-I267 HydrophobicContact CD2-CD1 4.47Å
255	G	96	Very high	91.6	Very high	10 Å²	10	58.9 Å²	58.9	10%	0.103	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	139.1	173.9	0	0	0	0	0	111.8	D244 S263	D244-G255 PolarHBondContact N-O 3.06Å; D244-G255 PolarHBondContact O-N 3.19Å; G255-S263 CarbonylContact C-O 3.55Å; G255-S263 WeakPolarHBondContact CA-O 3.44Å
256	L	95	Very high	91.7	Very high	13 Å²	13	58 Å²	58	7%	0.068	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	151.3	173.2	-68.4	170.7	0	0	0	109.8	N215 N217 E240 F243 N262 S263	N215-L256 HydrophobicContact CB-CD1 4.08Å; N215-L256 HydrophobicContact CB-CD2 4.44Å; N215-L256 WeakPolarHBondContact O-CD1 3.48Å; N217-L256 HydrophobicContact CB-CD1 3.92Å; E240-L256 HydrophobicContact CB-CD2 3.75Å; E240-L256 HydrophobicContact CG-CD2 4.02Å; F243-L256 HydrophobicContact CB-CD2 4.45Å; L256-N262 CarbonylContact O-C 3.54Å; L256-N262 WeakPolarHBondContact O-CA 3.24Å; L256-S263 PolarHBondContact N-O 3.3Å; L256-S263 PolarHBondContact O-N 2.66Å
257	R	88.9	Confident	91.9	Very high	172 Å²	172	53.2 Å²	53.2	65%	0.649	28%	0.276	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.4	110.7	173.4	-171.8	177.4	71.7	178.1	0.8	110	S242 R261 N262	S242-R257 PolarHBondContact OG-N 2.73Å; R257-R261 CarbonylContact C-O 3.57Å; R257-R261 WeakPolarHBondContact CA-O 3.25Å; R257-N262 WeakPolarHBondContact CG-OD1 3.46Å
258	E	78.3	Confident	92	Very high	59 Å²	59	49.6 Å²	49.6	28%	0.276	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	131.1	-179.2	-165.9	173.6	-180	0	0	110.7	N217 S220 G260 R261	N217-E258 PolarHBondContact ND2-OE2 2.91Å; S220-E258 PolarHBondContact OG-OE2 3.41Å; E258-G260 PolarHBondContact O-N 3.48Å; E258-R261 PolarHBondContact N-O 3.13Å; E258-R261 PolarHBondContact O-N 3.29Å
259	N	72.2	Confident	92.2	Very high	112 Å²	112	43.8 Å²	43.8	60%	0.599	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.4	30.2	-179.5	-58.1	-40.8	0	0	0	114.7	R261 Y872	N259-R261 VanDerWaalsContact C-N 3.31Å; N259-Y872 HydrophobicContact CB-CD1 4.49Å; N259-Y872 HydrophobicContact CB-CE1 4.5Å
260	G	75.4	Confident	92.3	Very high	70 Å²	70	42.7 Å²	42.7	72%	0.722	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	81.8	0.2	-178.4	0	0	0	0	0	115.1	E258	E258-G260 PolarHBondContact O-N 3.48Å
261	R	81.6	Confident	92.4	Very high	115 Å²	115	39.4 Å²	39.4	43%	0.434	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	139.9	170.8	-64.4	-173.9	-178.9	-164.4	0.1	109.7	R257 E258 N259 E868 Y872	R257-R261 CarbonylContact C-O 3.57Å; R257-R261 WeakPolarHBondContact CA-O 3.25Å; E258-R261 PolarHBondContact N-O 3.13Å; E258-R261 PolarHBondContact O-N 3.29Å; N259-R261 VanDerWaalsContact C-N 3.31Å; R261-E868 IonicContact CZ-OE1 3.81Å; R261-E868 IonicContact NH1-OE1 3.65Å; R261-E868 PolarHBondContact NH1-OE1 3.44Å; R261-Y872 VanDerWaalsContact CZ-OH 3.25Å; R261-Y872 PolarHBondContact NE-OH 3.02Å; R261-Y872 PolarHBondContact NH2-OH 3.46Å
262	N	88.9	Confident	92.4	Very high	126 Å²	126	37.3 Å²	37.3	67%	0.674	20%	0.197	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-88.8	136.9	167.5	-69.5	-18.1	0	0	0	108.2	L256 R257	L256-N262 CarbonylContact O-C 3.54Å; L256-N262 WeakPolarHBondContact O-CA 3.24Å; R257-N262 WeakPolarHBondContact CG-OD1 3.46Å
263	S	92.2	Very high	92.3	Very high	10 Å²	10	39.1 Å²	39.1	7%	0.07	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	142.5	170.9	-167.4	0	0	0	0	109.3	N217 P218 D219 G255 L256	N217-S263 VanDerWaalsContact OD1-CB 3.24Å; N217-S263 WeakPolarHBondContact OD1-CB 3.21Å; N217-S263 PolarHBondContact OD1-OG 2.83Å; P218-S263 VanDerWaalsContact CD-OG 3.29Å; P218-S263 WeakPolarHBondContact CD-OG 3.26Å; P218-S263 WeakPolarHBondContact CG-OG 3.43Å; D219-S263 WeakPolarHBondContact OD2-CB 3.47Å; D219-S263 PolarHBondContact OD2-OG 3.4Å; G255-S263 CarbonylContact C-O 3.55Å; G255-S263 WeakPolarHBondContact CA-O 3.44Å; L256-S263 PolarHBondContact N-O 3.3Å; L256-S263 PolarHBondContact O-N 2.66Å
264	T	95.9	Very high	92.2	Very high	60 Å²	60	46.1 Å²	46.1	37%	0.368	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	120.7	-179.8	-50.6	0	0	0	0	110	L254 D376	L254-T264 CarbonylContact O-C 3.43Å; L254-T264 VanDerWaalsContact O-CA 3.29Å; L254-T264 WeakPolarHBondContact O-CA 2.97Å; T264-D376 HydrophobicContact CG2-CB 3.77Å; T264-D376 PolarHBondContact O-N 3.03Å
265	A	97.1	Very high	92.1	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.008	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	148.5	168.6	0	0	0	0	0	111.6	P218 T253 L254 C374	P218-A265 HydrophobicContact CG-CB 4.32Å; T253-A265 CarbonylContact C-O 3.51Å; T253-A265 VanDerWaalsContact CA-O 3.28Å; T253-A265 WeakPolarHBondContact CA-O 3.42Å; L254-A265 HydrophobicContact CB-CB 4.5Å; L254-A265 PolarHBondContact N-O 3.08Å; L254-A265 PolarHBondContact O-N 3.31Å; A265-C374 CarbonylContact C-O 3.57Å; A265-C374 WeakPolarHBondContact CA-O 3.3Å
266	R	97.7	Very high	92.1	Very high	14 Å²	14	49.7 Å²	49.7	5%	0.053	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	134	165	-173.7	173.3	-63.9	-171.6	-1.4	109.5	Y251 L252 L268 F373 C374 D376 N377 N378 A381	Y251-R266 HydrophobicContact CD2-CG 3.68Å; Y251-R266 HydrophobicContact CE2-CG 4.33Å; Y251-R266 HydrophobicContact CG-CG 4.04Å; L252-R266 WeakPolarHBondContact O-CA 3.3Å; R266-L268 HydrophobicContact CG-CD2 4.32Å; R266-L268 HydrophobicContact CG-CG 4.47Å; R266-F373 WeakPolarHBondContact O-CA 3.27Å; R266-C374 PolarHBondContact N-O 3.05Å; R266-C374 PolarHBondContact O-N 2.62Å; R266-D376 HydrophobicContact CB-CB 4.41Å; R266-D376 IonicContact CZ-OD1 3.49Å; R266-D376 IonicContact NE-OD1 3.83Å; R266-D376 PolarHBondContact NE-OD1 2.98Å; R266-D376 IonicContact NH2-OD1 3.7Å; R266-D376 PolarHBondContact NH2-OD1 2.85Å; R266-N377 PolarHBondContact NH1-O 2.86Å; R266-N378 PolarHBondContact NH1-OD1 3.17Å; R266-N378 PolarHBondContact NH2-OD1 2.93Å; R266-A381 VanDerWaalsContact CD-CB 3.5Å
267	I	98.4	Very high	92	Very high	0 Å²	0	58 Å²	58	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	117.5	178.2	-48.2	178.8	0	0	0	108.9	L245 L252 L254 T371 A372 F373 F410	L245-I267 HydrophobicContact CD1-CD1 4.26Å; L252-I267 HydrophobicContact CB-CB 4.05Å; L252-I267 HydrophobicContact CB-CD1 4.4Å; L252-I267 HydrophobicContact CB-CG1 4.45Å; L252-I267 HydrophobicContact CD1-CB 4.49Å; L252-I267 HydrophobicContact CD1-CD1 4.43Å; L252-I267 PolarHBondContact N-O 3.5Å; L252-I267 PolarHBondContact O-N 3.27Å; L254-I267 HydrophobicContact CB-CD1 4.03Å; L254-I267 HydrophobicContact CB-CG1 4.45Å; L254-I267 HydrophobicContact CD2-CD1 4.47Å; I267-T371 HydrophobicContact CG2-CG2 3.57Å; I267-A372 WeakPolarHBondContact CA-O 3.47Å; I267-F373 HydrophobicContact CD1-CD1 4.32Å; I267-F373 HydrophobicContact CD1-CE1 3.98Å; I267-F373 HydrophobicContact CG1-CD1 3.87Å; I267-F373 HydrophobicContact CG1-CE1 3.98Å; I267-F373 HydrophobicContact CG2-CD1 4.41Å; I267-F373 HydrophobicContact CG2-CE1 4.19Å; I267-F410 HydrophobicContact CD1-CD2 4.17Å; I267-F410 HydrophobicContact CD1-CE1 4.42Å; I267-F410 HydrophobicContact CD1-CE2 3.83Å; I267-F410 HydrophobicContact CD1-CZ 3.96Å; I267-F410 HydrophobicContact CG2-CD2 4Å; I267-F410 HydrophobicContact CG2-CE2 4.44Å
268	L	98.2	Very high	92.1	Very high	5 Å²	5	55.2 Å²	55.2	3%	0.026	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	139.9	175.9	-59.8	173.2	0	0	0	108.9	R266 F270 T371 A372 A381 V384	R266-L268 HydrophobicContact CG-CD2 4.32Å; R266-L268 HydrophobicContact CG-CG 4.47Å; L268-F270 HydrophobicContact CB-CE2 3.68Å; L268-F270 HydrophobicContact CB-CZ 4.06Å; L268-T371 CarbonylContact O-C 3.41Å; L268-T371 WeakPolarHBondContact O-CA 3.36Å; L268-A372 PolarHBondContact N-O 2.75Å; L268-A372 PolarHBondContact O-N 3.14Å; L268-A381 HydrophobicContact CD1-CB 4.38Å; L268-V384 HydrophobicContact CD1-CB 4.46Å; L268-V384 HydrophobicContact CD1-CG1 4.08Å
269	N	98.4	Very high	92.8	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	146.1	176.7	-73.9	-82.7	0	0	0	109.1	N369 I370 T371 P402 H406 N409	N269-N369 PolarHBondContact OD1-ND2 2.79Å; N269-I370 CarbonylContact C-O 3.58Å; N269-I370 WeakPolarHBondContact CA-O 3.46Å; N269-T371 WeakPolarHBondContact OD1-CB 3.47Å; N269-T371 PolarHBondContact OD1-OG1 3.5Å; N269-P402 HydrophobicContact CB-CG 3.87Å; N269-P402 WeakPolarHBondContact O-CD 3.34Å; N269-H406 PolarHBondContact N-ND1 3.26Å; N269-H406 PolarHBondContact ND2-O 2.9Å; N269-H406 VanDerWaalsContact ND2-O 3.13Å; N269-N409 HydrophobicContact CB-CB 3.71Å
270	F	98.2	Very high	93.9	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	141.9	176.2	-56.8	-86.9	0	0	0	109.2	L268 N369 I370 E385 I388 L389 L399 I400	L268-F270 HydrophobicContact CB-CE2 3.68Å; L268-F270 HydrophobicContact CB-CZ 4.06Å; F270-N369 CarbonylContact O-C 3.58Å; F270-N369 VanDerWaalsContact O-CA 3.26Å; F270-N369 WeakPolarHBondContact O-CA 3.48Å; F270-N369 PolarHBondContact O-OD1 3.06Å; F270-N369 VanDerWaalsContact O-OD1 3.11Å; F270-I370 HydrophobicContact CB-CB 4.37Å; F270-I370 PolarHBondContact N-O 2.96Å; F270-I370 PolarHBondContact O-N 2.82Å; F270-E385 HydrophobicContact CE1-CB 4.41Å; F270-E385 HydrophobicContact CE1-CG 3.82Å; F270-E385 HydrophobicContact CZ-CB 3.95Å; F270-E385 HydrophobicContact CZ-CG 3.88Å; F270-I388 HydrophobicContact CD2-CD1 3.92Å; F270-I388 HydrophobicContact CD2-CG2 3.9Å; F270-I388 HydrophobicContact CE2-CB 4.47Å; F270-I388 HydrophobicContact CE2-CD1 3.55Å; F270-I388 HydrophobicContact CE2-CG2 4.29Å; F270-I388 HydrophobicContact CG-CG2 4.09Å; F270-I388 HydrophobicContact CZ-CD1 4.41Å; F270-L389 HydrophobicContact CD1-CD2 4.01Å; F270-L389 HydrophobicContact CE1-CD2 4.29Å; F270-L389 HydrophobicContact CE1-CG 4.42Å; F270-L399 HydrophobicContact CB-CB 4.41Å; F270-L399 HydrophobicContact CB-CD1 4.28Å; F270-I400 WeakPolarHBondContact CA-O 3.38Å
271	H	97.5	Very high	94.9	Very high	7 Å²	7	49 Å²	49	3%	0.032	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	164.5	175.7	65.8	-84.7	0	0	0	111.5	A273 F367 L368 L399 I400 N409	H271-A273 PolarHBondContact O-N 3.38Å; H271-F367 HydrophobicContact CB-CE2 3.6Å; H271-F367 HydrophobicContact CB-CZ 3.79Å; H271-F367 AromaticContact CD2-CE2 4Å; H271-F367 AromaticContact CG-CE2 3.8Å; H271-L368 VanDerWaalsContact CA-O 3.31Å; H271-L368 WeakPolarHBondContact CA-O 3.29Å; H271-L368 WeakPolarHBondContact CB-O 3.34Å; H271-L399 CarbonylContact O-C 3.59Å; H271-L399 WeakPolarHBondContact O-CA 3.48Å; H271-I400 PolarHBondContact N-O 3.42Å; H271-I400 VanDerWaalsContact NE2-CD1 3.29Å; H271-I400 WeakPolarHBondContact NE2-CD1 3.28Å; H271-I400 WeakPolarHBondContact O-CG1 3.46Å; H271-I400 PolarHBondContact O-N 3.24Å; H271-N409 PolarHBondContact ND1-ND2 3.42Å
272	L	97.1	Very high	95.3	Very high	4 Å²	4	48.3 Å²	48.3	2%	0.021	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	129.8	180	-69.3	173.8	0	0	0	112.3	Y366 L368 F397 E398 L399 Q433	L272-Y366 HydrophobicContact CD1-CE2 3.98Å; L272-L368 HydrophobicContact CD1-CB 3.73Å; L272-L368 HydrophobicContact CD1-CD2 3.68Å; L272-L368 HydrophobicContact CD1-CG 4.33Å; L272-L368 HydrophobicContact CD2-CD2 4.4Å; L272-L368 HydrophobicContact CG-CB 4.07Å; L272-L368 HydrophobicContact CG-CD2 4Å; L272-L368 PolarHBondContact N-O 2.97Å; L272-F397 HydrophobicContact CD2-CB 4.12Å; L272-F397 HydrophobicContact CD2-CD1 3.81Å; L272-F397 HydrophobicContact CD2-CG 4.47Å; L272-E398 WeakPolarHBondContact CA-O 3.33Å; L272-L399 HydrophobicContact CD2-CD2 3.83Å; L272-L399 HydrophobicContact CG-CD2 4.35Å; L272-Q433 PolarHBondContact O-NE2 2.94Å
273	A	95.8	Very high	95.4	Very high	39 Å²	39	45.3 Å²	45.3	32%	0.322	22%	0.224	S	C	.	.	S	Bend	trans	-71	-38.2	171.1	0	0	0	0	0	112.1	H271 E398 I400 Q433	H271-A273 PolarHBondContact O-N 3.38Å; A273-E398 HydrophobicContact CB-CB 4.37Å; A273-E398 HydrophobicContact CB-CG 4.03Å; A273-E398 PolarHBondContact N-O 2.76Å; A273-I400 HydrophobicContact CB-CG1 4.36Å; A273-I400 HydrophobicContact CB-CG2 3.97Å; A273-Q433 PolarHBondContact O-NE2 3.43Å
274	R	95.4	Very high	95.5	Very high	151 Å²	151	45 Å²	45	57%	0.57	22%	0.222	S	C	*	.	S	Bend	trans	-152.7	168.1	-179.6	55.3	178.3	162.5	172.4	-2.4	111	E398	R274-E398 IonicContact CZ-OE2 3.42Å; R274-E398 IonicContact NE-OE2 3.96Å; R274-E398 PolarHBondContact NE-OE2 2.81Å; R274-E398 IonicContact NH2-OE2 3.72Å; R274-E398 PolarHBondContact NH2-OE2 3.37Å
275	N	96.6	Very high	95.4	Very high	63 Å²	63	42.1 Å²	42.1	34%	0.337	20%	0.204	S	C	.	.			trans	-56.3	135.2	169.9	-72.6	-28.9	0	0	0	110.5	Y366 Q433 R434	N275-Y366 PolarHBondContact OD1-OH 3.45Å; N275-Q433 WeakPolarHBondContact OD1-CB 3.49Å; N275-R434 PolarHBondContact ND2-O 2.93Å
276	P	95.7	Very high	95.3	Very high	22 Å²	22	43.1 Å²	43.1	14%	0.143	21%	0.21	C	C	.	.			trans	-66.3	147.8	168.9	29.9	-34.2	0	0	0	110	A279 F397 L443	P276-A279 HydrophobicContact CG-CB 4.09Å; P276-F397 HydrophobicContact CB-CD1 4.1Å; P276-F397 HydrophobicContact CB-CE1 4.1Å; P276-F397 HydrophobicContact CB-CG 4.45Å; P276-F397 HydrophobicContact CB-CZ 4.39Å; P276-F397 HydrophobicContact CG-CD1 4.12Å; P276-F397 HydrophobicContact CG-CE1 3.79Å; P276-F397 HydrophobicContact CG-CZ 4.29Å; P276-L443 HydrophobicContact CG-CD2 4Å
277	E	92	Very high	95.2	Very high	187 Å²	187	42.5 Å²	42.5	87%	0.874	21%	0.207	S	C	*	.	S	Bend	trans	-67.9	-37.7	178.2	-66.5	-175	172.9	0	0	112
278	I	91.5	Very high	95	Very high	114 Å²	114	42.7 Å²	42.7	59%	0.585	21%	0.208	S	C	*	.			trans	-139.5	131.2	179.9	-59.8	177.6	0	0	0	108.1	F280	I278-F280 HydrophobicContact CG2-CD2 3.97Å; I278-F280 HydrophobicContact CG2-CE2 3.32Å; I278-F280 HydrophobicContact CG2-CZ 3.75Å
279	A	93.6	Very high	94.8	Very high	25 Å²	25	42.5 Å²	42.5	21%	0.207	21%	0.207	C	C	.	.			trans	-143.4	138.2	172	0	0	0	0	0	109.9	P276 F397 N442 L443	P276-A279 HydrophobicContact CG-CB 4.09Å; A279-F397 HydrophobicContact CB-CZ 3.9Å; A279-N442 WeakPolarHBondContact O-CB 3.43Å; A279-L443 HydrophobicContact CB-CD2 3.56Å
280	F	94.9	Very high	94.6	Very high	87 Å²	87	42.9 Å²	42.9	38%	0.382	21%	0.209	S	C	.	.			trans	-126.3	137.5	175	-61.3	-74	0	0	0	109.3	I278 W282 N283 M284 N442	I278-F280 HydrophobicContact CG2-CD2 3.97Å; I278-F280 HydrophobicContact CG2-CE2 3.32Å; I278-F280 HydrophobicContact CG2-CZ 3.75Å; F280-W282 HydrophobicContact CB-CD2 3.87Å; F280-W282 VanDerWaalsContact CB-CE2 3.46Å; F280-W282 HydrophobicContact CB-CE3 4.36Å; F280-W282 HydrophobicContact CB-CG 4.34Å; F280-W282 HydrophobicContact CB-CH2 4.16Å; F280-W282 HydrophobicContact CB-CZ2 3.64Å; F280-W282 HydrophobicContact CB-CZ3 4.49Å; F280-W282 AromaticContact CD1-CH2 3.52Å; F280-W282 HydrophobicContact CD1-CH2 3.52Å; F280-W282 AromaticContact CD1-CZ2 3.29Å; F280-W282 HydrophobicContact CD1-CZ2 3.29Å; F280-W282 HydrophobicContact CD1-CZ3 4.42Å; F280-W282 HydrophobicContact CD2-CZ2 4.35Å; F280-W282 HydrophobicContact CE1-CH2 4.24Å; F280-W282 AromaticContact CE1-CZ2 3.99Å; F280-W282 HydrophobicContact CE1-CZ2 3.99Å; F280-W282 AromaticContact CG-CE2 3.8Å; F280-W282 HydrophobicContact CG-CH2 4.11Å; F280-W282 AromaticContact CG-CZ2 3.51Å; F280-W282 HydrophobicContact CG-CZ2 3.51Å; F280-W282 PolarHBondContact O-N 3.38Å; F280-N283 HydrophobicContact CB-CB 4.31Å; F280-N283 PolarHBondContact O-N 3.28Å; F280-M284 PolarHBondContact O-N 3.44Å; F280-N442 CarbonylContact C-O 3.43Å
281	L	95.6	Very high	94.3	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-53.7	-41.7	-178.7	-176.7	55.8	0	0	0	112.2	I72 A75 I79 V80 L83 N283 M284 N442 M444 V447	I72-L281 HydrophobicContact CD1-CD2 4.39Å; A75-L281 HydrophobicContact CB-CB 3.83Å; A75-L281 HydrophobicContact CB-CD2 3.61Å; A75-L281 HydrophobicContact CB-CG 3.59Å; I79-L281 HydrophobicContact CG2-CD2 4.06Å; V80-L281 HydrophobicContact CG2-CB 3.86Å; V80-L281 HydrophobicContact CG2-CD2 3.96Å; L83-L281 HydrophobicContact CD1-CD2 3.56Å; L281-N283 VanDerWaalsContact C-N 3.29Å; L281-N283 PolarHBondContact O-N 2.93Å; L281-M284 WeakPolarHBondContact O-CB 3.47Å; L281-M284 PolarHBondContact O-N 2.89Å; L281-N442 WeakPolarHBondContact CA-O 3.49Å; L281-N442 PolarHBondContact N-O 2.73Å; L281-N442 PolarHBondContact N-OD1 3.34Å; L281-M444 HydrophobicContact CD1-CB 4.25Å; L281-M444 WeakPolarHBondContact CD1-O 3.34Å; L281-V447 HydrophobicContact CD1-CG2 4.42Å; L281-V447 HydrophobicContact CG-CG2 4.26Å; L281-V447 VanDerWaalsContact O-CG2 3.29Å; L281-V447 WeakPolarHBondContact O-CG2 3.32Å
282	W	90.5	Very high	94.1	Very high	99 Å²	99	45.2 Å²	45.2	38%	0.375	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-69.4	-22.4	179.8	55.4	84.7	0	0	0	114	A75 F280	A75-W282 HydrophobicContact CB-CB 4.16Å; A75-W282 HydrophobicContact CB-CE3 4.28Å; F280-W282 HydrophobicContact CB-CD2 3.87Å; F280-W282 VanDerWaalsContact CB-CE2 3.46Å; F280-W282 HydrophobicContact CB-CE3 4.36Å; F280-W282 HydrophobicContact CB-CG 4.34Å; F280-W282 HydrophobicContact CB-CH2 4.16Å; F280-W282 HydrophobicContact CB-CZ2 3.64Å; F280-W282 HydrophobicContact CB-CZ3 4.49Å; F280-W282 AromaticContact CD1-CH2 3.52Å; F280-W282 HydrophobicContact CD1-CH2 3.52Å; F280-W282 AromaticContact CD1-CZ2 3.29Å; F280-W282 HydrophobicContact CD1-CZ2 3.29Å; F280-W282 HydrophobicContact CD1-CZ3 4.42Å; F280-W282 HydrophobicContact CD2-CZ2 4.35Å; F280-W282 HydrophobicContact CE1-CH2 4.24Å; F280-W282 AromaticContact CE1-CZ2 3.99Å; F280-W282 HydrophobicContact CE1-CZ2 3.99Å; F280-W282 AromaticContact CG-CE2 3.8Å; F280-W282 HydrophobicContact CG-CH2 4.11Å; F280-W282 AromaticContact CG-CZ2 3.51Å; F280-W282 HydrophobicContact CG-CZ2 3.51Å; F280-W282 PolarHBondContact O-N 3.38Å
283	N	90.5	Very high	93.8	Very high	64 Å²	64	46.6 Å²	46.6	34%	0.342	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-87.1	-10.1	176.1	-74.7	6.8	0	0	0	112.8	F280 L281 A285 D286	F280-N283 HydrophobicContact CB-CB 4.31Å; F280-N283 PolarHBondContact O-N 3.28Å; L281-N283 VanDerWaalsContact C-N 3.29Å; L281-N283 PolarHBondContact O-N 2.93Å; N283-A285 PolarHBondContact O-N 3.24Å; N283-A285 VanDerWaalsContact O-N 3.17Å; N283-D286 WeakPolarHBondContact O-CB 3.41Å; N283-D286 PolarHBondContact O-N 3.16Å
284	M	94.2	Very high	93.6	Very high	3 Å²	3	46 Å²	46	2%	0.015	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-58.4	-33.4	-177.2	-80.8	-58.5	-59.1	0	0	113.1	F280 L281 D286 N287 L304 F397 N442 L443	F280-M284 PolarHBondContact O-N 3.44Å; L281-M284 WeakPolarHBondContact O-CB 3.47Å; L281-M284 PolarHBondContact O-N 2.89Å; M284-D286 VanDerWaalsContact C-N 3.34Å; M284-N287 WeakPolarHBondContact O-CB 3.43Å; M284-N287 PolarHBondContact O-N 2.88Å; M284-N287 PolarHBondContact O-ND2 3.33Å; M284-L304 HydrophobicContact CE-CD2 4.4Å; M284-F397 HydrophobicContact SD-CE1 4.17Å; M284-F397 HydrophobicContact SD-CZ 3.81Å; M284-N442 VanDerWaalsContact CG-O 3.28Å; M284-N442 WeakPolarHBondContact CG-O 3.43Å; M284-L443 HydrophobicContact SD-CD2 4.27Å
285	A	94.9	Very high	93.4	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-74.2	-24.6	178.7	0	0	0	0	0	113.6	N283 N287 Y288 S289 V447 R463	N283-A285 PolarHBondContact O-N 3.24Å; N283-A285 VanDerWaalsContact O-N 3.17Å; A285-N287 PolarHBondContact O-N 3.27Å; A285-Y288 HydrophobicContact CB-CE1 3.76Å; A285-Y288 HydrophobicContact CB-CE2 4.41Å; A285-Y288 WeakPolarHBondContact CB-OH 3.49Å; A285-Y288 PolarHBondContact O-N 3.17Å; A285-S289 CarbonylContact O-C 3.6Å; A285-S289 PolarHBondContact O-N 3.29Å; A285-S289 VanDerWaalsContact O-O 3.12Å; A285-V447 HydrophobicContact CB-CB 4.04Å; A285-V447 HydrophobicContact CB-CG1 3.77Å; A285-R463 VanDerWaalsContact CB-NH1 3.33Å
286	D	94.4	Very high	93.2	Very high	22 Å²	22	41.4 Å²	41.4	12%	0.118	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-72.2	-9.8	174.7	-73.3	-4	0	0	0	113	N283 M284 N395 R463	N283-D286 WeakPolarHBondContact O-CB 3.41Å; N283-D286 PolarHBondContact O-N 3.16Å; M284-D286 VanDerWaalsContact C-N 3.34Å; D286-N395 VanDerWaalsContact C-ND2 3.25Å; D286-N395 PolarHBondContact O-ND2 3.14Å; D286-R463 IonicContact OD1-CZ 3.6Å; D286-R463 IonicContact OD1-NE 3.02Å; D286-R463 IonicContact OD1-NH2 3.83Å; D286-R463 PolarHBondContact OD1-NH2 3.1Å
287	N	94.9	Very high	93.1	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.005	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-75.3	-33.1	171.7	-66.6	-39.1	0	0	0	112.4	M284 A285 S391 F392 N395 F397	M284-N287 WeakPolarHBondContact O-CB 3.43Å; M284-N287 PolarHBondContact O-N 2.88Å; M284-N287 PolarHBondContact O-ND2 3.33Å; A285-N287 PolarHBondContact O-N 3.27Å; N287-S391 WeakPolarHBondContact O-CB 3.28Å; N287-S391 PolarHBondContact O-OG 3.02Å; N287-F392 HydrophobicContact CB-CD1 3.88Å; N287-F392 HydrophobicContact CB-CD2 4.03Å; N287-F392 HydrophobicContact CB-CE1 3.6Å; N287-F392 HydrophobicContact CB-CE2 3.73Å; N287-F392 HydrophobicContact CB-CG 4.09Å; N287-F392 HydrophobicContact CB-CZ 3.51Å; N287-F392 VanDerWaalsContact O-CD2 3.23Å; N287-F392 WeakPolarHBondContact O-CD2 3.35Å; N287-F392 WeakPolarHBondContact O-CE2 3.13Å; N287-N395 PolarHBondContact N-ND2 3.45Å; N287-N395 WeakPolarHBondContact OD1-CB 3.28Å; N287-N395 PolarHBondContact OD1-ND2 3Å; N287-F397 VanDerWaalsContact ND2-CE2 3.34Å; N287-F397 WeakPolarHBondContact ND2-CE2 3.46Å; N287-F397 WeakPolarHBondContact OD1-CD2 3.28Å; N287-F397 WeakPolarHBondContact OD1-CE2 3.21Å
288	Y	94.5	Very high	93.2	Very high	3 Å²	3	31.7 Å²	31.7	1%	0.012	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.4	-21.6	179.4	67.8	-109.3	0	0	0	113.1	L101 Y159 A285 S297 I298 F302 L304 V447 A448	L101-Y288 HydrophobicContact CD1-CE1 4.24Å; L101-Y288 HydrophobicContact CD2-CD1 4.25Å; L101-Y288 HydrophobicContact CD2-CE1 3.89Å; Y159-Y288 HydrophobicContact CD1-CE2 4.45Å; Y159-Y288 HydrophobicContact CE1-CD2 4.17Å; Y159-Y288 AromaticContact CE1-CE2 3.8Å; Y159-Y288 HydrophobicContact CE1-CE2 3.8Å; Y159-Y288 HydrophobicContact CE2-CE2 4.45Å; Y159-Y288 AromaticContact CZ-CE2 3.82Å; A285-Y288 HydrophobicContact CB-CE1 3.76Å; A285-Y288 HydrophobicContact CB-CE2 4.41Å; A285-Y288 WeakPolarHBondContact CB-OH 3.49Å; A285-Y288 PolarHBondContact O-N 3.17Å; Y288-S297 CarbonylContact O-C 3.6Å; Y288-S297 VanDerWaalsContact O-CA 3.3Å; Y288-S297 WeakPolarHBondContact O-CA 3.43Å; Y288-I298 PolarHBondContact O-N 3.49Å; Y288-F302 HydrophobicContact CD1-CZ 4.35Å; Y288-F302 AromaticContact CD2-CZ 3.79Å; Y288-F302 HydrophobicContact CD2-CZ 3.79Å; Y288-F302 HydrophobicContact CG-CE2 4.22Å; Y288-F302 AromaticContact CG-CZ 3.65Å; Y288-F302 HydrophobicContact CG-CZ 3.65Å; Y288-L304 HydrophobicContact CD1-CD2 4.45Å; Y288-V447 PolarHBondContact OH-O 2.87Å; Y288-A448 WeakPolarHBondContact OH-CA 3.25Å; Y288-A448 WeakPolarHBondContact OH-CB 3.44Å
289	S	94.5	Very high	93	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.007	14%	0.141	C	C	.	.	B	Isolated β-bridge	trans	-157.4	104.5	169	-170.3	0	0	0	0	111.6	A285 S297 R463	A285-S289 CarbonylContact O-C 3.6Å; A285-S289 PolarHBondContact O-N 3.29Å; A285-S289 VanDerWaalsContact O-O 3.12Å; S289-S297 WeakPolarHBondContact CA-OG 3.22Å; S289-S297 PolarHBondContact OG-OG 2.97Å; S289-R463 PolarHBondContact O-NE 3.01Å; S289-R463 WeakPolarHBondContact OG-CA 3.38Å
290	N	94.1	Very high	93	Very high	8 Å²	8	27 Å²	27	4%	0.043	13%	0.134	C	C	.	.			trans	-80.2	127.6	-174.5	-166.7	-76.6	0	0	0	112.1	L292 N293 L296	N290-L292 PolarHBondContact OD1-N 2.79Å; N290-L292 VanDerWaalsContact OD1-N 3.08Å; N290-N293 HydrophobicContact CB-CB 4.49Å; N290-N293 WeakPolarHBondContact CB-O 3.24Å; N290-N293 PolarHBondContact OD1-N 2.88Å; N290-N293 PolarHBondContact OD1-ND2 3.11Å; N290-L296 HydrophobicContact CB-CB 4.02Å; N290-L296 WeakPolarHBondContact CB-O 3.44Å; N290-L296 PolarHBondContact N-O 3.41Å
291	L	92.4	Very high	93.1	Very high	11 Å²	11	23.3 Å²	23.3	6%	0.058	12%	0.119	C	C	.	.	S	Bend	trans	-66.3	-43.7	-179	-68.3	176.5	0	0	0	113.1	R463 L781 M785 W810	L291-R463 HydrophobicContact CD2-CG 4Å; L291-L781 HydrophobicContact CD1-CD2 4.41Å; L291-M785 VanDerWaalsContact C-SD 3.54Å; L291-M785 HydrophobicContact CB-CE 4Å; L291-M785 HydrophobicContact CB-SD 3.76Å; L291-M785 WeakPolarHBondContact O-CE 3.41Å; L291-W810 HydrophobicContact CD2-CG 4.44Å
292	L	92.5	Very high	93.2	Very high	45 Å²	45	23.4 Å²	23.4	24%	0.236	12%	0.119	C	C	.	.	S	Bend	trans	-84.1	-21.4	-174	-73.1	172.2	0	0	0	113.7	N290 L781 D784 M785 K788	N290-L292 PolarHBondContact OD1-N 2.79Å; N290-L292 VanDerWaalsContact OD1-N 3.08Å; L292-L781 HydrophobicContact CD1-CD1 4.1Å; L292-L781 HydrophobicContact CD2-CD1 4.34Å; L292-L781 HydrophobicContact CG-CD1 4.11Å; L292-D784 HydrophobicContact CD2-CB 3.74Å; L292-M785 HydrophobicContact CD2-CG 4.02Å; L292-M785 HydrophobicContact CD2-SD 3.64Å; L292-M785 HydrophobicContact CG-SD 4.1Å; L292-K788 HydrophobicContact CD2-CD 4.21Å; L292-K788 WeakPolarHBondContact O-CD 3.39Å; L292-K788 PolarHBondContact O-NZ 3.17Å
293	N	92.1	Very high	93.6	Very high	34 Å²	34	18.7 Å²	18.7	18%	0.182	10%	0.101	C	C	.	.			trans	-136.8	73	-174.6	-54.8	-74.3	0	0	0	108.6	N290 E295 L296 K394	N290-N293 HydrophobicContact CB-CB 4.49Å; N290-N293 WeakPolarHBondContact CB-O 3.24Å; N290-N293 PolarHBondContact OD1-N 2.88Å; N290-N293 PolarHBondContact OD1-ND2 3.11Å; N293-E295 VanDerWaalsContact CA-OE2 3.26Å; N293-E295 WeakPolarHBondContact CA-OE2 3.34Å; N293-E295 WeakPolarHBondContact CB-OE1 3.39Å; N293-E295 PolarHBondContact O-N 3.45Å; N293-L296 HydrophobicContact CB-CD1 3.98Å; N293-L296 HydrophobicContact CB-CG 4.39Å; N293-L296 WeakPolarHBondContact O-CB 3.27Å; N293-L296 PolarHBondContact O-N 3.1Å; N293-K394 PolarHBondContact ND2-NZ 2.93Å; N293-K394 PolarHBondContact OD1-NZ 3.39Å
294	P	91.3	Very high	93.9	Very high	25 Å²	25	15.7 Å²	15.7	16%	0.162	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-21.2	-170.9	-24.4	35.2	0	0	0	114.9	L152 P153 L296 S297	L152-P294 HydrophobicContact CD2-CB 4.37Å; P153-P294 WeakPolarHBondContact CG-O 3.49Å; P294-L296 PolarHBondContact O-N 3.31Å; P294-S297 PolarHBondContact O-OG 3.47Å
295	E	90.5	Very high	94.2	Very high	93 Å²	93	15.6 Å²	15.6	44%	0.435	9%	0.085	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-19.5	170.7	71.3	-78.6	-174.6	0	0	113.2	L152 N293 S297	L152-E295 HydrophobicContact CD2-CB 4.36Å; N293-E295 VanDerWaalsContact CA-OE2 3.26Å; N293-E295 WeakPolarHBondContact CA-OE2 3.34Å; N293-E295 WeakPolarHBondContact CB-OE1 3.39Å; N293-E295 PolarHBondContact O-N 3.45Å; E295-S297 PolarHBondContact O-N 2.76Å
296	L	93.4	Very high	94.3	Very high	25 Å²	25	15.6 Å²	15.6	13%	0.131	9%	0.085	C	C	.	.	S	Bend	trans	-98.1	74.8	173.6	-57.2	173.3	0	0	0	109.7	N290 N293 P294 S391 K394	N290-L296 HydrophobicContact CB-CB 4.02Å; N290-L296 WeakPolarHBondContact CB-O 3.44Å; N290-L296 PolarHBondContact N-O 3.41Å; N293-L296 HydrophobicContact CB-CD1 3.98Å; N293-L296 HydrophobicContact CB-CG 4.39Å; N293-L296 WeakPolarHBondContact O-CB 3.27Å; N293-L296 PolarHBondContact O-N 3.1Å; P294-L296 PolarHBondContact O-N 3.31Å; L296-S391 PolarHBondContact O-OG 3.4Å; L296-K394 HydrophobicContact CD1-CB 4.27Å; L296-K394 HydrophobicContact CD1-CD 2.99Å; L296-K394 HydrophobicContact CD1-CG 4.24Å; L296-K394 HydrophobicContact CG-CD 4.44Å
297	S	92.9	Very high	94.5	Very high	3 Å²	3	14.6 Å²	14.6	2%	0.021	8%	0.079	C	C	.	.	B	Isolated β-bridge	trans	-143.6	147.2	176.1	-55.9	0	0	0	0	110.7	Y288 S289 P294 E295 S299	Y288-S297 CarbonylContact O-C 3.6Å; Y288-S297 VanDerWaalsContact O-CA 3.3Å; Y288-S297 WeakPolarHBondContact O-CA 3.43Å; S289-S297 WeakPolarHBondContact CA-OG 3.22Å; S289-S297 PolarHBondContact OG-OG 2.97Å; P294-S297 PolarHBondContact O-OG 3.47Å; E295-S297 PolarHBondContact O-N 2.76Å; S297-S299 PolarHBondContact O-N 3.04Å
298	I	93.1	Very high	94.7	Very high	3 Å²	3	14.6 Å²	14.6	2%	0.015	8%	0.079	C	C	.	.			trans	-83	107	170.3	-54.7	174.9	0	0	0	107.4	Y288 F302 I388 F392	Y288-I298 PolarHBondContact O-N 3.49Å; I298-F302 HydrophobicContact CB-CD1 3.89Å; I298-F302 HydrophobicContact CB-CE1 3.84Å; I298-F302 HydrophobicContact CD1-CD1 4.37Å; I298-F302 HydrophobicContact CD1-CE1 4.4Å; I298-F302 HydrophobicContact CG2-CD1 3.48Å; I298-F302 VanDerWaalsContact CG2-CD1 3.48Å; I298-F302 HydrophobicContact CG2-CE1 3.98Å; I298-F302 HydrophobicContact CG2-CG 4.22Å; I298-I388 HydrophobicContact CD1-CG1 3.77Å; I298-I388 HydrophobicContact CG1-CG1 3.78Å; I298-I388 HydrophobicContact CG2-CD1 4.44Å; I298-I388 HydrophobicContact CG2-CG1 4.11Å; I298-F392 HydrophobicContact CD1-CE2 3.98Å
299	S	87.3	Confident	94.9	Very high	31 Å²	31	14.6 Å²	14.6	22%	0.217	8%	0.08	C	C	.	.			trans	-73.1	-35.9	180	61.8	0	0	0	0	112.3	R157 S297	R157-S299 VanDerWaalsContact CZ-O 3.29Å; R157-S299 PolarHBondContact NE-O 2.63Å; R157-S299 VanDerWaalsContact NE-O 3.15Å; R157-S299 PolarHBondContact NH2-O 3.26Å; S297-S299 PolarHBondContact O-N 3.04Å
300	C	94.3	Very high	95	Very high	9 Å²	9	14.6 Å²	14.6	6%	0.061	8%	0.08	C	C	.	.	S	Bend	trans	-77.4	162	-174.5	70.1	0	0	0	0	112.7	F302 F373 V384	C300-F302 WeakPolarHBondContact O-CD1 3.34Å; C300-F373 VanDerWaalsContact CB-O 3.31Å; C300-F373 WeakPolarHBondContact CB-O 3.46Å; C300-V384 HydrophobicContact CB-CG2 4.09Å; C300-V384 VanDerWaalsContact SG-CG1 3.52Å
301	P	96.8	Very high	95.2	Very high	9 Å²	9	15.3 Å²	15.3	6%	0.058	8%	0.083	C	C	.	.			trans	-61.1	139.1	170.4	-21.4	32.9	0	0	0	111.3	Q105 F373	Q105-P301 HydrophobicContact CB-CG 3.92Å; Q105-P301 HydrophobicContact CG-CG 3.99Å; P301-F373 HydrophobicContact CB-CB 4.43Å; P301-F373 HydrophobicContact CB-CD2 4.49Å; P301-F373 WeakPolarHBondContact CD-O 3.25Å; P301-F373 PolarHBondContact O-N 3.3Å
302	F	97.9	Very high	95.4	Very high	2 Å²	2	18.5 Å²	18.5	1%	0.009	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	162.7	179.4	67.7	-92.2	0	0	0	112.6	L101 S103 Y159 Y288 I298 C300 L304 I370 T371 A372	L101-F302 HydrophobicContact CD2-CE2 3.83Å; L101-F302 HydrophobicContact CD2-CZ 4.31Å; S103-F302 VanDerWaalsContact CB-CE1 3.48Å; S103-F302 WeakPolarHBondContact CB-O 3.41Å; S103-F302 PolarHBondContact N-O 2.78Å; S103-F302 PolarHBondContact O-N 3.16Å; Y159-F302 HydrophobicContact CE1-CE1 4.42Å; Y159-F302 HydrophobicContact CE1-CZ 4.04Å; Y288-F302 HydrophobicContact CD1-CZ 4.35Å; Y288-F302 AromaticContact CD2-CZ 3.79Å; Y288-F302 HydrophobicContact CD2-CZ 3.79Å; Y288-F302 HydrophobicContact CG-CE2 4.22Å; Y288-F302 AromaticContact CG-CZ 3.65Å; Y288-F302 HydrophobicContact CG-CZ 3.65Å; I298-F302 HydrophobicContact CB-CD1 3.89Å; I298-F302 HydrophobicContact CB-CE1 3.84Å; I298-F302 HydrophobicContact CD1-CD1 4.37Å; I298-F302 HydrophobicContact CD1-CE1 4.4Å; I298-F302 HydrophobicContact CG2-CD1 3.48Å; I298-F302 VanDerWaalsContact CG2-CD1 3.48Å; I298-F302 HydrophobicContact CG2-CE1 3.98Å; I298-F302 HydrophobicContact CG2-CG 4.22Å; C300-F302 WeakPolarHBondContact O-CD1 3.34Å; F302-L304 HydrophobicContact CD2-CB 4.35Å; F302-L304 HydrophobicContact CE2-CB 4.24Å; F302-I370 HydrophobicContact CB-CG2 4.35Å; F302-T371 CarbonylContact C-O 3.29Å; F302-T371 WeakPolarHBondContact CA-O 3.44Å; F302-T371 WeakPolarHBondContact CB-O 3.39Å; F302-A372 HydrophobicContact CB-CB 4.32Å
303	I	98.5	Very high	95.5	Very high	1 Å²	1	18.2 Å²	18.2	1%	0.005	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	114.6	171	-55.8	163.5	0	0	0	108	H100 L101 M102 M213 I370 T371 F373 C413	H100-I303 HydrophobicContact CB-CG2 4.41Å; L101-I303 CarbonylContact O-C 3.48Å; L101-I303 WeakPolarHBondContact O-CA 3.45Å; M102-I303 HydrophobicContact CB-CG1 4.49Å; M102-I303 HydrophobicContact CG-CG1 4.17Å; M213-I303 HydrophobicContact CB-CD1 4.01Å; M213-I303 HydrophobicContact CE-CD1 4.17Å; M213-I303 HydrophobicContact CE-CG2 4.04Å; M213-I303 HydrophobicContact CG-CD1 3.8Å; I303-I370 WeakPolarHBondContact O-CA 3.36Å; I303-T371 PolarHBondContact N-O 3.01Å; I303-T371 PolarHBondContact O-N 3.31Å; I303-F373 HydrophobicContact CD1-CE2 3.9Å; I303-F373 HydrophobicContact CD1-CZ 4.07Å; I303-F373 HydrophobicContact CG1-CE2 4.1Å; I303-C413 HydrophobicContact CG2-CB 4.41Å
304	L	98.3	Very high	95.6	Very high	1 Å²	1	21.5 Å²	21.5	1%	0.005	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	111.7	171.3	176.9	64.5	0	0	0	108.6	L101 M284 Y288 F302 L368 I370 F392 P445	L101-L304 HydrophobicContact CB-CB 4.37Å; L101-L304 HydrophobicContact CD2-CB 4.33Å; L101-L304 PolarHBondContact N-O 3.28Å; L101-L304 PolarHBondContact O-N 2.87Å; M284-L304 HydrophobicContact CE-CD2 4.4Å; Y288-L304 HydrophobicContact CD1-CD2 4.45Å; F302-L304 HydrophobicContact CD2-CB 4.35Å; F302-L304 HydrophobicContact CE2-CB 4.24Å; L304-L368 HydrophobicContact CD1-CD1 3.85Å; L304-L368 HydrophobicContact CD1-CG 4.16Å; L304-L368 HydrophobicContact CG-CD1 4.46Å; L304-I370 HydrophobicContact CD1-CG1 3.61Å; L304-F392 HydrophobicContact CD1-CZ 4.5Å; L304-P445 HydrophobicContact CD2-CB 3.6Å; L304-P445 HydrophobicContact CG-CB 3.86Å; L304-P445 HydrophobicContact CG-CG 4.44Å
305	T	98.6	Very high	95.9	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.006	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	125.4	-176.9	-55.2	0	0	0	0	110.9	I99 L368 N369	I99-T305 CarbonylContact O-C 3.59Å; I99-T305 WeakPolarHBondContact O-CA 3.33Å; T305-L368 WeakPolarHBondContact O-CA 3.46Å; T305-N369 PolarHBondContact N-O 3.22Å; T305-N369 PolarHBondContact O-N 3.41Å
306	L	98.6	Very high	96.1	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	113.6	165.3	177.3	65.4	0	0	0	108.8	C98 I99 L308 Y366 L368 V440 L443 M444 P445	C98-L306 CarbonylContact C-O 3.59Å; C98-L306 WeakPolarHBondContact CA-O 3.46Å; I99-L306 PolarHBondContact N-O 2.95Å; I99-L306 PolarHBondContact O-N 3.46Å; L306-L308 HydrophobicContact CD2-CD2 4.06Å; L306-L308 HydrophobicContact CG-CD2 4.39Å; L306-Y366 HydrophobicContact CD1-CD2 3.64Å; L306-Y366 HydrophobicContact CD1-CG 4.21Å; L306-L368 HydrophobicContact CB-CD1 3.96Å; L306-L368 HydrophobicContact CD1-CB 4.35Å; L306-L368 HydrophobicContact CD1-CD1 4.11Å; L306-V440 HydrophobicContact CD2-CG1 4.19Å; L306-L443 HydrophobicContact CD2-CB 4.46Å; L306-M444 HydrophobicContact CD2-CB 4.4Å; L306-M444 HydrophobicContact CD2-CG 3.99Å; L306-P445 HydrophobicContact CB-CG 4.32Å
307	T	98.5	Very high	96.2	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	122.9	168.9	-56.7	0	0	0	0	108.8	P96 Y366 F367 A418 F423	P96-T307 HydrophobicContact CB-CG2 4.17Å; T307-Y366 CarbonylContact O-C 3.5Å; T307-Y366 WeakPolarHBondContact O-CA 3.31Å; T307-F367 PolarHBondContact N-O 2.77Å; T307-F367 PolarHBondContact O-N 2.77Å; T307-A418 HydrophobicContact CG2-CB 3.65Å; T307-F423 HydrophobicContact CG2-CD2 3.49Å; T307-F423 VanDerWaalsContact CG2-CD2 3.49Å; T307-F423 HydrophobicContact CG2-CE2 3.82Å; T307-F423 HydrophobicContact CG2-CG 4.47Å
308	L	98.3	Very high	96.4	Very high	1 Å²	1	27 Å²	27	1%	0.005	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	149	-177.8	67.8	86.4	0	0	0	112.2	L87 L91 P96 L97 I99 L306 V310 V364 S365 V440 M444	L87-L308 HydrophobicContact CD2-CD1 3.75Å; L87-L308 HydrophobicContact CD2-CD2 4.1Å; L91-L308 HydrophobicContact CD1-CD1 4.06Å; P96-L308 WeakPolarHBondContact CA-O 3.32Å; L97-L308 HydrophobicContact CB-CD1 4.07Å; L97-L308 HydrophobicContact CB-CG 4.3Å; L97-L308 HydrophobicContact CD2-CD1 4.46Å; L97-L308 PolarHBondContact N-O 3.04Å; L97-L308 PolarHBondContact O-N 3.47Å; I99-L308 HydrophobicContact CD1-CD2 4.41Å; L306-L308 HydrophobicContact CD2-CD2 4.06Å; L306-L308 HydrophobicContact CG-CD2 4.39Å; L308-V310 HydrophobicContact CD1-CG2 4.4Å; L308-V364 HydrophobicContact CB-CG1 3.87Å; L308-V364 HydrophobicContact CD1-CG1 4.36Å; L308-S365 CarbonylContact C-O 3.53Å; L308-S365 WeakPolarHBondContact CA-O 3.44Å; L308-V440 HydrophobicContact CB-CG1 4.31Å; L308-V440 HydrophobicContact CD2-CG1 4.02Å; L308-M444 HydrophobicContact CD2-CE 4.11Å
309	V	98.3	Very high	96.5	Very high	3 Å²	3	29.1 Å²	29.1	2%	0.018	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	119.3	173.1	170.9	0	0	0	0	108.3	G94 P96 E311 V364 S365 F423	G94-V309 VanDerWaalsContact CA-CG1 3.48Å; P96-V309 HydrophobicContact CB-CG2 3.89Å; P96-V309 HydrophobicContact CG-CG2 3.66Å; V309-E311 PolarHBondContact O-N 2.8Å; V309-V364 WeakPolarHBondContact O-CA 3.42Å; V309-S365 PolarHBondContact N-O 3.47Å; V309-S365 PolarHBondContact O-N 2.95Å; V309-F423 HydrophobicContact CB-CD1 4.3Å; V309-F423 HydrophobicContact CB-CE1 3.53Å; V309-F423 HydrophobicContact CB-CZ 3.86Å; V309-F423 HydrophobicContact CG1-CE1 4.36Å; V309-F423 HydrophobicContact CG2-CD1 3.47Å; V309-F423 VanDerWaalsContact CG2-CD1 3.47Å; V309-F423 HydrophobicContact CG2-CD2 4.5Å; V309-F423 HydrophobicContact CG2-CE1 3.16Å; V309-F423 HydrophobicContact CG2-CE2 4.28Å; V309-F423 HydrophobicContact CG2-CG 4.13Å; V309-F423 HydrophobicContact CG2-CZ 3.62Å
310	V	98.2	Very high	96.9	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.006	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	124.2	171	-165.5	0	0	0	0	108.7	L87 L91 R93 G94 L308 V364	L87-V310 HydrophobicContact CB-CG2 4.36Å; L87-V310 HydrophobicContact CD2-CG2 4.48Å; L91-V310 HydrophobicContact CB-CG2 4.29Å; L91-V310 HydrophobicContact CD1-CG2 4.26Å; R93-V310 WeakPolarHBondContact CA-O 3.37Å; G94-V310 PolarHBondContact N-O 3.27Å; L308-V310 HydrophobicContact CD1-CG2 4.4Å; V310-V364 HydrophobicContact CG1-CG2 4.25Å; V310-V364 HydrophobicContact CG2-CG2 4.19Å
311	E	97.7	Very high	97	Very high	23 Å²	23	29.2 Å²	29.2	11%	0.107	15%	0.152	C	C	.	.	P	Polyproline II helix	trans	-79.7	162.8	-175.8	-66.7	-176.8	-148.4	0	0	111.9	R93 V309 Q313 T316 V363 S365 R434	R93-E311 WeakPolarHBondContact CD-O 3.41Å; V309-E311 PolarHBondContact O-N 2.8Å; E311-Q313 PolarHBondContact O-N 3.43Å; E311-T316 HydrophobicContact CB-CG2 3.59Å; E311-T316 WeakPolarHBondContact OE2-CG2 3.49Å; E311-V363 WeakPolarHBondContact CB-O 3.41Å; E311-V363 PolarHBondContact N-O 2.87Å; E311-S365 PolarHBondContact OE1-OG 2.86Å; E311-R434 IonicContact OE1-CZ 3.43Å; E311-R434 IonicContact OE1-NE 3.5Å; E311-R434 PolarHBondContact OE1-NE 3.04Å; E311-R434 IonicContact OE1-NH2 3.35Å; E311-R434 IonicContact OE2-CZ 2.85Å; E311-R434 IonicContact OE2-NE 2.83Å; E311-R434 PolarHBondContact OE2-NE 3.48Å; E311-R434 IonicContact OE2-NH2 3.33Å; E311-R434 PolarHBondContact OE2-NH2 3.33Å
312	D	96.9	Very high	96.9	Very high	79 Å²	79	34.8 Å²	34.8	42%	0.422	18%	0.181	S	C	.	.	P	Polyproline II helix	trans	-62.3	129.2	175.9	-179.2	-92.7	0	0	0	111.3	V314 K315 T316	D312-V314 PolarHBondContact OD1-N 2.9Å; D312-K315 HydrophobicContact CB-CB 3.98Å; D312-K315 WeakPolarHBondContact OD1-CB 3.48Å; D312-K315 PolarHBondContact OD1-N 3.37Å; D312-T316 WeakPolarHBondContact O-CB 3.31Å; D312-T316 WeakPolarHBondContact O-CG2 3.4Å; D312-T316 PolarHBondContact O-N 3.34Å; D312-T316 PolarHBondContact O-OG1 3.01Å
313	Q	94.1	Very high	96.8	Very high	39 Å²	39	38.3 Å²	38.3	18%	0.182	20%	0.196	C	C	.	.	H	α-helix	trans	-68.2	-40.4	-172.8	-167.1	72.3	25.8	0	0	111.9	E311 T316 H317 L356 S361 S362	E311-Q313 PolarHBondContact O-N 3.43Å; Q313-T316 WeakPolarHBondContact CA-OG1 3.22Å; Q313-T316 PolarHBondContact O-OG1 3.47Å; Q313-T316 VanDerWaalsContact O-OG1 3.09Å; Q313-H317 VanDerWaalsContact O-CB 3.22Å; Q313-H317 WeakPolarHBondContact O-CB 3.28Å; Q313-H317 PolarHBondContact O-N 3.11Å; Q313-L356 PolarHBondContact NE2-O 3.25Å; Q313-S361 PolarHBondContact NE2-O 3.31Å; Q313-S362 PolarHBondContact OE1-OG 2.79Å
314	V	95.2	Very high	96.6	Very high	102 Å²	102	39.9 Å²	39.9	62%	0.618	20%	0.202	S	C	*	.	H	α-helix	trans	-70.2	-43.7	-177.2	177.9	0	0	0	0	109.9	D312 S318	D312-V314 PolarHBondContact OD1-N 2.9Å; V314-S318 WeakPolarHBondContact O-CB 3.36Å; V314-S318 PolarHBondContact O-N 3.48Å; V314-S318 PolarHBondContact O-OG 2.72Å
315	K	96	Very high	96.4	Very high	147 Å²	147	45.5 Å²	45.5	64%	0.639	23%	0.23	S	C	*	.	H	α-helix	trans	-60.9	-48	176.9	-173.8	179.9	178.4	-179.4	0	111.7	D312 S318 E319	D312-K315 HydrophobicContact CB-CB 3.98Å; D312-K315 WeakPolarHBondContact OD1-CB 3.48Å; D312-K315 PolarHBondContact OD1-N 3.37Å; K315-S318 PolarHBondContact O-N 2.73Å; K315-E319 PolarHBondContact O-N 3.47Å
316	T	95.9	Very high	96.2	Very high	3 Å²	3	49 Å²	49	2%	0.018	25%	0.249	C	C	.	.	H	α-helix	trans	-69.7	-38.3	-178	51.5	0	0	0	0	112.3	E311 D312 Q313 E319 A320 V363	E311-T316 HydrophobicContact CB-CG2 3.59Å; E311-T316 WeakPolarHBondContact OE2-CG2 3.49Å; D312-T316 WeakPolarHBondContact O-CB 3.31Å; D312-T316 WeakPolarHBondContact O-CG2 3.4Å; D312-T316 PolarHBondContact O-N 3.34Å; D312-T316 PolarHBondContact O-OG1 3.01Å; Q313-T316 WeakPolarHBondContact CA-OG1 3.22Å; Q313-T316 PolarHBondContact O-OG1 3.47Å; Q313-T316 VanDerWaalsContact O-OG1 3.09Å; T316-E319 PolarHBondContact O-N 2.81Å; T316-A320 WeakPolarHBondContact O-CB 3.44Å; T316-A320 PolarHBondContact O-N 2.63Å; T316-V363 HydrophobicContact CG2-CB 3.75Å; T316-V363 HydrophobicContact CG2-CG1 4.41Å; T316-V363 HydrophobicContact CG2-CG2 3.95Å
317	H	95.5	Very high	96	Very high	57 Å²	57	49.8 Å²	49.8	26%	0.264	25%	0.252	S	S	.	.	H	α-helix	trans	-61.9	-42.9	172	177.1	-113.6	0	0	0	112	Q313 A320 N321 R353 L356 G357	Q313-H317 VanDerWaalsContact O-CB 3.22Å; Q313-H317 WeakPolarHBondContact O-CB 3.28Å; Q313-H317 PolarHBondContact O-N 3.11Å; H317-A320 PolarHBondContact O-N 3.28Å; H317-N321 PolarHBondContact CE1-ND2 3.36Å; H317-N321 PolarHBondContact ND1-ND2 3.06Å; H317-N321 PolarHBondContact NE2-ND2 2.87Å; H317-N321 PolarHBondContact O-N 3.46Å; H317-N321 PolarHBondContact O-ND2 3.03Å; H317-R353 PolarHBondContact CD2-O 3.36Å; H317-R353 VanDerWaalsContact CD2-O 3.3Å; H317-L356 HydrophobicContact CB-CB 4.22Å; H317-G357 PolarHBondContact CD2-N 3.13Å
318	S	96.7	Very high	95.8	Very high	54 Å²	54	52.4 Å²	52.4	38%	0.378	27%	0.265	S	S	.	.	H	α-helix	trans	-64.4	-42.6	177	-57.1	0	0	0	0	111.9	V314 K315 N321 L322	V314-S318 WeakPolarHBondContact O-CB 3.36Å; V314-S318 PolarHBondContact O-N 3.48Å; V314-S318 PolarHBondContact O-OG 2.72Å; K315-S318 PolarHBondContact O-N 2.73Å; S318-N321 PolarHBondContact O-N 2.92Å; S318-L322 WeakPolarHBondContact O-CG 3.24Å; S318-L322 PolarHBondContact O-N 3.25Å; S318-L322 VanDerWaalsContact O-N 3.09Å
319	E	95.7	Very high	95.6	Very high	49 Å²	49	59.8 Å²	59.8	23%	0.229	30%	0.297	C	S	.	.	H	α-helix	trans	-58.5	-47.4	172.9	-176.1	-167.9	156.3	0	0	111.6	K315 T316 N321 L322 K323 R434	K315-E319 PolarHBondContact O-N 3.47Å; T316-E319 PolarHBondContact O-N 2.81Å; E319-N321 VanDerWaalsContact C-N 3.34Å; E319-N321 PolarHBondContact O-N 3.5Å; E319-L322 PolarHBondContact O-N 3.32Å; E319-K323 HydrophobicContact CG-CD 4.34Å; E319-K323 PolarHBondContact O-N 2.81Å; E319-K323 WeakPolarHBondContact OE1-CE 3.49Å; E319-K323 IonicContact OE1-NZ 3.48Å; E319-K323 PolarHBondContact OE1-NZ 2.9Å; E319-R434 IonicContact OE1-CZ 2.73Å; E319-R434 IonicContact OE1-NH1 2.67Å; E319-R434 PolarHBondContact OE1-NH1 3.03Å; E319-R434 IonicContact OE1-NH2 3.94Å; E319-R434 IonicContact OE2-CZ 3.62Å; E319-R434 IonicContact OE2-NH1 2.84Å; E319-R434 PolarHBondContact OE2-NH1 3.18Å; E319-R434 VanDerWaalsContact OE2-NH1 3.16Å; E319-R434 IonicContact OE2-NH2 3.19Å; E319-R434 PolarHBondContact OE2-NH2 3.37Å
320	A	94.8	Very high	95.4	Very high	0 Å²	0	63 Å²	63	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-62.8	-40.3	179.7	0	0	0	0	0	112.1	T316 H317 K323 Y324 W349 R353 L356	T316-A320 WeakPolarHBondContact O-CB 3.44Å; T316-A320 PolarHBondContact O-N 2.63Å; H317-A320 PolarHBondContact O-N 3.28Å; A320-K323 PolarHBondContact O-N 3.07Å; A320-Y324 VanDerWaalsContact O-CB 3.27Å; A320-Y324 WeakPolarHBondContact O-CB 3.1Å; A320-Y324 PolarHBondContact O-N 3.18Å; A320-W349 HydrophobicContact CB-CE3 3.82Å; A320-W349 HydrophobicContact CB-CZ3 3.9Å; A320-R353 HydrophobicContact CB-CB 3.95Å; A320-L356 HydrophobicContact CB-CD1 3.92Å
321	N	95.6	Very high	95	Very high	41 Å²	41	64 Å²	64	22%	0.219	32%	0.318	C	S	.	.	H	α-helix	trans	-60.8	-46.4	174.8	-79.7	-38.9	0	0	0	112.2	H317 S318 E319 Y324 M325 R353	H317-N321 PolarHBondContact CE1-ND2 3.36Å; H317-N321 PolarHBondContact ND1-ND2 3.06Å; H317-N321 PolarHBondContact NE2-ND2 2.87Å; H317-N321 PolarHBondContact O-N 3.46Å; H317-N321 PolarHBondContact O-ND2 3.03Å; S318-N321 PolarHBondContact O-N 2.92Å; E319-N321 VanDerWaalsContact C-N 3.34Å; E319-N321 PolarHBondContact O-N 3.5Å; N321-Y324 PolarHBondContact O-N 3.17Å; N321-M325 VanDerWaalsContact O-CG 3.3Å; N321-M325 WeakPolarHBondContact O-CG 3.44Å; N321-M325 PolarHBondContact O-N 2.99Å; N321-R353 WeakPolarHBondContact OD1-CD 3.24Å
322	L	96	Very high	94.7	Very high	126 Å²	126	70.1 Å²	70.1	66%	0.66	34%	0.344	S	S	*	.	H	α-helix	trans	-63	-45.3	179.6	-70.4	171.3	0	0	0	111.9	S318 E319 M325 D326	S318-L322 WeakPolarHBondContact O-CG 3.24Å; S318-L322 PolarHBondContact O-N 3.25Å; S318-L322 VanDerWaalsContact O-N 3.09Å; E319-L322 PolarHBondContact O-N 3.32Å; L322-M325 PolarHBondContact O-N 3.42Å; L322-D326 PolarHBondContact O-N 2.9Å
323	K	94.8	Very high	94.4	Very high	77 Å²	77	69.6 Å²	69.6	34%	0.335	34%	0.344	S	S	.	.	H	α-helix	trans	-63.4	-44.6	177.1	-75.1	179.2	171.1	172.4	0	112.1	E319 A320 D326 L327 W349	E319-K323 HydrophobicContact CG-CD 4.34Å; E319-K323 PolarHBondContact O-N 2.81Å; E319-K323 WeakPolarHBondContact OE1-CE 3.49Å; E319-K323 IonicContact OE1-NZ 3.48Å; E319-K323 PolarHBondContact OE1-NZ 2.9Å; A320-K323 PolarHBondContact O-N 3.07Å; K323-D326 PolarHBondContact O-N 3.23Å; K323-L327 WeakPolarHBondContact O-CB 3.33Å; K323-L327 WeakPolarHBondContact O-CG 3.42Å; K323-L327 PolarHBondContact O-N 2.86Å; K323-W349 HydrophobicContact CB-CD2 3.9Å; K323-W349 HydrophobicContact CB-CE3 4.05Å; K323-W349 HydrophobicContact CB-CG 4.25Å; K323-W349 HydrophobicContact CD-CD2 4Å; K323-W349 HydrophobicContact CD-CE3 3.99Å; K323-W349 HydrophobicContact CD-CH2 3.38Å; K323-W349 HydrophobicContact CD-CZ2 3.37Å; K323-W349 HydrophobicContact CD-CZ3 3.68Å
324	Y	94.6	Very high	94.1	Very high	34 Å²	34	71.8 Å²	71.8	13%	0.133	36%	0.364	C	S	.	.	H	α-helix	trans	-59	-49.3	176.5	173	-101.6	0	0	0	111.8	A320 N321 D326 L327 E328 A346 G350	A320-Y324 VanDerWaalsContact O-CB 3.27Å; A320-Y324 WeakPolarHBondContact O-CB 3.1Å; A320-Y324 PolarHBondContact O-N 3.18Å; N321-Y324 PolarHBondContact O-N 3.17Å; Y324-D326 VanDerWaalsContact C-N 3.31Å; Y324-D326 PolarHBondContact O-N 3.03Å; Y324-L327 PolarHBondContact O-N 3.12Å; Y324-E328 HydrophobicContact CE1-CB 4.22Å; Y324-E328 HydrophobicContact CE1-CG 4.42Å; Y324-E328 WeakPolarHBondContact CE1-OE2 3.27Å; Y324-E328 HydrophobicContact CE2-CB 4.33Å; Y324-E328 WeakPolarHBondContact O-CB 3.34Å; Y324-E328 PolarHBondContact O-N 3.46Å; Y324-A346 WeakPolarHBondContact CD2-O 3.47Å; Y324-A346 VanDerWaalsContact CE2-O 3.25Å; Y324-A346 WeakPolarHBondContact CE2-O 3.46Å; Y324-G350 VanDerWaalsContact CD2-N 3.32Å; Y324-G350 VanDerWaalsContact CE2-CA 3.48Å
325	M	94.6	Very high	93.6	Very high	118 Å²	118	71.5 Å²	71.5	58%	0.581	35%	0.352	S	S	*	.	H	α-helix	trans	-60.4	-39.9	-178.1	-73.8	177.6	66.8	0	0	112.6	N321 L322 K329	N321-M325 VanDerWaalsContact O-CG 3.3Å; N321-M325 WeakPolarHBondContact O-CG 3.44Å; N321-M325 PolarHBondContact O-N 2.99Å; L322-M325 PolarHBondContact O-N 3.42Å; M325-K329 WeakPolarHBondContact O-CB 3.44Å; M325-K329 PolarHBondContact O-N 2.89Å; M325-K329 VanDerWaalsContact O-N 3.1Å
326	D	94.6	Very high	93.1	Very high	76 Å²	76	64.8 Å²	64.8	41%	0.406	32%	0.324	S	S	.	.	H	α-helix	trans	-66	-48.4	175.9	179.2	57.6	0	0	0	111.9	L322 K323 Y324 K329 K330	L322-D326 PolarHBondContact O-N 2.9Å; K323-D326 PolarHBondContact O-N 3.23Å; Y324-D326 VanDerWaalsContact C-N 3.31Å; Y324-D326 PolarHBondContact O-N 3.03Å; D326-K329 PolarHBondContact O-N 2.94Å; D326-K330 WeakPolarHBondContact O-CG 3.08Å; D326-K330 PolarHBondContact O-N 3.38Å; D326-K330 WeakPolarHBondContact OD1-CE 3.38Å; D326-K330 IonicContact OD1-NZ 2.9Å; D326-K330 VanDerWaalsContact OD2-CE 3.3Å; D326-K330 WeakPolarHBondContact OD2-CE 3.28Å; D326-K330 IonicContact OD2-NZ 2.82Å; D326-K330 PolarHBondContact OD2-NZ 3.14Å
327	L	94.2	Very high	92.6	Very high	15 Å²	15	73.3 Å²	73.3	8%	0.079	36%	0.361	C	S	.	.	H	α-helix	trans	-66.5	-40.2	179.1	-72.4	167.9	0	0	0	112.4	K323 Y324 K329 K330 S331 V342 E345 A346 W349	K323-L327 WeakPolarHBondContact O-CB 3.33Å; K323-L327 WeakPolarHBondContact O-CG 3.42Å; K323-L327 PolarHBondContact O-N 2.86Å; Y324-L327 PolarHBondContact O-N 3.12Å; L327-K329 VanDerWaalsContact C-N 3.34Å; L327-K329 PolarHBondContact O-N 2.96Å; L327-K330 PolarHBondContact O-N 2.92Å; L327-S331 WeakPolarHBondContact O-CB 3.39Å; L327-S331 PolarHBondContact O-N 2.97Å; L327-V342 HydrophobicContact CD2-CG1 4.08Å; L327-E345 HydrophobicContact CD1-CB 3.91Å; L327-E345 HydrophobicContact CD2-CB 4.17Å; L327-A346 HydrophobicContact CB-CB 3.82Å; L327-W349 HydrophobicContact CD1-CB 4.45Å; L327-W349 HydrophobicContact CD1-CG 4.05Å
328	E	94.8	Very high	92.2	Very high	56 Å²	56	80.4 Å²	80.4	26%	0.262	39%	0.386	S	S	.	.	H	α-helix	trans	-60.8	-45.3	175.6	-172.4	-170.5	-177.8	0	0	110.1	Y324 K330 S331 K332	Y324-E328 HydrophobicContact CE1-CB 4.22Å; Y324-E328 HydrophobicContact CE1-CG 4.42Å; Y324-E328 WeakPolarHBondContact CE1-OE2 3.27Å; Y324-E328 HydrophobicContact CE2-CB 4.33Å; Y324-E328 WeakPolarHBondContact O-CB 3.34Å; Y324-E328 PolarHBondContact O-N 3.46Å; E328-K330 PolarHBondContact O-N 3.45Å; E328-S331 PolarHBondContact O-N 2.89Å; E328-S331 PolarHBondContact O-OG 3.4Å; E328-K332 PolarHBondContact O-N 3.46Å; E328-K332 IonicContact OE1-NZ 2.67Å; E328-K332 PolarHBondContact OE1-NZ 3.42Å
329	K	93.7	Very high	91.9	Very high	155 Å²	155	82.7 Å²	82.7	67%	0.674	39%	0.389	S	S	*	.	H	α-helix	trans	-59	-47.9	174.6	-176.7	-179	178.1	-177.7	0	111.1	M325 D326 L327 S331 K332 T333	M325-K329 WeakPolarHBondContact O-CB 3.44Å; M325-K329 PolarHBondContact O-N 2.89Å; M325-K329 VanDerWaalsContact O-N 3.1Å; D326-K329 PolarHBondContact O-N 2.94Å; L327-K329 VanDerWaalsContact C-N 3.34Å; L327-K329 PolarHBondContact O-N 2.96Å; K329-S331 PolarHBondContact O-N 3.22Å; K329-K332 PolarHBondContact O-N 3.07Å; K329-T333 WeakPolarHBondContact O-CG2 3.44Å
330	K	93.1	Very high	91.5	Very high	71 Å²	71	84.4 Å²	84.4	31%	0.309	40%	0.404	S	S	.	.	H	α-helix	trans	-62.9	-40.3	178.9	-72.5	169.3	177.7	168.3	0	112.4	D326 L327 E328 K332 T333 Y335 V342	D326-K330 WeakPolarHBondContact O-CG 3.08Å; D326-K330 PolarHBondContact O-N 3.38Å; D326-K330 WeakPolarHBondContact OD1-CE 3.38Å; D326-K330 IonicContact OD1-NZ 2.9Å; D326-K330 VanDerWaalsContact OD2-CE 3.3Å; D326-K330 WeakPolarHBondContact OD2-CE 3.28Å; D326-K330 IonicContact OD2-NZ 2.82Å; D326-K330 PolarHBondContact OD2-NZ 3.14Å; L327-K330 PolarHBondContact O-N 2.92Å; E328-K330 PolarHBondContact O-N 3.45Å; K330-K332 PolarHBondContact O-N 2.97Å; K330-T333 PolarHBondContact O-N 2.9Å; K330-T333 VanDerWaalsContact O-N 3.09Å; K330-T333 PolarHBondContact O-OG1 3.43Å; K330-Y335 HydrophobicContact CB-CD1 3.99Å; K330-Y335 HydrophobicContact CD-CE1 4.35Å; K330-Y335 HydrophobicContact CG-CD1 4.39Å; K330-V342 HydrophobicContact CB-CG1 3.76Å
331	S	90.7	Very high	91.3	Very high	23 Å²	23	87.3 Å²	87.3	16%	0.161	43%	0.425	C	S	.	.	H	α-helix	trans	-60.2	-30.3	180	75.9	0	0	0	0	113	L327 E328 K329 T333 A336	L327-S331 WeakPolarHBondContact O-CB 3.39Å; L327-S331 PolarHBondContact O-N 2.97Å; E328-S331 PolarHBondContact O-N 2.89Å; E328-S331 PolarHBondContact O-OG 3.4Å; K329-S331 PolarHBondContact O-N 3.22Å; S331-T333 VanDerWaalsContact C-N 3.33Å; S331-A336 VanDerWaalsContact O-CB 3.25Å; S331-A336 WeakPolarHBondContact O-CB 3.33Å
332	K	90.9	Very high	91.1	Very high	151 Å²	151	85.7 Å²	85.7	66%	0.657	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	6.8	179.8	-63.4	176.2	-171.5	171	0	113.8	E328 K329 K330	E328-K332 PolarHBondContact O-N 3.46Å; E328-K332 IonicContact OE1-NZ 2.67Å; E328-K332 PolarHBondContact OE1-NZ 3.42Å; K329-K332 PolarHBondContact O-N 3.07Å; K330-K332 PolarHBondContact O-N 2.97Å
333	T	91.9	Very high	90.8	Very high	67 Å²	67	85 Å²	85	41%	0.411	41%	0.41	S	S	.	.	S	Bend	trans	-111.4	172.9	-179.1	66.2	0	0	0	0	111.8	K329 K330 S331 Y335 A336	K329-T333 WeakPolarHBondContact O-CG2 3.44Å; K330-T333 PolarHBondContact O-N 2.9Å; K330-T333 VanDerWaalsContact O-N 3.09Å; K330-T333 PolarHBondContact O-OG1 3.43Å; S331-T333 VanDerWaalsContact C-N 3.33Å; T333-Y335 PolarHBondContact O-N 2.98Å; T333-Y335 WeakPolarHBondContact OG1-CB 3.34Å; T333-Y335 PolarHBondContact OG1-N 3.44Å; T333-A336 PolarHBondContact O-N 3.31Å
334	S	86.4	Confident	90.7	Very high	86 Å²	86	88.5 Å²	88.5	60%	0.601	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-19.4	170.6	54	0	0	0	0	113.4	A336 K337	S334-A336 VanDerWaalsContact C-N 3.28Å; S334-A336 PolarHBondContact O-N 2.86Å; S334-K337 WeakPolarHBondContact O-CB 3.2Å; S334-K337 PolarHBondContact O-N 3.31Å; S334-K337 VanDerWaalsContact O-N 3.15Å
335	Y	85	Confident	90.6	Very high	95 Å²	95	90.5 Å²	90.5	37%	0.373	44%	0.435	S	S	.	.	H	α-helix	trans	-55.3	-40.9	174.9	-169	-101.1	0	0	0	112.7	K330 T333 K337 W338 F339 V342	K330-Y335 HydrophobicContact CB-CD1 3.99Å; K330-Y335 HydrophobicContact CD-CE1 4.35Å; K330-Y335 HydrophobicContact CG-CD1 4.39Å; T333-Y335 PolarHBondContact O-N 2.98Å; T333-Y335 WeakPolarHBondContact OG1-CB 3.34Å; T333-Y335 PolarHBondContact OG1-N 3.44Å; Y335-K337 PolarHBondContact O-N 3.27Å; Y335-W338 PolarHBondContact O-N 2.88Å; Y335-F339 HydrophobicContact CD1-CB 4.41Å; Y335-F339 HydrophobicContact CD1-CD2 4.18Å; Y335-F339 AromaticContact CD2-CD2 3.91Å; Y335-F339 HydrophobicContact CD2-CD2 3.91Å; Y335-F339 HydrophobicContact CD2-CE2 4.21Å; Y335-F339 HydrophobicContact CE1-CB 4.07Å; Y335-F339 AromaticContact CE1-CD2 3.82Å; Y335-F339 HydrophobicContact CE1-CD2 3.82Å; Y335-F339 HydrophobicContact CE1-CG 4.18Å; Y335-F339 AromaticContact CE2-CD2 3.48Å; Y335-F339 HydrophobicContact CE2-CD2 3.48Å; Y335-F339 VanDerWaalsContact CE2-CD2 3.48Å; Y335-F339 AromaticContact CE2-CE2 3.6Å; Y335-F339 HydrophobicContact CE2-CE2 3.6Å; Y335-F339 HydrophobicContact CG-CD2 4.22Å; Y335-F339 AromaticContact CZ-CD2 3.42Å; Y335-F339 VanDerWaalsContact CZ-CD2 3.42Å; Y335-F339 AromaticContact CZ-CE2 3.86Å; Y335-F339 PolarHBondContact O-N 2.89Å; Y335-V342 HydrophobicContact CD1-CG1 4.48Å; Y335-V342 HydrophobicContact CD1-CG2 3.89Å; Y335-V342 HydrophobicContact CE1-CG2 3.51Å
336	A	85.9	Confident	90.5	Very high	7 Å²	7	85.1 Å²	85.1	6%	0.058	41%	0.409	C	S	.	.	H	α-helix	trans	-62.1	-29.6	179.7	0	0	0	0	0	113.1	S331 T333 S334 W338 F339 P340 E343	S331-A336 VanDerWaalsContact O-CB 3.25Å; S331-A336 WeakPolarHBondContact O-CB 3.33Å; T333-A336 PolarHBondContact O-N 3.31Å; S334-A336 VanDerWaalsContact C-N 3.28Å; S334-A336 PolarHBondContact O-N 2.86Å; A336-W338 VanDerWaalsContact C-N 3.28Å; A336-W338 PolarHBondContact O-N 3.49Å; A336-F339 CarbonylContact O-C 3.28Å; A336-F339 VanDerWaalsContact O-C 3.28Å; A336-F339 PolarHBondContact O-N 3.44Å; A336-P340 WeakPolarHBondContact O-CA 3.14Å; A336-E343 HydrophobicContact CB-CG 4.25Å
337	K	85.6	Confident	90.5	Very high	182 Å²	182	87.9 Å²	87.9	79%	0.791	42%	0.418	S	S	*	.	H	α-helix	trans	-64.8	-33.2	174.9	-62.2	-175.2	177.2	-177.5	0	112.3	S334 Y335	S334-K337 WeakPolarHBondContact O-CB 3.2Å; S334-K337 PolarHBondContact O-N 3.31Å; S334-K337 VanDerWaalsContact O-N 3.15Å; Y335-K337 PolarHBondContact O-N 3.27Å
338	W	85.8	Confident	90.4	Very high	206 Å²	206	93.2 Å²	93.2	78%	0.78	44%	0.442	S	S	*	.	H	α-helix	trans	-87.3	-32.1	177.8	-63.9	99.2	0	0	0	112.2	Y335 A336	Y335-W338 PolarHBondContact O-N 2.88Å; A336-W338 VanDerWaalsContact C-N 3.28Å; A336-W338 PolarHBondContact O-N 3.49Å
339	F	92	Very high	90.4	Very high	101 Å²	101	93.3 Å²	93.3	44%	0.443	44%	0.441	S	S	.	.			trans	-128.6	79.5	-178.6	-58.2	-80.6	0	0	0	111.5	Y335 A336 S341 V342	Y335-F339 HydrophobicContact CD1-CB 4.41Å; Y335-F339 HydrophobicContact CD1-CD2 4.18Å; Y335-F339 AromaticContact CD2-CD2 3.91Å; Y335-F339 HydrophobicContact CD2-CD2 3.91Å; Y335-F339 HydrophobicContact CD2-CE2 4.21Å; Y335-F339 HydrophobicContact CE1-CB 4.07Å; Y335-F339 AromaticContact CE1-CD2 3.82Å; Y335-F339 HydrophobicContact CE1-CD2 3.82Å; Y335-F339 HydrophobicContact CE1-CG 4.18Å; Y335-F339 AromaticContact CE2-CD2 3.48Å; Y335-F339 HydrophobicContact CE2-CD2 3.48Å; Y335-F339 VanDerWaalsContact CE2-CD2 3.48Å; Y335-F339 AromaticContact CE2-CE2 3.6Å; Y335-F339 HydrophobicContact CE2-CE2 3.6Å; Y335-F339 HydrophobicContact CG-CD2 4.22Å; Y335-F339 AromaticContact CZ-CD2 3.42Å; Y335-F339 VanDerWaalsContact CZ-CD2 3.42Å; Y335-F339 AromaticContact CZ-CE2 3.86Å; Y335-F339 PolarHBondContact O-N 2.89Å; A336-F339 CarbonylContact O-C 3.28Å; A336-F339 VanDerWaalsContact O-C 3.28Å; A336-F339 PolarHBondContact O-N 3.44Å; F339-S341 PolarHBondContact O-N 3.42Å; F339-S341 VanDerWaalsContact O-N 3.12Å; F339-V342 HydrophobicContact CB-CG2 3.79Å; F339-V342 WeakPolarHBondContact O-CB 3.34Å; F339-V342 VanDerWaalsContact O-CG2 3.27Å; F339-V342 WeakPolarHBondContact O-CG2 3.38Å; F339-V342 PolarHBondContact O-N 3.25Å
340	P	86.6	Confident	90.4	Very high	86 Å²	86	86.5 Å²	86.5	56%	0.558	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-19.3	-177.7	-24.5	34.8	0	0	0	114.7	A336 V342 E343	A336-P340 WeakPolarHBondContact O-CA 3.14Å; P340-V342 PolarHBondContact O-N 3.49Å; P340-E343 PolarHBondContact O-N 3.31Å
341	S	90.9	Very high	90.5	Very high	61 Å²	61	87.4 Å²	87.4	43%	0.427	42%	0.42	S	S	.	.	H	α-helix	trans	-62.8	-27.3	177.1	64.3	0	0	0	0	112.8	F339 E343 K344 E345	F339-S341 PolarHBondContact O-N 3.42Å; F339-S341 VanDerWaalsContact O-N 3.12Å; S341-E343 VanDerWaalsContact C-N 3.26Å; S341-E343 PolarHBondContact O-N 3.33Å; S341-K344 WeakPolarHBondContact O-CA 3.39Å; S341-K344 WeakPolarHBondContact O-CB 3.26Å; S341-K344 PolarHBondContact O-N 3.34Å; S341-E345 WeakPolarHBondContact O-CG 3.19Å; S341-E345 PolarHBondContact O-N 2.86Å; S341-E345 PolarHBondContact OG-OE1 2.86Å
342	V	91.4	Very high	90.6	Very high	7 Å²	7	87.5 Å²	87.5	4%	0.042	42%	0.418	C	S	.	.	H	α-helix	trans	-60.7	-35.4	-177.6	176.3	0	0	0	0	111.9	L327 K330 Y335 F339 P340 K344 E345 A346	L327-V342 HydrophobicContact CD2-CG1 4.08Å; K330-V342 HydrophobicContact CB-CG1 3.76Å; Y335-V342 HydrophobicContact CD1-CG1 4.48Å; Y335-V342 HydrophobicContact CD1-CG2 3.89Å; Y335-V342 HydrophobicContact CE1-CG2 3.51Å; F339-V342 HydrophobicContact CB-CG2 3.79Å; F339-V342 WeakPolarHBondContact O-CB 3.34Å; F339-V342 VanDerWaalsContact O-CG2 3.27Å; F339-V342 WeakPolarHBondContact O-CG2 3.38Å; F339-V342 PolarHBondContact O-N 3.25Å; P340-V342 PolarHBondContact O-N 3.49Å; V342-K344 VanDerWaalsContact C-N 3.34Å; V342-E345 PolarHBondContact O-N 2.98Å; V342-A346 VanDerWaalsContact O-CB 3.26Å; V342-A346 WeakPolarHBondContact O-CB 3.37Å; V342-A346 PolarHBondContact O-N 2.88Å
343	E	90.5	Very high	90.8	Very high	112 Å²	112	84 Å²	84	52%	0.523	40%	0.401	S	S	.	.	H	α-helix	trans	-65.3	-39.8	175.7	-67.9	-178.6	176.9	0	0	111.4	A336 P340 S341 K347	A336-E343 HydrophobicContact CB-CG 4.25Å; P340-E343 PolarHBondContact O-N 3.31Å; S341-E343 VanDerWaalsContact C-N 3.26Å; S341-E343 PolarHBondContact O-N 3.33Å; E343-K347 WeakPolarHBondContact O-CB 3.01Å; E343-K347 PolarHBondContact O-N 3.18Å
344	K	92.4	Very high	90.9	Very high	149 Å²	149	87.7 Å²	87.7	65%	0.648	41%	0.413	S	S	*	.	H	α-helix	trans	-67.7	-46.1	175.9	-62.7	-177.3	179.5	-179.2	0	111	S341 V342 A346 K347 E348	S341-K344 WeakPolarHBondContact O-CA 3.39Å; S341-K344 WeakPolarHBondContact O-CB 3.26Å; S341-K344 PolarHBondContact O-N 3.34Å; V342-K344 VanDerWaalsContact C-N 3.34Å; K344-A346 PolarHBondContact O-N 2.88Å; K344-K347 WeakPolarHBondContact O-CB 3.41Å; K344-K347 PolarHBondContact O-N 3.38Å; K344-K347 VanDerWaalsContact O-N 3.17Å; K344-E348 WeakPolarHBondContact O-CG 3.39Å; K344-E348 PolarHBondContact O-N 3.48Å
345	E	92.1	Very high	91.3	Very high	76 Å²	76	87.8 Å²	87.8	36%	0.355	40%	0.401	S	S	.	.	H	α-helix	trans	-60.8	-43.9	176.7	-68.8	171.6	-143.2	0	0	111.4	L327 S341 V342 K347 E348 W349	L327-E345 HydrophobicContact CD1-CB 3.91Å; L327-E345 HydrophobicContact CD2-CB 4.17Å; S341-E345 WeakPolarHBondContact O-CG 3.19Å; S341-E345 PolarHBondContact O-N 2.86Å; S341-E345 PolarHBondContact OG-OE1 2.86Å; V342-E345 PolarHBondContact O-N 2.98Å; E345-K347 VanDerWaalsContact C-N 3.3Å; E345-K347 PolarHBondContact O-N 3.25Å; E345-E348 PolarHBondContact O-N 3.47Å; E345-W349 VanDerWaalsContact O-CD1 3.24Å; E345-W349 PolarHBondContact O-N 3.09Å
346	A	92.3	Very high	91.8	Very high	5 Å²	5	83.4 Å²	83.4	4%	0.041	38%	0.384	C	S	.	.	H	α-helix	trans	-58.8	-43.9	175.2	0	0	0	0	0	111.1	Y324 L327 V342 K344 G350	Y324-A346 WeakPolarHBondContact CD2-O 3.47Å; Y324-A346 VanDerWaalsContact CE2-O 3.25Å; Y324-A346 WeakPolarHBondContact CE2-O 3.46Å; L327-A346 HydrophobicContact CB-CB 3.82Å; V342-A346 VanDerWaalsContact O-CB 3.26Å; V342-A346 WeakPolarHBondContact O-CB 3.37Å; V342-A346 PolarHBondContact O-N 2.88Å; K344-A346 PolarHBondContact O-N 2.88Å; A346-G350 PolarHBondContact O-N 2.9Å
347	K	94.5	Very high	92.1	Very high	135 Å²	135	85.5 Å²	85.5	59%	0.587	41%	0.406	S	S	*	.	H	α-helix	trans	-62.2	-48.8	176.4	-175.1	-178.2	173.2	-174.7	0	111.7	E343 K344 E345 G350 E351	E343-K347 WeakPolarHBondContact O-CB 3.01Å; E343-K347 PolarHBondContact O-N 3.18Å; K344-K347 WeakPolarHBondContact O-CB 3.41Å; K344-K347 PolarHBondContact O-N 3.38Å; K344-K347 VanDerWaalsContact O-N 3.17Å; E345-K347 VanDerWaalsContact C-N 3.3Å; E345-K347 PolarHBondContact O-N 3.25Å; K347-G350 WeakPolarHBondContact O-CA 3.4Å; K347-G350 PolarHBondContact O-N 2.94Å; K347-G350 VanDerWaalsContact O-N 3.13Å; K347-E351 WeakPolarHBondContact CE-OE1 3.47Å; K347-E351 PolarHBondContact O-N 3.39Å
348	E	92.4	Very high	92.5	Very high	126 Å²	126	80 Å²	80	59%	0.589	39%	0.39	S	S	*	.	H	α-helix	trans	-59.5	-49	179.8	-74.6	176.2	-173.6	0	0	112.3	K344 E345 G350 E351 L352	K344-E348 WeakPolarHBondContact O-CG 3.39Å; K344-E348 PolarHBondContact O-N 3.48Å; E345-E348 PolarHBondContact O-N 3.47Å; E348-G350 VanDerWaalsContact C-N 3.26Å; E348-G350 PolarHBondContact O-N 3.32Å; E348-E351 PolarHBondContact O-N 2.88Å; E348-L352 WeakPolarHBondContact O-CB 3.41Å; E348-L352 PolarHBondContact O-N 3.44Å
349	W	94.1	Very high	92.7	Very high	59 Å²	59	71.8 Å²	71.8	22%	0.223	37%	0.37	C	S	.	.	H	α-helix	trans	-64.3	-32.7	175.9	-79.5	101.1	0	0	0	112.2	A320 K323 L327 E345 L352 R353	A320-W349 HydrophobicContact CB-CE3 3.82Å; A320-W349 HydrophobicContact CB-CZ3 3.9Å; K323-W349 HydrophobicContact CB-CD2 3.9Å; K323-W349 HydrophobicContact CB-CE3 4.05Å; K323-W349 HydrophobicContact CB-CG 4.25Å; K323-W349 HydrophobicContact CD-CD2 4Å; K323-W349 HydrophobicContact CD-CE3 3.99Å; K323-W349 HydrophobicContact CD-CH2 3.38Å; K323-W349 HydrophobicContact CD-CZ2 3.37Å; K323-W349 HydrophobicContact CD-CZ3 3.68Å; L327-W349 HydrophobicContact CD1-CB 4.45Å; L327-W349 HydrophobicContact CD1-CG 4.05Å; E345-W349 VanDerWaalsContact O-CD1 3.24Å; E345-W349 PolarHBondContact O-N 3.09Å; W349-L352 HydrophobicContact CE3-CD2 3.84Å; W349-L352 HydrophobicContact CH2-CD2 4.24Å; W349-L352 HydrophobicContact CZ3-CD2 3.63Å; W349-R353 WeakPolarHBondContact O-CG 3.36Å; W349-R353 PolarHBondContact O-N 3.16Å
350	G	94	Very high	92.8	Very high	12 Å²	12	72.9 Å²	72.9	12%	0.124	38%	0.376	C	S	.	.	H	α-helix	trans	-64.4	-42.7	175.3	0	0	0	0	0	113.3	Y324 A346 K347 E348 R353 Q354	Y324-G350 VanDerWaalsContact CD2-N 3.32Å; Y324-G350 VanDerWaalsContact CE2-CA 3.48Å; A346-G350 PolarHBondContact O-N 2.9Å; K347-G350 WeakPolarHBondContact O-CA 3.4Å; K347-G350 PolarHBondContact O-N 2.94Å; K347-G350 VanDerWaalsContact O-N 3.13Å; E348-G350 VanDerWaalsContact C-N 3.26Å; E348-G350 PolarHBondContact O-N 3.32Å; G350-R353 WeakPolarHBondContact O-CG 3.41Å; G350-Q354 PolarHBondContact O-N 3.41Å
351	E	94.4	Very high	93.2	Very high	90 Å²	90	69 Å²	69	42%	0.421	35%	0.351	S	S	.	.	H	α-helix	trans	-71.6	-41.4	175.1	-69.1	175.4	-173.4	0	0	111.4	K347 E348 Q354 R355	K347-E351 WeakPolarHBondContact CE-OE1 3.47Å; K347-E351 PolarHBondContact O-N 3.39Å; E348-E351 PolarHBondContact O-N 2.88Å; E351-Q354 PolarHBondContact O-N 3.01Å; E351-R355 PolarHBondContact O-N 3.24Å; E351-R355 VanDerWaalsContact O-N 3.1Å
352	L	93.6	Very high	93.5	Very high	24 Å²	24	66.1 Å²	66.1	13%	0.126	33%	0.331	C	S	.	.	H	α-helix	trans	-60.8	-48.7	177.2	178.2	59.8	0	0	0	111.7	E348 W349 Q354 R355 L356 E436	E348-L352 WeakPolarHBondContact O-CB 3.41Å; E348-L352 PolarHBondContact O-N 3.44Å; W349-L352 HydrophobicContact CE3-CD2 3.84Å; W349-L352 HydrophobicContact CH2-CD2 4.24Å; W349-L352 HydrophobicContact CZ3-CD2 3.63Å; L352-Q354 PolarHBondContact O-N 3.13Å; L352-R355 PolarHBondContact O-N 3.35Å; L352-L356 HydrophobicContact CD1-CD1 4.05Å; L352-L356 HydrophobicContact CD1-CD2 4.33Å; L352-L356 HydrophobicContact CD1-CG 3.92Å; L352-L356 HydrophobicContact CG-CD1 3.92Å; L352-L356 HydrophobicContact CG-CG 4.22Å; L352-L356 WeakPolarHBondContact O-CG 3.4Å; L352-L356 PolarHBondContact O-N 2.64Å; L352-E436 HydrophobicContact CD1-CG 3.71Å
353	R	94.5	Very high	93.8	Very high	79 Å²	79	66.4 Å²	66.4	30%	0.298	33%	0.333	S	S	.	.	H	α-helix	trans	-58.6	-37.4	178.9	66.2	169.3	-173	156.9	0.1	112.1	H317 A320 N321 W349 G350 L356 G357	H317-R353 PolarHBondContact CD2-O 3.36Å; H317-R353 VanDerWaalsContact CD2-O 3.3Å; A320-R353 HydrophobicContact CB-CB 3.95Å; N321-R353 WeakPolarHBondContact OD1-CD 3.24Å; W349-R353 WeakPolarHBondContact O-CG 3.36Å; W349-R353 PolarHBondContact O-N 3.16Å; G350-R353 WeakPolarHBondContact O-CG 3.41Å; R353-L356 PolarHBondContact O-N 2.99Å; R353-G357 PolarHBondContact O-N 3.29Å
354	Q	94.6	Very high	94.2	Very high	143 Å²	143	61.1 Å²	61.1	67%	0.668	31%	0.308	S	S	*	.	H	α-helix	trans	-67.8	-42.7	179.4	-174.5	179.3	0.5	0	0	111.1	G350 E351 L352 G357 S358	G350-Q354 PolarHBondContact O-N 3.41Å; E351-Q354 PolarHBondContact O-N 3.01Å; L352-Q354 PolarHBondContact O-N 3.13Å; Q354-G357 PolarHBondContact O-N 3.46Å; Q354-S358 WeakPolarHBondContact O-CB 3.24Å; Q354-S358 PolarHBondContact O-N 3.12Å; Q354-S358 PolarHBondContact O-OG 3.18Å
355	R	95.5	Very high	94.5	Very high	89 Å²	89	54.2 Å²	54.2	34%	0.336	28%	0.278	S	S	.	.	H	α-helix	trans	-67	-37.3	175.8	-70.7	-176.2	-70	-179	8.2	112.5	E351 L352 S358 G359 Q360 S361 E436	E351-R355 PolarHBondContact O-N 3.24Å; E351-R355 VanDerWaalsContact O-N 3.1Å; L352-R355 PolarHBondContact O-N 3.35Å; R355-S358 WeakPolarHBondContact CA-OG 3.44Å; R355-S358 PolarHBondContact O-OG 3.39Å; R355-G359 PolarHBondContact O-N 3.31Å; R355-Q360 HydrophobicContact CB-CB 4.31Å; R355-Q360 HydrophobicContact CG-CB 4.49Å; R355-Q360 PolarHBondContact O-N 3.4Å; R355-S361 PolarHBondContact O-N 3.2Å; R355-E436 IonicContact CZ-OE1 2.83Å; R355-E436 IonicContact CZ-OE2 3.56Å; R355-E436 IonicContact NE-OE2 2.68Å; R355-E436 IonicContact NH1-OE1 3.6Å; R355-E436 IonicContact NH1-OE2 2.72Å; R355-E436 IonicContact NH2-OE1 3.79Å; R355-E436 PolarHBondContact NH2-OE1 3.31Å; R355-E436 IonicContact NH2-OE2 3.9Å
356	L	94.9	Very high	94.8	Very high	3 Å²	3	50.7 Å²	50.7	2%	0.016	26%	0.262	C	S	.	.	H	α-helix	trans	-67.8	-43.9	173.9	-67.4	177.4	0	0	0	111.8	Q313 H317 A320 L352 R353 S358 G359 S361 V363	Q313-L356 PolarHBondContact NE2-O 3.25Å; H317-L356 HydrophobicContact CB-CB 4.22Å; A320-L356 HydrophobicContact CB-CD1 3.92Å; L352-L356 HydrophobicContact CD1-CD1 4.05Å; L352-L356 HydrophobicContact CD1-CD2 4.33Å; L352-L356 HydrophobicContact CD1-CG 3.92Å; L352-L356 HydrophobicContact CG-CD1 3.92Å; L352-L356 HydrophobicContact CG-CG 4.22Å; L352-L356 WeakPolarHBondContact O-CG 3.4Å; L352-L356 PolarHBondContact O-N 2.64Å; R353-L356 PolarHBondContact O-N 2.99Å; L356-S358 VanDerWaalsContact C-N 3.29Å; L356-S358 PolarHBondContact O-N 3.07Å; L356-G359 PolarHBondContact O-N 3.27Å; L356-S361 WeakPolarHBondContact CD2-O 3.29Å; L356-V363 HydrophobicContact CD1-CG2 4.01Å; L356-V363 HydrophobicContact CD2-CG2 3.92Å
357	G	92.5	Very high	95.1	Very high	51 Å²	51	50.5 Å²	50.5	53%	0.526	26%	0.26	S	S	.	.	H	α-helix	trans	-65.6	-30.9	179.6	0	0	0	0	0	113.4	H317 R353 Q354	H317-G357 PolarHBondContact CD2-N 3.13Å; R353-G357 PolarHBondContact O-N 3.29Å; Q354-G357 PolarHBondContact O-N 3.46Å
358	S	93.1	Very high	95.2	Very high	65 Å²	65	44.2 Å²	44.2	46%	0.455	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-3.6	176.7	56.5	0	0	0	0	114.5	Q354 R355 L356 Q360	Q354-S358 WeakPolarHBondContact O-CB 3.24Å; Q354-S358 PolarHBondContact O-N 3.12Å; Q354-S358 PolarHBondContact O-OG 3.18Å; R355-S358 WeakPolarHBondContact CA-OG 3.44Å; R355-S358 PolarHBondContact O-OG 3.39Å; L356-S358 VanDerWaalsContact C-N 3.29Å; L356-S358 PolarHBondContact O-N 3.07Å; S358-Q360 PolarHBondContact O-N 3.49Å; S358-Q360 WeakPolarHBondContact OG-CG 3.44Å
359	G	91	Very high	95.5	Very high	35 Å²	35	38.3 Å²	38.3	36%	0.361	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	70	10.5	-175.3	0	0	0	0	0	114.7	R88 R355 L356 S361	R88-G359 PolarHBondContact NH1-O 3.34Å; R355-G359 PolarHBondContact O-N 3.31Å; L356-G359 PolarHBondContact O-N 3.27Å; G359-S361 VanDerWaalsContact C-N 3.25Å; G359-S361 PolarHBondContact O-N 3.02Å
360	Q	93.4	Very high	95.7	Very high	123 Å²	123	35.5 Å²	35.5	58%	0.575	20%	0.195	S	C	*	.	S	Bend	trans	-69.9	-23.9	175.4	-71.1	179.2	-13	0	0	112.5	R88 R355 S358	R88-Q360 WeakPolarHBondContact CD-O 3.41Å; R88-Q360 PolarHBondContact NE-O 3.21Å; R355-Q360 HydrophobicContact CB-CB 4.31Å; R355-Q360 HydrophobicContact CG-CB 4.49Å; R355-Q360 PolarHBondContact O-N 3.4Å; S358-Q360 PolarHBondContact O-N 3.49Å; S358-Q360 WeakPolarHBondContact OG-CG 3.44Å
361	S	94.8	Very high	95.9	Very high	4 Å²	4	35 Å²	35	3%	0.028	19%	0.189	C	C	.	.			trans	-137.7	158.8	178.3	-169.4	0	0	0	0	110.9	Q313 R355 L356 G359 E436	Q313-S361 PolarHBondContact NE2-O 3.31Å; R355-S361 PolarHBondContact O-N 3.2Å; L356-S361 WeakPolarHBondContact CD2-O 3.29Å; G359-S361 VanDerWaalsContact C-N 3.25Å; G359-S361 PolarHBondContact O-N 3.02Å; S361-E436 VanDerWaalsContact CB-OE2 3.28Å; S361-E436 WeakPolarHBondContact CB-OE2 3.17Å; S361-E436 PolarHBondContact OG-OE2 3.24Å
362	S	97.3	Very high	96.1	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.007	17%	0.169	C	C	.	.			trans	-132.8	148.5	167.7	-66.4	0	0	0	0	109.6	R93 Q313 E436 S437	R93-S362 PolarHBondContact NH2-OG 3.09Å; R93-S362 VanDerWaalsContact NH2-OG 3.16Å; Q313-S362 PolarHBondContact OE1-OG 2.79Å; S362-E436 CarbonylContact O-C 3.59Å; S362-E436 WeakPolarHBondContact O-CA 3.21Å; S362-S437 PolarHBondContact N-OG 3.4Å; S362-S437 PolarHBondContact O-N 2.84Å
363	V	97.8	Very high	96.3	Very high	14 Å²	14	29.8 Å²	29.8	9%	0.085	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	135.8	171.8	-176.8	0	0	0	0	109.5	E311 T316 L356 R434	E311-V363 WeakPolarHBondContact CB-O 3.41Å; E311-V363 PolarHBondContact N-O 2.87Å; T316-V363 HydrophobicContact CG2-CB 3.75Å; T316-V363 HydrophobicContact CG2-CG1 4.41Å; T316-V363 HydrophobicContact CG2-CG2 3.95Å; L356-V363 HydrophobicContact CD1-CG2 4.01Å; L356-V363 HydrophobicContact CD2-CG2 3.92Å; V363-R434 HydrophobicContact CG1-CB 4.44Å
364	V	98.5	Very high	96.3	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	121.2	179.3	-177.6	0	0	0	0	109.1	L308 V309 V310 R434 A435 V440	L308-V364 HydrophobicContact CB-CG1 3.87Å; L308-V364 HydrophobicContact CD1-CG1 4.36Å; V309-V364 WeakPolarHBondContact O-CA 3.42Å; V310-V364 HydrophobicContact CG1-CG2 4.25Å; V310-V364 HydrophobicContact CG2-CG2 4.19Å; V364-R434 WeakPolarHBondContact O-CA 3.36Å; V364-A435 PolarHBondContact N-O 3.14Å; V364-A435 PolarHBondContact O-N 3.16Å; V364-V440 HydrophobicContact CB-CB 4.27Å; V364-V440 HydrophobicContact CB-CG2 3.74Å; V364-V440 HydrophobicContact CG1-CB 4.17Å; V364-V440 HydrophobicContact CG1-CG1 3.96Å; V364-V440 HydrophobicContact CG1-CG2 3.89Å
365	S	98.5	Very high	96.3	Very high	4 Å²	4	23.5 Å²	23.5	3%	0.028	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	130.1	164.9	-76.5	0	0	0	0	108.4	L308 V309 E311 K427 Q433	L308-S365 CarbonylContact C-O 3.53Å; L308-S365 WeakPolarHBondContact CA-O 3.44Å; V309-S365 PolarHBondContact N-O 3.47Å; V309-S365 PolarHBondContact O-N 2.95Å; E311-S365 PolarHBondContact OE1-OG 2.86Å; S365-K427 VanDerWaalsContact OG-CE 3.31Å; S365-K427 WeakPolarHBondContact OG-CE 3.12Å; S365-K427 PolarHBondContact OG-NZ 3.44Å; S365-Q433 CarbonylContact C-O 3.59Å; S365-Q433 WeakPolarHBondContact CA-O 3.47Å
366	Y	98.5	Very high	96.3	Very high	2 Å²	2	22.3 Å²	22.3	1%	0.008	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	159.1	179.8	75.7	-86.3	0	0	0	114	L272 N275 L306 T307 Q433 A435 V440 L443	L272-Y366 HydrophobicContact CD1-CE2 3.98Å; N275-Y366 PolarHBondContact OD1-OH 3.45Å; L306-Y366 HydrophobicContact CD1-CD2 3.64Å; L306-Y366 HydrophobicContact CD1-CG 4.21Å; T307-Y366 CarbonylContact O-C 3.5Å; T307-Y366 WeakPolarHBondContact O-CA 3.31Å; Y366-Q433 HydrophobicContact CD1-CB 4.22Å; Y366-Q433 HydrophobicContact CE1-CB 3.73Å; Y366-Q433 HydrophobicContact CE2-CB 4.14Å; Y366-Q433 PolarHBondContact N-O 2.84Å; Y366-Q433 PolarHBondContact O-N 3.04Å; Y366-A435 HydrophobicContact CE1-CB 3.91Å; Y366-V440 HydrophobicContact CD1-CG2 3.55Å; Y366-V440 HydrophobicContact CE1-CG2 3.94Å; Y366-V440 HydrophobicContact CG-CG1 4.49Å; Y366-V440 HydrophobicContact CG-CG2 4.2Å; Y366-L443 HydrophobicContact CD2-CD1 4.3Å; Y366-L443 HydrophobicContact CE1-CD1 4.09Å; Y366-L443 HydrophobicContact CE2-CD1 3.51Å; Y366-L443 VanDerWaalsContact OH-CD1 3.24Å; Y366-L443 WeakPolarHBondContact OH-CD1 3.43Å
367	F	98.3	Very high	96.2	Very high	2 Å²	2	25.1 Å²	25.1	1%	0.009	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	117.2	175.9	178.8	-108.5	0	0	0	108.8	H271 T307 N369 T412 L426 V431 V432	H271-F367 HydrophobicContact CB-CE2 3.6Å; H271-F367 HydrophobicContact CB-CZ 3.79Å; H271-F367 AromaticContact CD2-CE2 4Å; H271-F367 AromaticContact CG-CE2 3.8Å; T307-F367 PolarHBondContact N-O 2.77Å; T307-F367 PolarHBondContact O-N 2.77Å; F367-N369 HydrophobicContact CD1-CB 4.08Å; F367-N369 HydrophobicContact CE1-CB 3.46Å; F367-N369 VanDerWaalsContact CE1-CB 3.46Å; F367-N369 HydrophobicContact CZ-CB 3.95Å; F367-T412 HydrophobicContact CD1-CG2 3.8Å; F367-T412 HydrophobicContact CE1-CG2 3.88Å; F367-L426 HydrophobicContact CB-CD1 4.28Å; F367-L426 HydrophobicContact CD1-CD1 3.77Å; F367-L426 HydrophobicContact CD1-CD2 4.36Å; F367-L426 HydrophobicContact CD2-CD2 4.47Å; F367-L426 HydrophobicContact CE1-CD1 4.2Å; F367-L426 HydrophobicContact CE1-CD2 4.08Å; F367-L426 HydrophobicContact CE2-CD2 4.23Å; F367-L426 HydrophobicContact CG-CD1 4Å; F367-L426 HydrophobicContact CZ-CD2 4.02Å; F367-V431 HydrophobicContact CD2-CB 4.31Å; F367-V431 HydrophobicContact CD2-CG2 3.92Å; F367-V431 HydrophobicContact CE2-CB 4.01Å; F367-V431 HydrophobicContact CE2-CG2 3.66Å; F367-V432 HydrophobicContact CB-CG2 4.48Å
368	L	98.2	Very high	96.4	Very high	3 Å²	3	27.6 Å²	27.6	2%	0.016	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	122.5	176.5	-173.4	71.3	0	0	0	108.8	H271 L272 L304 T305 L306	H271-L368 VanDerWaalsContact CA-O 3.31Å; H271-L368 WeakPolarHBondContact CA-O 3.29Å; H271-L368 WeakPolarHBondContact CB-O 3.34Å; L272-L368 HydrophobicContact CD1-CB 3.73Å; L272-L368 HydrophobicContact CD1-CD2 3.68Å; L272-L368 HydrophobicContact CD1-CG 4.33Å; L272-L368 HydrophobicContact CD2-CD2 4.4Å; L272-L368 HydrophobicContact CG-CB 4.07Å; L272-L368 HydrophobicContact CG-CD2 4Å; L272-L368 PolarHBondContact N-O 2.97Å; L304-L368 HydrophobicContact CD1-CD1 3.85Å; L304-L368 HydrophobicContact CD1-CG 4.16Å; L304-L368 HydrophobicContact CG-CD1 4.46Å; T305-L368 WeakPolarHBondContact O-CA 3.46Å; L306-L368 HydrophobicContact CB-CD1 3.96Å; L306-L368 HydrophobicContact CD1-CB 4.35Å; L306-L368 HydrophobicContact CD1-CD1 4.11Å
369	N	98	Very high	96.5	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.005	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	140.7	-176.1	-179.4	77.8	0	0	0	111.7	N269 F270 T305 F367 T371 N409	N269-N369 PolarHBondContact OD1-ND2 2.79Å; F270-N369 CarbonylContact O-C 3.58Å; F270-N369 VanDerWaalsContact O-CA 3.26Å; F270-N369 WeakPolarHBondContact O-CA 3.48Å; F270-N369 PolarHBondContact O-OD1 3.06Å; F270-N369 VanDerWaalsContact O-OD1 3.11Å; T305-N369 PolarHBondContact N-O 3.22Å; T305-N369 PolarHBondContact O-N 3.41Å; F367-N369 HydrophobicContact CD1-CB 4.08Å; F367-N369 HydrophobicContact CE1-CB 3.46Å; F367-N369 VanDerWaalsContact CE1-CB 3.46Å; F367-N369 HydrophobicContact CZ-CB 3.95Å; N369-T371 PolarHBondContact ND2-OG1 3.39Å; N369-T371 VanDerWaalsContact ND2-OG1 3.1Å; N369-N409 WeakPolarHBondContact OD1-CB 3.36Å; N369-N409 PolarHBondContact OD1-ND2 3.33Å
370	I	98.4	Very high	96.6	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.005	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	125	171.1	-56	164.5	0	0	0	107	N269 F270 F302 I303 L304 I388 F392 L399	N269-I370 CarbonylContact C-O 3.58Å; N269-I370 WeakPolarHBondContact CA-O 3.46Å; F270-I370 HydrophobicContact CB-CB 4.37Å; F270-I370 PolarHBondContact N-O 2.96Å; F270-I370 PolarHBondContact O-N 2.82Å; F302-I370 HydrophobicContact CB-CG2 4.35Å; I303-I370 WeakPolarHBondContact O-CA 3.36Å; L304-I370 HydrophobicContact CD1-CG1 3.61Å; I370-I388 HydrophobicContact CD1-CG2 3.88Å; I370-F392 HydrophobicContact CD1-CD1 4.34Å; I370-F392 HydrophobicContact CD1-CD2 3.99Å; I370-F392 HydrophobicContact CD1-CE1 3.8Å; I370-F392 HydrophobicContact CD1-CE2 3.42Å; I370-F392 VanDerWaalsContact CD1-CE2 3.42Å; I370-F392 HydrophobicContact CD1-CG 4.44Å; I370-F392 HydrophobicContact CD1-CZ 3.3Å; I370-F392 HydrophobicContact CG1-CZ 4.14Å; I370-L399 HydrophobicContact CD1-CD1 3.46Å; I370-L399 VanDerWaalsContact CD1-CD1 3.46Å; I370-L399 HydrophobicContact CD1-CD2 4.42Å
371	T	98.6	Very high	96.6	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	108.5	169.2	-60.2	0	0	0	0	107.7	I267 L268 N269 F302 I303 N369 F373 F410	I267-T371 HydrophobicContact CG2-CG2 3.57Å; L268-T371 CarbonylContact O-C 3.41Å; L268-T371 WeakPolarHBondContact O-CA 3.36Å; N269-T371 WeakPolarHBondContact OD1-CB 3.47Å; N269-T371 PolarHBondContact OD1-OG1 3.5Å; F302-T371 CarbonylContact C-O 3.29Å; F302-T371 WeakPolarHBondContact CA-O 3.44Å; F302-T371 WeakPolarHBondContact CB-O 3.39Å; I303-T371 PolarHBondContact N-O 3.01Å; I303-T371 PolarHBondContact O-N 3.31Å; N369-T371 PolarHBondContact ND2-OG1 3.39Å; N369-T371 VanDerWaalsContact ND2-OG1 3.1Å; T371-F373 HydrophobicContact CG2-CE1 4.31Å; T371-F373 HydrophobicContact CG2-CE2 4Å; T371-F373 HydrophobicContact CG2-CZ 3.73Å; T371-F410 HydrophobicContact CG2-CD2 3.85Å; T371-F410 HydrophobicContact CG2-CE2 4.38Å
372	A	98.1	Very high	96.7	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.008	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	146.4	179.6	0	0	0	0	0	111	I267 L268 F302 V384 I388	I267-A372 WeakPolarHBondContact CA-O 3.47Å; L268-A372 PolarHBondContact N-O 2.75Å; L268-A372 PolarHBondContact O-N 3.14Å; F302-A372 HydrophobicContact CB-CB 4.32Å; A372-V384 HydrophobicContact CB-CG1 4.18Å; A372-I388 HydrophobicContact CB-CD1 3.6Å
373	F	97.5	Very high	96.5	Very high	5 Å²	5	34.5 Å²	34.5	2%	0.022	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	131.1	179.8	-54.7	-91.9	0	0	0	109.7	H216 R266 I267 C300 P301 I303 T371 F410	H216-F373 HydrophobicContact CB-CD1 3.54Å; H216-F373 HydrophobicContact CB-CE1 3.81Å; H216-F373 HydrophobicContact CB-CG 4.08Å; H216-F373 VanDerWaalsContact CD2-CB 3.43Å; H216-F373 WeakPolarHBondContact CD2-CB 3.46Å; H216-F373 AromaticContact CD2-CD1 3.89Å; H216-F373 AromaticContact CD2-CG 3.86Å; H216-F373 AromaticContact CG-CD1 3.61Å; H216-F373 AromaticContact CG-CG 3.67Å; R266-F373 WeakPolarHBondContact O-CA 3.27Å; I267-F373 HydrophobicContact CD1-CD1 4.32Å; I267-F373 HydrophobicContact CD1-CE1 3.98Å; I267-F373 HydrophobicContact CG1-CD1 3.87Å; I267-F373 HydrophobicContact CG1-CE1 3.98Å; I267-F373 HydrophobicContact CG2-CD1 4.41Å; I267-F373 HydrophobicContact CG2-CE1 4.19Å; C300-F373 VanDerWaalsContact CB-O 3.31Å; C300-F373 WeakPolarHBondContact CB-O 3.46Å; P301-F373 HydrophobicContact CB-CB 4.43Å; P301-F373 HydrophobicContact CB-CD2 4.49Å; P301-F373 WeakPolarHBondContact CD-O 3.25Å; P301-F373 PolarHBondContact O-N 3.3Å; I303-F373 HydrophobicContact CD1-CE2 3.9Å; I303-F373 HydrophobicContact CD1-CZ 4.07Å; I303-F373 HydrophobicContact CG1-CE2 4.1Å; T371-F373 HydrophobicContact CG2-CE1 4.31Å; T371-F373 HydrophobicContact CG2-CE2 4Å; T371-F373 HydrophobicContact CG2-CZ 3.73Å; F373-F410 HydrophobicContact CE1-CE2 4.1Å; F373-F410 HydrophobicContact CZ-CE2 4.19Å
374	C	95.6	Very high	96.3	Very high	9 Å²	9	34.2 Å²	34.2	6%	0.061	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	171.7	175.6	67	0	0	0	0	111.2	A265 R266 T380 V384	A265-C374 CarbonylContact C-O 3.57Å; A265-C374 WeakPolarHBondContact CA-O 3.3Å; R266-C374 PolarHBondContact N-O 3.05Å; R266-C374 PolarHBondContact O-N 2.62Å; C374-T380 HydrophobicContact CB-CG2 4.14Å; C374-V384 HydrophobicContact CB-CG2 4.02Å
375	N	93.9	Very high	96.2	Very high	81 Å²	81	37.1 Å²	37.1	43%	0.433	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.2	143.3	169.7	-69.4	-37.5	0	0	0	110.4	P218 N377	P218-N375 WeakPolarHBondContact CB-OD1 3.39Å; N375-N377 PolarHBondContact O-N 2.89Å
376	D	95.1	Very high	96	Very high	64 Å²	64	41.6 Å²	41.6	34%	0.342	21%	0.212	S	C	.	.	S	Bend	trans	-75.5	73.1	177.1	-169.8	30.6	0	0	0	111.8	T264 R266	T264-D376 HydrophobicContact CG2-CB 3.77Å; T264-D376 PolarHBondContact O-N 3.03Å; R266-D376 HydrophobicContact CB-CB 4.41Å; R266-D376 IonicContact CZ-OD1 3.49Å; R266-D376 IonicContact NE-OD1 3.83Å; R266-D376 PolarHBondContact NE-OD1 2.98Å; R266-D376 IonicContact NH2-OD1 3.7Å; R266-D376 PolarHBondContact NH2-OD1 2.85Å
377	N	93.8	Very high	95.7	Very high	62 Å²	62	44.1 Å²	44.1	33%	0.332	23%	0.226	S	C	.	.			trans	-136.5	141.1	178.2	167.6	-77.8	0	0	0	108.9	R266 N375 E379 T380 A381	R266-N377 PolarHBondContact NH1-O 2.86Å; N375-N377 PolarHBondContact O-N 2.89Å; N377-E379 VanDerWaalsContact CG-OE2 3.22Å; N377-E379 PolarHBondContact ND2-OE2 2.89Å; N377-E379 WeakPolarHBondContact OD1-CA 3.33Å; N377-E379 WeakPolarHBondContact OD1-CB 3.35Å; N377-E379 PolarHBondContact OD1-N 3.06Å; N377-E379 PolarHBondContact OD1-OE2 2.85Å; N377-T380 PolarHBondContact OD1-N 2.83Å; N377-T380 PolarHBondContact OD1-OG1 3.16Å; N377-A381 WeakPolarHBondContact O-CB 3.39Å; N377-A381 PolarHBondContact O-N 2.93Å
378	N	95.4	Very high	95.6	Very high	102 Å²	102	44 Å²	44	55%	0.545	23%	0.225	S	C	.	.	H	α-helix	trans	-71.2	-39.1	-174.2	-72.9	-19.3	0	0	0	113.2	R266 L382	R266-N378 PolarHBondContact NH1-OD1 3.17Å; R266-N378 PolarHBondContact NH2-OD1 2.93Å; N378-L382 WeakPolarHBondContact O-CB 3.22Å; N378-L382 PolarHBondContact O-N 3.27Å; N378-L382 VanDerWaalsContact O-N 3.09Å
379	E	95.3	Very high	95.5	Very high	119 Å²	119	45.4 Å²	45.4	56%	0.556	23%	0.233	S	C	*	.	H	α-helix	trans	-64.3	-52.2	177.4	-61.6	74	-157.2	0	0	110.5	N377 A381 L382 E383	N377-E379 VanDerWaalsContact CG-OE2 3.22Å; N377-E379 PolarHBondContact ND2-OE2 2.89Å; N377-E379 WeakPolarHBondContact OD1-CA 3.33Å; N377-E379 WeakPolarHBondContact OD1-CB 3.35Å; N377-E379 PolarHBondContact OD1-N 3.06Å; N377-E379 PolarHBondContact OD1-OE2 2.85Å; E379-A381 VanDerWaalsContact C-N 3.31Å; E379-A381 PolarHBondContact O-N 3.18Å; E379-L382 PolarHBondContact O-N 3.39Å; E379-L382 VanDerWaalsContact O-N 3.17Å; E379-E383 WeakPolarHBondContact O-CG 3.41Å; E379-E383 PolarHBondContact O-N 3.25Å
380	T	92.8	Very high	95.2	Very high	42 Å²	42	48.9 Å²	48.9	26%	0.258	25%	0.251	S	S	.	.	H	α-helix	trans	-59.1	-40.4	177.4	-54.1	0	0	0	0	112.2	C374 N377 E383 V384	C374-T380 HydrophobicContact CB-CG2 4.14Å; N377-T380 PolarHBondContact OD1-N 2.83Å; N377-T380 PolarHBondContact OD1-OG1 3.16Å; T380-E383 PolarHBondContact O-N 3.1Å; T380-V384 HydrophobicContact CG2-CG2 4.49Å; T380-V384 WeakPolarHBondContact O-CB 3.27Å; T380-V384 VanDerWaalsContact O-CG2 3.27Å; T380-V384 WeakPolarHBondContact O-CG2 3.43Å; T380-V384 PolarHBondContact O-N 3.39Å
381	A	95.3	Very high	95	Very high	6 Å²	6	48.9 Å²	48.9	5%	0.05	25%	0.252	C	S	.	.	H	α-helix	trans	-65.6	-39.4	178.9	0	0	0	0	0	112.5	R266 L268 N377 E379 E385	R266-A381 VanDerWaalsContact CD-CB 3.5Å; L268-A381 HydrophobicContact CD1-CB 4.38Å; N377-A381 WeakPolarHBondContact O-CB 3.39Å; N377-A381 PolarHBondContact O-N 2.93Å; E379-A381 VanDerWaalsContact C-N 3.31Å; E379-A381 PolarHBondContact O-N 3.18Å; A381-E385 WeakPolarHBondContact O-CB 3.26Å; A381-E385 PolarHBondContact O-N 2.98Å
382	L	95.3	Very high	94.9	Very high	93 Å²	93	49 Å²	49	49%	0.487	25%	0.252	S	S	.	.	H	α-helix	trans	-67.6	-42.8	177.4	179.9	62.5	0	0	0	111.3	N378 E379 E385 Q386	N378-L382 WeakPolarHBondContact O-CB 3.22Å; N378-L382 PolarHBondContact O-N 3.27Å; N378-L382 VanDerWaalsContact O-N 3.09Å; E379-L382 PolarHBondContact O-N 3.39Å; E379-L382 VanDerWaalsContact O-N 3.17Å; L382-E385 PolarHBondContact O-N 3.11Å; L382-Q386 HydrophobicContact CD1-CG 4.41Å; L382-Q386 WeakPolarHBondContact O-CB 3.28Å; L382-Q386 VanDerWaalsContact O-CG 3.3Å; L382-Q386 WeakPolarHBondContact O-CG 3.16Å; L382-Q386 PolarHBondContact O-N 3.23Å
383	E	92.8	Very high	94.7	Very high	114 Å²	114	55.4 Å²	55.4	53%	0.533	28%	0.276	S	S	.	.	H	α-helix	trans	-57.9	-50.6	174	-71.7	171	177	0	0	110.8	E379 T380 E385 Q386 D387	E379-E383 WeakPolarHBondContact O-CG 3.41Å; E379-E383 PolarHBondContact O-N 3.25Å; T380-E383 PolarHBondContact O-N 3.1Å; E383-E385 VanDerWaalsContact C-N 3.33Å; E383-E385 PolarHBondContact O-N 3.08Å; E383-Q386 PolarHBondContact O-N 2.84Å; E383-Q386 VanDerWaalsContact O-N 3.15Å; E383-D387 WeakPolarHBondContact O-CB 3.41Å; E383-D387 VanDerWaalsContact O-CG 3.29Å; E383-D387 PolarHBondContact O-N 2.88Å
384	V	94.5	Very high	94.4	Very high	7 Å²	7	60.5 Å²	60.5	4%	0.042	30%	0.298	C	S	.	.	H	α-helix	trans	-59.1	-43	177.8	167.2	0	0	0	0	112	L268 C300 A372 C374 T380 I388	L268-V384 HydrophobicContact CD1-CB 4.46Å; L268-V384 HydrophobicContact CD1-CG1 4.08Å; C300-V384 HydrophobicContact CB-CG2 4.09Å; C300-V384 VanDerWaalsContact SG-CG1 3.52Å; A372-V384 HydrophobicContact CB-CG1 4.18Å; C374-V384 HydrophobicContact CB-CG2 4.02Å; T380-V384 HydrophobicContact CG2-CG2 4.49Å; T380-V384 WeakPolarHBondContact O-CB 3.27Å; T380-V384 VanDerWaalsContact O-CG2 3.27Å; T380-V384 WeakPolarHBondContact O-CG2 3.43Å; T380-V384 PolarHBondContact O-N 3.39Å; V384-I388 HydrophobicContact CG1-CD1 3.74Å; V384-I388 WeakPolarHBondContact O-CB 3.28Å; V384-I388 WeakPolarHBondContact O-CD1 3.49Å; V384-I388 VanDerWaalsContact O-CG1 3.23Å; V384-I388 WeakPolarHBondContact O-CG1 3.32Å; V384-I388 PolarHBondContact O-N 2.79Å; V384-I388 VanDerWaalsContact O-N 3.1Å
385	E	96	Very high	94.1	Very high	62 Å²	62	62.2 Å²	62.2	29%	0.29	31%	0.306	S	S	.	.	H	α-helix	trans	-61.1	-47	175.7	173	165.3	-170.2	0	0	111.4	F270 A381 L382 E383 I388 L389	F270-E385 HydrophobicContact CE1-CB 4.41Å; F270-E385 HydrophobicContact CE1-CG 3.82Å; F270-E385 HydrophobicContact CZ-CB 3.95Å; F270-E385 HydrophobicContact CZ-CG 3.88Å; A381-E385 WeakPolarHBondContact O-CB 3.26Å; A381-E385 PolarHBondContact O-N 2.98Å; L382-E385 PolarHBondContact O-N 3.11Å; E383-E385 VanDerWaalsContact C-N 3.33Å; E383-E385 PolarHBondContact O-N 3.08Å; E385-I388 PolarHBondContact O-N 3.1Å; E385-L389 HydrophobicContact CG-CD1 3.82Å; E385-L389 HydrophobicContact CG-CG 4.35Å; E385-L389 WeakPolarHBondContact O-CB 3.44Å; E385-L389 WeakPolarHBondContact O-CG 3.29Å; E385-L389 PolarHBondContact O-N 2.8Å
386	Q	94.2	Very high	94.1	Very high	97 Å²	97	60.7 Å²	60.7	45%	0.453	31%	0.31	S	S	.	.	H	α-helix	trans	-63.6	-43.8	179.4	-72.6	177.1	-4.8	0	0	112.2	L382 E383 I388 L389 N390	L382-Q386 HydrophobicContact CD1-CG 4.41Å; L382-Q386 WeakPolarHBondContact O-CB 3.28Å; L382-Q386 VanDerWaalsContact O-CG 3.3Å; L382-Q386 WeakPolarHBondContact O-CG 3.16Å; L382-Q386 PolarHBondContact O-N 3.23Å; E383-Q386 PolarHBondContact O-N 2.84Å; E383-Q386 VanDerWaalsContact O-N 3.15Å; Q386-I388 PolarHBondContact O-N 3.4Å; Q386-L389 PolarHBondContact O-N 3.44Å; Q386-N390 VanDerWaalsContact O-CB 3.23Å; Q386-N390 WeakPolarHBondContact O-CB 3.43Å; Q386-N390 PolarHBondContact O-N 3.37Å; Q386-N390 PolarHBondContact O-ND2 3.11Å
387	D	92.4	Very high	94.1	Very high	55 Å²	55	58 Å²	58	29%	0.294	30%	0.295	S	S	.	.	H	α-helix	trans	-59.4	-48	178.5	-72.8	-13.5	0	0	0	111.3	E383 S391	E383-D387 WeakPolarHBondContact O-CB 3.41Å; E383-D387 VanDerWaalsContact O-CG 3.29Å; E383-D387 PolarHBondContact O-N 2.88Å; D387-S391 WeakPolarHBondContact O-CB 3.22Å; D387-S391 PolarHBondContact O-N 3.25Å
388	I	96	Very high	94.3	Very high	0 Å²	0	59 Å²	59	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-62.1	-50.2	178.7	-68.7	167.3	0	0	0	110.6	F270 I298 I370 A372 V384 E385 Q386 F392 L399	F270-I388 HydrophobicContact CD2-CD1 3.92Å; F270-I388 HydrophobicContact CD2-CG2 3.9Å; F270-I388 HydrophobicContact CE2-CB 4.47Å; F270-I388 HydrophobicContact CE2-CD1 3.55Å; F270-I388 HydrophobicContact CE2-CG2 4.29Å; F270-I388 HydrophobicContact CG-CG2 4.09Å; F270-I388 HydrophobicContact CZ-CD1 4.41Å; I298-I388 HydrophobicContact CD1-CG1 3.77Å; I298-I388 HydrophobicContact CG1-CG1 3.78Å; I298-I388 HydrophobicContact CG2-CD1 4.44Å; I298-I388 HydrophobicContact CG2-CG1 4.11Å; I370-I388 HydrophobicContact CD1-CG2 3.88Å; A372-I388 HydrophobicContact CB-CD1 3.6Å; V384-I388 HydrophobicContact CG1-CD1 3.74Å; V384-I388 WeakPolarHBondContact O-CB 3.28Å; V384-I388 WeakPolarHBondContact O-CD1 3.49Å; V384-I388 VanDerWaalsContact O-CG1 3.23Å; V384-I388 WeakPolarHBondContact O-CG1 3.32Å; V384-I388 PolarHBondContact O-N 2.79Å; V384-I388 VanDerWaalsContact O-N 3.1Å; E385-I388 PolarHBondContact O-N 3.1Å; Q386-I388 PolarHBondContact O-N 3.4Å; I388-F392 WeakPolarHBondContact O-CD2 3.46Å; I388-F392 PolarHBondContact O-N 2.68Å; I388-L399 HydrophobicContact CG2-CD1 3.76Å
389	L	95.8	Very high	94.4	Very high	32 Å²	32	54.9 Å²	54.9	17%	0.168	28%	0.276	C	S	.	.	H	α-helix	trans	-64.2	-43.1	-177.1	-68.4	179	0	0	0	111.7	F270 E385 Q386 R393 L399	F270-L389 HydrophobicContact CD1-CD2 4.01Å; F270-L389 HydrophobicContact CE1-CD2 4.29Å; F270-L389 HydrophobicContact CE1-CG 4.42Å; E385-L389 HydrophobicContact CG-CD1 3.82Å; E385-L389 HydrophobicContact CG-CG 4.35Å; E385-L389 WeakPolarHBondContact O-CB 3.44Å; E385-L389 WeakPolarHBondContact O-CG 3.29Å; E385-L389 PolarHBondContact O-N 2.8Å; Q386-L389 PolarHBondContact O-N 3.44Å; L389-R393 WeakPolarHBondContact O-CB 3.36Å; L389-R393 PolarHBondContact O-N 3.11Å; L389-L399 HydrophobicContact CD2-CB 3.75Å
390	N	93.4	Very high	94.3	Very high	75 Å²	75	52.6 Å²	52.6	40%	0.401	27%	0.267	S	S	.	.	H	α-helix	trans	-70.2	-42.3	-178.8	-71.1	-25.2	0	0	0	112	Q386 R393 K394	Q386-N390 VanDerWaalsContact O-CB 3.23Å; Q386-N390 WeakPolarHBondContact O-CB 3.43Å; Q386-N390 PolarHBondContact O-N 3.37Å; Q386-N390 PolarHBondContact O-ND2 3.11Å; N390-R393 PolarHBondContact O-N 2.88Å; N390-K394 PolarHBondContact O-N 2.87Å; N390-K394 VanDerWaalsContact O-N 3.13Å
391	S	94	Very high	94.5	Very high	1 Å²	1	52.5 Å²	52.5	1%	0.007	27%	0.268	C	S	.	.	H	α-helix	trans	-60.4	-48.4	179.5	-172.1	0	0	0	0	111.7	N287 L296 D387	N287-S391 WeakPolarHBondContact O-CB 3.28Å; N287-S391 PolarHBondContact O-OG 3.02Å; L296-S391 PolarHBondContact O-OG 3.4Å; D387-S391 WeakPolarHBondContact O-CB 3.22Å; D387-S391 PolarHBondContact O-N 3.25Å
392	F	95.9	Very high	94.5	Very high	2 Å²	2	52.5 Å²	52.5	1%	0.009	27%	0.267	C	S	.	.	H	α-helix	trans	-70.2	-40.3	178.2	-85.8	-106.7	0	0	0	112.7	N287 I298 L304 I370 I388 K394 N395 G396 F397 L399	N287-F392 HydrophobicContact CB-CD1 3.88Å; N287-F392 HydrophobicContact CB-CD2 4.03Å; N287-F392 HydrophobicContact CB-CE1 3.6Å; N287-F392 HydrophobicContact CB-CE2 3.73Å; N287-F392 HydrophobicContact CB-CG 4.09Å; N287-F392 HydrophobicContact CB-CZ 3.51Å; N287-F392 VanDerWaalsContact O-CD2 3.23Å; N287-F392 WeakPolarHBondContact O-CD2 3.35Å; N287-F392 WeakPolarHBondContact O-CE2 3.13Å; I298-F392 HydrophobicContact CD1-CE2 3.98Å; L304-F392 HydrophobicContact CD1-CZ 4.5Å; I370-F392 HydrophobicContact CD1-CD1 4.34Å; I370-F392 HydrophobicContact CD1-CD2 3.99Å; I370-F392 HydrophobicContact CD1-CE1 3.8Å; I370-F392 HydrophobicContact CD1-CE2 3.42Å; I370-F392 VanDerWaalsContact CD1-CE2 3.42Å; I370-F392 HydrophobicContact CD1-CG 4.44Å; I370-F392 HydrophobicContact CD1-CZ 3.3Å; I370-F392 HydrophobicContact CG1-CZ 4.14Å; I388-F392 WeakPolarHBondContact O-CD2 3.46Å; I388-F392 PolarHBondContact O-N 2.68Å; F392-K394 VanDerWaalsContact C-N 3.31Å; F392-K394 PolarHBondContact O-N 2.8Å; F392-N395 PolarHBondContact O-N 3.38Å; F392-N395 VanDerWaalsContact O-N 3.13Å; F392-G396 PolarHBondContact O-N 3.09Å; F392-F397 CarbonylContact C-O 3.54Å; F392-F397 VanDerWaalsContact C-O 3.29Å; F392-F397 HydrophobicContact CB-CB 3.91Å; F392-F397 HydrophobicContact CD1-CB 3.74Å; F392-F397 HydrophobicContact CD1-CD1 4.49Å; F392-F397 HydrophobicContact CD1-CG 4.09Å; F392-F397 HydrophobicContact CG-CB 4.32Å; F392-F397 WeakPolarHBondContact O-CB 3.24Å; F392-F397 PolarHBondContact O-N 3.34Å; F392-L399 HydrophobicContact CB-CD1 3.55Å; F392-L399 HydrophobicContact CB-CG 3.9Å; F392-L399 HydrophobicContact CD1-CD1 3.72Å; F392-L399 HydrophobicContact CD1-CD2 4.23Å; F392-L399 HydrophobicContact CD1-CG 4.07Å; F392-L399 HydrophobicContact CD2-CD1 3.77Å; F392-L399 HydrophobicContact CE1-CD1 4.36Å; F392-L399 HydrophobicContact CE2-CD1 4.41Å; F392-L399 HydrophobicContact CG-CD1 3.39Å; F392-L399 HydrophobicContact CG-CG 4.04Å
393	R	94.6	Very high	94.4	Very high	136 Å²	136	55.4 Å²	55.4	51%	0.513	27%	0.272	S	S	.	.	H	α-helix	trans	-60.4	-39.2	-179.9	-175.9	-175.8	-65.2	147	0	112.1	L389 N390 N395 G396 F397	L389-R393 WeakPolarHBondContact O-CB 3.36Å; L389-R393 PolarHBondContact O-N 3.11Å; N390-R393 PolarHBondContact O-N 2.88Å; R393-N395 PolarHBondContact O-N 2.82Å; R393-G396 PolarHBondContact O-N 3.33Å; R393-F397 WeakPolarHBondContact CA-O 3.34Å; R393-F397 PolarHBondContact N-O 3.29Å
394	K	90.6	Very high	94.5	Very high	111 Å²	111	56.6 Å²	56.6	48%	0.483	28%	0.276	S	S	.	.	H	α-helix	trans	-60.5	-30.4	178.9	-170.8	177.2	-174.5	173.7	0	112.8	N293 L296 N390 F392 G396	N293-K394 PolarHBondContact ND2-NZ 2.93Å; N293-K394 PolarHBondContact OD1-NZ 3.39Å; L296-K394 HydrophobicContact CD1-CB 4.27Å; L296-K394 HydrophobicContact CD1-CD 2.99Å; L296-K394 HydrophobicContact CD1-CG 4.24Å; L296-K394 HydrophobicContact CG-CD 4.44Å; N390-K394 PolarHBondContact O-N 2.87Å; N390-K394 VanDerWaalsContact O-N 3.13Å; F392-K394 VanDerWaalsContact C-N 3.31Å; F392-K394 PolarHBondContact O-N 2.8Å; K394-G396 VanDerWaalsContact C-N 3.35Å
395	N	90.2	Very high	94.6	Very high	45 Å²	45	59.2 Å²	59.2	24%	0.241	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	12.5	177.9	-66.5	-18.9	0	0	0	113.1	D286 N287 F392 R393 F397	D286-N395 VanDerWaalsContact C-ND2 3.25Å; D286-N395 PolarHBondContact O-ND2 3.14Å; N287-N395 PolarHBondContact N-ND2 3.45Å; N287-N395 WeakPolarHBondContact OD1-CB 3.28Å; N287-N395 PolarHBondContact OD1-ND2 3Å; F392-N395 PolarHBondContact O-N 3.38Å; F392-N395 VanDerWaalsContact O-N 3.13Å; R393-N395 PolarHBondContact O-N 2.82Å; N395-F397 HydrophobicContact CB-CD2 3.99Å; N395-F397 HydrophobicContact CB-CE2 4.25Å; N395-F397 WeakPolarHBondContact O-CD2 3.36Å
396	G	93.1	Very high	94.6	Very high	49 Å²	49	56.3 Å²	56.3	51%	0.505	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.9	13.7	176.6	0	0	0	0	0	115.2	F392 R393 K394	F392-G396 PolarHBondContact O-N 3.09Å; R393-G396 PolarHBondContact O-N 3.33Å; K394-G396 VanDerWaalsContact C-N 3.35Å
397	F	95.9	Very high	94.7	Very high	9 Å²	9	53.9 Å²	53.9	4%	0.039	27%	0.265	C	S	.	.			trans	-98.7	115.8	176.1	-66	-101.3	0	0	0	110.5	L272 P276 A279 M284 N287 F392 R393 N395 L443	L272-F397 HydrophobicContact CD2-CB 4.12Å; L272-F397 HydrophobicContact CD2-CD1 3.81Å; L272-F397 HydrophobicContact CD2-CG 4.47Å; P276-F397 HydrophobicContact CB-CD1 4.1Å; P276-F397 HydrophobicContact CB-CE1 4.1Å; P276-F397 HydrophobicContact CB-CG 4.45Å; P276-F397 HydrophobicContact CB-CZ 4.39Å; P276-F397 HydrophobicContact CG-CD1 4.12Å; P276-F397 HydrophobicContact CG-CE1 3.79Å; P276-F397 HydrophobicContact CG-CZ 4.29Å; A279-F397 HydrophobicContact CB-CZ 3.9Å; M284-F397 HydrophobicContact SD-CE1 4.17Å; M284-F397 HydrophobicContact SD-CZ 3.81Å; N287-F397 VanDerWaalsContact ND2-CE2 3.34Å; N287-F397 WeakPolarHBondContact ND2-CE2 3.46Å; N287-F397 WeakPolarHBondContact OD1-CD2 3.28Å; N287-F397 WeakPolarHBondContact OD1-CE2 3.21Å; F392-F397 CarbonylContact C-O 3.54Å; F392-F397 VanDerWaalsContact C-O 3.29Å; F392-F397 HydrophobicContact CB-CB 3.91Å; F392-F397 HydrophobicContact CD1-CB 3.74Å; F392-F397 HydrophobicContact CD1-CD1 4.49Å; F392-F397 HydrophobicContact CD1-CG 4.09Å; F392-F397 HydrophobicContact CG-CB 4.32Å; F392-F397 WeakPolarHBondContact O-CB 3.24Å; F392-F397 PolarHBondContact O-N 3.34Å; R393-F397 WeakPolarHBondContact CA-O 3.34Å; R393-F397 PolarHBondContact N-O 3.29Å; N395-F397 HydrophobicContact CB-CD2 3.99Å; N395-F397 HydrophobicContact CB-CE2 4.25Å; N395-F397 WeakPolarHBondContact O-CD2 3.36Å; F397-L443 HydrophobicContact CE1-CD2 3.7Å; F397-L443 HydrophobicContact CZ-CD2 4.12Å
398	E	96.4	Very high	94.8	Very high	82 Å²	82	52.8 Å²	52.8	38%	0.383	26%	0.257	S	S	.	.			trans	-91.7	107	176.2	-170.3	173.6	178	0	0	110.3	L272 A273 R274	L272-E398 WeakPolarHBondContact CA-O 3.33Å; A273-E398 HydrophobicContact CB-CB 4.37Å; A273-E398 HydrophobicContact CB-CG 4.03Å; A273-E398 PolarHBondContact N-O 2.76Å; R274-E398 IonicContact CZ-OE2 3.42Å; R274-E398 IonicContact NE-OE2 3.96Å; R274-E398 PolarHBondContact NE-OE2 2.81Å; R274-E398 IonicContact NH2-OE2 3.72Å; R274-E398 PolarHBondContact NH2-OE2 3.37Å
399	L	97.1	Very high	94.9	Very high	16 Å²	16	52.8 Å²	52.8	8%	0.084	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	149	177.7	-65.2	-179.3	0	0	0	112	F270 H271 L272 I370 I388 L389 F392	F270-L399 HydrophobicContact CB-CB 4.41Å; F270-L399 HydrophobicContact CB-CD1 4.28Å; H271-L399 CarbonylContact O-C 3.59Å; H271-L399 WeakPolarHBondContact O-CA 3.48Å; L272-L399 HydrophobicContact CD2-CD2 3.83Å; L272-L399 HydrophobicContact CG-CD2 4.35Å; I370-L399 HydrophobicContact CD1-CD1 3.46Å; I370-L399 VanDerWaalsContact CD1-CD1 3.46Å; I370-L399 HydrophobicContact CD1-CD2 4.42Å; I388-L399 HydrophobicContact CG2-CD1 3.76Å; L389-L399 HydrophobicContact CD2-CB 3.75Å; F392-L399 HydrophobicContact CB-CD1 3.55Å; F392-L399 HydrophobicContact CB-CG 3.9Å; F392-L399 HydrophobicContact CD1-CD1 3.72Å; F392-L399 HydrophobicContact CD1-CD2 4.23Å; F392-L399 HydrophobicContact CD1-CG 4.07Å; F392-L399 HydrophobicContact CD2-CD1 3.77Å; F392-L399 HydrophobicContact CE1-CD1 4.36Å; F392-L399 HydrophobicContact CE2-CD1 4.41Å; F392-L399 HydrophobicContact CG-CD1 3.39Å; F392-L399 HydrophobicContact CG-CG 4.04Å
400	I	94.8	Very high	95	Very high	71 Å²	71	51.3 Å²	51.3	36%	0.364	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	143.7	173.6	53.3	164.3	0	0	0	111.9	F270 H271 A273	F270-I400 WeakPolarHBondContact CA-O 3.38Å; H271-I400 PolarHBondContact N-O 3.42Å; H271-I400 VanDerWaalsContact NE2-CD1 3.29Å; H271-I400 WeakPolarHBondContact NE2-CD1 3.28Å; H271-I400 WeakPolarHBondContact O-CG1 3.46Å; H271-I400 PolarHBondContact O-N 3.24Å; A273-I400 HydrophobicContact CB-CG1 4.36Å; A273-I400 HydrophobicContact CB-CG2 3.97Å
401	S	96.4	Very high	95.1	Very high	39 Å²	39	48.8 Å²	48.8	27%	0.273	24%	0.235	S	C	.	.			trans	-80.7	123.4	171	-174.9	0	0	0	0	110.4	R403 H406	S401-R403 PolarHBondContact O-N 3Å; S401-R403 VanDerWaalsContact O-N 3.07Å; S401-H406 PolarHBondContact OG-CE1 3.17Å
402	P	94.6	Very high	95.2	Very high	7 Å²	7	48.8 Å²	48.8	5%	0.045	24%	0.235	C	C	.	.			trans	-84	78.2	-171.5	36.8	-37.2	0	0	0	111.8	N269 F404 N405 H406	N269-P402 HydrophobicContact CB-CG 3.87Å; N269-P402 WeakPolarHBondContact O-CD 3.34Å; P402-F404 PolarHBondContact O-N 2.87Å; P402-N405 HydrophobicContact CB-CB 3.86Å; P402-N405 CarbonylContact O-C 3.55Å; P402-N405 WeakPolarHBondContact O-CA 3.47Å; P402-N405 WeakPolarHBondContact O-CB 3.37Å; P402-N405 PolarHBondContact O-N 3.07Å; P402-H406 PolarHBondContact O-CD2 2.64Å; P402-H406 PolarHBondContact O-N 3.11Å; P402-H406 PolarHBondContact O-NE2 3.06Å
403	R	94.1	Very high	95.2	Very high	153 Å²	153	48.7 Å²	48.7	58%	0.577	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.8	132.4	175.9	-169.3	168.3	-172.4	-157.9	-2.2	112	A249 D250 S401 N405	A249-R403 HydrophobicContact CB-CG 4.5Å; A249-R403 CarbonylContact O-C 3.47Å; A249-R403 WeakPolarHBondContact O-CA 3.49Å; D250-R403 VanDerWaalsContact OD1-CD 3.3Å; D250-R403 WeakPolarHBondContact OD1-CD 3.49Å; D250-R403 VanDerWaalsContact OD1-CG 3.25Å; D250-R403 WeakPolarHBondContact OD1-CG 3.26Å; D250-R403 IonicContact OD1-NE 3.94Å; D250-R403 PolarHBondContact OD1-NE 3.22Å; S401-R403 PolarHBondContact O-N 3Å; S401-R403 VanDerWaalsContact O-N 3.07Å; R403-N405 PolarHBondContact O-N 2.72Å; R403-N405 VanDerWaalsContact O-N 3.14Å; R403-N405 PolarHBondContact O-ND2 3.28Å
404	F	94.7	Very high	95.4	Very high	140 Å²	140	42.2 Å²	42.2	61%	0.614	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.5	1.1	-170.5	-56.9	-72.2	0	0	0	116.4	A249 P402	A249-F404 HydrophobicContact CB-CD1 3.81Å; A249-F404 HydrophobicContact CB-CE1 3.41Å; A249-F404 VanDerWaalsContact CB-CE1 3.41Å; A249-F404 HydrophobicContact CB-CZ 3.87Å; A249-F404 PolarHBondContact O-N 3.44Å; P402-F404 PolarHBondContact O-N 2.87Å
405	N	95.7	Very high	95.7	Very high	61 Å²	61	36.9 Å²	36.9	33%	0.326	19%	0.187	S	C	.	.			trans	-120.7	9.5	-170.7	-73.5	-86.2	0	0	0	113.2	P402 R403 M407 R408 N409	P402-N405 HydrophobicContact CB-CB 3.86Å; P402-N405 CarbonylContact O-C 3.55Å; P402-N405 WeakPolarHBondContact O-CA 3.47Å; P402-N405 WeakPolarHBondContact O-CB 3.37Å; P402-N405 PolarHBondContact O-N 3.07Å; R403-N405 PolarHBondContact O-N 2.72Å; R403-N405 VanDerWaalsContact O-N 3.14Å; R403-N405 PolarHBondContact O-ND2 3.28Å; N405-M407 VanDerWaalsContact C-N 3.3Å; N405-M407 PolarHBondContact O-N 3.26Å; N405-R408 PolarHBondContact O-N 3.06Å; N405-R408 PolarHBondContact OD1-NH1 3.08Å; N405-R408 VanDerWaalsContact OD1-NH1 3.09Å; N405-N409 PolarHBondContact O-N 2.92Å; N405-N409 VanDerWaalsContact O-N 3.11Å; N405-N409 PolarHBondContact O-OD1 3.19Å
406	H	97.1	Very high	96.1	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.005	18%	0.176	C	C	.	.	H	α-helix	trans	-59.2	-37.8	177.7	-70.2	-97.4	0	0	0	112.8	D250 L252 N269 S401 P402 N409 F410	D250-H406 VanDerWaalsContact C-CD2 3.49Å; D250-H406 PolarHBondContact O-CE1 3.42Å; D250-H406 PolarHBondContact O-NE2 2.95Å; L252-H406 HydrophobicContact CD2-CB 3.9Å; L252-H406 HydrophobicContact CG-CB 3.89Å; N269-H406 PolarHBondContact N-ND1 3.26Å; N269-H406 PolarHBondContact ND2-O 2.9Å; N269-H406 VanDerWaalsContact ND2-O 3.13Å; S401-H406 PolarHBondContact OG-CE1 3.17Å; P402-H406 PolarHBondContact O-CD2 2.64Å; P402-H406 PolarHBondContact O-N 3.11Å; P402-H406 PolarHBondContact O-NE2 3.06Å; H406-N409 PolarHBondContact O-N 3.25Å; H406-F410 VanDerWaalsContact O-CB 3.29Å; H406-F410 WeakPolarHBondContact O-CB 3.37Å; H406-F410 PolarHBondContact O-N 2.95Å
407	M	95.8	Very high	96.2	Very high	47 Å²	47	33.1 Å²	33.1	23%	0.232	16%	0.155	C	C	.	.	H	α-helix	trans	-63	-45.7	177.5	179.2	58.6	123.6	0	0	111.8	F41 L245 V247 L252 N405 N409 F410 L411	F41-M407 HydrophobicContact CD2-CE 4.42Å; F41-M407 HydrophobicContact CE2-CE 4.37Å; F41-M407 HydrophobicContact CE2-SD 4.48Å; L245-M407 HydrophobicContact CD2-CE 3.52Å; L245-M407 HydrophobicContact CD2-SD 3.92Å; V247-M407 HydrophobicContact CG1-CB 4.29Å; V247-M407 HydrophobicContact CG2-CB 4.29Å; V247-M407 HydrophobicContact CG2-CE 3.96Å; V247-M407 HydrophobicContact CG2-CG 4.43Å; L252-M407 HydrophobicContact CD2-CB 4.19Å; N405-M407 VanDerWaalsContact C-N 3.3Å; N405-M407 PolarHBondContact O-N 3.26Å; M407-N409 VanDerWaalsContact C-N 3.34Å; M407-N409 PolarHBondContact O-N 3.06Å; M407-F410 PolarHBondContact O-N 3.02Å; M407-L411 HydrophobicContact CG-CD1 4.43Å; M407-L411 WeakPolarHBondContact O-CG 3.45Å; M407-L411 PolarHBondContact O-N 3.42Å; M407-L411 HydrophobicContact SD-CD1 4.45Å; M407-L411 HydrophobicContact SD-CG 4.27Å
408	R	95.1	Very high	96.2	Very high	32 Å²	32	32.8 Å²	32.8	12%	0.121	15%	0.154	C	C	.	.	H	α-helix	trans	-59.2	-45.8	176.5	-178.7	-162	68	-165.9	2.2	111.2	N405 L411 T412 L422 L426	N405-R408 PolarHBondContact O-N 3.06Å; N405-R408 PolarHBondContact OD1-NH1 3.08Å; N405-R408 VanDerWaalsContact OD1-NH1 3.09Å; R408-L411 PolarHBondContact O-N 2.82Å; R408-T412 PolarHBondContact O-N 3.28Å; R408-T412 VanDerWaalsContact O-N 3.08Å; R408-T412 PolarHBondContact O-OG1 3.13Å; R408-L422 HydrophobicContact CG-CD1 3.96Å; R408-L426 HydrophobicContact CG-CD2 4.23Å
409	N	97.1	Very high	95.9	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-68.5	-39.8	-179.6	-76	34.2	0	0	0	111.9	N269 H271 N369 N405 H406 M407 T412 C413	N269-N409 HydrophobicContact CB-CB 3.71Å; H271-N409 PolarHBondContact ND1-ND2 3.42Å; N369-N409 WeakPolarHBondContact OD1-CB 3.36Å; N369-N409 PolarHBondContact OD1-ND2 3.33Å; N405-N409 PolarHBondContact O-N 2.92Å; N405-N409 VanDerWaalsContact O-N 3.11Å; N405-N409 PolarHBondContact O-OD1 3.19Å; H406-N409 PolarHBondContact O-N 3.25Å; M407-N409 VanDerWaalsContact C-N 3.34Å; M407-N409 PolarHBondContact O-N 3.06Å; N409-T412 WeakPolarHBondContact O-CB 3.13Å; N409-T412 PolarHBondContact O-N 2.92Å; N409-T412 VanDerWaalsContact O-N 3.1Å; N409-C413 PolarHBondContact O-N 3.2Å
410	F	97.9	Very high	95.4	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-60.3	-45.5	173.1	-179.4	-119.4	0	0	0	111.6	F41 L252 I267 T371 F373 H406 M407 T412 C413	F41-F410 HydrophobicContact CE2-CE1 4.31Å; F41-F410 HydrophobicContact CZ-CD1 4.44Å; F41-F410 AromaticContact CZ-CE1 3.89Å; F41-F410 HydrophobicContact CZ-CE1 3.89Å; L252-F410 HydrophobicContact CD1-CB 3.67Å; L252-F410 HydrophobicContact CD1-CD1 3.97Å; L252-F410 HydrophobicContact CD1-CG 3.88Å; I267-F410 HydrophobicContact CD1-CD2 4.17Å; I267-F410 HydrophobicContact CD1-CE1 4.42Å; I267-F410 HydrophobicContact CD1-CE2 3.83Å; I267-F410 HydrophobicContact CD1-CZ 3.96Å; I267-F410 HydrophobicContact CG2-CD2 4Å; I267-F410 HydrophobicContact CG2-CE2 4.44Å; T371-F410 HydrophobicContact CG2-CD2 3.85Å; T371-F410 HydrophobicContact CG2-CE2 4.38Å; F373-F410 HydrophobicContact CE1-CE2 4.1Å; F373-F410 HydrophobicContact CZ-CE2 4.19Å; H406-F410 VanDerWaalsContact O-CB 3.29Å; H406-F410 WeakPolarHBondContact O-CB 3.37Å; H406-F410 PolarHBondContact O-N 2.95Å; M407-F410 PolarHBondContact O-N 3.02Å; F410-T412 PolarHBondContact O-N 2.86Å; F410-C413 PolarHBondContact O-N 3.48Å; F410-C413 PolarHBondContact O-SG 2.88Å
411	L	97	Very high	95.2	Very high	22 Å²	22	30.7 Å²	30.7	12%	0.115	15%	0.153	C	C	.	.	H	α-helix	trans	-62.7	-29.1	174.6	-69.8	178.3	0	0	0	112.9	F41 M407 R408 C413 L414 M417 L422	F41-L411 HydrophobicContact CE2-CD2 3.76Å; F41-L411 HydrophobicContact CZ-CD2 3.86Å; M407-L411 HydrophobicContact CG-CD1 4.43Å; M407-L411 WeakPolarHBondContact O-CG 3.45Å; M407-L411 PolarHBondContact O-N 3.42Å; M407-L411 HydrophobicContact SD-CD1 4.45Å; M407-L411 HydrophobicContact SD-CG 4.27Å; R408-L411 PolarHBondContact O-N 2.82Å; L411-C413 VanDerWaalsContact C-N 3.32Å; L411-L414 HydrophobicContact CD2-CD1 4.31Å; L411-L414 PolarHBondContact O-N 3.12Å; L411-M417 HydrophobicContact CB-CE 3.95Å; L411-M417 HydrophobicContact CD1-CE 4.14Å; L411-M417 HydrophobicContact CD2-CE 4.08Å; L411-M417 HydrophobicContact CG-CE 4.27Å; L411-M417 WeakPolarHBondContact O-CB 3.09Å; L411-M417 VanDerWaalsContact O-CG 3.24Å; L411-M417 WeakPolarHBondContact O-CG 3.35Å; L411-L422 HydrophobicContact CB-CD2 3.89Å
412	T	95.4	Very high	95.1	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.006	14%	0.143	C	C	.	.	H	α-helix	trans	-71.7	-26.7	178.8	-53.6	0	0	0	0	112.4	F367 R408 N409 F410 L414 L422 L426	F367-T412 HydrophobicContact CD1-CG2 3.8Å; F367-T412 HydrophobicContact CE1-CG2 3.88Å; R408-T412 PolarHBondContact O-N 3.28Å; R408-T412 VanDerWaalsContact O-N 3.08Å; R408-T412 PolarHBondContact O-OG1 3.13Å; N409-T412 WeakPolarHBondContact O-CB 3.13Å; N409-T412 PolarHBondContact O-N 2.92Å; N409-T412 VanDerWaalsContact O-N 3.1Å; F410-T412 PolarHBondContact O-N 2.86Å; T412-L414 PolarHBondContact O-N 3.03Å; T412-L422 VanDerWaalsContact OG1-CD2 3.28Å; T412-L422 WeakPolarHBondContact OG1-CD2 3.37Å; T412-L426 HydrophobicContact CG2-CD1 3.76Å
413	C	96	Very high	95.2	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-73.8	-14.9	177.8	83.1	0	0	0	0	113	H100 I303 N409 F410 L411	H100-C413 PolarHBondContact CE1-O 2.68Å; H100-C413 PolarHBondContact ND1-O 3.44Å; I303-C413 HydrophobicContact CG2-CB 4.41Å; N409-C413 PolarHBondContact O-N 3.2Å; F410-C413 PolarHBondContact O-N 3.48Å; F410-C413 PolarHBondContact O-SG 2.88Å; L411-C413 VanDerWaalsContact C-N 3.32Å
414	L	98.2	Very high	95.3	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.144	C	C	.	.	S	Bend	trans	-84.4	143.6	-179.6	-57.3	179.5	0	0	0	112.1	F41 L45 M213 I214 L411 T412 M417	F41-L414 HydrophobicContact CZ-CD1 4.21Å; L45-L414 HydrophobicContact CD2-CD1 3.75Å; M213-L414 HydrophobicContact CB-CD2 3.98Å; I214-L414 HydrophobicContact CD1-CD1 4.22Å; I214-L414 HydrophobicContact CD1-CD2 4.42Å; I214-L414 HydrophobicContact CG1-CD1 4.01Å; I214-L414 HydrophobicContact CG1-CD2 3.67Å; L411-L414 HydrophobicContact CD2-CD1 4.31Å; L411-L414 PolarHBondContact O-N 3.12Å; T412-L414 PolarHBondContact O-N 3.03Å; L414-M417 HydrophobicContact CB-CG 3.98Å
415	P	97.9	Very high	95.2	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	148.2	177.2	-28.5	36.9	0	0	0	113.7	Y47 M66 F206 V210 M213 M417	Y47-P415 WeakPolarHBondContact CE1-O 3.5Å; Y47-P415 PolarHBondContact OH-O 3.06Å; Y47-P415 VanDerWaalsContact OH-O 3.06Å; M66-P415 HydrophobicContact CE-CG 3.97Å; M66-P415 HydrophobicContact SD-CB 4.27Å; M66-P415 HydrophobicContact SD-CG 3.91Å; F206-P415 HydrophobicContact CE2-CB 4.25Å; V210-P415 HydrophobicContact CG2-CG 3.91Å; M213-P415 HydrophobicContact SD-CG 4.49Å; P415-M417 PolarHBondContact O-N 3.25Å
416	F	97.6	Very high	95.3	Very high	2 Å²	2	24.2 Å²	24.2	1%	0.009	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.7	-8.5	173.6	-46.1	-45.1	0	0	0	117.6	P46 Y47 F57 N59 F65 M66 Y165 C166 F206 G419 K420	P46-F416 HydrophobicContact CG-CB 3.95Å; Y47-F416 AromaticContact CD1-CD2 3.86Å; Y47-F416 HydrophobicContact CD1-CD2 3.86Å; Y47-F416 HydrophobicContact CE1-CB 4.29Å; Y47-F416 AromaticContact CE1-CD2 3.75Å; Y47-F416 HydrophobicContact CE1-CD2 3.75Å; Y47-F416 HydrophobicContact CE1-CG 4.48Å; F57-F416 HydrophobicContact CB-CE2 3.83Å; F57-F416 HydrophobicContact CB-CZ 4.08Å; F57-F416 HydrophobicContact CD1-CE2 4.32Å; F57-F416 AromaticContact CD2-CE2 3.89Å; F57-F416 HydrophobicContact CD2-CE2 3.89Å; F57-F416 AromaticContact CD2-CZ 3.64Å; F57-F416 HydrophobicContact CD2-CZ 3.64Å; F57-F416 HydrophobicContact CE2-CZ 4.35Å; F57-F416 AromaticContact CG-CE2 3.73Å; F57-F416 HydrophobicContact CG-CE2 3.73Å; F57-F416 AromaticContact CG-CZ 3.95Å; F57-F416 HydrophobicContact CG-CZ 3.95Å; N59-F416 WeakPolarHBondContact ND2-CD2 3.44Å; N59-F416 WeakPolarHBondContact ND2-CG 3.23Å; F65-F416 WeakPolarHBondContact O-CE1 3.39Å; M66-F416 HydrophobicContact CB-CZ 4.12Å; Y165-F416 WeakPolarHBondContact O-CE1 3.3Å; C166-F416 HydrophobicContact CB-CB 4.32Å; C166-F416 HydrophobicContact CB-CD1 3.7Å; C166-F416 HydrophobicContact CB-CE1 4.42Å; C166-F416 HydrophobicContact CB-CG 4.29Å; C166-F416 PolarHBondContact SG-O 3.46Å; C166-F416 VanDerWaalsContact SG-O 3.38Å; F206-F416 HydrophobicContact CE2-CD2 4.23Å; F206-F416 AromaticContact CE2-CE2 3.57Å; F206-F416 HydrophobicContact CE2-CE2 3.57Å; F206-F416 HydrophobicContact CE2-CZ 4.36Å; F206-F416 HydrophobicContact CZ-CD2 4.23Å; F206-F416 AromaticContact CZ-CE2 3.93Å; F206-F416 HydrophobicContact CZ-CE2 3.93Å; F416-G419 PolarHBondContact O-N 3.33Å; F416-K420 PolarHBondContact O-N 3.26Å
417	M	96.5	Very high	95.2	Very high	13 Å²	13	28.4 Å²	28.4	6%	0.064	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-39.6	178.3	-73.9	-61.8	-67.8	0	0	112.6	P46 L411 L414 P415 G419 K420 L422	P46-M417 WeakPolarHBondContact CD-SD 3.26Å; P46-M417 HydrophobicContact CG-SD 4.17Å; L411-M417 HydrophobicContact CB-CE 3.95Å; L411-M417 HydrophobicContact CD1-CE 4.14Å; L411-M417 HydrophobicContact CD2-CE 4.08Å; L411-M417 HydrophobicContact CG-CE 4.27Å; L411-M417 WeakPolarHBondContact O-CB 3.09Å; L411-M417 VanDerWaalsContact O-CG 3.24Å; L411-M417 WeakPolarHBondContact O-CG 3.35Å; L414-M417 HydrophobicContact CB-CG 3.98Å; P415-M417 PolarHBondContact O-N 3.25Å; M417-G419 PolarHBondContact O-N 3.41Å; M417-K420 PolarHBondContact O-N 3.04Å; M417-L422 HydrophobicContact CB-CD2 4.07Å; M417-L422 HydrophobicContact CE-CD2 4.5Å; M417-L422 VanDerWaalsContact O-CB 3.24Å; M417-L422 WeakPolarHBondContact O-CB 3.39Å
418	A	94.1	Very high	95.1	Very high	2 Å²	2	32.2 Å²	32.2	2%	0.017	16%	0.158	C	C	.	.	I	π-helix	trans	-58.6	-46	178.2	0	0	0	0	0	112.4	P96 T307 K420 G421 L422 F423	P96-A418 HydrophobicContact CB-CB 3.84Å; P96-A418 HydrophobicContact CG-CB 4.31Å; T307-A418 HydrophobicContact CG2-CB 3.65Å; A418-K420 PolarHBondContact O-N 3.03Å; A418-G421 PolarHBondContact O-N 3.4Å; A418-L422 PolarHBondContact O-N 2.91Å; A418-F423 HydrophobicContact CB-CB 4.47Å; A418-F423 PolarHBondContact O-N 2.81Å
419	G	90	Very high	95	Very high	13 Å²	13	33.1 Å²	33.1	13%	0.134	17%	0.172	C	C	.	.	I	π-helix	trans	-73	-20.8	-179.2	0	0	0	0	0	114.6	F416 M417 G421	F416-G419 PolarHBondContact O-N 3.33Å; M417-G419 PolarHBondContact O-N 3.41Å; G419-G421 PolarHBondContact O-N 3.04Å
420	K	88.5	Confident	94.9	Very high	78 Å²	78	36.1 Å²	36.1	34%	0.339	20%	0.203	S	C	.	.	I	π-helix	trans	-66.8	-12.2	170.3	-176.2	172.9	176.5	167.2	0	113.3	L44 P46 D60 F416 M417 A418	L44-K420 PolarHBondContact O-NZ 2.87Å; P46-K420 HydrophobicContact CB-CD 4.17Å; D60-K420 WeakPolarHBondContact OD2-CE 2.85Å; D60-K420 IonicContact OD2-NZ 2.71Å; D60-K420 PolarHBondContact OD2-NZ 3.41Å; F416-K420 PolarHBondContact O-N 3.26Å; M417-K420 PolarHBondContact O-N 3.04Å; A418-K420 PolarHBondContact O-N 3.03Å
421	G	90.2	Very high	94.8	Very high	33 Å²	33	37.1 Å²	37.1	34%	0.34	21%	0.209	S	C	.	.	I	π-helix	trans	123.4	-3.5	178.3	0	0	0	0	0	114.2	A418 G419 F423 K424 Q425	A418-G421 PolarHBondContact O-N 3.4Å; G419-G421 PolarHBondContact O-N 3.04Å; G421-F423 PolarHBondContact O-N 3.43Å; G421-K424 VanDerWaalsContact O-CB 3.27Å; G421-K424 WeakPolarHBondContact O-CB 3.3Å; G421-K424 PolarHBondContact O-N 3.02Å; G421-Q425 PolarHBondContact O-N 3.01Å
422	L	94.1	Very high	94.9	Very high	13 Å²	13	37.1 Å²	37.1	7%	0.068	21%	0.21	C	C	.	.	I	π-helix	trans	-61.1	-32	177.8	-172.3	59.8	0	0	0	111.9	R408 L411 T412 M417 A418 K424 Q425 L426	R408-L422 HydrophobicContact CG-CD1 3.96Å; L411-L422 HydrophobicContact CB-CD2 3.89Å; T412-L422 VanDerWaalsContact OG1-CD2 3.28Å; T412-L422 WeakPolarHBondContact OG1-CD2 3.37Å; M417-L422 HydrophobicContact CB-CD2 4.07Å; M417-L422 HydrophobicContact CE-CD2 4.5Å; M417-L422 VanDerWaalsContact O-CB 3.24Å; M417-L422 WeakPolarHBondContact O-CB 3.39Å; A418-L422 PolarHBondContact O-N 2.91Å; L422-K424 PolarHBondContact O-N 3.32Å; L422-Q425 HydrophobicContact CD1-CB 4.46Å; L422-Q425 WeakPolarHBondContact O-CB 3.25Å; L422-Q425 PolarHBondContact O-N 3.35Å; L422-Q425 VanDerWaalsContact O-N 3.11Å; L422-L426 WeakPolarHBondContact O-CG 3.47Å; L422-L426 PolarHBondContact O-N 3.16Å
423	F	96.7	Very high	95	Very high	10 Å²	10	38.6 Å²	38.6	4%	0.044	22%	0.217	C	C	.	.	H	α-helix	trans	-62.9	-31.5	175.1	-166.7	-104.9	0	0	0	113.2	P96 T307 V309 A418 G421 L426 K427 V432	P96-F423 HydrophobicContact CG-CB 3.85Å; P96-F423 HydrophobicContact CG-CD1 4.37Å; P96-F423 HydrophobicContact CG-CG 4.12Å; T307-F423 HydrophobicContact CG2-CD2 3.49Å; T307-F423 VanDerWaalsContact CG2-CD2 3.49Å; T307-F423 HydrophobicContact CG2-CE2 3.82Å; T307-F423 HydrophobicContact CG2-CG 4.47Å; V309-F423 HydrophobicContact CB-CD1 4.3Å; V309-F423 HydrophobicContact CB-CE1 3.53Å; V309-F423 HydrophobicContact CB-CZ 3.86Å; V309-F423 HydrophobicContact CG1-CE1 4.36Å; V309-F423 HydrophobicContact CG2-CD1 3.47Å; V309-F423 VanDerWaalsContact CG2-CD1 3.47Å; V309-F423 HydrophobicContact CG2-CD2 4.5Å; V309-F423 HydrophobicContact CG2-CE1 3.16Å; V309-F423 HydrophobicContact CG2-CE2 4.28Å; V309-F423 HydrophobicContact CG2-CG 4.13Å; V309-F423 HydrophobicContact CG2-CZ 3.62Å; A418-F423 HydrophobicContact CB-CB 4.47Å; A418-F423 PolarHBondContact O-N 2.81Å; G421-F423 PolarHBondContact O-N 3.43Å; F423-L426 HydrophobicContact CD2-CD1 4.27Å; F423-L426 PolarHBondContact O-N 3.32Å; F423-K427 HydrophobicContact CD1-CD 4.38Å; F423-K427 HydrophobicContact CE1-CD 4.13Å; F423-K427 HydrophobicContact CE1-CG 4.36Å; F423-K427 PolarHBondContact O-N 3.21Å; F423-K427 VanDerWaalsContact O-N 3.1Å; F423-V432 HydrophobicContact CE2-CG2 4.29Å; F423-V432 HydrophobicContact CZ-CG1 4.11Å; F423-V432 HydrophobicContact CZ-CG2 4.42Å
424	K	95.4	Very high	95.1	Very high	137 Å²	137	42.8 Å²	42.8	60%	0.596	23%	0.233	S	C	*	.	H	α-helix	trans	-65.4	-43.4	173.5	-167.8	-166.7	180	-139.6	0	110.8	G421 L422 L426 K427 E428	G421-K424 VanDerWaalsContact O-CB 3.27Å; G421-K424 WeakPolarHBondContact O-CB 3.3Å; G421-K424 PolarHBondContact O-N 3.02Å; L422-K424 PolarHBondContact O-N 3.32Å; K424-L426 VanDerWaalsContact C-N 3.32Å; K424-L426 PolarHBondContact O-N 3.1Å; K424-K427 WeakPolarHBondContact O-CB 3.44Å; K424-K427 PolarHBondContact O-N 3.44Å; K424-K427 VanDerWaalsContact O-N 3.17Å; K424-E428 WeakPolarHBondContact CE-OE1 3.2Å; K424-E428 IonicContact NZ-OE1 2.7Å; K424-E428 PolarHBondContact NZ-OE1 3.37Å; K424-E428 WeakPolarHBondContact O-CG 3.21Å; K424-E428 PolarHBondContact O-N 3.4Å
425	Q	93.5	Very high	95	Very high	105 Å²	105	43.5 Å²	43.5	49%	0.491	24%	0.239	S	C	.	.	H	α-helix	trans	-64	-37.4	176.5	-60.6	179.5	10	0	0	111.9	G421 L422 K427 E428 A429	G421-Q425 PolarHBondContact O-N 3.01Å; L422-Q425 HydrophobicContact CD1-CB 4.46Å; L422-Q425 WeakPolarHBondContact O-CB 3.25Å; L422-Q425 PolarHBondContact O-N 3.35Å; L422-Q425 VanDerWaalsContact O-N 3.11Å; Q425-K427 VanDerWaalsContact C-N 3.32Å; Q425-K427 PolarHBondContact O-N 2.88Å; Q425-E428 PolarHBondContact O-N 3.42Å; Q425-A429 VanDerWaalsContact O-CB 3.31Å; Q425-A429 WeakPolarHBondContact O-CB 3.42Å; Q425-A429 PolarHBondContact O-N 2.81Å
426	L	96.6	Very high	95	Very high	0 Å²	0	45 Å²	45	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-61.9	-40.5	173.7	-66.3	171.1	0	0	0	111.7	F367 R408 T412 L422 F423 K424 A429 G430 V431 V432	F367-L426 HydrophobicContact CB-CD1 4.28Å; F367-L426 HydrophobicContact CD1-CD1 3.77Å; F367-L426 HydrophobicContact CD1-CD2 4.36Å; F367-L426 HydrophobicContact CD2-CD2 4.47Å; F367-L426 HydrophobicContact CE1-CD1 4.2Å; F367-L426 HydrophobicContact CE1-CD2 4.08Å; F367-L426 HydrophobicContact CE2-CD2 4.23Å; F367-L426 HydrophobicContact CG-CD1 4Å; F367-L426 HydrophobicContact CZ-CD2 4.02Å; R408-L426 HydrophobicContact CG-CD2 4.23Å; T412-L426 HydrophobicContact CG2-CD1 3.76Å; L422-L426 WeakPolarHBondContact O-CG 3.47Å; L422-L426 PolarHBondContact O-N 3.16Å; F423-L426 HydrophobicContact CD2-CD1 4.27Å; F423-L426 PolarHBondContact O-N 3.32Å; K424-L426 VanDerWaalsContact C-N 3.32Å; K424-L426 PolarHBondContact O-N 3.1Å; L426-A429 PolarHBondContact O-N 2.87Å; L426-G430 PolarHBondContact O-N 3.24Å; L426-V431 HydrophobicContact CB-CG2 4.1Å; L426-V431 HydrophobicContact CD2-CG2 3.82Å; L426-V431 WeakPolarHBondContact O-CG2 3.36Å; L426-V431 PolarHBondContact O-N 3.39Å; L426-V432 HydrophobicContact CB-CG2 3.65Å
427	K	96.1	Very high	95	Very high	88 Å²	88	45 Å²	45	38%	0.383	25%	0.246	S	C	.	.	H	α-helix	trans	-64.1	-47.2	173.8	-75.2	-174.9	166.9	176.2	0	112	S365 F423 K424 Q425 A429 G430 V432	S365-K427 VanDerWaalsContact OG-CE 3.31Å; S365-K427 WeakPolarHBondContact OG-CE 3.12Å; S365-K427 PolarHBondContact OG-NZ 3.44Å; F423-K427 HydrophobicContact CD1-CD 4.38Å; F423-K427 HydrophobicContact CE1-CD 4.13Å; F423-K427 HydrophobicContact CE1-CG 4.36Å; F423-K427 PolarHBondContact O-N 3.21Å; F423-K427 VanDerWaalsContact O-N 3.1Å; K424-K427 WeakPolarHBondContact O-CB 3.44Å; K424-K427 PolarHBondContact O-N 3.44Å; K424-K427 VanDerWaalsContact O-N 3.17Å; Q425-K427 VanDerWaalsContact C-N 3.32Å; Q425-K427 PolarHBondContact O-N 2.88Å; K427-A429 PolarHBondContact O-N 2.95Å; K427-G430 PolarHBondContact O-N 2.89Å; K427-V432 HydrophobicContact CB-CG2 4.47Å; K427-V432 HydrophobicContact CG-CB 4.01Å; K427-V432 HydrophobicContact CG-CG1 4.11Å; K427-V432 HydrophobicContact CG-CG2 3.79Å
428	E	94.5	Very high	95	Very high	128 Å²	128	48.3 Å²	48.3	60%	0.598	26%	0.26	S	S	*	.	H	α-helix	trans	-62.2	-30.7	178.6	-70.9	167.3	179.1	0	0	111.8	K424 Q425 G430	K424-E428 WeakPolarHBondContact CE-OE1 3.2Å; K424-E428 IonicContact NZ-OE1 2.7Å; K424-E428 PolarHBondContact NZ-OE1 3.37Å; K424-E428 WeakPolarHBondContact O-CG 3.21Å; K424-E428 PolarHBondContact O-N 3.4Å; Q425-E428 PolarHBondContact O-N 3.42Å; E428-G430 VanDerWaalsContact C-N 3.29Å; E428-G430 PolarHBondContact O-N 2.89Å
429	A	92.9	Very high	95.1	Very high	50 Å²	50	51.8 Å²	51.8	41%	0.413	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-4.5	174.5	0	0	0	0	0	114.6	Q425 L426 K427 V431	Q425-A429 VanDerWaalsContact O-CB 3.31Å; Q425-A429 WeakPolarHBondContact O-CB 3.42Å; Q425-A429 PolarHBondContact O-N 2.81Å; L426-A429 PolarHBondContact O-N 2.87Å; K427-A429 PolarHBondContact O-N 2.95Å; A429-V431 VanDerWaalsContact C-N 3.3Å; A429-V431 HydrophobicContact CB-CG2 4.43Å; A429-V431 PolarHBondContact O-N 2.96Å
430	G	94.5	Very high	95.5	Very high	63 Å²	63	51.2 Å²	51.2	65%	0.649	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.6	16.9	177.6	0	0	0	0	0	115.5	L426 K427 E428	L426-G430 PolarHBondContact O-N 3.24Å; K427-G430 PolarHBondContact O-N 2.89Å; E428-G430 VanDerWaalsContact C-N 3.29Å; E428-G430 PolarHBondContact O-N 2.89Å
431	V	96	Very high	95.9	Very high	21 Å²	21	47.5 Å²	47.5	13%	0.127	26%	0.256	C	S	.	.			trans	-96.8	-4.8	-178.6	-61	0	0	0	0	113.7	F367 L426 A429	F367-V431 HydrophobicContact CD2-CB 4.31Å; F367-V431 HydrophobicContact CD2-CG2 3.92Å; F367-V431 HydrophobicContact CE2-CB 4.01Å; F367-V431 HydrophobicContact CE2-CG2 3.66Å; L426-V431 HydrophobicContact CB-CG2 4.1Å; L426-V431 HydrophobicContact CD2-CG2 3.82Å; L426-V431 WeakPolarHBondContact O-CG2 3.36Å; L426-V431 PolarHBondContact O-N 3.39Å; A429-V431 VanDerWaalsContact C-N 3.3Å; A429-V431 HydrophobicContact CB-CG2 4.43Å; A429-V431 PolarHBondContact O-N 2.96Å
432	V	98.1	Very high	96.3	Very high	23 Å²	23	46.2 Å²	46.2	14%	0.139	24%	0.241	C	C	.	.			trans	-83.8	127	178.2	172.1	0	0	0	0	109.8	F367 F423 L426 K427	F367-V432 HydrophobicContact CB-CG2 4.48Å; F423-V432 HydrophobicContact CE2-CG2 4.29Å; F423-V432 HydrophobicContact CZ-CG1 4.11Å; F423-V432 HydrophobicContact CZ-CG2 4.42Å; L426-V432 HydrophobicContact CB-CG2 3.65Å; K427-V432 HydrophobicContact CB-CG2 4.47Å; K427-V432 HydrophobicContact CG-CB 4.01Å; K427-V432 HydrophobicContact CG-CG1 4.11Å; K427-V432 HydrophobicContact CG-CG2 3.79Å
433	Q	97.9	Very high	96.5	Very high	32 Å²	32	45.8 Å²	45.8	15%	0.15	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	161.5	175.6	-54.4	-60.2	-26.1	0	0	110.7	L272 A273 N275 S365 Y366	L272-Q433 PolarHBondContact O-NE2 2.94Å; A273-Q433 PolarHBondContact O-NE2 3.43Å; N275-Q433 WeakPolarHBondContact OD1-CB 3.49Å; S365-Q433 CarbonylContact C-O 3.59Å; S365-Q433 WeakPolarHBondContact CA-O 3.47Å; Y366-Q433 HydrophobicContact CD1-CB 4.22Å; Y366-Q433 HydrophobicContact CE1-CB 3.73Å; Y366-Q433 HydrophobicContact CE2-CB 4.14Å; Y366-Q433 PolarHBondContact N-O 2.84Å; Y366-Q433 PolarHBondContact O-N 3.04Å
434	R	97.4	Very high	96.5	Very high	88 Å²	88	45.3 Å²	45.3	33%	0.332	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	133.5	176.5	-65.2	176.1	76.7	-154.8	5.9	109.9	N275 E311 E319 V363 V364	N275-R434 PolarHBondContact ND2-O 2.93Å; E311-R434 IonicContact OE1-CZ 3.43Å; E311-R434 IonicContact OE1-NE 3.5Å; E311-R434 PolarHBondContact OE1-NE 3.04Å; E311-R434 IonicContact OE1-NH2 3.35Å; E311-R434 IonicContact OE2-CZ 2.85Å; E311-R434 IonicContact OE2-NE 2.83Å; E311-R434 PolarHBondContact OE2-NE 3.48Å; E311-R434 IonicContact OE2-NH2 3.33Å; E311-R434 PolarHBondContact OE2-NH2 3.33Å; E319-R434 IonicContact OE1-CZ 2.73Å; E319-R434 IonicContact OE1-NH1 2.67Å; E319-R434 PolarHBondContact OE1-NH1 3.03Å; E319-R434 IonicContact OE1-NH2 3.94Å; E319-R434 IonicContact OE2-CZ 3.62Å; E319-R434 IonicContact OE2-NH1 2.84Å; E319-R434 PolarHBondContact OE2-NH1 3.18Å; E319-R434 VanDerWaalsContact OE2-NH1 3.16Å; E319-R434 IonicContact OE2-NH2 3.19Å; E319-R434 PolarHBondContact OE2-NH2 3.37Å; V363-R434 HydrophobicContact CG1-CB 4.44Å; V364-R434 WeakPolarHBondContact O-CA 3.36Å
435	A	97.1	Very high	96.6	Very high	15 Å²	15	38.9 Å²	38.9	12%	0.124	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	170.6	175.5	0	0	0	0	0	111.2	V364 Y366 N439 V440	V364-A435 PolarHBondContact N-O 3.14Å; V364-A435 PolarHBondContact O-N 3.16Å; Y366-A435 HydrophobicContact CE1-CB 3.91Å; A435-N439 HydrophobicContact CB-CB 3.96Å; A435-V440 HydrophobicContact CB-CG2 4.05Å
436	E	96.9	Very high	96.8	Very high	32 Å²	32	34 Å²	34	15%	0.15	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	151.8	170.1	-65.5	-170.9	-111.4	0	0	111.3	L352 R355 S361 S362 F438 N439 V440	L352-E436 HydrophobicContact CD1-CG 3.71Å; R355-E436 IonicContact CZ-OE1 2.83Å; R355-E436 IonicContact CZ-OE2 3.56Å; R355-E436 IonicContact NE-OE2 2.68Å; R355-E436 IonicContact NH1-OE1 3.6Å; R355-E436 IonicContact NH1-OE2 2.72Å; R355-E436 IonicContact NH2-OE1 3.79Å; R355-E436 PolarHBondContact NH2-OE1 3.31Å; R355-E436 IonicContact NH2-OE2 3.9Å; S361-E436 VanDerWaalsContact CB-OE2 3.28Å; S361-E436 WeakPolarHBondContact CB-OE2 3.17Å; S361-E436 PolarHBondContact OG-OE2 3.24Å; S362-E436 CarbonylContact O-C 3.59Å; S362-E436 WeakPolarHBondContact O-CA 3.21Å; E436-F438 PolarHBondContact O-N 2.84Å; E436-N439 WeakPolarHBondContact O-CA 3.44Å; E436-N439 WeakPolarHBondContact O-CB 3.14Å; E436-N439 PolarHBondContact O-N 3.29Å; E436-V440 PolarHBondContact O-N 2.83Å
437	S	97.5	Very high	96.7	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-54.6	-39.7	-179.4	53.2	0	0	0	0	112.6	D84 L87 R88 S362 N439 V440 A441	D84-S437 WeakPolarHBondContact OD1-CB 3.29Å; D84-S437 PolarHBondContact OD1-OG 2.71Å; L87-S437 WeakPolarHBondContact CD1-O 3.27Å; R88-S437 WeakPolarHBondContact CD-OG 3.31Å; R88-S437 VanDerWaalsContact CG-OG 3.27Å; R88-S437 WeakPolarHBondContact CG-OG 3.34Å; S362-S437 PolarHBondContact N-OG 3.4Å; S362-S437 PolarHBondContact O-N 2.84Å; S437-N439 VanDerWaalsContact C-N 3.32Å; S437-N439 PolarHBondContact O-N 2.82Å; S437-V440 PolarHBondContact O-N 2.83Å; S437-A441 WeakPolarHBondContact O-CB 3.45Å; S437-A441 PolarHBondContact O-N 2.99Å
438	F	96.8	Very high	96.6	Very high	84 Å²	84	29.9 Å²	29.9	37%	0.368	17%	0.169	S	C	.	.	H	α-helix	trans	-61	-39.7	175.4	-178.1	-93.1	0	0	0	112.4	V80 D84 E436 A441 N442	V80-F438 HydrophobicContact CG1-CD2 4Å; V80-F438 HydrophobicContact CG1-CE2 3.53Å; V80-F438 HydrophobicContact CG1-CZ 3.95Å; D84-F438 HydrophobicContact CB-CD2 4.4Å; D84-F438 PolarHBondContact OD1-N 3.36Å; E436-F438 PolarHBondContact O-N 2.84Å; F438-A441 PolarHBondContact O-N 2.89Å; F438-N442 PolarHBondContact O-N 3.13Å; F438-N442 PolarHBondContact O-ND2 3.34Å
439	N	97	Very high	96.5	Very high	75 Å²	75	24.5 Å²	24.5	40%	0.401	14%	0.144	S	C	.	.	H	α-helix	trans	-69	-43	178.4	-59.8	-14.4	0	0	0	110.2	A435 E436 S437 A441 N442	A435-N439 HydrophobicContact CB-CB 3.96Å; E436-N439 WeakPolarHBondContact O-CA 3.44Å; E436-N439 WeakPolarHBondContact O-CB 3.14Å; E436-N439 PolarHBondContact O-N 3.29Å; S437-N439 VanDerWaalsContact C-N 3.32Å; S437-N439 PolarHBondContact O-N 2.82Å; N439-A441 VanDerWaalsContact C-N 3.33Å; N439-A441 PolarHBondContact O-N 2.82Å; N439-N442 WeakPolarHBondContact O-CB 3.28Å; N439-N442 PolarHBondContact O-N 3.47Å; N439-N442 VanDerWaalsContact O-N 3.11Å
440	V	98.2	Very high	96.2	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-67.5	-33.2	177.6	-178.2	0	0	0	0	112.3	L87 L306 L308 V364 Y366 A435 E436 S437 N442 L443 M444	L87-V440 HydrophobicContact CD1-CB 4.46Å; L306-V440 HydrophobicContact CD2-CG1 4.19Å; L308-V440 HydrophobicContact CB-CG1 4.31Å; L308-V440 HydrophobicContact CD2-CG1 4.02Å; V364-V440 HydrophobicContact CB-CB 4.27Å; V364-V440 HydrophobicContact CB-CG2 3.74Å; V364-V440 HydrophobicContact CG1-CB 4.17Å; V364-V440 HydrophobicContact CG1-CG1 3.96Å; V364-V440 HydrophobicContact CG1-CG2 3.89Å; Y366-V440 HydrophobicContact CD1-CG2 3.55Å; Y366-V440 HydrophobicContact CE1-CG2 3.94Å; Y366-V440 HydrophobicContact CG-CG1 4.49Å; Y366-V440 HydrophobicContact CG-CG2 4.2Å; A435-V440 HydrophobicContact CB-CG2 4.05Å; E436-V440 PolarHBondContact O-N 2.83Å; S437-V440 PolarHBondContact O-N 2.83Å; V440-N442 PolarHBondContact O-N 3.04Å; V440-L443 WeakPolarHBondContact O-CB 3.42Å; V440-L443 PolarHBondContact O-N 2.98Å; V440-M444 PolarHBondContact O-N 2.79Å
441	A	97.6	Very high	96.1	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-57.8	-33.7	171.7	0	0	0	0	0	112	V80 L83 D84 L87 S437 F438 N439 L443	V80-A441 HydrophobicContact CG1-CB 4.33Å; L83-A441 HydrophobicContact CB-CB 4.08Å; D84-A441 HydrophobicContact CB-CB 4.36Å; L87-A441 HydrophobicContact CD1-CB 4.47Å; S437-A441 WeakPolarHBondContact O-CB 3.45Å; S437-A441 PolarHBondContact O-N 2.99Å; F438-A441 PolarHBondContact O-N 2.89Å; N439-A441 VanDerWaalsContact C-N 3.33Å; N439-A441 PolarHBondContact O-N 2.82Å; A441-L443 VanDerWaalsContact C-N 3.26Å; A441-L443 PolarHBondContact O-N 3.32Å
442	N	97.5	Very high	95.9	Very high	7 Å²	7	23.9 Å²	23.9	4%	0.037	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-7	175.1	-75.7	-77.5	0	0	0	114.6	V80 A279 F280 L281 M284 F438 N439 V440	V80-N442 WeakPolarHBondContact CG1-ND2 3.24Å; A279-N442 WeakPolarHBondContact O-CB 3.43Å; F280-N442 CarbonylContact C-O 3.43Å; L281-N442 WeakPolarHBondContact CA-O 3.49Å; L281-N442 PolarHBondContact N-O 2.73Å; L281-N442 PolarHBondContact N-OD1 3.34Å; M284-N442 VanDerWaalsContact CG-O 3.28Å; M284-N442 WeakPolarHBondContact CG-O 3.43Å; F438-N442 PolarHBondContact O-N 3.13Å; F438-N442 PolarHBondContact O-ND2 3.34Å; N439-N442 WeakPolarHBondContact O-CB 3.28Å; N439-N442 PolarHBondContact O-N 3.47Å; N439-N442 VanDerWaalsContact O-N 3.11Å; V440-N442 PolarHBondContact O-N 3.04Å
443	L	97.7	Very high	95.6	Very high	3 Å²	3	23.1 Å²	23.1	2%	0.016	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.5	-3.2	178.3	-60.8	176.7	0	0	0	113.1	P276 A279 M284 L306 Y366 F397 V440 A441	P276-L443 HydrophobicContact CG-CD2 4Å; A279-L443 HydrophobicContact CB-CD2 3.56Å; M284-L443 HydrophobicContact SD-CD2 4.27Å; L306-L443 HydrophobicContact CD2-CB 4.46Å; Y366-L443 HydrophobicContact CD2-CD1 4.3Å; Y366-L443 HydrophobicContact CE1-CD1 4.09Å; Y366-L443 HydrophobicContact CE2-CD1 3.51Å; Y366-L443 VanDerWaalsContact OH-CD1 3.24Å; Y366-L443 WeakPolarHBondContact OH-CD1 3.43Å; F397-L443 HydrophobicContact CE1-CD2 3.7Å; F397-L443 HydrophobicContact CZ-CD2 4.12Å; V440-L443 WeakPolarHBondContact O-CB 3.42Å; V440-L443 PolarHBondContact O-N 2.98Å; A441-L443 VanDerWaalsContact C-N 3.26Å; A441-L443 PolarHBondContact O-N 3.32Å
444	M	97.8	Very high	95.4	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.128	C	C	.	.			trans	-67.2	128.6	-177	-61.8	-171.3	174.2	0	0	110.9	L83 M86 L87 I99 L281 L306 L308 V440 L446	L83-M444 HydrophobicContact CB-SD 4.34Å; L83-M444 HydrophobicContact CD1-SD 4.08Å; L83-M444 HydrophobicContact CD2-SD 4.04Å; L83-M444 HydrophobicContact CG-SD 4.39Å; M86-M444 HydrophobicContact CE-CE 4.43Å; L87-M444 HydrophobicContact CD1-CE 3.76Å; L87-M444 HydrophobicContact CD2-CE 3.67Å; L87-M444 HydrophobicContact CG-CE 3.83Å; I99-M444 HydrophobicContact CD1-CB 4.02Å; I99-M444 HydrophobicContact CD1-CE 4.2Å; I99-M444 HydrophobicContact CD1-CG 3.73Å; I99-M444 HydrophobicContact CD1-SD 3.7Å; L281-M444 HydrophobicContact CD1-CB 4.25Å; L281-M444 WeakPolarHBondContact CD1-O 3.34Å; L306-M444 HydrophobicContact CD2-CB 4.4Å; L306-M444 HydrophobicContact CD2-CG 3.99Å; L308-M444 HydrophobicContact CD2-CE 4.11Å; V440-M444 PolarHBondContact O-N 2.79Å; M444-L446 HydrophobicContact CB-CD1 3.63Å; M444-L446 HydrophobicContact CB-CG 3.72Å; M444-L446 HydrophobicContact CG-CD1 4.39Å; M444-L446 PolarHBondContact O-N 2.85Å; M444-L446 HydrophobicContact SD-CD1 3.83Å
445	P	97	Very high	95.2	Very high	2 Å²	2	20.5 Å²	20.5	1%	0.013	11%	0.113	C	C	.	.			trans	-81.2	68.3	-178.9	35.4	-37.4	0	0	0	110.8	I99 L101 L304 L306	I99-P445 HydrophobicContact CB-CG 4.25Å; I99-P445 HydrophobicContact CG2-CG 3.9Å; L101-P445 HydrophobicContact CB-CB 3.78Å; L101-P445 HydrophobicContact CB-CG 4.32Å; L304-P445 HydrophobicContact CD2-CB 3.6Å; L304-P445 HydrophobicContact CG-CB 3.86Å; L304-P445 HydrophobicContact CG-CG 4.44Å; L306-P445 HydrophobicContact CB-CG 4.32Å
446	L	96.8	Very high	95	Very high	2 Å²	2	19.9 Å²	19.9	1%	0.01	11%	0.109	C	C	.	.			trans	-107.9	-18.1	-174.5	-59.6	173.8	0	0	0	113.2	P71 I72 L83 I99 V161 F163 I196 M444	P71-L446 WeakPolarHBondContact CA-O 3.28Å; I72-L446 HydrophobicContact CD1-CB 4.27Å; I72-L446 HydrophobicContact CG1-CB 4.16Å; I72-L446 WeakPolarHBondContact CG1-O 3.24Å; I72-L446 PolarHBondContact N-O 3.2Å; L83-L446 HydrophobicContact CD1-CD1 3.72Å; L83-L446 HydrophobicContact CD2-CD1 4.12Å; I99-L446 HydrophobicContact CG2-CD2 3.75Å; V161-L446 HydrophobicContact CG1-CD2 3.78Å; F163-L446 HydrophobicContact CE2-CD2 3.8Å; F163-L446 HydrophobicContact CZ-CD2 3.48Å; F163-L446 VanDerWaalsContact CZ-CD2 3.48Å; I196-L446 HydrophobicContact CD1-CD1 3.85Å; M444-L446 HydrophobicContact CB-CD1 3.63Å; M444-L446 HydrophobicContact CB-CG 3.72Å; M444-L446 HydrophobicContact CG-CD1 4.39Å; M444-L446 PolarHBondContact O-N 2.85Å; M444-L446 HydrophobicContact SD-CD1 3.83Å
447	V	95.2	Very high	94.9	Very high	2 Å²	2	18.6 Å²	18.6	1%	0.012	10%	0.103	C	C	.	.	B	Isolated β-bridge	trans	-87.2	122.3	-177.1	-176.9	0	0	0	0	109.8	I72 L281 A285 Y288	I72-V447 HydrophobicContact CD1-CG2 4.17Å; I72-V447 HydrophobicContact CG1-CG2 4.06Å; I72-V447 WeakPolarHBondContact O-CA 3.27Å; L281-V447 HydrophobicContact CD1-CG2 4.42Å; L281-V447 HydrophobicContact CG-CG2 4.26Å; L281-V447 VanDerWaalsContact O-CG2 3.29Å; L281-V447 WeakPolarHBondContact O-CG2 3.32Å; A285-V447 HydrophobicContact CB-CB 4.04Å; A285-V447 HydrophobicContact CB-CG1 3.77Å; Y288-V447 PolarHBondContact OH-O 2.87Å
448	A	94.3	Very high	94.8	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.103	C	C	.	.			trans	-155.9	166.4	168.7	0	0	0	0	0	109.6	P71 I72 N73 L101 Y159 Y288	P71-A448 HydrophobicContact CB-CB 3.65Å; P71-A448 HydrophobicContact CG-CB 4.16Å; I72-A448 CarbonylContact C-O 3.52Å; I72-A448 PolarHBondContact O-N 2.72Å; I72-A448 VanDerWaalsContact O-N 3.11Å; I72-A448 VanDerWaalsContact O-O 3.14Å; N73-A448 PolarHBondContact OD1-O 2.85Å; L101-A448 HydrophobicContact CD1-CB 4.18Å; Y159-A448 HydrophobicContact CD2-CB 4.23Å; Y159-A448 HydrophobicContact CG-CB 3.99Å; Y288-A448 WeakPolarHBondContact OH-CA 3.25Å; Y288-A448 WeakPolarHBondContact OH-CB 3.44Å
449	D	92.3	Very high	94.8	Very high	15 Å²	15	14.7 Å²	14.7	8%	0.08	9%	0.086	C	C	.	.			trans	-83.6	144.2	-175.2	-60.7	0.3	0	0	0	111.5	T461 R463 Q465	D449-T461 HydrophobicContact CB-CG2 3.65Å; D449-T461 VanDerWaalsContact OD2-CB 3.23Å; D449-T461 WeakPolarHBondContact OD2-CB 3.48Å; D449-T461 PolarHBondContact OD2-OG1 2.94Å; D449-R463 WeakPolarHBondContact OD1-CD 3.34Å; D449-R463 IonicContact OD1-CZ 3.57Å; D449-R463 IonicContact OD1-NE 2.59Å; D449-R463 IonicContact OD1-NH1 3.76Å; D449-R463 PolarHBondContact OD1-NH1 3.23Å; D449-R463 WeakPolarHBondContact OD2-CB 3.5Å; D449-R463 WeakPolarHBondContact OD2-CG 3.5Å; D449-Q465 HydrophobicContact CB-CB 4.1Å; D449-Q465 VanDerWaalsContact O-CG 3.3Å; D449-Q465 WeakPolarHBondContact O-CG 3.42Å; D449-Q465 PolarHBondContact O-NE2 2.89Å
450	N	87.3	Confident	94.8	Very high	54 Å²	54	11.2 Å²	11.2	29%	0.289	7%	0.067	S	C	.	.			trans	-75.7	139.5	-179.5	-171.2	-44.5	0	0	0	111.4	N73 L452	N73-N450 WeakPolarHBondContact ND2-CB 3.46Å; N73-N450 VanDerWaalsContact OD1-CB 3.3Å; N73-N450 WeakPolarHBondContact OD1-CB 3.34Å; N73-N450 PolarHBondContact OD1-N 3.49Å; N73-N450 VanDerWaalsContact OD1-N 3.14Å; N450-L452 PolarHBondContact O-N 2.8Å; N450-L452 VanDerWaalsContact O-N 3.12Å; N450-L452 WeakPolarHBondContact OD1-CA 3.42Å; N450-L452 PolarHBondContact OD1-N 3.02Å
451	P	91.5	Very high	94.7	Very high	45 Å²	45	11.2 Å²	11.2	29%	0.292	7%	0.067	S	C	.	.			trans	-65.5	-5.1	172.9	28.8	-37.2	0	0	0	115.1	T453 A467 F468	P451-T453 PolarHBondContact O-N 3.03Å; P451-A467 VanDerWaalsContact O-CA 3.22Å; P451-A467 WeakPolarHBondContact O-CA 3.45Å; P451-A467 WeakPolarHBondContact O-CB 3.32Å; P451-F468 PolarHBondContact O-N 3.25Å; P451-F468 VanDerWaalsContact O-N 3.11Å
452	L	91.6	Very high	94.5	Very high	23 Å²	23	12 Å²	12	12%	0.12	7%	0.07	C	C	.	.	B	Isolated β-bridge	trans	62.1	-92.1	-174.7	-57.1	176.9	0	0	0	112.5	N450 A467 F468 I469 M476 L802 H811	N450-L452 PolarHBondContact O-N 2.8Å; N450-L452 VanDerWaalsContact O-N 3.12Å; N450-L452 WeakPolarHBondContact OD1-CA 3.42Å; N450-L452 PolarHBondContact OD1-N 3.02Å; L452-A467 HydrophobicContact CD1-CB 4.47Å; L452-A467 HydrophobicContact CG-CB 4.42Å; L452-F468 WeakPolarHBondContact CB-O 3.35Å; L452-I469 HydrophobicContact CD1-CG1 4.05Å; L452-M476 HydrophobicContact CD2-CE 3.84Å; L452-L802 HydrophobicContact CD1-CD2 3.58Å; L452-H811 WeakPolarHBondContact CD1-CE1 3.23Å
453	T	93.2	Very high	94.3	Very high	7 Å²	7	12.1 Å²	12.1	4%	0.043	7%	0.07	C	C	.	.	S	Bend	trans	-112.2	157.2	-175.8	69.2	0	0	0	0	111.4	P451 A455 F468 F473 M476	P451-T453 PolarHBondContact O-N 3.03Å; T453-A455 PolarHBondContact O-N 3.22Å; T453-A455 PolarHBondContact OG1-O 3.24Å; T453-F468 PolarHBondContact N-O 3.41Å; T453-F468 WeakPolarHBondContact OG1-CB 3.27Å; T453-F468 PolarHBondContact OG1-O 2.77Å; T453-F473 HydrophobicContact CG2-CB 3.86Å; T453-F473 HydrophobicContact CG2-CD1 3.51Å; T453-F473 HydrophobicContact CG2-CE1 4.25Å; T453-F473 HydrophobicContact CG2-CG 3.86Å; T453-M476 HydrophobicContact CG2-CG 4.11Å
454	P	92.4	Very high	94.2	Very high	61 Å²	61	12.1 Å²	12.1	40%	0.396	7%	0.07	S	C	.	.	S	Bend	trans	-69.8	-18.6	179.8	-19.9	32.8	0	0	0	114.6	Y113 F473	Y113-P454 HydrophobicContact CE1-CB 3.92Å; P454-F473 HydrophobicContact CG-CE2 4.06Å; P454-F473 HydrophobicContact CG-CZ 4.1Å
455	A	93.7	Very high	94.2	Very high	3 Å²	3	12.2 Å²	12.2	3%	0.025	7%	0.071	C	C	.	.	S	Bend	trans	-163.3	161	-176.4	0	0	0	0	0	111.6	G114 R116 E117 T453 D470	G114-A455 VanDerWaalsContact O-CA 3.3Å; G114-A455 WeakPolarHBondContact O-CA 3.34Å; G114-A455 VanDerWaalsContact O-CB 3.27Å; G114-A455 WeakPolarHBondContact O-CB 3.45Å; R116-A455 VanDerWaalsContact CZ-CB 3.48Å; R116-A455 VanDerWaalsContact NH1-CB 3.3Å; E117-A455 HydrophobicContact CG-CB 4.43Å; T453-A455 PolarHBondContact O-N 3.22Å; T453-A455 PolarHBondContact OG1-O 3.24Å; A455-D470 WeakPolarHBondContact O-CB 3.43Å
456	G	93.1	Very high	94.2	Very high	3 Å²	3	12.3 Å²	12.3	3%	0.031	7%	0.071	C	C	.	.	S	Bend	trans	137.7	-146.4	179.9	0	0	0	0	0	111.4	G114 L458	G114-G456 PolarHBondContact O-N 2.73Å; G456-L458 PolarHBondContact O-N 3.33Å
457	L	93.9	Very high	94.1	Very high	5 Å²	5	12.2 Å²	12.2	3%	0.026	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	116.6	174.9	179.1	62.1	0	0	0	110.1	F118 A459 F468 I469 P499 L500 L813	F118-L457 HydrophobicContact CD2-CD1 4.4Å; F118-L457 HydrophobicContact CE2-CD1 3.77Å; F118-L457 HydrophobicContact CZ-CD1 4.02Å; L457-A459 PolarHBondContact O-N 3.22Å; L457-F468 CarbonylContact O-C 3.52Å; L457-F468 VanDerWaalsContact O-CA 3.28Å; L457-F468 WeakPolarHBondContact O-CA 3.45Å; L457-I469 HydrophobicContact CB-CB 4.38Å; L457-I469 PolarHBondContact N-O 3.04Å; L457-I469 PolarHBondContact O-N 2.87Å; L457-P499 HydrophobicContact CD1-CB 3.52Å; L457-P499 HydrophobicContact CD1-CG 4.37Å; L457-P499 HydrophobicContact CD2-CB 4.19Å; L457-P499 HydrophobicContact CG-CB 4.49Å; L457-L500 HydrophobicContact CB-CD2 4.02Å; L457-L500 HydrophobicContact CD2-CD2 3.85Å; L457-L500 HydrophobicContact CD2-CG 4.05Å; L457-L813 HydrophobicContact CD1-CD1 3.88Å; L457-L813 HydrophobicContact CD2-CD1 4.08Å; L457-L813 HydrophobicContact CG-CD1 4.03Å
458	L	96	Very high	94.2	Very high	1 Å²	1	12.5 Å²	12.5	1%	0.005	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	111.2	178.1	-161.8	168.8	0	0	0	109.7	L115 Y136 L156 G456 P460 L466 F468	L115-L458 HydrophobicContact CD2-CB 4.15Å; L115-L458 HydrophobicContact CD2-CD1 4.3Å; Y136-L458 HydrophobicContact CD1-CD1 3.72Å; Y136-L458 HydrophobicContact CD1-CD2 4Å; Y136-L458 HydrophobicContact CD1-CG 4.39Å; Y136-L458 HydrophobicContact CD2-CD1 3.88Å; Y136-L458 HydrophobicContact CE1-CB 4.36Å; Y136-L458 HydrophobicContact CE1-CD1 4.04Å; Y136-L458 HydrophobicContact CE1-CD2 3.9Å; Y136-L458 HydrophobicContact CE1-CG 4.32Å; Y136-L458 HydrophobicContact CE2-CB 4.47Å; Y136-L458 HydrophobicContact CE2-CD1 4.17Å; Y136-L458 HydrophobicContact CG-CD1 3.64Å; L156-L458 HydrophobicContact CD2-CD2 4.27Å; G456-L458 PolarHBondContact O-N 3.33Å; L458-P460 HydrophobicContact CD2-CG 3.56Å; L458-L466 HydrophobicContact CD1-CD1 3.69Å; L458-L466 HydrophobicContact CD2-CD1 3.83Å; L458-L466 HydrophobicContact CG-CD1 3.69Å; L458-F468 HydrophobicContact CB-CD1 3.87Å; L458-F468 HydrophobicContact CB-CE1 3.66Å; L458-F468 HydrophobicContact CD1-CE1 3.83Å; L458-F468 HydrophobicContact CD1-CZ 4.09Å; L458-F468 HydrophobicContact CG-CD1 4.14Å; L458-F468 HydrophobicContact CG-CE1 3.62Å; L458-F468 HydrophobicContact CG-CZ 4.08Å
459	A	96.3	Very high	94.1	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.073	C	C	.	.			trans	-135	90.1	-179.9	0	0	0	0	0	109.1	L457 A467 I469 F800 H811 R812	L457-A459 PolarHBondContact O-N 3.22Å; A459-A467 CarbonylContact C-O 3.55Å; A459-A467 PolarHBondContact N-O 3.28Å; A459-I469 HydrophobicContact CB-CD1 3.69Å; A459-I469 HydrophobicContact CB-CG1 4.19Å; A459-F800 HydrophobicContact CB-CE1 4.5Å; A459-F800 HydrophobicContact CB-CZ 3.96Å; A459-H811 HydrophobicContact CB-CB 4.49Å; A459-H811 PolarHBondContact O-ND1 2.96Å; A459-R812 CarbonylContact C-O 3.55Å; A459-R812 WeakPolarHBondContact CA-O 3.49Å
460	P	96.9	Very high	94.2	Very high	2 Å²	2	13 Å²	13	1%	0.013	7%	0.074	C	C	.	.			trans	-58.2	147.4	-176.6	-23.7	36.7	0	0	0	111.2	F144 L156 L458 Q465 H811 R812 F814	F144-P460 HydrophobicContact CE2-CG 4.2Å; F144-P460 HydrophobicContact CZ-CG 4.15Å; L156-P460 HydrophobicContact CD2-CB 3.77Å; L156-P460 HydrophobicContact CD2-CG 3.26Å; L458-P460 HydrophobicContact CD2-CG 3.56Å; P460-Q465 WeakPolarHBondContact CA-O 3.43Å; P460-H811 CarbonylContact O-C 3.55Å; P460-H811 WeakPolarHBondContact O-CA 3.37Å; P460-R812 WeakPolarHBondContact CD-O 3.5Å; P460-R812 PolarHBondContact O-N 2.96Å; P460-F814 HydrophobicContact CG-CD2 4.3Å
461	T	96	Very high	94.5	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	6%	0.062	C	C	.	.	B	Isolated β-bridge	trans	-70.3	167.1	175	66.8	0	0	0	0	110.6	D449 R463 N464 Q465 A467 W810	D449-T461 HydrophobicContact CB-CG2 3.65Å; D449-T461 VanDerWaalsContact OD2-CB 3.23Å; D449-T461 WeakPolarHBondContact OD2-CB 3.48Å; D449-T461 PolarHBondContact OD2-OG1 2.94Å; T461-R463 PolarHBondContact O-N 3.4Å; T461-R463 PolarHBondContact OG1-N 3.49Å; T461-N464 PolarHBondContact O-N 3.49Å; T461-Q465 HydrophobicContact CG2-CB 3.91Å; T461-Q465 HydrophobicContact CG2-CG 4.45Å; T461-Q465 PolarHBondContact N-O 2.96Å; T461-Q465 WeakPolarHBondContact OG1-CB 3.39Å; T461-Q465 PolarHBondContact OG1-N 3.13Å; T461-A467 HydrophobicContact CG2-CB 3.98Å; T461-W810 CarbonylContact C-O 3.29Å; T461-W810 WeakPolarHBondContact CA-O 3.47Å
462	Y	94.1	Very high	94.6	Very high	17 Å²	17	9.2 Å²	9.2	7%	0.067	5%	0.051	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-27.2	174.1	-99.2	-119.9	0	0	0	113	N464 M785 F789 S799 W810 H811 R812	Y462-N464 VanDerWaalsContact C-N 3.28Å; Y462-N464 PolarHBondContact O-N 3.47Å; Y462-M785 HydrophobicContact CD1-CE 3.58Å; Y462-M785 HydrophobicContact CE1-CE 3.69Å; Y462-M785 HydrophobicContact CG-CE 4.15Å; Y462-F789 HydrophobicContact CE2-CE1 4.28Å; Y462-F789 AromaticContact CZ-CE1 3.83Å; Y462-F789 VanDerWaalsContact OH-CD1 3.28Å; Y462-F789 WeakPolarHBondContact OH-CD1 3.5Å; Y462-F789 VanDerWaalsContact OH-CE1 3.24Å; Y462-F789 WeakPolarHBondContact OH-CE1 3.21Å; Y462-S799 WeakPolarHBondContact OH-CB 3.4Å; Y462-S799 PolarHBondContact OH-OG 3.4Å; Y462-W810 HydrophobicContact CD2-CB 3.67Å; Y462-W810 HydrophobicContact CE2-CB 4.43Å; Y462-W810 HydrophobicContact CG-CB 3.84Å; Y462-W810 PolarHBondContact N-O 3.15Å; Y462-H811 WeakPolarHBondContact CE2-O 3.3Å; Y462-R812 HydrophobicContact CD2-CG 3.98Å; Y462-R812 HydrophobicContact CE2-CG 3.72Å; Y462-R812 PolarHBondContact O-NH1 2.99Å; Y462-R812 PolarHBondContact O-NH2 3.44Å
463	R	94	Very high	94.6	Very high	9 Å²	9	11.2 Å²	11.2	3%	0.034	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	21.3	174.7	-59.4	-166.9	174.6	133.2	-6.9	114	Y159 A285 D286 S289 L291 D449 T461 Q465	Y159-R463 HydrophobicContact CE2-CB 4.49Å; Y159-R463 WeakPolarHBondContact CE2-O 3.28Å; Y159-R463 PolarHBondContact OH-O 2.98Å; A285-R463 VanDerWaalsContact CB-NH1 3.33Å; D286-R463 IonicContact OD1-CZ 3.6Å; D286-R463 IonicContact OD1-NE 3.02Å; D286-R463 IonicContact OD1-NH2 3.83Å; D286-R463 PolarHBondContact OD1-NH2 3.1Å; S289-R463 PolarHBondContact O-NE 3.01Å; S289-R463 WeakPolarHBondContact OG-CA 3.38Å; L291-R463 HydrophobicContact CD2-CG 4Å; D449-R463 WeakPolarHBondContact OD1-CD 3.34Å; D449-R463 IonicContact OD1-CZ 3.57Å; D449-R463 IonicContact OD1-NE 2.59Å; D449-R463 IonicContact OD1-NH1 3.76Å; D449-R463 PolarHBondContact OD1-NH1 3.23Å; D449-R463 WeakPolarHBondContact OD2-CB 3.5Å; D449-R463 WeakPolarHBondContact OD2-CG 3.5Å; T461-R463 PolarHBondContact O-N 3.4Å; T461-R463 PolarHBondContact OG1-N 3.49Å; R463-Q465 PolarHBondContact O-N 3.25Å
464	N	95.5	Very high	94.2	Very high	4 Å²	4	19.6 Å²	19.6	2%	0.021	9%	0.089	C	C	.	.			trans	65.4	5.5	178.7	-59.5	-35.6	0	0	0	115.3	P153 T155 R157 T461 Y462 L466	P153-N464 PolarHBondContact O-ND2 2.94Å; T155-N464 HydrophobicContact CG2-CB 4.12Å; T155-N464 PolarHBondContact N-OD1 3.15Å; T155-N464 VanDerWaalsContact O-CB 3.31Å; T155-N464 WeakPolarHBondContact O-CB 3.29Å; T155-N464 PolarHBondContact O-OD1 3.46Å; R157-N464 PolarHBondContact N-O 2.87Å; T461-N464 PolarHBondContact O-N 3.49Å; Y462-N464 VanDerWaalsContact C-N 3.28Å; Y462-N464 PolarHBondContact O-N 3.47Å; N464-L466 PolarHBondContact O-N 3.49Å
465	Q	96.4	Very high	93.8	Very high	2 Å²	2	19.1 Å²	19.1	1%	0.009	10%	0.096	C	C	.	.	B	Isolated β-bridge	trans	-60.9	127.1	172	178.4	74.9	-16.4	0	0	109.4	R157 H158 Y159 D449 P460 T461 R463 A467	R157-Q465 WeakPolarHBondContact O-CA 3.27Å; R157-Q465 PolarHBondContact O-OE1 3.35Å; H158-Q465 PolarHBondContact ND1-NE2 2.77Å; Y159-Q465 HydrophobicContact CD2-CB 4Å; Y159-Q465 HydrophobicContact CE2-CB 4.17Å; D449-Q465 HydrophobicContact CB-CB 4.1Å; D449-Q465 VanDerWaalsContact O-CG 3.3Å; D449-Q465 WeakPolarHBondContact O-CG 3.42Å; D449-Q465 PolarHBondContact O-NE2 2.89Å; P460-Q465 WeakPolarHBondContact CA-O 3.43Å; T461-Q465 HydrophobicContact CG2-CB 3.91Å; T461-Q465 HydrophobicContact CG2-CG 4.45Å; T461-Q465 PolarHBondContact N-O 2.96Å; T461-Q465 WeakPolarHBondContact OG1-CB 3.39Å; T461-Q465 PolarHBondContact OG1-N 3.13Å; R463-Q465 PolarHBondContact O-N 3.25Å; Q465-A467 PolarHBondContact O-N 3.04Å; Q465-A467 VanDerWaalsContact O-N 3.17Å
466	L	96.9	Very high	93.4	Very high	4 Å²	4	20.3 Å²	20.3	2%	0.021	10%	0.102	C	C	.	.			trans	-60.5	115.6	168.1	178.6	66.8	0	0	0	109.4	V107 R110 I111 L156 R157 L458 N464 F468	V107-L466 HydrophobicContact CB-CD2 4.11Å; V107-L466 HydrophobicContact CG1-CD2 4.45Å; R110-L466 HydrophobicContact CB-CD2 3.57Å; I111-L466 HydrophobicContact CG1-CD1 4.17Å; I111-L466 HydrophobicContact CG1-CD2 3.91Å; L156-L466 HydrophobicContact CD1-CD1 4.35Å; L156-L466 HydrophobicContact CD2-CD1 4.21Å; R157-L466 PolarHBondContact O-N 3.48Å; L458-L466 HydrophobicContact CD1-CD1 3.69Å; L458-L466 HydrophobicContact CD2-CD1 3.83Å; L458-L466 HydrophobicContact CG-CD1 3.69Å; N464-L466 PolarHBondContact O-N 3.49Å; L466-F468 HydrophobicContact CD1-CE2 4.07Å; L466-F468 HydrophobicContact CD1-CZ 3.9Å; L466-F468 HydrophobicContact CD2-CE2 3.99Å; L466-F468 HydrophobicContact CD2-CZ 4.21Å; L466-F468 HydrophobicContact CG-CE2 3.83Å; L466-F468 HydrophobicContact CG-CZ 4.14Å
467	A	96.2	Very high	92.9	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.135	C	C	.	.			trans	-135.5	149.8	179.7	0	0	0	0	0	111.2	P451 L452 A459 T461 Q465	P451-A467 VanDerWaalsContact O-CA 3.22Å; P451-A467 WeakPolarHBondContact O-CA 3.45Å; P451-A467 WeakPolarHBondContact O-CB 3.32Å; L452-A467 HydrophobicContact CD1-CB 4.47Å; L452-A467 HydrophobicContact CG-CB 4.42Å; A459-A467 CarbonylContact C-O 3.55Å; A459-A467 PolarHBondContact N-O 3.28Å; T461-A467 HydrophobicContact CG2-CB 3.98Å; Q465-A467 PolarHBondContact O-N 3.04Å; Q465-A467 VanDerWaalsContact O-N 3.17Å
468	F	96	Very high	92.6	Very high	7 Å²	7	26.7 Å²	26.7	3%	0.031	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	143	178.1	-60.6	-88.7	0	0	0	111.2	L115 P451 L452 T453 L457 L458 L466	L115-F468 HydrophobicContact CD2-CE1 4.42Å; P451-F468 PolarHBondContact O-N 3.25Å; P451-F468 VanDerWaalsContact O-N 3.11Å; L452-F468 WeakPolarHBondContact CB-O 3.35Å; T453-F468 PolarHBondContact N-O 3.41Å; T453-F468 WeakPolarHBondContact OG1-CB 3.27Å; T453-F468 PolarHBondContact OG1-O 2.77Å; L457-F468 CarbonylContact O-C 3.52Å; L457-F468 VanDerWaalsContact O-CA 3.28Å; L457-F468 WeakPolarHBondContact O-CA 3.45Å; L458-F468 HydrophobicContact CB-CD1 3.87Å; L458-F468 HydrophobicContact CB-CE1 3.66Å; L458-F468 HydrophobicContact CD1-CE1 3.83Å; L458-F468 HydrophobicContact CD1-CZ 4.09Å; L458-F468 HydrophobicContact CG-CD1 4.14Å; L458-F468 HydrophobicContact CG-CE1 3.62Å; L458-F468 HydrophobicContact CG-CZ 4.08Å; L466-F468 HydrophobicContact CD1-CE2 4.07Å; L466-F468 HydrophobicContact CD1-CZ 3.9Å; L466-F468 HydrophobicContact CD2-CE2 3.99Å; L466-F468 HydrophobicContact CD2-CZ 4.21Å; L466-F468 HydrophobicContact CG-CE2 3.83Å; L466-F468 HydrophobicContact CG-CZ 4.14Å
469	I	93.8	Very high	92.2	Very high	7 Å²	7	30.4 Å²	30.4	4%	0.036	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	115.5	176.2	-59	173.7	0	0	0	108.7	L452 L457 A459 F800 L802	L452-I469 HydrophobicContact CD1-CG1 4.05Å; L457-I469 HydrophobicContact CB-CB 4.38Å; L457-I469 PolarHBondContact N-O 3.04Å; L457-I469 PolarHBondContact O-N 2.87Å; A459-I469 HydrophobicContact CB-CD1 3.69Å; A459-I469 HydrophobicContact CB-CG1 4.19Å; I469-F800 HydrophobicContact CD1-CE2 3.76Å; I469-F800 HydrophobicContact CD1-CZ 3.67Å; I469-L802 HydrophobicContact CD1-CD2 4.07Å; I469-L802 HydrophobicContact CG1-CD2 4.19Å
470	D	93.7	Very high	92	Very high	19 Å²	19	31 Å²	31	10%	0.102	16%	0.161	C	C	.	.			trans	-128	113.6	165.1	174.3	19.8	0	0	0	108.9	A455 F472 F473	A455-D470 WeakPolarHBondContact O-CB 3.43Å; D470-F472 PolarHBondContact O-N 3.2Å; D470-F472 PolarHBondContact OD1-N 2.84Å; D470-F473 HydrophobicContact CB-CB 4.08Å; D470-F473 WeakPolarHBondContact O-CB 3.42Å; D470-F473 PolarHBondContact O-N 3Å; D470-F473 PolarHBondContact OD2-N 3.46Å
471	I	93.9	Very high	91.8	Very high	4 Å²	4	31.2 Å²	31.2	2%	0.021	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-16.3	179.4	59.5	176.4	0	0	0	113.3	Y481 M483 L693 A727 I729 Y756	I471-Y481 WeakPolarHBondContact O-CB 3.42Å; I471-Y481 WeakPolarHBondContact O-CD1 3.3Å; I471-M483 HydrophobicContact CG2-CE 3.33Å; I471-L693 HydrophobicContact CD1-CD1 3.97Å; I471-A727 HydrophobicContact CD1-CB 4.03Å; I471-I729 HydrophobicContact CD1-CD1 4.45Å; I471-Y756 HydrophobicContact CB-CD2 4.4Å; I471-Y756 HydrophobicContact CB-CE2 4.21Å; I471-Y756 HydrophobicContact CG2-CD1 4.18Å; I471-Y756 HydrophobicContact CG2-CD2 4.21Å; I471-Y756 HydrophobicContact CG2-CE1 4.31Å; I471-Y756 HydrophobicContact CG2-CE2 4.36Å; I471-Y756 HydrophobicContact CG2-CG 4.13Å
472	F	93.2	Very high	91.8	Very high	16 Å²	16	31.2 Å²	31.2	7%	0.07	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	-3.6	177.5	-64.1	-77.5	0	0	0	113	D470 Y481 V504 K691 T725 A727	D470-F472 PolarHBondContact O-N 3.2Å; D470-F472 PolarHBondContact OD1-N 2.84Å; F472-Y481 AromaticContact CD1-CD2 3.77Å; F472-Y481 HydrophobicContact CD1-CD2 3.77Å; F472-Y481 HydrophobicContact CD1-CE2 4.26Å; F472-Y481 AromaticContact CD1-CG 3.98Å; F472-Y481 HydrophobicContact CD1-CG 3.98Å; F472-Y481 HydrophobicContact CE1-CD2 4.1Å; F472-Y481 HydrophobicContact CE1-CG 4.41Å; F472-V504 HydrophobicContact CE2-CG2 3.69Å; F472-V504 HydrophobicContact CZ-CG2 4.44Å; F472-K691 HydrophobicContact CD2-CB 4.47Å; F472-K691 HydrophobicContact CD2-CD 3.88Å; F472-K691 HydrophobicContact CD2-CG 4.12Å; F472-K691 HydrophobicContact CE2-CB 4.18Å; F472-K691 HydrophobicContact CE2-CD 4.32Å; F472-K691 HydrophobicContact CE2-CG 4.34Å; F472-K691 HydrophobicContact CG-CD 4.27Å; F472-K691 HydrophobicContact CG-CG 4.21Å; F472-K691 HydrophobicContact CZ-CB 4.25Å; F472-T725 HydrophobicContact CD1-CG2 3.72Å; F472-T725 HydrophobicContact CE1-CG2 4.12Å; F472-T725 WeakPolarHBondContact CE1-O 3.13Å; F472-T725 HydrophobicContact CG-CG2 4.49Å; F472-A727 HydrophobicContact CE1-CB 4.08Å; F472-A727 HydrophobicContact CZ-CB 3.92Å
473	F	91.6	Very high	91.8	Very high	65 Å²	65	30.4 Å²	30.4	29%	0.285	16%	0.158	S	C	.	.			trans	-68.7	134.1	177.2	-177.2	-110.9	0	0	0	111	T453 P454 D470 M476 N478	T453-F473 HydrophobicContact CG2-CB 3.86Å; T453-F473 HydrophobicContact CG2-CD1 3.51Å; T453-F473 HydrophobicContact CG2-CE1 4.25Å; T453-F473 HydrophobicContact CG2-CG 3.86Å; P454-F473 HydrophobicContact CG-CE2 4.06Å; P454-F473 HydrophobicContact CG-CZ 4.1Å; D470-F473 HydrophobicContact CB-CB 4.08Å; D470-F473 WeakPolarHBondContact O-CB 3.42Å; D470-F473 PolarHBondContact O-N 3Å; D470-F473 PolarHBondContact OD2-N 3.46Å; F473-M476 HydrophobicContact CD1-CG 3.81Å; F473-M476 HydrophobicContact CE1-CG 4.23Å; F473-N478 PolarHBondContact O-OD1 3.32Å
474	R	85.3	Confident	91.8	Very high	182 Å²	182	30 Å²	30	69%	0.687	16%	0.157	S	C	*	.	S	Bend	trans	-94	-7.3	-174.5	-64.5	-175	-178.7	-179.7	3.6	114.8	M476 Y481	R474-M476 VanDerWaalsContact C-N 3.34Å; R474-M476 PolarHBondContact O-N 3.03Å; R474-Y481 PolarHBondContact NE-OH 2.66Å
475	G	84.4	Confident	91.8	Very high	52 Å²	52	29.8 Å²	29.8	54%	0.536	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	5.2	-175.1	0	0	0	0	0	115.4
476	M	84.2	Confident	91.6	Very high	28 Å²	28	29.7 Å²	29.7	14%	0.138	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98	11.7	-177.4	-75.1	-72	-62.9	0	0	113.6	L452 T453 F473 R474 N478 V804	L452-M476 HydrophobicContact CD2-CE 3.84Å; T453-M476 HydrophobicContact CG2-CG 4.11Å; F473-M476 HydrophobicContact CD1-CG 3.81Å; F473-M476 HydrophobicContact CE1-CG 4.23Å; R474-M476 VanDerWaalsContact C-N 3.34Å; R474-M476 PolarHBondContact O-N 3.03Å; M476-N478 PolarHBondContact O-N 3.47Å; M476-N478 VanDerWaalsContact O-N 3.13Å; M476-V804 HydrophobicContact CB-CG1 4.32Å; M476-V804 HydrophobicContact CE-CB 4.08Å; M476-V804 HydrophobicContact CE-CG1 4.08Å; M476-V804 HydrophobicContact CE-CG2 4.02Å
477	N	82.9	Confident	91.5	Very high	139 Å²	139	29.5 Å²	29.5	74%	0.743	15%	0.154	S	C	*	.			trans	55.1	24	-174.1	-69.6	-15.2	0	0	0	114.8
478	N	87.5	Confident	91.4	Very high	3 Å²	3	31 Å²	31	2%	0.016	16%	0.164	C	C	.	.			trans	-73.2	138.4	178.6	53.5	-56.1	0	0	0	112.4	F473 M476 N480 Y481 R722 Y756 V804	F473-N478 PolarHBondContact O-OD1 3.32Å; M476-N478 PolarHBondContact O-N 3.47Å; M476-N478 VanDerWaalsContact O-N 3.13Å; N478-N480 PolarHBondContact ND2-O 3.21Å; N478-Y481 WeakPolarHBondContact ND2-CD1 3.43Å; N478-R722 PolarHBondContact O-NH2 2.89Å; N478-Y756 HydrophobicContact CB-CE2 4.16Å; N478-V804 HydrophobicContact CB-CG1 4.4Å
479	T	86.6	Confident	91.1	Very high	79 Å²	79	35.2 Å²	35.2	49%	0.485	19%	0.194	S	C	.	.	S	Bend	trans	-82	-17.3	179.2	61.5	0	0	0	0	113.7	R722 S755 E805	T479-R722 VanDerWaalsContact C-NH1 3.27Å; T479-R722 WeakPolarHBondContact O-CD 3.44Å; T479-R722 PolarHBondContact O-NE 3.36Å; T479-R722 PolarHBondContact O-NH1 3.15Å; T479-S755 PolarHBondContact N-OG 3.34Å; T479-S755 VanDerWaalsContact N-OG 3.15Å; T479-S755 PolarHBondContact OG1-OG 3.44Å; T479-S755 VanDerWaalsContact OG1-OG 3.07Å; T479-E805 WeakPolarHBondContact CB-OE1 3.22Å; T479-E805 WeakPolarHBondContact CG2-OE1 3.44Å; T479-E805 PolarHBondContact N-OE1 3.31Å; T479-E805 PolarHBondContact OG1-OE1 3Å
480	N	92.2	Very high	90.8	Very high	13 Å²	13	37 Å²	37	7%	0.07	22%	0.215	C	C	.	.			trans	-157.4	-172.8	173.6	60.8	70.5	0	0	0	110.6	N478 N482 R722 N753 S755	N478-N480 PolarHBondContact ND2-O 3.21Å; N480-N482 WeakPolarHBondContact OD1-CB 3.23Å; N480-N482 PolarHBondContact OD1-N 2.8Å; N480-N482 PolarHBondContact OD1-ND2 3.49Å; N480-R722 HydrophobicContact CB-CB 4.32Å; N480-N753 PolarHBondContact ND2-O 3.21Å; N480-N753 PolarHBondContact OD1-O 2.89Å; N480-N753 VanDerWaalsContact OD1-O 3.08Å; N480-S755 VanDerWaalsContact CG-OG 3.29Å; N480-S755 PolarHBondContact N-OG 2.89Å; N480-S755 PolarHBondContact ND2-OG 3.35Å; N480-S755 WeakPolarHBondContact O-CB 3.5Å; N480-S755 PolarHBondContact O-OG 3.27Å; N480-S755 PolarHBondContact OD1-N 2.77Å; N480-S755 VanDerWaalsContact OD1-N 3.1Å; N480-S755 PolarHBondContact OD1-OG 3.44Å
481	Y	94.3	Very high	90.8	Very high	5 Å²	5	36.2 Å²	36.2	2%	0.02	21%	0.21	C	C	.	.	S	Bend	trans	-111.9	5.6	-179.6	-49.8	-46.1	0	0	0	112.3	I471 F472 R474 N478 R722 A727	I471-Y481 WeakPolarHBondContact O-CB 3.42Å; I471-Y481 WeakPolarHBondContact O-CD1 3.3Å; F472-Y481 AromaticContact CD1-CD2 3.77Å; F472-Y481 HydrophobicContact CD1-CD2 3.77Å; F472-Y481 HydrophobicContact CD1-CE2 4.26Å; F472-Y481 AromaticContact CD1-CG 3.98Å; F472-Y481 HydrophobicContact CD1-CG 3.98Å; F472-Y481 HydrophobicContact CE1-CD2 4.1Å; F472-Y481 HydrophobicContact CE1-CG 4.41Å; R474-Y481 PolarHBondContact NE-OH 2.66Å; N478-Y481 WeakPolarHBondContact ND2-CD1 3.43Å; Y481-R722 HydrophobicContact CD2-CB 4.44Å; Y481-R722 HydrophobicContact CD2-CG 4.03Å; Y481-R722 HydrophobicContact CE1-CG 4.47Å; Y481-R722 HydrophobicContact CE2-CB 4.43Å; Y481-R722 HydrophobicContact CE2-CG 3.68Å; Y481-R722 WeakPolarHBondContact CE2-O 3.48Å; Y481-A727 WeakPolarHBondContact O-CB 3.34Å
482	N	94.9	Very high	90.7	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	22%	0.217	C	C	.	.			trans	-75.6	151.6	-175.7	-53.3	-40.2	0	0	0	110.9	N480 Y718 Y728 N753 S755 Y756	N480-N482 WeakPolarHBondContact OD1-CB 3.23Å; N480-N482 PolarHBondContact OD1-N 2.8Å; N480-N482 PolarHBondContact OD1-ND2 3.49Å; N482-Y718 HydrophobicContact CB-CD1 3.88Å; N482-Y718 HydrophobicContact CB-CE1 3.92Å; N482-Y718 PolarHBondContact ND2-O 2.71Å; N482-Y728 CarbonylContact C-O 3.31Å; N482-Y728 VanDerWaalsContact CA-O 3.23Å; N482-Y728 WeakPolarHBondContact CA-O 3.23Å; N482-Y728 WeakPolarHBondContact CB-O 3.5Å; N482-Y728 PolarHBondContact OD1-N 3.14Å; N482-N753 PolarHBondContact ND2-O 3.39Å; N482-S755 PolarHBondContact O-N 3.39Å; N482-Y756 PolarHBondContact O-N 3.35Å; N482-Y756 VanDerWaalsContact O-N 3.1Å
483	M	95.1	Very high	90.7	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	136.9	-178.2	-172.4	-172.7	-65.5	0	0	111.8	I471 V485 I497 L500 Y728 I729 T730 Y756 I758	I471-M483 HydrophobicContact CG2-CE 3.33Å; M483-V485 HydrophobicContact CG-CG2 3.84Å; M483-V485 HydrophobicContact SD-CG2 3.55Å; M483-V485 VanDerWaalsContact SD-CG2 3.55Å; M483-I497 HydrophobicContact SD-CD1 4.01Å; M483-L500 HydrophobicContact CE-CD1 3.69Å; M483-L500 HydrophobicContact SD-CD1 4.32Å; M483-Y728 PolarHBondContact N-O 3.11Å; M483-I729 HydrophobicContact CB-CB 4.49Å; M483-I729 HydrophobicContact CB-CD1 4.33Å; M483-I729 HydrophobicContact CB-CG1 4.01Å; M483-I729 HydrophobicContact CB-CG2 4.25Å; M483-I729 CarbonylContact O-C 3.59Å; M483-I729 VanDerWaalsContact O-CA 3.23Å; M483-I729 WeakPolarHBondContact O-CA 3.38Å; M483-I729 HydrophobicContact SD-CD1 4.32Å; M483-I729 HydrophobicContact SD-CG2 4.44Å; M483-T730 PolarHBondContact O-N 2.84Å; M483-Y756 CarbonylContact C-O 3.58Å; M483-Y756 WeakPolarHBondContact CA-O 3.49Å; M483-I758 HydrophobicContact CE-CD1 3.93Å; M483-I758 HydrophobicContact CG-CD1 4.44Å; M483-I758 HydrophobicContact CG-CG1 4.46Å; M483-I758 HydrophobicContact SD-CD1 3.48Å; M483-I758 WeakPolarHBondContact SD-CD1 3.26Å; M483-I758 HydrophobicContact SD-CG1 4.1Å
484	A	93.3	Very high	90.7	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	133.1	164.7	0	0	0	0	0	109.5	T730 F738 W751 Y756 K757 I758	A484-T730 CarbonylContact C-O 3.58Å; A484-T730 WeakPolarHBondContact CA-O 3.2Å; A484-F738 HydrophobicContact CB-CE1 4.09Å; A484-F738 HydrophobicContact CB-CE2 4.36Å; A484-F738 HydrophobicContact CB-CZ 3.95Å; A484-W751 HydrophobicContact CB-CE3 3.67Å; A484-W751 HydrophobicContact CB-CZ3 4.01Å; A484-Y756 PolarHBondContact N-O 2.96Å; A484-K757 HydrophobicContact CB-CG 4.48Å; A484-K757 CarbonylContact O-C 3.5Å; A484-K757 VanDerWaalsContact O-CA 3.31Å; A484-K757 WeakPolarHBondContact O-CA 3.44Å; A484-I758 PolarHBondContact O-N 2.89Å
485	V	95	Very high	91	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	129.1	-177.3	-174.9	0	0	0	0	109.4	M483 K493 I497 I729 T730 I731 T732 F738 I758 L760	M483-V485 HydrophobicContact CG-CG2 3.84Å; M483-V485 HydrophobicContact SD-CG2 3.55Å; M483-V485 VanDerWaalsContact SD-CG2 3.55Å; V485-K493 HydrophobicContact CG1-CB 4.5Å; V485-I497 HydrophobicContact CG2-CD1 4.03Å; V485-I729 HydrophobicContact CG2-CG2 4.01Å; V485-T730 PolarHBondContact N-O 3.29Å; V485-I731 HydrophobicContact CB-CB 4.36Å; V485-I731 HydrophobicContact CB-CG1 4.12Å; V485-I731 HydrophobicContact CB-CG2 4.15Å; V485-I731 HydrophobicContact CG1-CG2 4.21Å; V485-I731 HydrophobicContact CG2-CG1 4.41Å; V485-I731 CarbonylContact O-C 3.53Å; V485-I731 VanDerWaalsContact O-CA 3.27Å; V485-I731 WeakPolarHBondContact O-CA 3.39Å; V485-T732 PolarHBondContact O-N 2.96Å; V485-F738 WeakPolarHBondContact O-CE2 3.4Å; V485-I758 CarbonylContact C-O 3.55Å; V485-I758 WeakPolarHBondContact CA-O 3.38Å; V485-I758 HydrophobicContact CG1-CB 4.34Å; V485-I758 HydrophobicContact CG1-CG2 4.37Å; V485-I758 HydrophobicContact CG2-CB 4.29Å; V485-L760 HydrophobicContact CG1-CD1 3.41Å; V485-L760 VanDerWaalsContact CG1-CD1 3.41Å
486	C	93.5	Very high	91.4	Very high	0 Å²	0	26 Å²	26	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	133.1	179.3	-177.6	0	0	0	0	111.8	T732 I735 F738 I758 I759 L760 Q762	C486-T732 WeakPolarHBondContact CA-O 3.48Å; C486-I735 WeakPolarHBondContact SG-CA 3.36Å; C486-I735 PolarHBondContact SG-N 3.24Å; C486-F738 HydrophobicContact CB-CD2 4.47Å; C486-F738 HydrophobicContact CB-CE2 4.36Å; C486-I758 PolarHBondContact N-O 3.2Å; C486-I759 HydrophobicContact CB-CD1 3.85Å; C486-L760 WeakPolarHBondContact O-CD1 3.45Å; C486-L760 PolarHBondContact O-N 2.81Å; C486-Q762 PolarHBondContact O-NE2 3.29Å; C486-Q762 PolarHBondContact SG-NE2 3.46Å
487	G	94	Very high	91.9	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	17%	0.165	C	C	.	.			trans	-179.4	145.1	176.2	0	0	0	0	0	114.2	K493 T732 Q733 K761	G487-K493 WeakPolarHBondContact O-CD 3.37Å; G487-K493 WeakPolarHBondContact O-CE 3.48Å; G487-K493 PolarHBondContact O-NZ 3.47Å; G487-T732 PolarHBondContact N-O 2.9Å; G487-Q733 CarbonylContact C-O 3.58Å; G487-Q733 VanDerWaalsContact C-O 3.29Å; G487-Q733 WeakPolarHBondContact O-CA 3.48Å; G487-K761 CarbonylContact C-O 3.5Å; G487-K761 WeakPolarHBondContact CA-O 3.38Å
488	T	93.5	Very high	92.4	Very high	33 Å²	33	18.2 Å²	18.2	20%	0.202	13%	0.131	C	C	.	.			trans	-62.5	170.4	177.3	-165.9	0	0	0	0	112.6	G490 A491 K761	T488-G490 PolarHBondContact O-N 3.12Å; T488-A491 HydrophobicContact CG2-CB 4.43Å; T488-A491 WeakPolarHBondContact O-CB 3.14Å; T488-A491 PolarHBondContact O-N 3.37Å; T488-A491 VanDerWaalsContact O-N 3.1Å; T488-K761 HydrophobicContact CG2-CB 4.45Å; T488-K761 HydrophobicContact CG2-CD 4.19Å; T488-K761 HydrophobicContact CG2-CG 3.97Å; T488-K761 WeakPolarHBondContact CG2-O 3.23Å; T488-K761 PolarHBondContact N-O 2.78Å
489	S	90	Very high	92.6	Very high	94 Å²	94	18.2 Å²	18.2	66%	0.657	13%	0.131	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57	138.2	174.9	-173.7	0	0	0	0	111.3	A491	S489-A491 PolarHBondContact O-N 3.11Å
490	G	88.8	Confident	92.9	Very high	46 Å²	46	15.1 Å²	15.1	47%	0.474	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.6	6.3	-175.7	0	0	0	0	0	115.5	T488 G492 A792	T488-G490 PolarHBondContact O-N 3.12Å; G490-G492 PolarHBondContact O-N 3.08Å; G490-A792 PolarHBondContact O-N 2.88Å; G490-A792 VanDerWaalsContact O-N 3.07Å
491	A	92.9	Very high	93.1	Very high	2 Å²	2	14.5 Å²	14.5	2%	0.017	11%	0.108	C	C	.	.	S	Bend	trans	-70.9	-14.9	175.9	0	0	0	0	0	114	T488 S489 L760 K761	T488-A491 HydrophobicContact CG2-CB 4.43Å; T488-A491 WeakPolarHBondContact O-CB 3.14Å; T488-A491 PolarHBondContact O-N 3.37Å; T488-A491 VanDerWaalsContact O-N 3.1Å; S489-A491 PolarHBondContact O-N 3.11Å; A491-L760 HydrophobicContact CB-CB 3.86Å; A491-L760 VanDerWaalsContact O-CD2 3.26Å; A491-L760 WeakPolarHBondContact O-CD2 3.22Å; A491-K761 HydrophobicContact CB-CB 3.82Å
492	G	91.9	Very high	92.9	Very high	15 Å²	15	14.3 Å²	14.3	16%	0.155	11%	0.107	C	C	.	.	S	Bend	trans	96.6	20.9	-179.4	0	0	0	0	0	115.4	G490 G495 L496 S798	G490-G492 PolarHBondContact O-N 3.08Å; G492-G495 PolarHBondContact O-N 3.21Å; G492-L496 WeakPolarHBondContact O-CB 3.32Å; G492-L496 PolarHBondContact O-N 3.3Å; G492-S798 WeakPolarHBondContact CA-OG 3.45Å
493	K	93.4	Very high	92.6	Very high	16 Å²	16	14.9 Å²	14.9	7%	0.07	11%	0.111	C	C	.	.	H	α-helix	trans	-56.9	-59	-179.3	-50.5	-161.1	-64.5	-80.1	0	112.7	V485 G487 G495 L496 I497 E698 I731 L760	V485-K493 HydrophobicContact CG1-CB 4.5Å; G487-K493 WeakPolarHBondContact O-CD 3.37Å; G487-K493 WeakPolarHBondContact O-CE 3.48Å; G487-K493 PolarHBondContact O-NZ 3.47Å; K493-G495 VanDerWaalsContact C-N 3.3Å; K493-G495 PolarHBondContact O-N 3.45Å; K493-L496 WeakPolarHBondContact O-CB 3.42Å; K493-L496 PolarHBondContact O-N 2.87Å; K493-I497 PolarHBondContact O-N 3.11Å; K493-I497 VanDerWaalsContact O-N 3.09Å; K493-E698 VanDerWaalsContact CE-OE1 3.3Å; K493-E698 WeakPolarHBondContact CE-OE1 3.4Å; K493-E698 IonicContact NZ-OE1 2.94Å; K493-E698 PolarHBondContact NZ-OE1 3.18Å; K493-I731 HydrophobicContact CB-CG2 3.83Å; K493-I731 HydrophobicContact CD-CG2 3.4Å; K493-I731 VanDerWaalsContact CD-CG2 3.4Å; K493-I731 HydrophobicContact CG-CG2 4.23Å; K493-L760 HydrophobicContact CG-CD1 4.25Å
494	T	91.6	Very high	92.4	Very high	42 Å²	42	15.1 Å²	15.1	26%	0.258	11%	0.112	S	C	.	.	H	α-helix	trans	-60.2	-41.9	179.7	-43.3	0	0	0	0	111	L496 I497 Q498 Y520	T494-L496 PolarHBondContact O-N 3.43Å; T494-I497 PolarHBondContact O-N 3.11Å; T494-Q498 HydrophobicContact CG2-CG 4.16Å; T494-Q498 WeakPolarHBondContact O-CB 3.44Å; T494-Q498 WeakPolarHBondContact O-CG 3.25Å; T494-Q498 PolarHBondContact O-N 2.82Å; T494-Y520 HydrophobicContact CG2-CD1 4.5Å; T494-Y520 HydrophobicContact CG2-CE1 4.01Å; T494-Y520 HydrophobicContact CG2-CE2 4.1Å
495	G	90.2	Very high	92.4	Very high	28 Å²	28	15.6 Å²	15.6	29%	0.289	12%	0.115	S	C	.	.	H	α-helix	trans	-63.8	-20.8	176.1	0	0	0	0	0	114.5	G492 K493 P499 L813	G492-G495 PolarHBondContact O-N 3.21Å; K493-G495 VanDerWaalsContact C-N 3.3Å; K493-G495 PolarHBondContact O-N 3.45Å; G495-P499 WeakPolarHBondContact O-CD 3.44Å; G495-P499 WeakPolarHBondContact O-CG 3.42Å; G495-L813 WeakPolarHBondContact O-CD2 2.85Å
496	L	93.5	Very high	91.9	Very high	2 Å²	2	17.2 Å²	17.2	1%	0.01	12%	0.124	C	C	.	.	H	α-helix	trans	-87.6	-34.8	173.9	179.8	128.5	0	0	0	112.6	G492 K493 T494 I758 F800 L813	G492-L496 WeakPolarHBondContact O-CB 3.32Å; G492-L496 PolarHBondContact O-N 3.3Å; K493-L496 WeakPolarHBondContact O-CB 3.42Å; K493-L496 PolarHBondContact O-N 2.87Å; T494-L496 PolarHBondContact O-N 3.43Å; L496-I758 HydrophobicContact CD1-CD1 4.38Å; L496-I758 HydrophobicContact CD2-CD1 3.54Å; L496-I758 HydrophobicContact CD2-CG2 4.36Å; L496-F800 HydrophobicContact CD1-CD1 3.75Å; L496-F800 HydrophobicContact CD1-CD2 4.38Å; L496-F800 HydrophobicContact CD1-CE1 3.56Å; L496-F800 HydrophobicContact CD1-CE2 4.18Å; L496-F800 HydrophobicContact CD1-CG 4.16Å; L496-F800 HydrophobicContact CD1-CZ 3.77Å; L496-L813 HydrophobicContact CB-CD2 3.89Å; L496-L813 HydrophobicContact CD1-CD2 4.17Å; L496-L813 HydrophobicContact CG-CD2 4.2Å
497	I	95	Very high	91.5	Very high	0 Å²	0	20 Å²	20	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-83.1	-35.3	-177.8	-64.4	-55.9	0	0	0	113.4	M483 V485 K493 T494 L500 I501 Y520 V695 I729 I731	M483-I497 HydrophobicContact SD-CD1 4.01Å; V485-I497 HydrophobicContact CG2-CD1 4.03Å; K493-I497 PolarHBondContact O-N 3.11Å; K493-I497 VanDerWaalsContact O-N 3.09Å; T494-I497 PolarHBondContact O-N 3.11Å; I497-L500 HydrophobicContact CD1-CD1 3.93Å; I497-L500 WeakPolarHBondContact O-CB 3.26Å; I497-L500 PolarHBondContact O-N 2.9Å; I497-I501 HydrophobicContact CG2-CD1 3.81Å; I497-I501 HydrophobicContact CG2-CG1 4.14Å; I497-I501 PolarHBondContact O-N 3.5Å; I497-Y520 HydrophobicContact CB-CE1 4.42Å; I497-Y520 HydrophobicContact CG2-CE1 4.02Å; I497-V695 HydrophobicContact CG2-CG1 3.88Å; I497-V695 HydrophobicContact CG2-CG2 4.11Å; I497-I729 HydrophobicContact CD1-CD1 3.87Å; I497-I729 HydrophobicContact CD1-CG2 3.84Å; I497-I729 HydrophobicContact CG1-CG2 4.44Å; I497-I731 HydrophobicContact CB-CD1 4.25Å; I497-I731 HydrophobicContact CG1-CD1 3.69Å; I497-I731 HydrophobicContact CG1-CG1 4.34Å; I497-I731 HydrophobicContact CG2-CD1 4.28Å
498	Q	93.6	Very high	91.2	Very high	5 Å²	5	21.8 Å²	21.8	2%	0.023	16%	0.161	C	C	.	.	H	α-helix	trans	-55.9	-46.8	176.7	-75.7	-169.4	39.1	0	0	113.3	T494 L500 I501 R502 G519 Y520 L523 Y823	T494-Q498 HydrophobicContact CG2-CG 4.16Å; T494-Q498 WeakPolarHBondContact O-CB 3.44Å; T494-Q498 WeakPolarHBondContact O-CG 3.25Å; T494-Q498 PolarHBondContact O-N 2.82Å; Q498-L500 VanDerWaalsContact C-N 3.33Å; Q498-L500 PolarHBondContact O-N 3.38Å; Q498-I501 PolarHBondContact O-N 2.84Å; Q498-R502 WeakPolarHBondContact O-CB 3.34Å; Q498-R502 PolarHBondContact O-N 3.34Å; Q498-G519 PolarHBondContact NE2-O 3.07Å; Q498-Y520 HydrophobicContact CG-CD1 3.66Å; Q498-Y520 HydrophobicContact CG-CE1 3.68Å; Q498-L523 HydrophobicContact CB-CD2 3.87Å; Q498-L523 HydrophobicContact CG-CD2 3.78Å; Q498-Y823 HydrophobicContact CB-CD1 4.05Å; Q498-Y823 HydrophobicContact CB-CD2 4.43Å; Q498-Y823 HydrophobicContact CB-CE1 4.24Å; Q498-Y823 HydrophobicContact CB-CG 4.18Å; Q498-Y823 VanDerWaalsContact OE1-CA 3.29Å
499	P	92.1	Very high	91.1	Very high	3 Å²	3	20.3 Å²	20.3	2%	0.019	15%	0.153	C	C	.	.	H	α-helix	trans	-53.1	-44.6	170.1	-30.5	36.1	0	0	0	114.1	F118 L457 G495 R502 S503 Y823	F118-P499 HydrophobicContact CE2-CB 3.86Å; F118-P499 WeakPolarHBondContact CE2-O 3.31Å; F118-P499 HydrophobicContact CZ-CB 3.68Å; L457-P499 HydrophobicContact CD1-CB 3.52Å; L457-P499 HydrophobicContact CD1-CG 4.37Å; L457-P499 HydrophobicContact CD2-CB 4.19Å; L457-P499 HydrophobicContact CG-CB 4.49Å; G495-P499 WeakPolarHBondContact O-CD 3.44Å; G495-P499 WeakPolarHBondContact O-CG 3.42Å; P499-R502 PolarHBondContact O-N 3.49Å; P499-S503 PolarHBondContact O-N 2.82Å; P499-Y823 HydrophobicContact CG-CE2 3.79Å
500	L	93	Very high	91.3	Very high	13 Å²	13	16.4 Å²	16.4	7%	0.068	12%	0.124	C	C	.	.	H	α-helix	trans	-65.9	-43.5	-179.5	-67.1	175.3	0	0	0	111.7	L457 M483 I497 Q498 R502 S503 V504	L457-L500 HydrophobicContact CB-CD2 4.02Å; L457-L500 HydrophobicContact CD2-CD2 3.85Å; L457-L500 HydrophobicContact CD2-CG 4.05Å; M483-L500 HydrophobicContact CE-CD1 3.69Å; M483-L500 HydrophobicContact SD-CD1 4.32Å; I497-L500 HydrophobicContact CD1-CD1 3.93Å; I497-L500 WeakPolarHBondContact O-CB 3.26Å; I497-L500 PolarHBondContact O-N 2.9Å; Q498-L500 VanDerWaalsContact C-N 3.33Å; Q498-L500 PolarHBondContact O-N 3.38Å; L500-R502 VanDerWaalsContact C-N 3.32Å; L500-R502 PolarHBondContact O-N 2.88Å; L500-S503 PolarHBondContact O-N 2.95Å; L500-V504 WeakPolarHBondContact O-CG2 3.49Å; L500-V504 PolarHBondContact O-N 3.22Å; L500-V504 VanDerWaalsContact O-N 3.15Å
501	I	94.6	Very high	91.6	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-55.9	-50.9	172.9	-69.8	164.7	0	0	0	109.4	I497 Q498 S503 V504 L505 A511 V513 Y520 L523 M653 L693 V695	I497-I501 HydrophobicContact CG2-CD1 3.81Å; I497-I501 HydrophobicContact CG2-CG1 4.14Å; I497-I501 PolarHBondContact O-N 3.5Å; Q498-I501 PolarHBondContact O-N 2.84Å; I501-S503 VanDerWaalsContact C-N 3.34Å; I501-S503 PolarHBondContact O-N 2.96Å; I501-V504 WeakPolarHBondContact O-CB 3.3Å; I501-V504 PolarHBondContact O-N 3.32Å; I501-V504 VanDerWaalsContact O-N 3.11Å; I501-L505 HydrophobicContact CG2-CD1 3.73Å; I501-L505 HydrophobicContact CG2-CG 4.19Å; I501-L505 WeakPolarHBondContact O-CG 3.27Å; I501-L505 PolarHBondContact O-N 3.37Å; I501-A511 HydrophobicContact CG2-CB 3.78Å; I501-V513 HydrophobicContact CD1-CG2 3.73Å; I501-Y520 HydrophobicContact CD1-CD1 3.66Å; I501-Y520 HydrophobicContact CD1-CE1 3.56Å; I501-L523 HydrophobicContact CB-CD2 4.21Å; I501-L523 HydrophobicContact CD1-CD2 4.44Å; I501-L523 HydrophobicContact CG2-CD2 3.98Å; I501-M653 HydrophobicContact CG2-CE 4.12Å; I501-M653 HydrophobicContact CG2-SD 4.03Å; I501-L693 HydrophobicContact CG1-CD2 3.77Å; I501-V695 HydrophobicContact CD1-CG2 4.16Å; I501-V695 HydrophobicContact CG1-CG2 4.17Å
502	R	90.8	Very high	91.6	Very high	1 Å²	1	14.2 Å²	14.2	0%	0.004	10%	0.101	C	C	.	.	H	α-helix	trans	-57.6	-45.4	-179.5	-178.4	-179.8	160.4	-117.6	-32.9	112	F118 W120 Q498 P499 L500 V504 L505 D506 Y823	F118-R502 PolarHBondContact O-NH2 3.34Å; F118-R502 VanDerWaalsContact O-NH2 3.16Å; W120-R502 VanDerWaalsContact CG-NH2 3.34Å; W120-R502 VanDerWaalsContact CZ3-CZ 3.44Å; W120-R502 VanDerWaalsContact N-NH2 3.2Å; Q498-R502 WeakPolarHBondContact O-CB 3.34Å; Q498-R502 PolarHBondContact O-N 3.34Å; P499-R502 PolarHBondContact O-N 3.49Å; L500-R502 VanDerWaalsContact C-N 3.32Å; L500-R502 PolarHBondContact O-N 2.88Å; R502-V504 VanDerWaalsContact C-N 3.28Å; R502-V504 PolarHBondContact O-N 3.23Å; R502-L505 PolarHBondContact O-N 3.11Å; R502-L505 VanDerWaalsContact O-N 3.14Å; R502-D506 WeakPolarHBondContact CG-OD2 3.49Å; R502-D506 IonicContact CZ-OD2 2.62Å; R502-D506 IonicContact NE-OD2 3.65Å; R502-D506 PolarHBondContact NE-OD2 3.31Å; R502-D506 IonicContact NH2-OD2 3.06Å; R502-D506 PolarHBondContact NH2-OD2 2.9Å; R502-D506 WeakPolarHBondContact O-CB 3.29Å; R502-D506 PolarHBondContact O-N 2.67Å; R502-Y823 WeakPolarHBondContact CD-OH 3.23Å
503	S	88.6	Confident	91.6	Very high	12 Å²	12	13.5 Å²	13.5	8%	0.084	9%	0.094	C	C	.	.	H	α-helix	trans	-59.2	-38.6	177.3	179.8	0	0	0	0	112.7	E117 P499 L500 I501 S507	E117-S503 PolarHBondContact O-OG 3.4Å; P499-S503 PolarHBondContact O-N 2.82Å; L500-S503 PolarHBondContact O-N 2.95Å; I501-S503 VanDerWaalsContact C-N 3.34Å; I501-S503 PolarHBondContact O-N 2.96Å; S503-S507 WeakPolarHBondContact O-CB 3.33Å; S503-S507 PolarHBondContact O-N 3.17Å; S503-S507 VanDerWaalsContact O-N 3.13Å; S503-S507 PolarHBondContact O-OG 2.84Å
504	V	92	Very high	91.4	Very high	5 Å²	5	13 Å²	13	3%	0.03	9%	0.091	C	C	.	.	H	α-helix	trans	-64.8	-46.3	174.4	171.2	0	0	0	0	111	F472 L500 I501 R502 S507 G509 K691	F472-V504 HydrophobicContact CE2-CG2 3.69Å; F472-V504 HydrophobicContact CZ-CG2 4.44Å; L500-V504 WeakPolarHBondContact O-CG2 3.49Å; L500-V504 PolarHBondContact O-N 3.22Å; L500-V504 VanDerWaalsContact O-N 3.15Å; I501-V504 WeakPolarHBondContact O-CB 3.3Å; I501-V504 PolarHBondContact O-N 3.32Å; I501-V504 VanDerWaalsContact O-N 3.11Å; R502-V504 VanDerWaalsContact C-N 3.28Å; R502-V504 PolarHBondContact O-N 3.23Å; V504-S507 PolarHBondContact O-N 3.13Å; V504-G509 WeakPolarHBondContact O-CA 3.13Å; V504-G509 PolarHBondContact O-N 3.03Å; V504-K691 HydrophobicContact CG1-CB 3.93Å; V504-K691 HydrophobicContact CG2-CB 4.42Å
505	L	91.2	Very high	91.3	Very high	10 Å²	10	11.3 Å²	11.3	5%	0.052	8%	0.081	C	C	.	.	H	α-helix	trans	-66.1	-44.3	-179.5	-63.5	175.5	0	0	0	112.8	I501 R502 S507 G508 A511 M527 K652 M653	I501-L505 HydrophobicContact CG2-CD1 3.73Å; I501-L505 HydrophobicContact CG2-CG 4.19Å; I501-L505 WeakPolarHBondContact O-CG 3.27Å; I501-L505 PolarHBondContact O-N 3.37Å; R502-L505 PolarHBondContact O-N 3.11Å; R502-L505 VanDerWaalsContact O-N 3.14Å; L505-S507 PolarHBondContact O-N 3.49Å; L505-G508 WeakPolarHBondContact O-CA 3.05Å; L505-G508 PolarHBondContact O-N 3.34Å; L505-A511 HydrophobicContact CD2-CB 4.1Å; L505-M527 HydrophobicContact CB-CE 3.81Å; L505-M527 HydrophobicContact CD1-CB 4.13Å; L505-M527 HydrophobicContact CD1-CE 3.99Å; L505-M527 HydrophobicContact CD1-CG 4.05Å; L505-K652 HydrophobicContact CD2-CB 4.14Å; L505-K652 WeakPolarHBondContact CD2-O 3.45Å; L505-M653 HydrophobicContact CD1-CB 4Å; L505-M653 HydrophobicContact CD1-CG 4.29Å; L505-M653 HydrophobicContact CD1-SD 3.63Å; L505-M653 HydrophobicContact CD2-CB 4.13Å
506	D	85.8	Confident	90.8	Very high	35 Å²	35	13.3 Å²	13.3	19%	0.187	8%	0.084	C	C	.	.	H	α-helix	trans	-64.5	-29.7	177.6	-81.8	-28.5	0	0	0	111.3	S121 R502 G508	S121-D506 PolarHBondContact OG-OD1 3.29Å; R502-D506 WeakPolarHBondContact CG-OD2 3.49Å; R502-D506 IonicContact CZ-OD2 2.62Å; R502-D506 IonicContact NE-OD2 3.65Å; R502-D506 PolarHBondContact NE-OD2 3.31Å; R502-D506 IonicContact NH2-OD2 3.06Å; R502-D506 PolarHBondContact NH2-OD2 2.9Å; R502-D506 WeakPolarHBondContact O-CB 3.29Å; R502-D506 PolarHBondContact O-N 2.67Å; D506-G508 PolarHBondContact O-N 3.41Å
507	S	85.3	Confident	90	Very high	58 Å²	58	14.5 Å²	14.5	41%	0.406	10%	0.096	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	4.6	170.7	-57.9	0	0	0	0	113.7	S503 V504 L505 G509	S503-S507 WeakPolarHBondContact O-CB 3.33Å; S503-S507 PolarHBondContact O-N 3.17Å; S503-S507 VanDerWaalsContact O-N 3.13Å; S503-S507 PolarHBondContact O-OG 2.84Å; V504-S507 PolarHBondContact O-N 3.13Å; L505-S507 PolarHBondContact O-N 3.49Å; S507-G509 VanDerWaalsContact C-N 3.34Å
508	G	86.7	Confident	89.3	Confident	37 Å²	37	18.9 Å²	18.9	38%	0.381	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.8	6.3	-176.6	0	0	0	0	0	114.7	L505 D506 L690	L505-G508 WeakPolarHBondContact O-CA 3.05Å; L505-G508 PolarHBondContact O-N 3.34Å; D506-G508 PolarHBondContact O-N 3.41Å; G508-L690 VanDerWaalsContact O-CD1 3.23Å; G508-L690 WeakPolarHBondContact O-CD1 3.15Å
509	G	92.1	Very high	88.9	Confident	2 Å²	2	19.4 Å²	19.4	2%	0.021	13%	0.127	C	C	.	.			trans	-75.4	-168.1	-179.1	0	0	0	0	0	114.7	V504 S507 K691	V504-G509 WeakPolarHBondContact O-CA 3.13Å; V504-G509 PolarHBondContact O-N 3.03Å; S507-G509 VanDerWaalsContact C-N 3.34Å; G509-K691 CarbonylContact C-O 3.52Å; G509-K691 WeakPolarHBondContact CA-O 3.39Å
510	F	93.2	Very high	88.9	Confident	13 Å²	13	19.3 Å²	19.3	6%	0.057	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	141.7	-176.1	170.4	-111.8	0	0	0	111.8	V512 A651 K652 V654 Y678 R682 K691 K692 L693	F510-V512 HydrophobicContact CD1-CG2 4.36Å; F510-V512 HydrophobicContact CE1-CG2 3.28Å; F510-V512 HydrophobicContact CE2-CG2 3.99Å; F510-V512 HydrophobicContact CZ-CB 4.49Å; F510-V512 HydrophobicContact CZ-CG2 3.05Å; F510-A651 WeakPolarHBondContact CD2-O 3.44Å; F510-A651 VanDerWaalsContact CE2-O 3.31Å; F510-A651 WeakPolarHBondContact CE2-O 3.28Å; F510-K652 WeakPolarHBondContact CA-O 3.42Å; F510-K652 WeakPolarHBondContact CD2-O 3.5Å; F510-V654 HydrophobicContact CE2-CG2 4.25Å; F510-Y678 AromaticContact CZ-CE1 3.85Å; F510-Y678 HydrophobicContact CZ-CE1 3.85Å; F510-R682 HydrophobicContact CD1-CB 3.95Å; F510-R682 HydrophobicContact CD1-CG 4.44Å; F510-R682 HydrophobicContact CE1-CB 3.46Å; F510-R682 VanDerWaalsContact CE1-CB 3.46Å; F510-R682 HydrophobicContact CE1-CG 3.74Å; F510-R682 HydrophobicContact CZ-CB 4.12Å; F510-R682 HydrophobicContact CZ-CG 3.85Å; F510-K691 PolarHBondContact N-O 2.76Å; F510-K692 CarbonylContact O-C 3.49Å; F510-K692 WeakPolarHBondContact O-CA 3.34Å; F510-L693 PolarHBondContact O-N 3.07Å
511	A	95.2	Very high	88.7	Confident	0 Å²	0	21.3 Å²	21.3	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	136.8	175.9	0	0	0	0	0	112.7	I501 L505 K652 M653 V654 L693	I501-A511 HydrophobicContact CG2-CB 3.78Å; L505-A511 HydrophobicContact CD2-CB 4.1Å; A511-K652 PolarHBondContact N-O 3.16Å; A511-M653 CarbonylContact O-C 3.56Å; A511-M653 VanDerWaalsContact O-CA 3.27Å; A511-M653 WeakPolarHBondContact O-CA 3.14Å; A511-V654 PolarHBondContact O-N 3.41Å; A511-L693 CarbonylContact C-O 3.56Å; A511-L693 VanDerWaalsContact CA-O 3.29Å; A511-L693 WeakPolarHBondContact CA-O 3.29Å; A511-L693 HydrophobicContact CB-CB 4.29Å
512	V	93.5	Very high	88.3	Confident	1 Å²	1	21.6 Å²	21.6	1%	0.006	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	138.7	165.9	-174	0	0	0	0	108.8	F510 F514 V654 Y678 I679 L693 N694 V695	F510-V512 HydrophobicContact CD1-CG2 4.36Å; F510-V512 HydrophobicContact CE1-CG2 3.28Å; F510-V512 HydrophobicContact CE2-CG2 3.99Å; F510-V512 HydrophobicContact CZ-CB 4.49Å; F510-V512 HydrophobicContact CZ-CG2 3.05Å; V512-F514 HydrophobicContact CG1-CE2 4.48Å; V512-V654 CarbonylContact C-O 3.49Å; V512-V654 VanDerWaalsContact CA-O 3.29Å; V512-V654 WeakPolarHBondContact CA-O 3.43Å; V512-V654 HydrophobicContact CG1-CB 4.37Å; V512-V654 HydrophobicContact CG1-CG1 4.46Å; V512-V654 HydrophobicContact CG2-CB 4.36Å; V512-Y678 HydrophobicContact CG2-CE1 4.42Å; V512-I679 HydrophobicContact CB-CD1 4.41Å; V512-I679 HydrophobicContact CB-CG1 4.22Å; V512-I679 HydrophobicContact CG1-CD1 3.97Å; V512-I679 HydrophobicContact CG1-CG1 4.09Å; V512-I679 HydrophobicContact CG2-CG1 3.99Å; V512-L693 PolarHBondContact N-O 3.36Å; V512-N694 CarbonylContact O-C 3.6Å; V512-N694 WeakPolarHBondContact O-CA 3.39Å; V512-V695 PolarHBondContact O-N 3.24Å
513	V	92.9	Very high	88.2	Confident	0 Å²	0	21.5 Å²	21.5	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	127.7	176.8	-169.5	0	0	0	0	109.9	I501 Y520 M653 V654 V655 L656 V695	I501-V513 HydrophobicContact CD1-CG2 3.73Å; V513-Y520 HydrophobicContact CB-CD2 4.47Å; V513-Y520 HydrophobicContact CB-CG 4.47Å; V513-Y520 HydrophobicContact CG1-CD1 4.31Å; V513-Y520 HydrophobicContact CG1-CD2 3.4Å; V513-Y520 VanDerWaalsContact CG1-CD2 3.4Å; V513-Y520 HydrophobicContact CG1-CE2 3.66Å; V513-Y520 HydrophobicContact CG1-CG 3.8Å; V513-Y520 HydrophobicContact CG2-CD1 4.44Å; V513-Y520 HydrophobicContact CG2-CG 4.42Å; V513-M653 HydrophobicContact CG2-CE 4.31Å; V513-V654 PolarHBondContact N-O 2.92Å; V513-V655 HydrophobicContact CB-CG1 4.43Å; V513-V655 HydrophobicContact CB-CG2 4.03Å; V513-V655 HydrophobicContact CG2-CG2 4.16Å; V513-V655 CarbonylContact O-C 3.23Å; V513-V655 WeakPolarHBondContact O-CA 3.36Å; V513-L656 PolarHBondContact O-N 3.25Å; V513-V695 CarbonylContact C-O 3.41Å; V513-V695 WeakPolarHBondContact CA-O 3.49Å; V513-V695 HydrophobicContact CB-CB 4.34Å; V513-V695 HydrophobicContact CG1-CB 4Å; V513-V695 HydrophobicContact CG1-CG1 4.08Å; V513-V695 HydrophobicContact CG2-CB 4.12Å; V513-V695 HydrophobicContact CG2-CG2 4.4Å
514	F	88.7	Confident	88.3	Confident	5 Å²	5	21 Å²	21	2%	0.022	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	115	163.1	-62.4	-87.7	0	0	0	107.6	V512 L656 L658 M672 L675 I679 N694 V695 I696 D697 L702	V512-F514 HydrophobicContact CG1-CE2 4.48Å; F514-L656 HydrophobicContact CD1-CD2 3.66Å; F514-L656 HydrophobicContact CE1-CD2 3.95Å; F514-L658 HydrophobicContact CB-CD1 3.99Å; F514-L658 HydrophobicContact CD1-CD1 4.28Å; F514-M672 HydrophobicContact CD1-CE 3.96Å; F514-M672 HydrophobicContact CD1-SD 3.92Å; F514-M672 HydrophobicContact CE1-CE 3.49Å; F514-M672 VanDerWaalsContact CE1-CE 3.49Å; F514-M672 HydrophobicContact CE1-SD 3.65Å; F514-M672 HydrophobicContact CZ-CE 3.98Å; F514-L675 HydrophobicContact CE1-CB 4.11Å; F514-L675 HydrophobicContact CE1-CD1 3.71Å; F514-L675 HydrophobicContact CZ-CB 4.12Å; F514-L675 HydrophobicContact CZ-CD1 4.48Å; F514-I679 HydrophobicContact CE2-CD1 3.42Å; F514-I679 VanDerWaalsContact CE2-CD1 3.42Å; F514-I679 HydrophobicContact CZ-CD1 3.39Å; F514-N694 WeakPolarHBondContact CE2-OD1 3.3Å; F514-V695 PolarHBondContact N-O 3.49Å; F514-I696 HydrophobicContact CD2-CG1 3.88Å; F514-D697 PolarHBondContact O-N 2.9Å; F514-L702 HydrophobicContact CB-CD1 4.14Å; F514-L702 HydrophobicContact CD1-CD1 4.27Å; F514-L702 HydrophobicContact CG-CD1 4.26Å
515	D	88.5	Confident	87.9	Confident	8 Å²	8	23.6 Å²	23.6	4%	0.043	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	146.9	-175.2	-154	1.4	0	0	0	110.4	G519 Y520 V655 L656 L658	D515-G519 WeakPolarHBondContact OD2-CA 3.38Å; D515-G519 PolarHBondContact OD2-N 2.74Å; D515-Y520 HydrophobicContact CB-CD2 4.2Å; D515-Y520 VanDerWaalsContact CG-CD2 3.5Å; D515-Y520 WeakPolarHBondContact OD2-CD2 3.37Å; D515-Y520 PolarHBondContact OD2-N 2.6Å; D515-V655 HydrophobicContact CB-CG1 4.17Å; D515-L656 PolarHBondContact N-O 3.44Å; D515-L658 WeakPolarHBondContact O-CB 3.35Å; D515-L658 PolarHBondContact O-N 2.85Å
516	M	79.7	Confident	87.4	Confident	70 Å²	70	24 Å²	24	35%	0.345	15%	0.146	S	C	.	.	S	Bend	trans	-109.7	24.1	177.2	-163.1	73.7	-174.3	0	0	111.1	L658 E662 E698	M516-L658 HydrophobicContact SD-CB 4.28Å; M516-E662 WeakPolarHBondContact CE-OE2 3.44Å; M516-E698 HydrophobicContact CB-CB 4.11Å
517	G	78.4	Confident	87.3	Confident	26 Å²	26	24.7 Å²	24.7	27%	0.268	15%	0.149	S	C	.	.	S	Bend	trans	172.5	178.5	179	0	0	0	0	0	110.2	G519 E657	G517-G519 PolarHBondContact O-N 3.3Å; G517-E657 WeakPolarHBondContact CA-OE1 3.35Å; G517-E657 WeakPolarHBondContact CA-OE2 3.46Å; G517-E657 PolarHBondContact N-OE1 2.78Å; G517-E657 VanDerWaalsContact N-OE1 3.13Å; G517-E657 PolarHBondContact N-OE2 3.21Å
518	D	80	Confident	87	Confident	92 Å²	92	25 Å²	25	49%	0.492	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	30.5	-172.5	-65	-59.4	0	0	0	115.4	Y520 K521 Y531	D518-Y520 PolarHBondContact O-N 2.92Å; D518-K521 HydrophobicContact CB-CB 4.17Å; D518-K521 HydrophobicContact CB-CD 4.23Å; D518-K521 PolarHBondContact O-N 3.32Å; D518-Y531 PolarHBondContact OD1-OH 3Å
519	G	85.2	Confident	87.1	Confident	17 Å²	17	24 Å²	24	18%	0.175	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-34.9	-170.6	0	0	0	0	0	114.5	Q498 D515 G517	Q498-G519 PolarHBondContact NE2-O 3.07Å; D515-G519 WeakPolarHBondContact OD2-CA 3.38Å; D515-G519 PolarHBondContact OD2-N 2.74Å; G517-G519 PolarHBondContact O-N 3.3Å
520	Y	91.8	Very high	86.9	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.8	0.6	177.8	-59.5	-88.8	0	0	0	113.7	T494 I497 Q498 I501 V513 D515 D518 S522 L523 C524 D697 I731	T494-Y520 HydrophobicContact CG2-CD1 4.5Å; T494-Y520 HydrophobicContact CG2-CE1 4.01Å; T494-Y520 HydrophobicContact CG2-CE2 4.1Å; I497-Y520 HydrophobicContact CB-CE1 4.42Å; I497-Y520 HydrophobicContact CG2-CE1 4.02Å; Q498-Y520 HydrophobicContact CG-CD1 3.66Å; Q498-Y520 HydrophobicContact CG-CE1 3.68Å; I501-Y520 HydrophobicContact CD1-CD1 3.66Å; I501-Y520 HydrophobicContact CD1-CE1 3.56Å; V513-Y520 HydrophobicContact CB-CD2 4.47Å; V513-Y520 HydrophobicContact CB-CG 4.47Å; V513-Y520 HydrophobicContact CG1-CD1 4.31Å; V513-Y520 HydrophobicContact CG1-CD2 3.4Å; V513-Y520 VanDerWaalsContact CG1-CD2 3.4Å; V513-Y520 HydrophobicContact CG1-CE2 3.66Å; V513-Y520 HydrophobicContact CG1-CG 3.8Å; V513-Y520 HydrophobicContact CG2-CD1 4.44Å; V513-Y520 HydrophobicContact CG2-CG 4.42Å; D515-Y520 HydrophobicContact CB-CD2 4.2Å; D515-Y520 VanDerWaalsContact CG-CD2 3.5Å; D515-Y520 WeakPolarHBondContact OD2-CD2 3.37Å; D515-Y520 PolarHBondContact OD2-N 2.6Å; D518-Y520 PolarHBondContact O-N 2.92Å; Y520-S522 PolarHBondContact O-N 2.92Å; Y520-L523 PolarHBondContact O-N 3.15Å; Y520-C524 WeakPolarHBondContact O-CB 3.34Å; Y520-C524 PolarHBondContact O-N 3.41Å; Y520-D697 HydrophobicContact CE2-CB 3.9Å; Y520-D697 WeakPolarHBondContact CE2-OD2 3.37Å; Y520-D697 PolarHBondContact OH-OD2 2.59Å; Y520-I731 WeakPolarHBondContact OH-CD1 3.28Å
521	K	87.8	Confident	86.6	Confident	55 Å²	55	27 Å²	27	24%	0.239	17%	0.166	C	C	.	.	H	α-helix	trans	-56.1	-52.5	-178	-176.3	174.9	-176.3	173.9	0	112.7	D518 L523 C524 E525 Y531 F830	D518-K521 HydrophobicContact CB-CB 4.17Å; D518-K521 HydrophobicContact CB-CD 4.23Å; D518-K521 PolarHBondContact O-N 3.32Å; K521-L523 PolarHBondContact O-N 2.75Å; K521-C524 WeakPolarHBondContact O-CB 3.04Å; K521-C524 PolarHBondContact O-N 2.95Å; K521-E525 WeakPolarHBondContact CE-OE1 3.13Å; K521-E525 PolarHBondContact O-N 3.48Å; K521-Y531 HydrophobicContact CB-CD2 3.98Å; K521-Y531 HydrophobicContact CB-CE2 3.49Å; K521-Y531 VanDerWaalsContact CB-CE2 3.49Å; K521-Y531 HydrophobicContact CD-CD1 4.49Å; K521-Y531 HydrophobicContact CD-CE1 3.97Å; K521-Y531 HydrophobicContact CD-CE2 4.31Å; K521-Y531 HydrophobicContact CG-CD1 4.31Å; K521-Y531 HydrophobicContact CG-CD2 3.92Å; K521-Y531 HydrophobicContact CG-CE1 4.11Å; K521-Y531 HydrophobicContact CG-CE2 3.74Å; K521-Y531 HydrophobicContact CG-CG 4.2Å; K521-F830 HydrophobicContact CD-CE2 4.49Å; K521-F830 HydrophobicContact CG-CE2 4.41Å
522	S	86	Confident	86.2	Confident	6 Å²	6	27.2 Å²	27.2	4%	0.042	17%	0.167	C	C	.	.	H	α-helix	trans	-57.4	-49.5	179.1	-173.2	0	0	0	0	111	Y520 C524 E525 N526 M822 S824	Y520-S522 PolarHBondContact O-N 2.92Å; S522-C524 VanDerWaalsContact C-N 3.35Å; S522-C524 PolarHBondContact O-N 2.95Å; S522-E525 PolarHBondContact O-N 2.89Å; S522-N526 WeakPolarHBondContact O-CB 3.39Å; S522-N526 PolarHBondContact O-N 3.25Å; S522-N526 PolarHBondContact O-ND2 2.99Å; S522-N526 PolarHBondContact O-OD1 3.12Å; S522-N526 PolarHBondContact OG-ND2 2.9Å; S522-M822 PolarHBondContact OG-O 3.48Å; S522-S824 WeakPolarHBondContact CB-O 3.48Å; S522-S824 PolarHBondContact OG-O 3.44Å; S522-S824 VanDerWaalsContact OG-O 3.11Å
523	L	89.9	Confident	85.6	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-59.6	-44	177	-179.8	63.8	0	0	0	112.2	Q498 I501 Y520 K521 N526 M527 M653 M822 Y823	Q498-L523 HydrophobicContact CB-CD2 3.87Å; Q498-L523 HydrophobicContact CG-CD2 3.78Å; I501-L523 HydrophobicContact CB-CD2 4.21Å; I501-L523 HydrophobicContact CD1-CD2 4.44Å; I501-L523 HydrophobicContact CG2-CD2 3.98Å; Y520-L523 PolarHBondContact O-N 3.15Å; K521-L523 PolarHBondContact O-N 2.75Å; L523-N526 PolarHBondContact O-N 3.29Å; L523-M527 HydrophobicContact CD1-CG 3.76Å; L523-M527 HydrophobicContact CG-CG 4.33Å; L523-M527 WeakPolarHBondContact O-CB 3.19Å; L523-M527 VanDerWaalsContact O-CG 3.27Å; L523-M527 WeakPolarHBondContact O-CG 3.35Å; L523-M527 PolarHBondContact O-N 3.1Å; L523-M653 HydrophobicContact CB-CE 4.28Å; L523-M653 HydrophobicContact CD2-CE 3.89Å; L523-M653 HydrophobicContact CD2-SD 4.44Å; L523-M653 HydrophobicContact CG-CE 3.88Å; L523-M653 HydrophobicContact CG-SD 4.13Å; L523-M822 HydrophobicContact CD1-SD 4.45Å; L523-Y823 HydrophobicContact CD1-CD1 4.23Å; L523-Y823 HydrophobicContact CD1-CE1 4Å
524	C	90.4	Very high	84.5	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-59.6	-53.2	179.9	-170.1	0	0	0	0	111.8	Y520 K521 S522 N526 M527 G528 G529 Y531 M653 V655	Y520-C524 WeakPolarHBondContact O-CB 3.34Å; Y520-C524 PolarHBondContact O-N 3.41Å; K521-C524 WeakPolarHBondContact O-CB 3.04Å; K521-C524 PolarHBondContact O-N 2.95Å; S522-C524 VanDerWaalsContact C-N 3.35Å; S522-C524 PolarHBondContact O-N 2.95Å; C524-N526 VanDerWaalsContact C-N 3.3Å; C524-N526 PolarHBondContact O-N 3.48Å; C524-M527 PolarHBondContact O-N 2.81Å; C524-G528 PolarHBondContact O-N 2.89Å; C524-G529 WeakPolarHBondContact O-CA 3.41Å; C524-G529 PolarHBondContact O-N 2.87Å; C524-G529 VanDerWaalsContact SG-C 3.53Å; C524-Y531 HydrophobicContact CB-CD2 4.37Å; C524-M653 HydrophobicContact CB-CE 4.02Å; C524-M653 HydrophobicContact CB-SD 4.4Å; C524-V655 HydrophobicContact CB-CB 4.07Å; C524-V655 HydrophobicContact CB-CG2 3.52Å
525	E	83.6	Confident	83.6	Confident	60 Å²	60	36.9 Å²	36.9	28%	0.28	22%	0.216	S	C	.	.	H	α-helix	trans	-63	-39.9	179.6	-68.8	-179.7	-178	0	0	111.3	K521 S522 M527 G528 F830 Q834	K521-E525 WeakPolarHBondContact CE-OE1 3.13Å; K521-E525 PolarHBondContact O-N 3.48Å; S522-E525 PolarHBondContact O-N 2.89Å; E525-M527 VanDerWaalsContact C-N 3.34Å; E525-M527 PolarHBondContact O-N 3.38Å; E525-G528 PolarHBondContact O-N 3.37Å; E525-F830 WeakPolarHBondContact OE2-CE2 3.39Å; E525-F830 VanDerWaalsContact OE2-CZ 3.23Å; E525-F830 WeakPolarHBondContact OE2-CZ 3.46Å; E525-Q834 PolarHBondContact OE2-NE2 3.44Å
526	N	81.2	Confident	82.8	Confident	18 Å²	18	39.8 Å²	39.8	10%	0.096	23%	0.234	C	C	.	.	H	α-helix	trans	-67.3	-34.4	-179.2	-66	-16.2	0	0	0	112.5	S522 L523 C524 G528 M822 I843	S522-N526 WeakPolarHBondContact O-CB 3.39Å; S522-N526 PolarHBondContact O-N 3.25Å; S522-N526 PolarHBondContact O-ND2 2.99Å; S522-N526 PolarHBondContact O-OD1 3.12Å; S522-N526 PolarHBondContact OG-ND2 2.9Å; L523-N526 PolarHBondContact O-N 3.29Å; C524-N526 VanDerWaalsContact C-N 3.3Å; C524-N526 PolarHBondContact O-N 3.48Å; N526-G528 VanDerWaalsContact C-N 3.29Å; N526-G528 PolarHBondContact O-N 2.72Å; N526-M822 PolarHBondContact ND2-O 3.45Å; N526-I843 HydrophobicContact CB-CD1 3.97Å; N526-I843 HydrophobicContact CB-CG1 3.89Å; N526-I843 WeakPolarHBondContact OD1-CD1 3.26Å
527	M	83.4	Confident	82.8	Confident	51 Å²	51	36.5 Å²	36.5	25%	0.251	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	6	178.3	-65.3	-60.1	-67.3	0	0	113.5	L505 L523 C524 E525 G529 M653	L505-M527 HydrophobicContact CB-CE 3.81Å; L505-M527 HydrophobicContact CD1-CB 4.13Å; L505-M527 HydrophobicContact CD1-CE 3.99Å; L505-M527 HydrophobicContact CD1-CG 4.05Å; L523-M527 HydrophobicContact CD1-CG 3.76Å; L523-M527 HydrophobicContact CG-CG 4.33Å; L523-M527 WeakPolarHBondContact O-CB 3.19Å; L523-M527 VanDerWaalsContact O-CG 3.27Å; L523-M527 WeakPolarHBondContact O-CG 3.35Å; L523-M527 PolarHBondContact O-N 3.1Å; C524-M527 PolarHBondContact O-N 2.81Å; E525-M527 VanDerWaalsContact C-N 3.34Å; E525-M527 PolarHBondContact O-N 3.38Å; M527-G529 PolarHBondContact O-N 2.84Å; M527-M653 HydrophobicContact CB-SD 4.38Å
528	G	79.4	Confident	83.2	Confident	63 Å²	63	38.8 Å²	38.8	65%	0.649	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.4	26.6	-175.9	0	0	0	0	0	113.1	C524 E525 N526	C524-G528 PolarHBondContact O-N 2.89Å; E525-G528 PolarHBondContact O-N 3.37Å; N526-G528 VanDerWaalsContact C-N 3.29Å; N526-G528 PolarHBondContact O-N 2.72Å
529	G	87.3	Confident	83.5	Confident	17 Å²	17	34.9 Å²	34.9	18%	0.175	20%	0.197	C	C	.	.			trans	-76.8	173.9	173.2	0	0	0	0	0	112.8	C524 M527 M653	C524-G529 WeakPolarHBondContact O-CA 3.41Å; C524-G529 PolarHBondContact O-N 2.87Å; C524-G529 VanDerWaalsContact SG-C 3.53Å; M527-G529 PolarHBondContact O-N 2.84Å; G529-M653 CarbonylContact C-O 3.54Å; G529-M653 WeakPolarHBondContact CA-O 3.17Å
530	V	88.7	Confident	83.7	Confident	41 Å²	41	34.8 Å²	34.8	25%	0.248	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	109.2	176.9	-176.5	0	0	0	0	108.6	L532 A651 M653 V654 V655	V530-L532 HydrophobicContact CG1-CD2 3.6Å; V530-L532 HydrophobicContact CG1-CG 3.98Å; V530-A651 HydrophobicContact CG2-CB 3.75Å; V530-M653 PolarHBondContact N-O 2.8Å; V530-V654 WeakPolarHBondContact O-CA 3.46Å; V530-V655 PolarHBondContact O-N 2.91Å
531	Y	87.9	Confident	83.4	Confident	38 Å²	38	35.2 Å²	35.2	15%	0.149	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	126.3	170.3	-168.4	-99.6	0	0	0	109	D518 K521 C524 V655 E657	D518-Y531 PolarHBondContact OD1-OH 3Å; K521-Y531 HydrophobicContact CB-CD2 3.98Å; K521-Y531 HydrophobicContact CB-CE2 3.49Å; K521-Y531 VanDerWaalsContact CB-CE2 3.49Å; K521-Y531 HydrophobicContact CD-CD1 4.49Å; K521-Y531 HydrophobicContact CD-CE1 3.97Å; K521-Y531 HydrophobicContact CD-CE2 4.31Å; K521-Y531 HydrophobicContact CG-CD1 4.31Å; K521-Y531 HydrophobicContact CG-CD2 3.92Å; K521-Y531 HydrophobicContact CG-CE1 4.11Å; K521-Y531 HydrophobicContact CG-CE2 3.74Å; K521-Y531 HydrophobicContact CG-CG 4.2Å; C524-Y531 HydrophobicContact CB-CD2 4.37Å; Y531-V655 HydrophobicContact CD2-CB 3.78Å; Y531-V655 HydrophobicContact CD2-CG1 3.74Å; Y531-V655 HydrophobicContact CE2-CB 4.19Å; Y531-V655 HydrophobicContact CE2-CG1 3.6Å; Y531-E657 HydrophobicContact CE1-CB 4.32Å; Y531-E657 PolarHBondContact OH-OE2 2.82Å
532	L	86.5	Confident	83.4	Confident	4 Å²	4	32.6 Å²	32.6	2%	0.021	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	125.9	-178.8	-62.1	-179.1	0	0	0	109.7	V530 L537 S646 L647 V654 V655 L656 E657	V530-L532 HydrophobicContact CG1-CD2 3.6Å; V530-L532 HydrophobicContact CG1-CG 3.98Å; L532-L537 HydrophobicContact CB-CD1 4.48Å; L532-S646 VanDerWaalsContact CD2-CB 3.44Å; L532-L647 HydrophobicContact CD1-CD2 3.48Å; L532-L647 VanDerWaalsContact CD1-CD2 3.48Å; L532-L647 HydrophobicContact CD1-CG 3.92Å; L532-V654 HydrophobicContact CD1-CG1 4.25Å; L532-V655 PolarHBondContact N-O 3.01Å; L532-L656 HydrophobicContact CB-CD1 3.92Å; L532-L656 WeakPolarHBondContact O-CA 3.41Å; L532-E657 PolarHBondContact O-N 2.86Å
533	D	81.1	Confident	83.3	Confident	53 Å²	53	33.1 Å²	33.1	28%	0.283	19%	0.188	S	C	.	.			trans	-112.9	172	170.1	66.8	18.2	0	0	0	111	E535 T536 L537 E657	D533-E535 PolarHBondContact O-N 3.41Å; D533-E535 PolarHBondContact OD1-N 3.2Å; D533-T536 PolarHBondContact N-OG1 2.93Å; D533-T536 VanDerWaalsContact N-OG1 3.14Å; D533-T536 PolarHBondContact O-N 3.06Å; D533-T536 PolarHBondContact O-OG1 3.01Å; D533-T536 VanDerWaalsContact OD1-CB 3.3Å; D533-T536 WeakPolarHBondContact OD1-CB 3.3Å; D533-T536 WeakPolarHBondContact OD1-CG2 3.5Å; D533-T536 PolarHBondContact OD1-N 2.86Å; D533-T536 PolarHBondContact OD1-OG1 3.03Å; D533-L537 WeakPolarHBondContact O-CB 3.41Å; D533-L537 PolarHBondContact O-N 2.83Å; D533-E657 HydrophobicContact CB-CB 4.46Å
534	G	69.3	Low	82.7	Confident	8 Å²	8	35.1 Å²	35.1	8%	0.082	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-3.5	179	0	0	0	0	0	115.7	Y639	G534-Y639 WeakPolarHBondContact O-CE1 3.08Å; G534-Y639 PolarHBondContact O-OH 2.55Å
535	E	68.9	Low	82.1	Confident	148 Å²	148	35.5 Å²	35.5	69%	0.692	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-107.6	-37.9	178.6	-62.6	-165	162.1	0	0	113	D533 R538	D533-E535 PolarHBondContact O-N 3.41Å; D533-E535 PolarHBondContact OD1-N 3.2Å; E535-R538 PolarHBondContact O-NH1 2.98Å; E535-R538 PolarHBondContact O-NH2 2.86Å
536	T	73	Confident	81.8	Confident	69 Å²	69	38 Å²	38	42%	0.423	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-12.9	-177.1	55.1	0	0	0	0	113.8	D533 R538 S646	D533-T536 PolarHBondContact N-OG1 2.93Å; D533-T536 VanDerWaalsContact N-OG1 3.14Å; D533-T536 PolarHBondContact O-N 3.06Å; D533-T536 PolarHBondContact O-OG1 3.01Å; D533-T536 VanDerWaalsContact OD1-CB 3.3Å; D533-T536 WeakPolarHBondContact OD1-CB 3.3Å; D533-T536 WeakPolarHBondContact OD1-CG2 3.5Å; D533-T536 PolarHBondContact OD1-N 2.86Å; D533-T536 PolarHBondContact OD1-OG1 3.03Å; T536-R538 PolarHBondContact O-N 2.99Å; T536-S646 PolarHBondContact O-OG 3.02Å
537	L	80.2	Confident	81.8	Confident	1 Å²	1	39.6 Å²	39.6	1%	0.005	23%	0.229	C	C	.	.			trans	-71.3	121.6	-174.4	-175.5	149.7	0	0	0	112	L532 D533 F539 Y639 L656 V671	L532-L537 HydrophobicContact CB-CD1 4.48Å; D533-L537 WeakPolarHBondContact O-CB 3.41Å; D533-L537 PolarHBondContact O-N 2.83Å; L537-F539 HydrophobicContact CD1-CE2 3.93Å; L537-F539 HydrophobicContact CD1-CZ 3.77Å; L537-F539 HydrophobicContact CD2-CD2 3.45Å; L537-F539 VanDerWaalsContact CD2-CD2 3.45Å; L537-F539 HydrophobicContact CD2-CE2 3.11Å; L537-F539 HydrophobicContact CD2-CG 4.35Å; L537-F539 HydrophobicContact CD2-CZ 3.7Å; L537-F539 HydrophobicContact CG-CD2 4.32Å; L537-F539 HydrophobicContact CG-CE1 4.42Å; L537-F539 HydrophobicContact CG-CE2 3.71Å; L537-F539 HydrophobicContact CG-CZ 3.73Å; L537-Y639 HydrophobicContact CD2-CD1 4.12Å; L537-Y639 WeakPolarHBondContact O-CD1 3.3Å; L537-L656 HydrophobicContact CD1-CD1 3.33Å; L537-V671 HydrophobicContact CD1-CG1 3.63Å; L537-V671 HydrophobicContact CD1-CG2 4.45Å; L537-V671 HydrophobicContact CD2-CG1 4.34Å; L537-V671 HydrophobicContact CD2-CG2 3.78Å
538	R	86.2	Confident	81.8	Confident	73 Å²	73	37.6 Å²	37.6	28%	0.275	22%	0.219	S	C	.	.			trans	-133	121.8	178.8	-57.2	-65.4	179.6	-90.5	-5.3	108.8	E535 T536 R638 Y639 P645 S646	E535-R538 PolarHBondContact O-NH1 2.98Å; E535-R538 PolarHBondContact O-NH2 2.86Å; T536-R538 PolarHBondContact O-N 2.99Å; R538-R638 WeakPolarHBondContact CD-O 3.29Å; R538-R638 PolarHBondContact NE-O 3.44Å; R538-Y639 CarbonylContact C-O 3.51Å; R538-P645 CarbonylContact O-C 3.56Å; R538-P645 WeakPolarHBondContact O-CA 3.46Å; R538-S646 WeakPolarHBondContact CB-OG 3.27Å; R538-S646 PolarHBondContact N-OG 3.41Å; R538-S646 PolarHBondContact O-N 3.28Å; R538-S646 PolarHBondContact O-OG 3.45Å
539	F	86.6	Confident	82	Confident	11 Å²	11	40 Å²	40	5%	0.048	22%	0.217	C	C	.	.			trans	-116	161.6	174.2	-63	-55	0	0	0	110.5	L537 Y639 F640 N641 S642 L647 V671 L675	L537-F539 HydrophobicContact CD1-CE2 3.93Å; L537-F539 HydrophobicContact CD1-CZ 3.77Å; L537-F539 HydrophobicContact CD2-CD2 3.45Å; L537-F539 VanDerWaalsContact CD2-CD2 3.45Å; L537-F539 HydrophobicContact CD2-CE2 3.11Å; L537-F539 HydrophobicContact CD2-CG 4.35Å; L537-F539 HydrophobicContact CD2-CZ 3.7Å; L537-F539 HydrophobicContact CG-CD2 4.32Å; L537-F539 HydrophobicContact CG-CE1 4.42Å; L537-F539 HydrophobicContact CG-CE2 3.71Å; L537-F539 HydrophobicContact CG-CZ 3.73Å; F539-Y639 PolarHBondContact N-O 3.24Å; F539-F640 HydrophobicContact CB-CD1 4.02Å; F539-F640 AromaticContact CD2-CD1 3.7Å; F539-F640 HydrophobicContact CD2-CD1 3.7Å; F539-F640 AromaticContact CD2-CE1 3.56Å; F539-F640 HydrophobicContact CD2-CE1 3.56Å; F539-F640 HydrophobicContact CD2-CZ 4.46Å; F539-F640 HydrophobicContact CE2-CE1 4.15Å; F539-F640 HydrophobicContact CG-CD1 4.34Å; F539-F640 CarbonylContact O-C 2.93Å; F539-F640 VanDerWaalsContact O-CA 3.32Å; F539-F640 WeakPolarHBondContact O-CA 3.29Å; F539-F640 VanDerWaalsContact O-O 3.05Å; F539-N641 PolarHBondContact O-N 3.28Å; F539-S642 PolarHBondContact O-N 3.06Å; F539-L647 HydrophobicContact CD1-CD1 4.23Å; F539-L647 HydrophobicContact CE1-CD1 3.49Å; F539-L647 VanDerWaalsContact CE1-CD1 3.49Å; F539-L647 HydrophobicContact CE1-CG 3.99Å; F539-L647 HydrophobicContact CZ-CD1 4.43Å; F539-V671 HydrophobicContact CE2-CB 4.21Å; F539-V671 HydrophobicContact CE2-CG1 3.94Å; F539-V671 HydrophobicContact CE2-CG2 4.16Å; F539-V671 HydrophobicContact CZ-CG1 4.3Å; F539-L675 HydrophobicContact CE1-CD2 4.28Å; F539-L675 HydrophobicContact CE1-CG 4.46Å; F539-L675 HydrophobicContact CZ-CD1 4.44Å; F539-L675 HydrophobicContact CZ-CD2 4.06Å; F539-L675 HydrophobicContact CZ-CG 3.86Å
540	N	88.6	Confident	81.6	Confident	14 Å²	14	44.7 Å²	44.7	8%	0.075	23%	0.234	C	C	.	.			trans	-142.9	118.7	162.1	174.7	-18.7	0	0	0	106.3	F542 A543 A592 S642	N540-F542 PolarHBondContact O-N 2.81Å; N540-F542 WeakPolarHBondContact OD1-CB 3.3Å; N540-F542 PolarHBondContact OD1-N 3.48Å; N540-A543 HydrophobicContact CB-CB 3.86Å; N540-A543 PolarHBondContact O-N 2.88Å; N540-A543 VanDerWaalsContact O-N 3.13Å; N540-A592 PolarHBondContact ND2-O 3.12Å; N540-A592 VanDerWaalsContact ND2-O 3.17Å; N540-A592 PolarHBondContact OD1-O 2.8Å; N540-A592 VanDerWaalsContact OD1-O 3.07Å; N540-S642 WeakPolarHBondContact CB-O 3.4Å; N540-S642 PolarHBondContact ND2-O 3.27Å
541	P	86.2	Confident	81.2	Confident	10 Å²	10	42.9 Å²	42.9	7%	0.065	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-25.1	178.6	-27.6	34.2	0	0	0	114.5	V555 L559 I594 F640	P541-V555 HydrophobicContact CB-CG1 3.93Å; P541-L559 HydrophobicContact CG-CD2 4.21Å; P541-I594 HydrophobicContact CG-CD1 4.21Å; P541-I594 HydrophobicContact CG-CG1 4.12Å; P541-F640 WeakPolarHBondContact CD-O 3.24Å
542	F	88.1	Confident	81.2	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.4	-11.5	-176.6	-58.1	-87.9	0	0	0	114.9	N540 N544 I545 V555 V581 W585 A592 V597	N540-F542 PolarHBondContact O-N 2.81Å; N540-F542 WeakPolarHBondContact OD1-CB 3.3Å; N540-F542 PolarHBondContact OD1-N 3.48Å; F542-N544 PolarHBondContact O-N 3.33Å; F542-I545 HydrophobicContact CB-CD1 4.2Å; F542-I545 HydrophobicContact CD1-CD1 3.77Å; F542-I545 HydrophobicContact CG-CD1 4.33Å; F542-I545 PolarHBondContact O-N 3.45Å; F542-V555 HydrophobicContact CE1-CG1 4.07Å; F542-V555 HydrophobicContact CZ-CG1 4.11Å; F542-V581 HydrophobicContact CE1-CG1 4.02Å; F542-V581 HydrophobicContact CZ-CG1 4.48Å; F542-W585 HydrophobicContact CD1-CB 4.1Å; F542-W585 HydrophobicContact CE1-CB 4.17Å; F542-A592 HydrophobicContact CB-CB 3.94Å; F542-A592 HydrophobicContact CD1-CB 3.77Å; F542-A592 VanDerWaalsContact CD2-C 3.46Å; F542-A592 HydrophobicContact CD2-CB 3.73Å; F542-A592 VanDerWaalsContact CD2-O 3.27Å; F542-A592 WeakPolarHBondContact CD2-O 3.22Å; F542-A592 HydrophobicContact CE1-CB 4.15Å; F542-A592 HydrophobicContact CE2-CB 4.12Å; F542-A592 HydrophobicContact CG-CB 3.54Å; F542-A592 HydrophobicContact CZ-CB 4.32Å; F542-V597 HydrophobicContact CE2-CG2 3.95Å; F542-V597 HydrophobicContact CZ-CG2 3.66Å
543	A	83.1	Confident	81.2	Confident	16 Å²	16	46 Å²	46	13%	0.132	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-43	-170.1	0	0	0	0	0	114.1	N540 N590 P645	N540-A543 HydrophobicContact CB-CB 3.86Å; N540-A543 PolarHBondContact O-N 2.88Å; N540-A543 VanDerWaalsContact O-N 3.13Å; A543-N590 PolarHBondContact O-ND2 3.26Å; A543-P645 HydrophobicContact CB-CB 4.13Å; A543-P645 HydrophobicContact CB-CG 3.65Å
544	N	76.2	Confident	81.2	Confident	43 Å²	43	47.1 Å²	47.1	23%	0.23	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.3	21.8	-173.2	-60.8	-27	0	0	0	112.7	F542 L647	F542-N544 PolarHBondContact O-N 3.33Å; N544-L647 PolarHBondContact ND2-O 2.83Å
545	I	77.7	Confident	82	Confident	7 Å²	7	46.9 Å²	46.9	4%	0.036	24%	0.237	C	C	.	.			trans	-86.4	120.3	177.4	-58.6	176.9	0	0	0	110	F542 I548 V555 N590	F542-I545 HydrophobicContact CB-CD1 4.2Å; F542-I545 HydrophobicContact CD1-CD1 3.77Å; F542-I545 HydrophobicContact CG-CD1 4.33Å; F542-I545 PolarHBondContact O-N 3.45Å; I545-I548 HydrophobicContact CD1-CD1 4.25Å; I545-I548 HydrophobicContact CG2-CD1 4.41Å; I545-V555 HydrophobicContact CD1-CG2 3.52Å; I545-V555 HydrophobicContact CG1-CG2 4.28Å; I545-N590 PolarHBondContact O-ND2 2.98Å
546	T	77.6	Confident	83	Confident	112 Å²	112	41.4 Å²	41.4	69%	0.687	21%	0.21	S	C	*	.	S	Bend	trans	-95.4	-40.7	170.7	51.1	0	0	0	0	112.4
547	D	81.7	Confident	83.6	Confident	52 Å²	52	39.7 Å²	39.7	28%	0.278	20%	0.198	S	C	.	.			trans	-129.7	119	178.7	-178.2	-12	0	0	0	109.5	D549 Q550 S551	D547-D549 PolarHBondContact OD1-N 2.96Å; D547-Q550 HydrophobicContact CB-CB 4.42Å; D547-Q550 HydrophobicContact CB-CG 4.45Å; D547-Q550 WeakPolarHBondContact OD2-CG 3.34Å; D547-Q550 PolarHBondContact OD2-NE2 2.8Å; D547-S551 VanDerWaalsContact O-CB 3.23Å; D547-S551 WeakPolarHBondContact O-CB 3.41Å; D547-S551 PolarHBondContact O-N 3.45Å; D547-S551 PolarHBondContact O-OG 2.79Å
548	I	83.5	Confident	83.8	Confident	9 Å²	9	40 Å²	40	5%	0.046	20%	0.199	C	C	.	.	S	Bend	trans	-72.3	-35.8	-179.1	-165.9	54.8	0	0	0	112.5	I545 Q550 S551 A552 V581 R582 W585	I545-I548 HydrophobicContact CD1-CD1 4.25Å; I545-I548 HydrophobicContact CG2-CD1 4.41Å; I548-Q550 PolarHBondContact O-N 2.89Å; I548-S551 PolarHBondContact O-N 2.99Å; I548-A552 HydrophobicContact CD1-CB 3.96Å; I548-A552 HydrophobicContact CG1-CB 4.15Å; I548-A552 WeakPolarHBondContact O-CB 3.48Å; I548-A552 PolarHBondContact O-N 2.83Å; I548-V581 HydrophobicContact CD1-CG1 4.33Å; I548-R582 HydrophobicContact CG1-CG 4.4Å; I548-W585 HydrophobicContact CB-CD2 3.46Å; I548-W585 VanDerWaalsContact CB-CD2 3.46Å; I548-W585 HydrophobicContact CB-CE3 3.39Å; I548-W585 HydrophobicContact CB-CG 4.03Å; I548-W585 HydrophobicContact CB-CH2 3.94Å; I548-W585 HydrophobicContact CB-CZ2 4.02Å; I548-W585 HydrophobicContact CB-CZ3 3.65Å; I548-W585 HydrophobicContact CD1-CB 3.57Å; I548-W585 HydrophobicContact CD1-CD2 3.99Å; I548-W585 HydrophobicContact CD1-CG 3.56Å; I548-W585 HydrophobicContact CG1-CB 3.88Å; I548-W585 HydrophobicContact CG1-CD2 3.71Å; I548-W585 HydrophobicContact CG1-CE3 3.75Å; I548-W585 HydrophobicContact CG1-CG 3.78Å; I548-W585 HydrophobicContact CG1-CZ3 4.46Å; I548-W585 HydrophobicContact CG2-CD2 4.04Å; I548-W585 HydrophobicContact CG2-CE3 3.39Å; I548-W585 HydrophobicContact CG2-CH2 3.78Å; I548-W585 HydrophobicContact CG2-CZ2 4.39Å; I548-W585 HydrophobicContact CG2-CZ3 3.25Å
549	D	82.8	Confident	83.9	Confident	113 Å²	113	36.5 Å²	36.5	60%	0.604	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-32.7	-175.4	-71.5	-38	0	0	0	110.4	D547	D547-D549 PolarHBondContact OD1-N 2.96Å
550	Q	78.8	Confident	84	Confident	116 Å²	116	36.2 Å²	36.2	54%	0.542	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-16.6	174.9	-63.3	-177.7	38.8	0	0	114.6	D547 I548 R554	D547-Q550 HydrophobicContact CB-CB 4.42Å; D547-Q550 HydrophobicContact CB-CG 4.45Å; D547-Q550 WeakPolarHBondContact OD2-CG 3.34Å; D547-Q550 PolarHBondContact OD2-NE2 2.8Å; I548-Q550 PolarHBondContact O-N 2.89Å; Q550-R554 PolarHBondContact O-NH1 2.83Å
551	S	82.2	Confident	83.7	Confident	4 Å²	4	35.7 Å²	35.7	3%	0.028	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.6	-17.2	-168.8	-48.3	0	0	0	0	114.1	D547 I548 E553 R554 V555 R685	D547-S551 VanDerWaalsContact O-CB 3.23Å; D547-S551 WeakPolarHBondContact O-CB 3.41Å; D547-S551 PolarHBondContact O-N 3.45Å; D547-S551 PolarHBondContact O-OG 2.79Å; I548-S551 PolarHBondContact O-N 2.99Å; S551-E553 VanDerWaalsContact C-N 3.29Å; S551-E553 PolarHBondContact O-N 2.97Å; S551-R554 WeakPolarHBondContact O-CB 3.48Å; S551-R554 PolarHBondContact O-N 3.18Å; S551-V555 WeakPolarHBondContact O-CG2 3.49Å; S551-V555 PolarHBondContact O-N 3.18Å; S551-R685 PolarHBondContact OG-NH1 3.03Å; S551-R685 PolarHBondContact OG-NH2 3.21Å
552	A	86.4	Confident	83.7	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-57.8	-40.3	-176	0	0	0	0	0	112.4	I548 R554 V555 R556 L578 V581 R582	I548-A552 HydrophobicContact CD1-CB 3.96Å; I548-A552 HydrophobicContact CG1-CB 4.15Å; I548-A552 WeakPolarHBondContact O-CB 3.48Å; I548-A552 PolarHBondContact O-N 2.83Å; A552-R554 PolarHBondContact O-N 3.13Å; A552-V555 PolarHBondContact O-N 3.37Å; A552-R556 VanDerWaalsContact O-CB 3.26Å; A552-R556 WeakPolarHBondContact O-CB 3.3Å; A552-R556 PolarHBondContact O-N 2.89Å; A552-L578 HydrophobicContact CB-CD1 3.63Å; A552-V581 HydrophobicContact CB-CG1 4.18Å; A552-R582 HydrophobicContact CB-CG 3.87Å
553	E	86.2	Confident	83.6	Confident	108 Å²	108	35.3 Å²	35.3	51%	0.505	18%	0.181	S	C	.	.	H	α-helix	trans	-62.2	-41.3	176.2	-69.1	-179.5	177	0	0	112.1	S551 R556 D557 L578	S551-E553 VanDerWaalsContact C-N 3.29Å; S551-E553 PolarHBondContact O-N 2.97Å; E553-R556 WeakPolarHBondContact O-CB 3.35Å; E553-R556 PolarHBondContact O-N 2.98Å; E553-R556 PolarHBondContact O-NE 3.37Å; E553-R556 PolarHBondContact O-NH2 2.84Å; E553-D557 WeakPolarHBondContact O-CB 3.18Å; E553-D557 PolarHBondContact O-N 3.05Å; E553-D557 VanDerWaalsContact O-OD2 3.09Å; E553-L578 HydrophobicContact CG-CD1 4.29Å
554	R	81.6	Confident	83.7	Confident	75 Å²	75	35.1 Å²	35.1	28%	0.283	18%	0.178	S	C	.	.	H	α-helix	trans	-66	-42	177.7	-60.1	-168.6	-168	81.5	12.6	111.9	Q550 S551 A552 D557 Q558 I677 E680	Q550-R554 PolarHBondContact O-NH1 2.83Å; S551-R554 WeakPolarHBondContact O-CB 3.48Å; S551-R554 PolarHBondContact O-N 3.18Å; A552-R554 PolarHBondContact O-N 3.13Å; R554-D557 PolarHBondContact O-N 2.99Å; R554-Q558 PolarHBondContact O-N 3.2Å; R554-I677 HydrophobicContact CB-CD1 4.26Å; R554-I677 HydrophobicContact CB-CG1 4.39Å; R554-I677 WeakPolarHBondContact O-CD1 3.15Å; R554-E680 IonicContact NE-OE2 3.07Å
555	V	87.3	Confident	83.5	Confident	3 Å²	3	34.3 Å²	34.3	2%	0.018	18%	0.175	C	C	.	.	H	α-helix	trans	-68.4	-41.2	178.1	178.7	0	0	0	0	110.4	P541 F542 I545 S551 A552 D557 Q558 L559 V581	P541-V555 HydrophobicContact CB-CG1 3.93Å; F542-V555 HydrophobicContact CE1-CG1 4.07Å; F542-V555 HydrophobicContact CZ-CG1 4.11Å; I545-V555 HydrophobicContact CD1-CG2 3.52Å; I545-V555 HydrophobicContact CG1-CG2 4.28Å; S551-V555 WeakPolarHBondContact O-CG2 3.49Å; S551-V555 PolarHBondContact O-N 3.18Å; A552-V555 PolarHBondContact O-N 3.37Å; V555-D557 VanDerWaalsContact C-N 3.31Å; V555-D557 PolarHBondContact O-N 2.89Å; V555-Q558 WeakPolarHBondContact O-CB 3.41Å; V555-Q558 PolarHBondContact O-N 3.36Å; V555-L559 HydrophobicContact CG1-CD1 4.32Å; V555-L559 WeakPolarHBondContact O-CG 3.35Å; V555-L559 PolarHBondContact O-N 3.44Å; V555-V581 HydrophobicContact CB-CG1 3.8Å; V555-V581 HydrophobicContact CG1-CG1 3.7Å; V555-V581 HydrophobicContact CG1-CG2 3.95Å
556	R	90.1	Very high	83.1	Confident	33 Å²	33	40.1 Å²	40.1	13%	0.125	21%	0.207	C	C	.	.	H	α-helix	trans	-56.6	-47	169.7	171.4	-138	59.2	-160.4	-8.9	110.5	A552 E553 Q558 L559 S560 E574 L577 L578 V581	A552-R556 VanDerWaalsContact O-CB 3.26Å; A552-R556 WeakPolarHBondContact O-CB 3.3Å; A552-R556 PolarHBondContact O-N 2.89Å; E553-R556 WeakPolarHBondContact O-CB 3.35Å; E553-R556 PolarHBondContact O-N 2.98Å; E553-R556 PolarHBondContact O-NE 3.37Å; E553-R556 PolarHBondContact O-NH2 2.84Å; R556-Q558 VanDerWaalsContact C-N 3.29Å; R556-Q558 PolarHBondContact O-N 3.13Å; R556-L559 PolarHBondContact O-N 2.8Å; R556-S560 VanDerWaalsContact O-CB 3.23Å; R556-S560 WeakPolarHBondContact O-CB 3.5Å; R556-S560 PolarHBondContact O-N 2.86Å; R556-E574 VanDerWaalsContact CD-O 3.23Å; R556-E574 WeakPolarHBondContact CD-O 3.32Å; R556-E574 WeakPolarHBondContact CG-O 3.26Å; R556-L577 HydrophobicContact CG-CB 4.07Å; R556-L577 HydrophobicContact CG-CD2 4.13Å; R556-L577 HydrophobicContact CG-CG 4.13Å; R556-L577 WeakPolarHBondContact O-CD2 3.48Å; R556-L578 HydrophobicContact CB-CB 4.49Å; R556-L578 HydrophobicContact CB-CD1 4.22Å; R556-L578 HydrophobicContact CG-CB 4.23Å; R556-V581 HydrophobicContact CB-CG2 4.46Å
557	D	83.8	Confident	82.7	Confident	33 Å²	33	37.2 Å²	37.2	18%	0.176	20%	0.199	C	C	.	.	H	α-helix	trans	-62.7	-38	178.4	-70.6	-33.1	0	0	0	112.5	E553 R554 V555 S560 V561 F673 K709	E553-D557 WeakPolarHBondContact O-CB 3.18Å; E553-D557 PolarHBondContact O-N 3.05Å; E553-D557 VanDerWaalsContact O-OD2 3.09Å; R554-D557 PolarHBondContact O-N 2.99Å; V555-D557 VanDerWaalsContact C-N 3.31Å; V555-D557 PolarHBondContact O-N 2.89Å; D557-S560 PolarHBondContact O-N 3.47Å; D557-V561 WeakPolarHBondContact O-CG2 3.4Å; D557-V561 PolarHBondContact O-N 3.13Å; D557-F673 HydrophobicContact CB-CE1 3.89Å; D557-F673 HydrophobicContact CB-CZ 3.63Å; D557-K709 IonicContact OD1-NZ 3.64Å; D557-K709 PolarHBondContact OD1-NZ 3.39Å
558	Q	84.5	Confident	82.3	Confident	7 Å²	7	40.6 Å²	40.6	3%	0.033	22%	0.217	C	C	.	.	H	α-helix	trans	-60.3	-52.5	174.4	-173.2	179.8	11	0	0	111.3	R554 V555 R556 S560 V561 M562 F673 S674 I677	R554-Q558 PolarHBondContact O-N 3.2Å; V555-Q558 WeakPolarHBondContact O-CB 3.41Å; V555-Q558 PolarHBondContact O-N 3.36Å; R556-Q558 VanDerWaalsContact C-N 3.29Å; R556-Q558 PolarHBondContact O-N 3.13Å; Q558-S560 VanDerWaalsContact C-N 3.27Å; Q558-S560 PolarHBondContact O-N 2.98Å; Q558-V561 PolarHBondContact O-N 3.2Å; Q558-M562 HydrophobicContact CG-SD 3.89Å; Q558-M562 WeakPolarHBondContact O-CB 3.4Å; Q558-M562 WeakPolarHBondContact O-CG 3.46Å; Q558-M562 PolarHBondContact O-N 2.98Å; Q558-F673 HydrophobicContact CB-CD1 3.63Å; Q558-F673 HydrophobicContact CB-CE1 3.81Å; Q558-F673 HydrophobicContact CG-CD1 3.89Å; Q558-S674 VanDerWaalsContact NE2-CB 3.33Å; Q558-S674 PolarHBondContact NE2-OG 2.59Å; Q558-I677 HydrophobicContact CB-CD1 3.63Å; Q558-I677 HydrophobicContact CG-CD1 4.06Å
559	L	89.4	Confident	82.3	Confident	0 Å²	0	41 Å²	41	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-64.8	-34.1	179	-65.5	177.9	0	0	0	111.6	P541 V555 R556 M562 A563 L577 V581 I594 V597 L627	P541-L559 HydrophobicContact CG-CD2 4.21Å; V555-L559 HydrophobicContact CG1-CD1 4.32Å; V555-L559 WeakPolarHBondContact O-CG 3.35Å; V555-L559 PolarHBondContact O-N 3.44Å; R556-L559 PolarHBondContact O-N 2.8Å; L559-M562 HydrophobicContact CD2-SD 4.12Å; L559-M562 PolarHBondContact O-N 3.36Å; L559-A563 VanDerWaalsContact O-CB 3.22Å; L559-A563 WeakPolarHBondContact O-CB 3.34Å; L559-A563 PolarHBondContact O-N 2.98Å; L559-L577 HydrophobicContact CB-CD1 4.16Å; L559-L577 HydrophobicContact CB-CD2 3.79Å; L559-L577 HydrophobicContact CB-CG 4.24Å; L559-L577 HydrophobicContact CD1-CD1 4.28Å; L559-V581 HydrophobicContact CD1-CG2 3.59Å; L559-I594 HydrophobicContact CD2-CD1 4.19Å; L559-I594 HydrophobicContact CD2-CG1 4.06Å; L559-V597 HydrophobicContact CD1-CB 4.44Å; L559-V597 HydrophobicContact CD1-CG1 4.03Å; L559-V597 HydrophobicContact CD1-CG2 3.93Å; L559-L627 HydrophobicContact CB-CD2 4.24Å; L559-L627 HydrophobicContact CD2-CD2 4.29Å
560	S	87.8	Confident	82.6	Confident	5 Å²	5	38.4 Å²	38.4	4%	0.035	21%	0.205	C	C	.	.	H	α-helix	trans	-64.1	-45.8	175	173.1	0	0	0	0	111.5	R556 D557 Q558 A563 S564	R556-S560 VanDerWaalsContact O-CB 3.23Å; R556-S560 WeakPolarHBondContact O-CB 3.5Å; R556-S560 PolarHBondContact O-N 2.86Å; D557-S560 PolarHBondContact O-N 3.47Å; Q558-S560 VanDerWaalsContact C-N 3.27Å; Q558-S560 PolarHBondContact O-N 2.98Å; S560-A563 PolarHBondContact O-N 3.17Å; S560-S564 PolarHBondContact O-N 3.09Å
561	V	82.3	Confident	83	Confident	3 Å²	3	41 Å²	41	2%	0.018	22%	0.218	C	C	.	.	H	α-helix	trans	-68.7	-36.3	175.8	170.5	0	0	0	0	112	D557 Q558 S564 P565 V669 F673 K709	D557-V561 WeakPolarHBondContact O-CG2 3.4Å; D557-V561 PolarHBondContact O-N 3.13Å; Q558-V561 PolarHBondContact O-N 3.2Å; V561-S564 CarbonylContact O-C 3.54Å; V561-S564 VanDerWaalsContact O-C 3.26Å; V561-P565 VanDerWaalsContact O-CA 3.26Å; V561-P565 WeakPolarHBondContact O-CA 3.31Å; V561-P565 VanDerWaalsContact O-CD 3.3Å; V561-P565 WeakPolarHBondContact O-CD 3.3Å; V561-P565 WeakPolarHBondContact O-CG 3.34Å; V561-V669 HydrophobicContact CG1-CG1 3.59Å; V561-F673 HydrophobicContact CB-CD2 4.04Å; V561-F673 HydrophobicContact CB-CE2 4.43Å; V561-F673 HydrophobicContact CB-CG 4.19Å; V561-F673 HydrophobicContact CG1-CB 4.16Å; V561-F673 HydrophobicContact CG1-CD2 3.98Å; V561-F673 HydrophobicContact CG1-CG 4.18Å; V561-F673 HydrophobicContact CG2-CD2 3.76Å; V561-F673 HydrophobicContact CG2-CE2 3.71Å; V561-F673 HydrophobicContact CG2-CG 4.35Å; V561-F673 HydrophobicContact CG2-CZ 4.26Å; V561-K709 HydrophobicContact CG2-CD 3.92Å
562	M	85.6	Confident	83.4	Confident	0 Å²	0	44 Å²	44	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-63.9	-48.9	174.1	-71.8	172.7	68.4	0	0	110.9	Q558 L559 I594 Y630 F640 A670	Q558-M562 HydrophobicContact CG-SD 3.89Å; Q558-M562 WeakPolarHBondContact O-CB 3.4Å; Q558-M562 WeakPolarHBondContact O-CG 3.46Å; Q558-M562 PolarHBondContact O-N 2.98Å; L559-M562 HydrophobicContact CD2-SD 4.12Å; L559-M562 PolarHBondContact O-N 3.36Å; M562-I594 HydrophobicContact CE-CD1 3.59Å; M562-Y630 HydrophobicContact CB-CD2 4.17Å; M562-Y630 HydrophobicContact CB-CE1 4.44Å; M562-Y630 HydrophobicContact CB-CE2 3.77Å; M562-Y630 HydrophobicContact CE-CD1 3.27Å; M562-Y630 HydrophobicContact CE-CD2 4.03Å; M562-Y630 HydrophobicContact CE-CE1 3.72Å; M562-Y630 HydrophobicContact CE-CE2 4.41Å; M562-Y630 HydrophobicContact CE-CG 3.44Å; M562-Y630 VanDerWaalsContact CE-CG 3.44Å; M562-Y630 WeakPolarHBondContact O-CE2 3.31Å; M562-Y630 PolarHBondContact O-OH 3.44Å; M562-Y630 VanDerWaalsContact O-OH 3.07Å; M562-F640 HydrophobicContact CE-CB 3.59Å; M562-F640 HydrophobicContact CE-CD1 3.75Å; M562-F640 HydrophobicContact CE-CD2 3.82Å; M562-F640 HydrophobicContact CE-CE1 4.38Å; M562-F640 HydrophobicContact CE-CE2 4.41Å; M562-F640 HydrophobicContact CE-CG 3.44Å; M562-F640 VanDerWaalsContact CE-CG 3.44Å; M562-F640 HydrophobicContact SD-CD1 4.19Å; M562-F640 HydrophobicContact SD-CG 4.46Å; M562-A670 HydrophobicContact CG-CB 3.78Å
563	A	87.4	Confident	83.7	Confident	3 Å²	3	44.2 Å²	44.2	3%	0.025	24%	0.237	C	C	.	.	H	α-helix	trans	-63.1	-42.6	177.2	0	0	0	0	0	111.8	L559 S560 L569 L626 L627	L559-A563 VanDerWaalsContact O-CB 3.22Å; L559-A563 WeakPolarHBondContact O-CB 3.34Å; L559-A563 PolarHBondContact O-N 2.98Å; S560-A563 PolarHBondContact O-N 3.17Å; A563-L569 HydrophobicContact CB-CD1 3.89Å; A563-L626 HydrophobicContact CB-CB 3.82Å; A563-L626 HydrophobicContact CB-CD1 4.45Å; A563-L626 WeakPolarHBondContact O-CB 3.31Å; A563-L626 WeakPolarHBondContact O-CD1 3.39Å; A563-L626 WeakPolarHBondContact O-CD2 3.11Å; A563-L627 HydrophobicContact CB-CD2 3.85Å; A563-L627 HydrophobicContact CB-CG 4Å
564	S	84	Confident	83.9	Confident	11 Å²	11	41 Å²	41	8%	0.077	22%	0.221	C	C	.	.			trans	-139	87.9	-179	-164.6	0	0	0	0	112.5	S560 V561 N566 G567 N568	S560-S564 PolarHBondContact O-N 3.09Å; V561-S564 CarbonylContact O-C 3.54Å; V561-S564 VanDerWaalsContact O-C 3.26Å; S564-N566 PolarHBondContact O-N 2.98Å; S564-N566 VanDerWaalsContact O-N 3.09Å; S564-G567 PolarHBondContact O-N 3.18Å; S564-N568 WeakPolarHBondContact OG-CB 3.15Å; S564-N568 PolarHBondContact OG-N 3.5Å; S564-N568 VanDerWaalsContact OG-N 3.09Å
565	P	72	Confident	84.5	Confident	26 Å²	26	39.1 Å²	39.1	17%	0.169	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-24.1	179.6	-28.1	35.5	0	0	0	114.8	V561 V669 N707	V561-P565 VanDerWaalsContact O-CA 3.26Å; V561-P565 WeakPolarHBondContact O-CA 3.31Å; V561-P565 VanDerWaalsContact O-CD 3.3Å; V561-P565 WeakPolarHBondContact O-CD 3.3Å; V561-P565 WeakPolarHBondContact O-CG 3.34Å; P565-V669 HydrophobicContact CB-CB 4.33Å; P565-V669 HydrophobicContact CB-CG1 4.03Å; P565-N707 PolarHBondContact O-ND2 3.48Å
566	N	70.5	Confident	84.8	Confident	130 Å²	130	39.5 Å²	39.5	70%	0.695	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-4.4	177.8	-67.7	-30.2	0	0	0	113.5	S564	S564-N566 PolarHBondContact O-N 2.98Å; S564-N566 VanDerWaalsContact O-N 3.09Å
567	G	69.6	Low	85	Confident	51 Å²	51	38 Å²	38	53%	0.526	22%	0.221	S	C	.	.			trans	82.6	34.8	175.6	0	0	0	0	0	115.1	S564 L569	S564-G567 PolarHBondContact O-N 3.18Å; G567-L569 VanDerWaalsContact C-N 3.33Å; G567-L569 PolarHBondContact O-N 2.98Å
568	N	72.6	Confident	85.5	Confident	123 Å²	123	37.8 Å²	37.8	66%	0.658	22%	0.22	S	C	*	.			trans	-85.4	1.3	-176.9	-60.3	-15.9	0	0	0	114.5	S564	S564-N568 WeakPolarHBondContact OG-CB 3.15Å; S564-N568 PolarHBondContact OG-N 3.5Å; S564-N568 VanDerWaalsContact OG-N 3.09Å
569	L	83.7	Confident	85.9	Confident	18 Å²	18	42.1 Å²	42.1	9%	0.094	24%	0.241	C	C	.	.			trans	-87.5	124.3	179.1	-63.4	179.7	0	0	0	110.3	A563 G567 H573 M623 L626	A563-L569 HydrophobicContact CB-CD1 3.89Å; G567-L569 VanDerWaalsContact C-N 3.33Å; G567-L569 PolarHBondContact O-N 2.98Å; L569-H573 HydrophobicContact CB-CB 3.87Å; L569-H573 HydrophobicContact CD2-CB 4.08Å; L569-H573 HydrophobicContact CG-CB 4.42Å; L569-M623 HydrophobicContact CD2-CG 4.31Å; L569-L626 HydrophobicContact CD2-CD1 4.49Å
570	D	88	Confident	86.2	Confident	57 Å²	57	42.1 Å²	42.1	31%	0.305	24%	0.241	S	C	.	.			trans	-80.4	174.5	178.3	72	17.4	0	0	0	113.2	V572 H573 E574 R619	D570-V572 PolarHBondContact O-N 3.33Å; D570-V572 VanDerWaalsContact O-N 3.12Å; D570-V572 WeakPolarHBondContact OD1-CA 3.35Å; D570-V572 WeakPolarHBondContact OD1-CB 3.2Å; D570-V572 PolarHBondContact OD1-N 3.28Å; D570-H573 PolarHBondContact N-ND1 3.32Å; D570-H573 WeakPolarHBondContact O-CB 3.37Å; D570-H573 PolarHBondContact O-N 3.25Å; D570-H573 VanDerWaalsContact O-N 3.09Å; D570-H573 IonicContact OD1-CE1 2.9Å; D570-H573 IonicContact OD1-CG 3.96Å; D570-H573 PolarHBondContact OD1-N 2.83Å; D570-H573 IonicContact OD1-ND1 3.05Å; D570-H573 PolarHBondContact OD1-ND1 3.24Å; D570-H573 IonicContact OD2-CE1 2.67Å; D570-H573 IonicContact OD2-ND1 3.4Å; D570-E574 PolarHBondContact O-N 3.23Å; D570-R619 IonicContact OD1-NE 2.68Å; D570-R619 PolarHBondContact OD1-NE 3.18Å; D570-R619 IonicContact OD2-CZ 3.64Å; D570-R619 IonicContact OD2-NE 2.97Å; D570-R619 PolarHBondContact OD2-NE 2.9Å; D570-R619 IonicContact OD2-NH2 2.82Å; D570-R619 PolarHBondContact OD2-NH2 3.26Å
571	E	88.3	Confident	86.5	Confident	171 Å²	171	41.9 Å²	41.9	80%	0.799	24%	0.239	S	C	*	.	H	α-helix	trans	-57	-28.1	179.9	-63.8	179.5	179.5	0	0	113.4	E574 G575	E571-E574 PolarHBondContact O-N 3.24Å; E571-G575 PolarHBondContact O-N 3.37Å
572	V	89.9	Confident	87.1	Confident	66 Å²	66	46.5 Å²	46.5	40%	0.4	26%	0.256	S	S	.	.	H	α-helix	trans	-74.4	-42.7	178.6	-176.7	0	0	0	0	110.3	D570 E574 G575 L576	D570-V572 PolarHBondContact O-N 3.33Å; D570-V572 VanDerWaalsContact O-N 3.12Å; D570-V572 WeakPolarHBondContact OD1-CA 3.35Å; D570-V572 WeakPolarHBondContact OD1-CB 3.2Å; D570-V572 PolarHBondContact OD1-N 3.28Å; V572-E574 VanDerWaalsContact C-N 3.28Å; V572-E574 PolarHBondContact O-N 3.37Å; V572-G575 PolarHBondContact O-N 2.98Å; V572-L576 HydrophobicContact CG1-CD1 4.29Å; V572-L576 WeakPolarHBondContact O-CG 3.31Å; V572-L576 PolarHBondContact O-N 3.19Å
573	H	93.4	Very high	87.5	Confident	6 Å²	6	48 Å²	48	3%	0.028	27%	0.268	C	S	.	.	H	α-helix	trans	-56.9	-46.2	170.8	-65.6	91	0	0	0	110.7	L569 D570 G575 L576 L577 R619 E622 M623	L569-H573 HydrophobicContact CB-CB 3.87Å; L569-H573 HydrophobicContact CD2-CB 4.08Å; L569-H573 HydrophobicContact CG-CB 4.42Å; D570-H573 PolarHBondContact N-ND1 3.32Å; D570-H573 WeakPolarHBondContact O-CB 3.37Å; D570-H573 PolarHBondContact O-N 3.25Å; D570-H573 VanDerWaalsContact O-N 3.09Å; D570-H573 IonicContact OD1-CE1 2.9Å; D570-H573 IonicContact OD1-CG 3.96Å; D570-H573 PolarHBondContact OD1-N 2.83Å; D570-H573 IonicContact OD1-ND1 3.05Å; D570-H573 PolarHBondContact OD1-ND1 3.24Å; D570-H573 IonicContact OD2-CE1 2.67Å; D570-H573 IonicContact OD2-ND1 3.4Å; H573-G575 VanDerWaalsContact C-N 3.34Å; H573-G575 PolarHBondContact O-N 3.17Å; H573-L576 PolarHBondContact O-N 3Å; H573-L577 VanDerWaalsContact O-CB 3.27Å; H573-L577 WeakPolarHBondContact O-CB 3.48Å; H573-L577 PolarHBondContact O-N 3.29Å; H573-R619 VanDerWaalsContact CE1-CG 3.41Å; H573-R619 WeakPolarHBondContact CE1-CG 3.13Å; H573-R619 WeakPolarHBondContact NE2-CB 3.41Å; H573-R619 VanDerWaalsContact NE2-CG 3.31Å; H573-R619 WeakPolarHBondContact NE2-CG 3.4Å; H573-E622 IonicContact NE2-OE2 2.81Å; H573-E622 PolarHBondContact NE2-OE2 2.98Å; H573-M623 HydrophobicContact CB-SD 3.95Å
574	E	91	Very high	87.8	Confident	40 Å²	40	48 Å²	48	19%	0.187	27%	0.268	C	S	.	.	H	α-helix	trans	-61.8	-39.7	178.8	-72.6	-165.2	164.8	0	0	112.8	R556 D570 E571 V572 L578 K709	R556-E574 VanDerWaalsContact CD-O 3.23Å; R556-E574 WeakPolarHBondContact CD-O 3.32Å; R556-E574 WeakPolarHBondContact CG-O 3.26Å; D570-E574 PolarHBondContact O-N 3.23Å; E571-E574 PolarHBondContact O-N 3.24Å; V572-E574 VanDerWaalsContact C-N 3.28Å; V572-E574 PolarHBondContact O-N 3.37Å; E574-L578 WeakPolarHBondContact O-CB 3.38Å; E574-L578 PolarHBondContact O-N 2.89Å; E574-K709 IonicContact OE1-NZ 3.43Å; E574-K709 PolarHBondContact OE1-NZ 2.73Å
575	G	93.1	Very high	88.2	Confident	35 Å²	35	49.3 Å²	49.3	36%	0.361	27%	0.271	S	S	.	.	H	α-helix	trans	-63.9	-44.3	175.3	0	0	0	0	0	113.4	E571 V572 H573 L578 Q579	E571-G575 PolarHBondContact O-N 3.37Å; V572-G575 PolarHBondContact O-N 2.98Å; H573-G575 VanDerWaalsContact C-N 3.34Å; H573-G575 PolarHBondContact O-N 3.17Å; G575-L578 PolarHBondContact O-N 3.41Å; G575-Q579 PolarHBondContact O-N 3.1Å
576	L	93	Very high	89.2	Confident	12 Å²	12	54.1 Å²	54.1	6%	0.063	30%	0.295	C	S	.	.	H	α-helix	trans	-66.4	-43.2	177	-68.9	166.6	0	0	0	111.6	V572 H573 L578 Q579 A580 I616 L620 M623	V572-L576 HydrophobicContact CG1-CD1 4.29Å; V572-L576 WeakPolarHBondContact O-CG 3.31Å; V572-L576 PolarHBondContact O-N 3.19Å; H573-L576 PolarHBondContact O-N 3Å; L576-L578 VanDerWaalsContact C-N 3.3Å; L576-L578 PolarHBondContact O-N 3.47Å; L576-Q579 WeakPolarHBondContact O-CB 3.24Å; L576-Q579 PolarHBondContact O-N 3.33Å; L576-A580 PolarHBondContact O-N 3.41Å; L576-A580 VanDerWaalsContact O-N 3.09Å; L576-I616 HydrophobicContact CD1-CG2 4Å; L576-I616 HydrophobicContact CD2-CG2 4.28Å; L576-L620 HydrophobicContact CB-CD2 4.34Å; L576-L620 HydrophobicContact CD1-CD2 3.97Å; L576-L620 HydrophobicContact CD1-CG 4.17Å; L576-L620 HydrophobicContact CD2-CD2 4.35Å; L576-L620 HydrophobicContact CG-CD2 4.45Å; L576-M623 HydrophobicContact CB-CE 3.82Å; L576-M623 HydrophobicContact CD1-CE 4.04Å
577	L	94.5	Very high	90.3	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-64.7	-36	178	-168.8	61.8	0	0	0	111.6	R556 L559 H573 A580 V581 V597 L601 M623 L627	R556-L577 HydrophobicContact CG-CB 4.07Å; R556-L577 HydrophobicContact CG-CD2 4.13Å; R556-L577 HydrophobicContact CG-CG 4.13Å; R556-L577 WeakPolarHBondContact O-CD2 3.48Å; L559-L577 HydrophobicContact CB-CD1 4.16Å; L559-L577 HydrophobicContact CB-CD2 3.79Å; L559-L577 HydrophobicContact CB-CG 4.24Å; L559-L577 HydrophobicContact CD1-CD1 4.28Å; H573-L577 VanDerWaalsContact O-CB 3.27Å; H573-L577 WeakPolarHBondContact O-CB 3.48Å; H573-L577 PolarHBondContact O-N 3.29Å; L577-A580 PolarHBondContact O-N 3.42Å; L577-V581 VanDerWaalsContact O-CG2 3.29Å; L577-V581 WeakPolarHBondContact O-CG2 3.39Å; L577-V581 PolarHBondContact O-N 2.85Å; L577-V597 HydrophobicContact CD1-CG1 3.92Å; L577-L601 HydrophobicContact CD1-CD1 4.38Å; L577-M623 HydrophobicContact CB-SD 4.11Å; L577-M623 HydrophobicContact CD1-SD 4.49Å; L577-L627 HydrophobicContact CD1-CD1 3.81Å
578	L	94.4	Very high	91.4	Very high	30 Å²	30	54 Å²	54	16%	0.157	29%	0.289	C	S	.	.	H	α-helix	trans	-63.3	-40.6	174.8	-175.7	62.3	0	0	0	112.3	A552 E553 R556 E574 G575 L576 R582	A552-L578 HydrophobicContact CB-CD1 3.63Å; E553-L578 HydrophobicContact CG-CD1 4.29Å; R556-L578 HydrophobicContact CB-CB 4.49Å; R556-L578 HydrophobicContact CB-CD1 4.22Å; R556-L578 HydrophobicContact CG-CB 4.23Å; E574-L578 WeakPolarHBondContact O-CB 3.38Å; E574-L578 PolarHBondContact O-N 2.89Å; G575-L578 PolarHBondContact O-N 3.41Å; L576-L578 VanDerWaalsContact C-N 3.3Å; L576-L578 PolarHBondContact O-N 3.47Å; L578-R582 WeakPolarHBondContact O-CG 3.36Å; L578-R582 PolarHBondContact O-N 3.17Å; L578-R582 VanDerWaalsContact O-N 3.09Å
579	Q	93.5	Very high	92.3	Very high	98 Å²	98	54.4 Å²	54.4	46%	0.458	29%	0.285	S	S	.	.	H	α-helix	trans	-61.8	-45.5	174.3	-69	179.2	-3.9	0	0	111	G575 L576 R582 A583 F600	G575-Q579 PolarHBondContact O-N 3.1Å; L576-Q579 WeakPolarHBondContact O-CB 3.24Å; L576-Q579 PolarHBondContact O-N 3.33Å; Q579-R582 PolarHBondContact O-N 3.08Å; Q579-A583 WeakPolarHBondContact O-CB 3.49Å; Q579-A583 PolarHBondContact O-N 2.97Å; Q579-F600 HydrophobicContact CB-CE1 4.24Å; Q579-F600 HydrophobicContact CB-CZ 4.42Å
580	A	95.2	Very high	92.5	Very high	0 Å²	0	57 Å²	57	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-60.4	-48.6	178.3	0	0	0	0	0	111.7	L576 L577 R582 A583 S584 V597 F600 L601	L576-A580 PolarHBondContact O-N 3.41Å; L576-A580 VanDerWaalsContact O-N 3.09Å; L577-A580 PolarHBondContact O-N 3.42Å; A580-R582 PolarHBondContact O-N 3.22Å; A580-A583 PolarHBondContact O-N 3.32Å; A580-S584 WeakPolarHBondContact O-CB 3.11Å; A580-S584 PolarHBondContact O-N 3.03Å; A580-S584 PolarHBondContact O-OG 2.78Å; A580-V597 HydrophobicContact CB-CG1 3.76Å; A580-F600 HydrophobicContact CB-CB 4.28Å; A580-F600 HydrophobicContact CB-CD1 3.4Å; A580-F600 HydrophobicContact CB-CE1 4.01Å; A580-F600 HydrophobicContact CB-CG 4.08Å; A580-L601 HydrophobicContact CB-CD2 3.91Å; A580-L601 HydrophobicContact CB-CG 4.13Å
581	V	94.8	Very high	92.6	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-56.4	-47.2	177	166.2	0	0	0	0	112.2	F542 I548 A552 V555 R556 L559 L577 W585	F542-V581 HydrophobicContact CE1-CG1 4.02Å; F542-V581 HydrophobicContact CZ-CG1 4.48Å; I548-V581 HydrophobicContact CD1-CG1 4.33Å; A552-V581 HydrophobicContact CB-CG1 4.18Å; V555-V581 HydrophobicContact CB-CG1 3.8Å; V555-V581 HydrophobicContact CG1-CG1 3.7Å; V555-V581 HydrophobicContact CG1-CG2 3.95Å; R556-V581 HydrophobicContact CB-CG2 4.46Å; L559-V581 HydrophobicContact CD1-CG2 3.59Å; L577-V581 VanDerWaalsContact O-CG2 3.29Å; L577-V581 WeakPolarHBondContact O-CG2 3.39Å; L577-V581 PolarHBondContact O-N 2.85Å; V581-W585 PolarHBondContact O-N 2.8Å
582	R	94.7	Very high	92.9	Very high	100 Å²	100	55.5 Å²	55.5	38%	0.377	28%	0.282	S	S	.	.	H	α-helix	trans	-63.9	-43.6	178.9	-75.2	-177.8	175.2	-178.9	-0.2	111.5	I548 A552 L578 Q579 A580 W585 L586	I548-R582 HydrophobicContact CG1-CG 4.4Å; A552-R582 HydrophobicContact CB-CG 3.87Å; L578-R582 WeakPolarHBondContact O-CG 3.36Å; L578-R582 PolarHBondContact O-N 3.17Å; L578-R582 VanDerWaalsContact O-N 3.09Å; Q579-R582 PolarHBondContact O-N 3.08Å; A580-R582 PolarHBondContact O-N 3.22Å; R582-W585 PolarHBondContact O-N 3.15Å; R582-L586 WeakPolarHBondContact O-CB 3.28Å; R582-L586 VanDerWaalsContact O-CG 3.28Å; R582-L586 WeakPolarHBondContact O-CG 3.37Å; R582-L586 PolarHBondContact O-N 2.99Å
583	A	93.3	Very high	93	Very high	31 Å²	31	55.4 Å²	55.4	26%	0.256	27%	0.274	S	S	.	.	H	α-helix	trans	-64	-46.3	178.8	0	0	0	0	0	112	Q579 A580 W585 L586 A587 F600	Q579-A583 WeakPolarHBondContact O-CB 3.49Å; Q579-A583 PolarHBondContact O-N 2.97Å; A580-A583 PolarHBondContact O-N 3.32Å; A583-W585 VanDerWaalsContact C-N 3.34Å; A583-W585 PolarHBondContact O-N 3.14Å; A583-L586 PolarHBondContact O-N 3Å; A583-A587 WeakPolarHBondContact O-CB 3.27Å; A583-A587 PolarHBondContact O-N 3.26Å; A583-F600 HydrophobicContact CB-CD2 3.47Å; A583-F600 VanDerWaalsContact CB-CD2 3.47Å; A583-F600 HydrophobicContact CB-CE2 3.38Å; A583-F600 HydrophobicContact CB-CG 4.26Å; A583-F600 HydrophobicContact CB-CZ 4.11Å
584	S	94.9	Very high	93	Very high	4 Å²	4	55.1 Å²	55.1	3%	0.028	27%	0.273	C	S	.	.	H	α-helix	trans	-59.9	-43.7	177.5	-53.9	0	0	0	0	111.4	A580 A587 K588 A592 D596 V597	A580-S584 WeakPolarHBondContact O-CB 3.11Å; A580-S584 PolarHBondContact O-N 3.03Å; A580-S584 PolarHBondContact O-OG 2.78Å; S584-A587 PolarHBondContact O-N 2.96Å; S584-K588 PolarHBondContact O-N 3.31Å; S584-A592 WeakPolarHBondContact O-CB 3.28Å; S584-D596 VanDerWaalsContact OG-C 3.26Å; S584-D596 PolarHBondContact OG-O 2.67Å; S584-V597 WeakPolarHBondContact OG-CA 3.04Å; S584-V597 WeakPolarHBondContact OG-CG2 3.37Å; S584-V597 PolarHBondContact OG-N 3.11Å
585	W	92.6	Very high	93.2	Very high	37 Å²	37	54.4 Å²	54.4	14%	0.14	27%	0.27	C	S	.	.	H	α-helix	trans	-68.9	-40.3	176.6	-175.3	90.3	0	0	0	113.1	F542 I548 V581 R582 A583 A587 K588 K589	F542-W585 HydrophobicContact CD1-CB 4.1Å; F542-W585 HydrophobicContact CE1-CB 4.17Å; I548-W585 HydrophobicContact CB-CD2 3.46Å; I548-W585 VanDerWaalsContact CB-CD2 3.46Å; I548-W585 HydrophobicContact CB-CE3 3.39Å; I548-W585 HydrophobicContact CB-CG 4.03Å; I548-W585 HydrophobicContact CB-CH2 3.94Å; I548-W585 HydrophobicContact CB-CZ2 4.02Å; I548-W585 HydrophobicContact CB-CZ3 3.65Å; I548-W585 HydrophobicContact CD1-CB 3.57Å; I548-W585 HydrophobicContact CD1-CD2 3.99Å; I548-W585 HydrophobicContact CD1-CG 3.56Å; I548-W585 HydrophobicContact CG1-CB 3.88Å; I548-W585 HydrophobicContact CG1-CD2 3.71Å; I548-W585 HydrophobicContact CG1-CE3 3.75Å; I548-W585 HydrophobicContact CG1-CG 3.78Å; I548-W585 HydrophobicContact CG1-CZ3 4.46Å; I548-W585 HydrophobicContact CG2-CD2 4.04Å; I548-W585 HydrophobicContact CG2-CE3 3.39Å; I548-W585 HydrophobicContact CG2-CH2 3.78Å; I548-W585 HydrophobicContact CG2-CZ2 4.39Å; I548-W585 HydrophobicContact CG2-CZ3 3.25Å; V581-W585 PolarHBondContact O-N 2.8Å; R582-W585 PolarHBondContact O-N 3.15Å; A583-W585 VanDerWaalsContact C-N 3.34Å; A583-W585 PolarHBondContact O-N 3.14Å; W585-A587 PolarHBondContact O-N 2.88Å; W585-K588 PolarHBondContact O-N 2.5Å; W585-K589 WeakPolarHBondContact O-CA 3.46Å; W585-K589 PolarHBondContact O-N 3.21Å
586	L	92.9	Very high	93.4	Very high	127 Å²	127	53.7 Å²	53.7	67%	0.665	26%	0.258	S	S	*	.	H	α-helix	trans	-61.1	-34.9	175.9	-76.2	170	0	0	0	111.7	R582 A583	R582-L586 WeakPolarHBondContact O-CB 3.28Å; R582-L586 VanDerWaalsContact O-CG 3.28Å; R582-L586 WeakPolarHBondContact O-CG 3.37Å; R582-L586 PolarHBondContact O-N 2.99Å; A583-L586 PolarHBondContact O-N 3Å
587	A	92.7	Very high	93.5	Very high	80 Å²	80	53.1 Å²	53.1	66%	0.661	26%	0.255	S	S	*	.	H	α-helix	trans	-74	-43.9	179.3	0	0	0	0	0	113.2	A583 S584 W585	A583-A587 WeakPolarHBondContact O-CB 3.27Å; A583-A587 PolarHBondContact O-N 3.26Å; S584-A587 PolarHBondContact O-N 2.96Å; W585-A587 PolarHBondContact O-N 2.88Å
588	K	93.3	Very high	93.5	Very high	100 Å²	100	53.2 Å²	53.2	44%	0.435	26%	0.255	S	S	.	.	H	α-helix	trans	-127.8	-1.5	-168.1	-66.2	-173.2	-178.3	178.7	0	115.7	S584 W585 N590 R591 A592 D596	S584-K588 PolarHBondContact O-N 3.31Å; W585-K588 PolarHBondContact O-N 2.5Å; K588-N590 PolarHBondContact O-N 3.09Å; K588-R591 HydrophobicContact CB-CB 4.46Å; K588-R591 WeakPolarHBondContact O-CB 3.21Å; K588-R591 PolarHBondContact O-N 3.27Å; K588-A592 HydrophobicContact CB-CB 4.03Å; K588-D596 WeakPolarHBondContact CD-OD2 3.41Å; K588-D596 WeakPolarHBondContact CE-OD1 3.17Å; K588-D596 IonicContact NZ-OD1 2.6Å; K588-D596 PolarHBondContact NZ-OD1 3.22Å; K588-D596 IonicContact NZ-OD2 3.57Å
589	K	91.1	Very high	93.5	Very high	130 Å²	130	55.6 Å²	55.6	57%	0.565	27%	0.268	S	S	*	.	G	3₁₀ helix	trans	49.4	-130.1	-176.2	-59.4	-175.2	176.4	-176.7	0	111.1	W585 R591 A592	W585-K589 WeakPolarHBondContact O-CA 3.46Å; W585-K589 PolarHBondContact O-N 3.21Å; K589-R591 PolarHBondContact O-N 3.46Å; K589-R591 VanDerWaalsContact O-N 3.08Å; K589-A592 VanDerWaalsContact O-CB 3.25Å; K589-A592 WeakPolarHBondContact O-CB 3.41Å; K589-A592 PolarHBondContact O-N 2.9Å
590	N	89	Confident	93.6	Very high	72 Å²	72	54.2 Å²	54.2	39%	0.385	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-65.7	-7.9	-179.9	-55.5	75.2	0	0	0	114.3	A543 I545 K588	A543-N590 PolarHBondContact O-ND2 3.26Å; I545-N590 PolarHBondContact O-ND2 2.98Å; K588-N590 PolarHBondContact O-N 3.09Å
591	R	90	Very high	93.6	Very high	198 Å²	198	54.2 Å²	54.2	75%	0.747	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	-97.1	2.3	172.9	-61.4	-172.6	177	-174.5	-1.8	113.2	K588 K589	K588-R591 HydrophobicContact CB-CB 4.46Å; K588-R591 WeakPolarHBondContact O-CB 3.21Å; K588-R591 PolarHBondContact O-N 3.27Å; K589-R591 PolarHBondContact O-N 3.46Å; K589-R591 VanDerWaalsContact O-N 3.08Å
592	A	92.9	Very high	93.5	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	28%	0.276	C	S	.	.			trans	-62.9	149.8	170.8	0	0	0	0	0	110.1	N540 F542 S584 K588 K589 D596	N540-A592 PolarHBondContact ND2-O 3.12Å; N540-A592 VanDerWaalsContact ND2-O 3.17Å; N540-A592 PolarHBondContact OD1-O 2.8Å; N540-A592 VanDerWaalsContact OD1-O 3.07Å; F542-A592 HydrophobicContact CB-CB 3.94Å; F542-A592 HydrophobicContact CD1-CB 3.77Å; F542-A592 VanDerWaalsContact CD2-C 3.46Å; F542-A592 HydrophobicContact CD2-CB 3.73Å; F542-A592 VanDerWaalsContact CD2-O 3.27Å; F542-A592 WeakPolarHBondContact CD2-O 3.22Å; F542-A592 HydrophobicContact CE1-CB 4.15Å; F542-A592 HydrophobicContact CE2-CB 4.12Å; F542-A592 HydrophobicContact CG-CB 3.54Å; F542-A592 HydrophobicContact CZ-CB 4.32Å; S584-A592 WeakPolarHBondContact O-CB 3.28Å; K588-A592 HydrophobicContact CB-CB 4.03Å; K589-A592 VanDerWaalsContact O-CB 3.25Å; K589-A592 WeakPolarHBondContact O-CB 3.41Å; K589-A592 PolarHBondContact O-N 2.9Å; A592-D596 WeakPolarHBondContact CA-OD2 3.46Å
593	R	93.3	Very high	93.4	Very high	64 Å²	64	58.2 Å²	58.2	24%	0.242	29%	0.287	C	S	.	.			trans	-137.9	170.1	-172.1	-76.6	-161.3	-36	-163.8	12.2	111.1	D595 D596 V597 N641 D643	R593-D595 IonicContact CZ-OD2 3.25Å; R593-D595 VanDerWaalsContact CZ-OD2 3.25Å; R593-D595 IonicContact NE-OD2 2.93Å; R593-D595 PolarHBondContact NE-OD2 3.1Å; R593-D595 IonicContact NH2-OD2 2.85Å; R593-D595 PolarHBondContact NH2-OD2 2.89Å; R593-D595 PolarHBondContact O-N 2.99Å; R593-D596 WeakPolarHBondContact CB-OD2 3.25Å; R593-D596 PolarHBondContact N-OD2 2.96Å; R593-D596 WeakPolarHBondContact O-CB 3.32Å; R593-D596 PolarHBondContact O-N 3.43Å; R593-D596 VanDerWaalsContact O-N 3.12Å; R593-V597 PolarHBondContact O-N 3.03Å; R593-N641 WeakPolarHBondContact CB-OD1 3.27Å; R593-D643 IonicContact NH1-OD2 3.28Å; R593-D643 PolarHBondContact NH1-OD2 3.3Å
594	I	93.8	Very high	93.3	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-65.7	-31.4	176.4	-58.2	178.3	0	0	0	110.2	P541 L559 M562 D596 V597 V598 T631 F640 N641	P541-I594 HydrophobicContact CG-CD1 4.21Å; P541-I594 HydrophobicContact CG-CG1 4.12Å; L559-I594 HydrophobicContact CD2-CD1 4.19Å; L559-I594 HydrophobicContact CD2-CG1 4.06Å; M562-I594 HydrophobicContact CE-CD1 3.59Å; I594-D596 PolarHBondContact O-N 3.34Å; I594-V597 PolarHBondContact O-N 2.91Å; I594-V597 VanDerWaalsContact O-N 3.16Å; I594-V598 HydrophobicContact CG2-CG2 4.3Å; I594-V598 WeakPolarHBondContact O-CG2 3.42Å; I594-V598 PolarHBondContact O-N 2.8Å; I594-T631 HydrophobicContact CG2-CG2 4.4Å; I594-F640 HydrophobicContact CD1-CB 3.69Å; I594-N641 PolarHBondContact N-OD1 3.08Å
595	D	95.1	Very high	93.1	Very high	24 Å²	24	60 Å²	60	13%	0.128	29%	0.289	C	S	.	.	H	α-helix	trans	-55.5	-43.1	172.1	-42.9	-78.6	0	0	0	111	R593 V597 V598 D599 A632 N641	R593-D595 IonicContact CZ-OD2 3.25Å; R593-D595 VanDerWaalsContact CZ-OD2 3.25Å; R593-D595 IonicContact NE-OD2 2.93Å; R593-D595 PolarHBondContact NE-OD2 3.1Å; R593-D595 IonicContact NH2-OD2 2.85Å; R593-D595 PolarHBondContact NH2-OD2 2.89Å; R593-D595 PolarHBondContact O-N 2.99Å; D595-V597 VanDerWaalsContact C-N 3.29Å; D595-V597 PolarHBondContact O-N 3.01Å; D595-V598 PolarHBondContact O-N 3.47Å; D595-D599 WeakPolarHBondContact O-CB 3.12Å; D595-D599 PolarHBondContact O-N 2.83Å; D595-A632 WeakPolarHBondContact OD1-CB 3.43Å; D595-A632 PolarHBondContact OD1-N 2.92Å; D595-N641 PolarHBondContact OD1-ND2 3.11Å; D595-N641 PolarHBondContact OD2-ND2 2.94Å
596	D	95.5	Very high	92.8	Very high	21 Å²	21	62.3 Å²	62.3	11%	0.112	30%	0.304	C	S	.	.	H	α-helix	trans	-67.2	-31.4	-178.1	-59.3	-58.3	0	0	0	112.8	S584 K588 A592 R593 I594 F600	S584-D596 VanDerWaalsContact OG-C 3.26Å; S584-D596 PolarHBondContact OG-O 2.67Å; K588-D596 WeakPolarHBondContact CD-OD2 3.41Å; K588-D596 WeakPolarHBondContact CE-OD1 3.17Å; K588-D596 IonicContact NZ-OD1 2.6Å; K588-D596 PolarHBondContact NZ-OD1 3.22Å; K588-D596 IonicContact NZ-OD2 3.57Å; A592-D596 WeakPolarHBondContact CA-OD2 3.46Å; R593-D596 WeakPolarHBondContact CB-OD2 3.25Å; R593-D596 PolarHBondContact N-OD2 2.96Å; R593-D596 WeakPolarHBondContact O-CB 3.32Å; R593-D596 PolarHBondContact O-N 3.43Å; R593-D596 VanDerWaalsContact O-N 3.12Å; I594-D596 PolarHBondContact O-N 3.34Å; D596-F600 WeakPolarHBondContact O-CB 3.46Å; D596-F600 PolarHBondContact O-N 2.86Å; D596-F600 VanDerWaalsContact O-N 3.16Å
597	V	95.6	Very high	92.5	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-71.5	-47.3	175.3	177.9	0	0	0	0	109.2	F542 L559 L577 A580 S584 R593 I594 D595 D599 F600 L601 L627	F542-V597 HydrophobicContact CE2-CG2 3.95Å; F542-V597 HydrophobicContact CZ-CG2 3.66Å; L559-V597 HydrophobicContact CD1-CB 4.44Å; L559-V597 HydrophobicContact CD1-CG1 4.03Å; L559-V597 HydrophobicContact CD1-CG2 3.93Å; L577-V597 HydrophobicContact CD1-CG1 3.92Å; A580-V597 HydrophobicContact CB-CG1 3.76Å; S584-V597 WeakPolarHBondContact OG-CA 3.04Å; S584-V597 WeakPolarHBondContact OG-CG2 3.37Å; S584-V597 PolarHBondContact OG-N 3.11Å; R593-V597 PolarHBondContact O-N 3.03Å; I594-V597 PolarHBondContact O-N 2.91Å; I594-V597 VanDerWaalsContact O-N 3.16Å; D595-V597 VanDerWaalsContact C-N 3.29Å; D595-V597 PolarHBondContact O-N 3.01Å; V597-D599 VanDerWaalsContact C-N 3.34Å; V597-D599 PolarHBondContact O-N 2.74Å; V597-F600 WeakPolarHBondContact O-CB 3.28Å; V597-F600 PolarHBondContact O-N 2.82Å; V597-L601 HydrophobicContact CG1-CD1 4.26Å; V597-L601 WeakPolarHBondContact O-CG 3.46Å; V597-L601 PolarHBondContact O-N 3.41Å; V597-L627 HydrophobicContact CG1-CD1 4.42Å
598	V	95.5	Very high	92	Very high	1 Å²	1	62.8 Å²	62.8	1%	0.006	30%	0.296	C	S	.	.	H	α-helix	trans	-63.8	-39.9	179.3	171.9	0	0	0	0	111.3	I594 D595 L601 K602 I624 L627 T631	I594-V598 HydrophobicContact CG2-CG2 4.3Å; I594-V598 WeakPolarHBondContact O-CG2 3.42Å; I594-V598 PolarHBondContact O-N 2.8Å; D595-V598 PolarHBondContact O-N 3.47Å; V598-L601 PolarHBondContact O-N 3.41Å; V598-K602 HydrophobicContact CG1-CD 4.18Å; V598-K602 WeakPolarHBondContact O-CG 3.43Å; V598-K602 PolarHBondContact O-N 3.06Å; V598-I624 HydrophobicContact CG1-CG2 4.3Å; V598-L627 HydrophobicContact CG2-CB 3.72Å; V598-T631 HydrophobicContact CB-CG2 4.1Å; V598-T631 HydrophobicContact CG1-CG2 4.34Å; V598-T631 HydrophobicContact CG2-CG2 3.71Å
599	D	94.6	Very high	91.5	Very high	80 Å²	80	64.2 Å²	64.2	43%	0.428	30%	0.304	S	S	.	.	H	α-helix	trans	-63.6	-41	175.6	-73.2	-16.9	0	0	0	111.6	D595 V597 K602 N603	D595-D599 WeakPolarHBondContact O-CB 3.12Å; D595-D599 PolarHBondContact O-N 2.83Å; V597-D599 VanDerWaalsContact C-N 3.34Å; V597-D599 PolarHBondContact O-N 2.74Å; D599-K602 PolarHBondContact O-N 3.14Å; D599-N603 WeakPolarHBondContact O-CB 3.22Å; D599-N603 VanDerWaalsContact O-CG 3.27Å; D599-N603 PolarHBondContact O-N 3.43Å; D599-N603 PolarHBondContact O-ND2 2.62Å; D599-N603 VanDerWaalsContact O-ND2 3.16Å
600	F	94.5	Very high	91.2	Very high	69 Å²	69	59.1 Å²	59.1	30%	0.303	28%	0.282	S	S	.	.	H	α-helix	trans	-61.7	-45.4	172.8	-177.9	-85	0	0	0	111.7	Q579 A580 A583 D596 V597 K602 N603 A604	Q579-F600 HydrophobicContact CB-CE1 4.24Å; Q579-F600 HydrophobicContact CB-CZ 4.42Å; A580-F600 HydrophobicContact CB-CB 4.28Å; A580-F600 HydrophobicContact CB-CD1 3.4Å; A580-F600 HydrophobicContact CB-CE1 4.01Å; A580-F600 HydrophobicContact CB-CG 4.08Å; A583-F600 HydrophobicContact CB-CD2 3.47Å; A583-F600 VanDerWaalsContact CB-CD2 3.47Å; A583-F600 HydrophobicContact CB-CE2 3.38Å; A583-F600 HydrophobicContact CB-CG 4.26Å; A583-F600 HydrophobicContact CB-CZ 4.11Å; D596-F600 WeakPolarHBondContact O-CB 3.46Å; D596-F600 PolarHBondContact O-N 2.86Å; D596-F600 VanDerWaalsContact O-N 3.16Å; V597-F600 WeakPolarHBondContact O-CB 3.28Å; V597-F600 PolarHBondContact O-N 2.82Å; F600-K602 PolarHBondContact O-N 3.43Å; F600-N603 PolarHBondContact O-N 3.39Å; F600-A604 HydrophobicContact CE1-CB 4.45Å; F600-A604 WeakPolarHBondContact O-CB 3.25Å; F600-A604 PolarHBondContact O-N 2.98Å
601	L	94.9	Very high	90.7	Very high	1 Å²	1	58.8 Å²	58.8	1%	0.005	28%	0.282	C	S	.	.	H	α-helix	trans	-63.5	-39.8	179.4	-66.8	173.9	0	0	0	112	L577 A580 V597 V598 A604 R605 L620 M623 I624 L627	L577-L601 HydrophobicContact CD1-CD1 4.38Å; A580-L601 HydrophobicContact CB-CD2 3.91Å; A580-L601 HydrophobicContact CB-CG 4.13Å; V597-L601 HydrophobicContact CG1-CD1 4.26Å; V597-L601 WeakPolarHBondContact O-CG 3.46Å; V597-L601 PolarHBondContact O-N 3.41Å; V598-L601 PolarHBondContact O-N 3.41Å; L601-A604 PolarHBondContact O-N 2.85Å; L601-R605 WeakPolarHBondContact O-CB 3.37Å; L601-R605 PolarHBondContact O-N 3.17Å; L601-L620 HydrophobicContact CB-CD2 4.47Å; L601-L620 HydrophobicContact CD2-CD2 3.67Å; L601-M623 HydrophobicContact CD1-CB 4.04Å; L601-M623 HydrophobicContact CD2-CE 4.04Å; L601-I624 HydrophobicContact CB-CD1 4.15Å; L601-I624 HydrophobicContact CB-CG1 3.74Å; L601-L627 HydrophobicContact CD1-CD1 3.98Å
602	K	94.1	Very high	90.4	Very high	70 Å²	70	57.5 Å²	57.5	30%	0.304	28%	0.284	S	S	.	.	H	α-helix	trans	-60.8	-48.6	173.8	-74.6	170.7	-179.3	168.4	0	111.3	V598 D599 F600 A604 R605 D606 I624	V598-K602 HydrophobicContact CG1-CD 4.18Å; V598-K602 WeakPolarHBondContact O-CG 3.43Å; V598-K602 PolarHBondContact O-N 3.06Å; D599-K602 PolarHBondContact O-N 3.14Å; F600-K602 PolarHBondContact O-N 3.43Å; K602-A604 VanDerWaalsContact C-N 3.33Å; K602-A604 PolarHBondContact O-N 2.87Å; K602-R605 WeakPolarHBondContact O-CB 3.48Å; K602-R605 PolarHBondContact O-N 3.26Å; K602-D606 PolarHBondContact O-N 2.85Å; K602-D606 VanDerWaalsContact O-N 3.16Å; K602-I624 HydrophobicContact CB-CD1 4.47Å; K602-I624 HydrophobicContact CG-CD1 3.85Å; K602-I624 HydrophobicContact CG-CG1 4.25Å; K602-I624 HydrophobicContact CG-CG2 4.24Å
603	N	92.6	Very high	90.2	Very high	114 Å²	114	59.2 Å²	59.2	61%	0.61	30%	0.297	S	S	*	.	H	α-helix	trans	-63.4	-38.6	177.4	-70.2	-28.6	0	0	0	112.2	D599 F600 D606 N607	D599-N603 WeakPolarHBondContact O-CB 3.22Å; D599-N603 VanDerWaalsContact O-CG 3.27Å; D599-N603 PolarHBondContact O-N 3.43Å; D599-N603 PolarHBondContact O-ND2 2.62Å; D599-N603 VanDerWaalsContact O-ND2 3.16Å; F600-N603 PolarHBondContact O-N 3.39Å; N603-D606 PolarHBondContact O-N 2.98Å; N603-N607 WeakPolarHBondContact O-CB 3.43Å; N603-N607 PolarHBondContact O-N 2.96Å
604	A	90.6	Very high	89.9	Confident	12 Å²	12	60.7 Å²	60.7	10%	0.099	31%	0.314	C	S	.	.	H	α-helix	trans	-63.3	-44.6	174.9	0	0	0	0	0	111.1	F600 L601 K602 D606 N607 Y610 L620	F600-A604 HydrophobicContact CE1-CB 4.45Å; F600-A604 WeakPolarHBondContact O-CB 3.25Å; F600-A604 PolarHBondContact O-N 2.98Å; L601-A604 PolarHBondContact O-N 2.85Å; K602-A604 VanDerWaalsContact C-N 3.33Å; K602-A604 PolarHBondContact O-N 2.87Å; A604-D606 PolarHBondContact O-N 2.93Å; A604-N607 WeakPolarHBondContact O-CB 3.33Å; A604-N607 PolarHBondContact O-N 2.81Å; A604-N607 VanDerWaalsContact O-N 3.14Å; A604-Y610 HydrophobicContact CB-CE2 4.24Å; A604-Y610 VanDerWaalsContact O-CD2 3.25Å; A604-Y610 WeakPolarHBondContact O-CD2 3.22Å; A604-L620 HydrophobicContact CB-CD1 4.29Å; A604-L620 HydrophobicContact CB-CD2 4.49Å
605	R	89.6	Confident	89.7	Confident	60 Å²	60	65 Å²	65	23%	0.226	34%	0.341	C	S	.	.	H	α-helix	trans	-59.8	-33.2	178.1	-176.7	-158.9	64.2	-164.4	-7.2	112.7	L601 K602 R617 L620 D621	L601-R605 WeakPolarHBondContact O-CB 3.37Å; L601-R605 PolarHBondContact O-N 3.17Å; K602-R605 WeakPolarHBondContact O-CB 3.48Å; K602-R605 PolarHBondContact O-N 3.26Å; R605-R617 HydrophobicContact CG-CB 4.37Å; R605-R617 HydrophobicContact CG-CG 4.49Å; R605-R617 PolarHBondContact O-NE 2.83Å; R605-R617 PolarHBondContact O-NH2 2.83Å; R605-L620 HydrophobicContact CB-CB 4.09Å; R605-L620 HydrophobicContact CB-CD1 3.91Å; R605-L620 HydrophobicContact CG-CB 4.39Å; R605-D621 WeakPolarHBondContact CD-OD1 3.05Å; R605-D621 IonicContact CZ-OD1 3.78Å; R605-D621 IonicContact NE-OD1 3.49Å; R605-D621 IonicContact NH1-OD1 2.93Å; R605-D621 PolarHBondContact NH1-OD1 2.85Å
606	D	87.5	Confident	89.4	Confident	86 Å²	86	65.6 Å²	65.6	46%	0.46	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-1.4	-177.2	-60	-21	0	0	0	112.7	K602 N603 A604 R617	K602-D606 PolarHBondContact O-N 2.85Å; K602-D606 VanDerWaalsContact O-N 3.16Å; N603-D606 PolarHBondContact O-N 2.98Å; A604-D606 PolarHBondContact O-N 2.93Å; D606-R617 IonicContact OD1-NH2 3.03Å
607	N	86.7	Confident	89.1	Confident	75 Å²	75	68.5 Å²	68.5	40%	0.401	35%	0.353	S	S	.	.	S	Bend	trans	-76.4	136.3	175.9	-173.6	-22	0	0	0	111.2	N603 A604 Q609 Y610	N603-N607 WeakPolarHBondContact O-CB 3.43Å; N603-N607 PolarHBondContact O-N 2.96Å; A604-N607 WeakPolarHBondContact O-CB 3.33Å; A604-N607 PolarHBondContact O-N 2.81Å; A604-N607 VanDerWaalsContact O-N 3.14Å; N607-Q609 PolarHBondContact O-N 2.78Å; N607-Q609 PolarHBondContact OD1-N 3.15Å; N607-Y610 PolarHBondContact O-N 3.15Å
608	D	81.6	Confident	88.8	Confident	142 Å²	142	71.3 Å²	71.3	76%	0.759	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	-47.7	-32.1	174.4	-66.5	-25	0	0	0	113.2	Y610 V611	D608-Y610 PolarHBondContact O-N 2.8Å; D608-Y610 VanDerWaalsContact O-N 3.15Å; D608-V611 PolarHBondContact O-N 3.38Å
609	Q	82.7	Confident	88.7	Confident	130 Å²	130	74.1 Å²	74.1	61%	0.607	38%	0.383	S	S	*	.	G	3₁₀ helix	trans	-53.3	-34.6	177.8	-176.5	179.9	-6.8	0	0	113.9	N607	N607-Q609 PolarHBondContact O-N 2.78Å; N607-Q609 PolarHBondContact OD1-N 3.15Å
610	Y	84.9	Confident	88.6	Confident	23 Å²	23	70.3 Å²	70.3	9%	0.09	36%	0.363	C	S	.	.	G	3₁₀ helix	trans	-110.2	4.2	-175.9	-58.5	-66.6	0	0	0	113.5	A604 N607 D608 E612 S613 I616 R617	A604-Y610 HydrophobicContact CB-CE2 4.24Å; A604-Y610 VanDerWaalsContact O-CD2 3.25Å; A604-Y610 WeakPolarHBondContact O-CD2 3.22Å; N607-Y610 PolarHBondContact O-N 3.15Å; D608-Y610 PolarHBondContact O-N 2.8Å; D608-Y610 VanDerWaalsContact O-N 3.15Å; Y610-E612 VanDerWaalsContact C-N 3.3Å; Y610-E612 PolarHBondContact O-N 3.04Å; Y610-S613 PolarHBondContact O-N 3.43Å; Y610-I616 HydrophobicContact CD1-CB 4.19Å; Y610-I616 HydrophobicContact CD1-CD1 3.83Å; Y610-I616 HydrophobicContact CD1-CG2 3.55Å; Y610-I616 HydrophobicContact CE1-CD1 4.01Å; Y610-I616 HydrophobicContact CE1-CG2 3.91Å; Y610-I616 HydrophobicContact CG-CG2 4Å; Y610-R617 WeakPolarHBondContact O-CD 3.44Å; Y610-R617 WeakPolarHBondContact O-CG 3.49Å
611	V	79.6	Confident	88.4	Confident	65 Å²	65	70 Å²	70	39%	0.394	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-43.4	-178.9	164.7	0	0	0	0	111.9	D608 S613	D608-V611 PolarHBondContact O-N 3.38Å; V611-S613 VanDerWaalsContact C-N 3.26Å; V611-S613 PolarHBondContact O-N 3.5Å
612	E	83.6	Confident	88.3	Confident	170 Å²	170	74.1 Å²	74.1	79%	0.794	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	4.6	179.1	-63.9	-62.3	147.9	0	0	113.6	Y610 P614	Y610-E612 VanDerWaalsContact C-N 3.3Å; Y610-E612 PolarHBondContact O-N 3.04Å; E612-P614 VanDerWaalsContact C-CD 3.44Å; E612-P614 WeakPolarHBondContact O-CD 3.36Å
613	S	88.3	Confident	88.3	Confident	37 Å²	37	70.8 Å²	70.8	26%	0.259	37%	0.369	S	S	.	.			trans	-116.7	73	-178.7	-66.8	0	0	0	0	111.2	Y610 V611 T615 I616 R617	Y610-S613 PolarHBondContact O-N 3.43Å; V611-S613 VanDerWaalsContact C-N 3.26Å; V611-S613 PolarHBondContact O-N 3.5Å; S613-T615 PolarHBondContact O-N 3.26Å; S613-T615 VanDerWaalsContact O-N 3.14Å; S613-I616 PolarHBondContact O-N 3.43Å; S613-R617 PolarHBondContact O-N 2.65Å; S613-R617 VanDerWaalsContact O-N 3.08Å
614	P	86.3	Confident	88.3	Confident	95 Å²	95	66 Å²	66	62%	0.617	34%	0.343	S	S	*	.	H	α-helix	trans	-58.2	-31.6	-177.7	21.7	-32.2	0	0	0	112.7	E612 I616 R617 S618	E612-P614 VanDerWaalsContact C-CD 3.44Å; E612-P614 WeakPolarHBondContact O-CD 3.36Å; P614-I616 PolarHBondContact O-N 3Å; P614-R617 PolarHBondContact O-N 2.85Å; P614-S618 WeakPolarHBondContact O-CB 3.43Å; P614-S618 PolarHBondContact O-N 3.4Å
615	T	89.1	Confident	88.4	Confident	90 Å²	90	70.6 Å²	70.6	55%	0.552	37%	0.37	S	S	*	.	H	α-helix	trans	-66.1	-31.9	174.5	49.8	0	0	0	0	113.6	S613 R619	S613-T615 PolarHBondContact O-N 3.26Å; S613-T615 VanDerWaalsContact O-N 3.14Å; T615-R619 WeakPolarHBondContact O-CG 3.36Å; T615-R619 PolarHBondContact O-NH1 2.79Å
616	I	89.5	Confident	88.4	Confident	36 Å²	36	70.5 Å²	70.5	19%	0.185	37%	0.374	C	S	.	.	H	α-helix	trans	-78.9	-42	175.7	-65.6	177.4	0	0	0	109.9	L576 Y610 S613 P614 S618 R619 L620	L576-I616 HydrophobicContact CD1-CG2 4Å; L576-I616 HydrophobicContact CD2-CG2 4.28Å; Y610-I616 HydrophobicContact CD1-CB 4.19Å; Y610-I616 HydrophobicContact CD1-CD1 3.83Å; Y610-I616 HydrophobicContact CD1-CG2 3.55Å; Y610-I616 HydrophobicContact CE1-CD1 4.01Å; Y610-I616 HydrophobicContact CE1-CG2 3.91Å; Y610-I616 HydrophobicContact CG-CG2 4Å; S613-I616 PolarHBondContact O-N 3.43Å; P614-I616 PolarHBondContact O-N 3Å; I616-S618 VanDerWaalsContact C-N 3.34Å; I616-S618 PolarHBondContact O-N 2.84Å; I616-R619 PolarHBondContact O-N 2.97Å; I616-L620 HydrophobicContact CG2-CD1 4.06Å; I616-L620 HydrophobicContact CG2-CG 4.39Å; I616-L620 WeakPolarHBondContact O-CG 3.29Å; I616-L620 PolarHBondContact O-N 2.71Å
617	R	89.5	Confident	88.7	Confident	83 Å²	83	66.4 Å²	66.4	31%	0.313	35%	0.352	S	S	.	.	H	α-helix	trans	-60	-43.2	176.9	-63.6	-173.7	83	-166.2	0.7	111.8	R605 D606 Y610 S613 P614 R619 L620 D621	R605-R617 HydrophobicContact CG-CB 4.37Å; R605-R617 HydrophobicContact CG-CG 4.49Å; R605-R617 PolarHBondContact O-NE 2.83Å; R605-R617 PolarHBondContact O-NH2 2.83Å; D606-R617 IonicContact OD1-NH2 3.03Å; Y610-R617 WeakPolarHBondContact O-CD 3.44Å; Y610-R617 WeakPolarHBondContact O-CG 3.49Å; S613-R617 PolarHBondContact O-N 2.65Å; S613-R617 VanDerWaalsContact O-N 3.08Å; P614-R617 PolarHBondContact O-N 2.85Å; R617-R619 VanDerWaalsContact C-N 3.34Å; R617-R619 PolarHBondContact O-N 2.97Å; R617-L620 WeakPolarHBondContact O-CB 3.35Å; R617-L620 PolarHBondContact O-N 3.48Å; R617-D621 PolarHBondContact O-N 3.08Å
618	S	89.7	Confident	89	Confident	59 Å²	59	66.3 Å²	66.3	41%	0.413	35%	0.351	S	S	.	.	H	α-helix	trans	-55.4	-46.4	173.8	-171.2	0	0	0	0	112.3	P614 I616 L620 D621 E622	P614-S618 WeakPolarHBondContact O-CB 3.43Å; P614-S618 PolarHBondContact O-N 3.4Å; I616-S618 VanDerWaalsContact C-N 3.34Å; I616-S618 PolarHBondContact O-N 2.84Å; S618-L620 PolarHBondContact O-N 2.99Å; S618-D621 PolarHBondContact O-N 3.32Å; S618-E622 WeakPolarHBondContact O-CG 3.38Å; S618-E622 PolarHBondContact O-N 2.9Å; S618-E622 PolarHBondContact OG-OE1 2.73Å
619	R	92.4	Very high	89.4	Confident	59 Å²	59	62.3 Å²	62.3	22%	0.223	33%	0.328	C	S	.	.	H	α-helix	trans	-64.7	-38.2	178.2	-69.5	-174.1	172.5	72.5	-1.9	112.9	D570 H573 T615 I616 R617 E622 M623	D570-R619 IonicContact OD1-NE 2.68Å; D570-R619 PolarHBondContact OD1-NE 3.18Å; D570-R619 IonicContact OD2-CZ 3.64Å; D570-R619 IonicContact OD2-NE 2.97Å; D570-R619 PolarHBondContact OD2-NE 2.9Å; D570-R619 IonicContact OD2-NH2 2.82Å; D570-R619 PolarHBondContact OD2-NH2 3.26Å; H573-R619 VanDerWaalsContact CE1-CG 3.41Å; H573-R619 WeakPolarHBondContact CE1-CG 3.13Å; H573-R619 WeakPolarHBondContact NE2-CB 3.41Å; H573-R619 VanDerWaalsContact NE2-CG 3.31Å; H573-R619 WeakPolarHBondContact NE2-CG 3.4Å; T615-R619 WeakPolarHBondContact O-CG 3.36Å; T615-R619 PolarHBondContact O-NH1 2.79Å; I616-R619 PolarHBondContact O-N 2.97Å; R617-R619 VanDerWaalsContact C-N 3.34Å; R617-R619 PolarHBondContact O-N 2.97Å; R619-E622 PolarHBondContact O-N 2.78Å; R619-M623 PolarHBondContact O-N 3.37Å
620	L	92.9	Very high	89.8	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-63.2	-45.6	173.9	-69.9	168.9	0	0	0	110.6	L576 L601 A604 R605 I616 R617 S618 E622 M623 I624	L576-L620 HydrophobicContact CB-CD2 4.34Å; L576-L620 HydrophobicContact CD1-CD2 3.97Å; L576-L620 HydrophobicContact CD1-CG 4.17Å; L576-L620 HydrophobicContact CD2-CD2 4.35Å; L576-L620 HydrophobicContact CG-CD2 4.45Å; L601-L620 HydrophobicContact CB-CD2 4.47Å; L601-L620 HydrophobicContact CD2-CD2 3.67Å; A604-L620 HydrophobicContact CB-CD1 4.29Å; A604-L620 HydrophobicContact CB-CD2 4.49Å; R605-L620 HydrophobicContact CB-CB 4.09Å; R605-L620 HydrophobicContact CB-CD1 3.91Å; R605-L620 HydrophobicContact CG-CB 4.39Å; I616-L620 HydrophobicContact CG2-CD1 4.06Å; I616-L620 HydrophobicContact CG2-CG 4.39Å; I616-L620 WeakPolarHBondContact O-CG 3.29Å; I616-L620 PolarHBondContact O-N 2.71Å; R617-L620 WeakPolarHBondContact O-CB 3.35Å; R617-L620 PolarHBondContact O-N 3.48Å; S618-L620 PolarHBondContact O-N 2.99Å; L620-E622 PolarHBondContact O-N 2.86Å; L620-M623 HydrophobicContact CD2-CE 3.92Å; L620-M623 PolarHBondContact O-N 2.82Å; L620-I624 WeakPolarHBondContact O-CB 3.45Å; L620-I624 WeakPolarHBondContact O-CD1 3.44Å; L620-I624 WeakPolarHBondContact O-CG1 3.3Å; L620-I624 PolarHBondContact O-N 2.81Å
621	D	91.6	Very high	90.2	Very high	62 Å²	62	55.6 Å²	55.6	33%	0.332	30%	0.298	S	S	.	.	H	α-helix	trans	-60.7	-43.1	176	-76.3	-43.3	0	0	0	111.9	R605 R617 S618 I624 V625	R605-D621 WeakPolarHBondContact CD-OD1 3.05Å; R605-D621 IonicContact CZ-OD1 3.78Å; R605-D621 IonicContact NE-OD1 3.49Å; R605-D621 IonicContact NH1-OD1 2.93Å; R605-D621 PolarHBondContact NH1-OD1 2.85Å; R617-D621 PolarHBondContact O-N 3.08Å; S618-D621 PolarHBondContact O-N 3.32Å; D621-I624 PolarHBondContact O-N 3.04Å; D621-V625 VanDerWaalsContact O-CG2 3.3Å; D621-V625 WeakPolarHBondContact O-CG2 3.23Å; D621-V625 PolarHBondContact O-N 3.28Å
622	E	92	Very high	90.7	Very high	89 Å²	89	55.6 Å²	55.6	42%	0.416	31%	0.305	S	S	.	.	H	α-helix	trans	-57.4	-49.8	174.7	-73	166.9	-135.8	0	0	111.7	H573 S618 R619 L620 V625 L626	H573-E622 IonicContact NE2-OE2 2.81Å; H573-E622 PolarHBondContact NE2-OE2 2.98Å; S618-E622 WeakPolarHBondContact O-CG 3.38Å; S618-E622 PolarHBondContact O-N 2.9Å; S618-E622 PolarHBondContact OG-OE1 2.73Å; R619-E622 PolarHBondContact O-N 2.78Å; L620-E622 PolarHBondContact O-N 2.86Å; E622-V625 PolarHBondContact O-N 2.92Å; E622-L626 WeakPolarHBondContact O-CB 3.31Å; E622-L626 WeakPolarHBondContact O-CD1 3.49Å; E622-L626 WeakPolarHBondContact O-CG 3.28Å; E622-L626 PolarHBondContact O-N 3.45Å
623	M	93.5	Very high	90.8	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-65.7	-39.7	177.6	-70.2	-176.1	-67.1	0	0	112.9	L569 H573 L576 L577 L601 R619 L620 L626 L627	L569-M623 HydrophobicContact CD2-CG 4.31Å; H573-M623 HydrophobicContact CB-SD 3.95Å; L576-M623 HydrophobicContact CB-CE 3.82Å; L576-M623 HydrophobicContact CD1-CE 4.04Å; L577-M623 HydrophobicContact CB-SD 4.11Å; L577-M623 HydrophobicContact CD1-SD 4.49Å; L601-M623 HydrophobicContact CD1-CB 4.04Å; L601-M623 HydrophobicContact CD2-CE 4.04Å; R619-M623 PolarHBondContact O-N 3.37Å; L620-M623 HydrophobicContact CD2-CE 3.92Å; L620-M623 PolarHBondContact O-N 2.82Å; M623-L626 PolarHBondContact O-N 2.93Å; M623-L627 VanDerWaalsContact O-CB 3.26Å; M623-L627 WeakPolarHBondContact O-CB 3.44Å; M623-L627 WeakPolarHBondContact O-CG 3.23Å; M623-L627 PolarHBondContact O-N 3.13Å
624	I	93.3	Very high	90.9	Very high	13 Å²	13	50.3 Å²	50.3	7%	0.067	30%	0.302	C	S	.	.	H	α-helix	trans	-60	-50.5	178.3	-71.4	160.5	0	0	0	109.2	V598 L601 K602 L620 D621 L626 L627 D628	V598-I624 HydrophobicContact CG1-CG2 4.3Å; L601-I624 HydrophobicContact CB-CD1 4.15Å; L601-I624 HydrophobicContact CB-CG1 3.74Å; K602-I624 HydrophobicContact CB-CD1 4.47Å; K602-I624 HydrophobicContact CG-CD1 3.85Å; K602-I624 HydrophobicContact CG-CG1 4.25Å; K602-I624 HydrophobicContact CG-CG2 4.24Å; L620-I624 WeakPolarHBondContact O-CB 3.45Å; L620-I624 WeakPolarHBondContact O-CD1 3.44Å; L620-I624 WeakPolarHBondContact O-CG1 3.3Å; L620-I624 PolarHBondContact O-N 2.81Å; D621-I624 PolarHBondContact O-N 3.04Å; I624-L626 VanDerWaalsContact C-N 3.33Å; I624-L626 PolarHBondContact O-N 3.32Å; I624-L627 PolarHBondContact O-N 2.96Å; I624-D628 VanDerWaalsContact O-CB 3.29Å; I624-D628 WeakPolarHBondContact O-CB 3.48Å; I624-D628 PolarHBondContact O-N 2.8Å
625	V	91.5	Very high	90.9	Very high	109 Å²	109	51.1 Å²	51.1	66%	0.661	31%	0.305	S	S	*	.	H	α-helix	trans	-60.3	-43.7	179.1	171.8	0	0	0	0	111.3	D621 E622	D621-V625 VanDerWaalsContact O-CG2 3.3Å; D621-V625 WeakPolarHBondContact O-CG2 3.23Å; D621-V625 PolarHBondContact O-N 3.28Å; E622-V625 PolarHBondContact O-N 2.92Å
626	L	91	Very high	90.8	Very high	58 Å²	58	48.9 Å²	48.9	30%	0.304	29%	0.287	S	S	.	.	H	α-helix	trans	-73.3	-33.4	-177.6	-68.8	172.1	0	0	0	113.4	A563 L569 E622 M623 I624 Q629	A563-L626 HydrophobicContact CB-CB 3.82Å; A563-L626 HydrophobicContact CB-CD1 4.45Å; A563-L626 WeakPolarHBondContact O-CB 3.31Å; A563-L626 WeakPolarHBondContact O-CD1 3.39Å; A563-L626 WeakPolarHBondContact O-CD2 3.11Å; L569-L626 HydrophobicContact CD2-CD1 4.49Å; E622-L626 WeakPolarHBondContact O-CB 3.31Å; E622-L626 WeakPolarHBondContact O-CD1 3.49Å; E622-L626 WeakPolarHBondContact O-CG 3.28Å; E622-L626 PolarHBondContact O-N 3.45Å; M623-L626 PolarHBondContact O-N 2.93Å; I624-L626 VanDerWaalsContact C-N 3.33Å; I624-L626 PolarHBondContact O-N 3.32Å; L626-Q629 WeakPolarHBondContact O-CG 3.37Å; L626-Q629 PolarHBondContact O-NE2 3.14Å
627	L	92.9	Very high	90.7	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-84.3	-21.6	177.8	-71.5	172.5	0	0	0	112.8	L559 A563 L577 V597 V598 L601 M623 I624 Q629 Y630 T631	L559-L627 HydrophobicContact CB-CD2 4.24Å; L559-L627 HydrophobicContact CD2-CD2 4.29Å; A563-L627 HydrophobicContact CB-CD2 3.85Å; A563-L627 HydrophobicContact CB-CG 4Å; L577-L627 HydrophobicContact CD1-CD1 3.81Å; V597-L627 HydrophobicContact CG1-CD1 4.42Å; V598-L627 HydrophobicContact CG2-CB 3.72Å; L601-L627 HydrophobicContact CD1-CD1 3.98Å; M623-L627 VanDerWaalsContact O-CB 3.26Å; M623-L627 WeakPolarHBondContact O-CB 3.44Å; M623-L627 WeakPolarHBondContact O-CG 3.23Å; M623-L627 PolarHBondContact O-N 3.13Å; I624-L627 PolarHBondContact O-N 2.96Å; L627-Q629 PolarHBondContact O-N 3.01Å; L627-Y630 PolarHBondContact O-N 3.35Å; L627-T631 PolarHBondContact O-N 3.02Å
628	D	92.7	Very high	90.5	Very high	72 Å²	72	49.5 Å²	49.5	39%	0.385	29%	0.288	S	S	.	.	H	α-helix	trans	-55.5	-36.3	-179.2	-164.2	69.5	0	0	0	112.1	I624 Y630 T631 G634	I624-D628 VanDerWaalsContact O-CB 3.29Å; I624-D628 WeakPolarHBondContact O-CB 3.48Å; I624-D628 PolarHBondContact O-N 2.8Å; D628-Y630 PolarHBondContact O-N 3.32Å; D628-T631 WeakPolarHBondContact O-CB 3.47Å; D628-T631 PolarHBondContact O-N 3.02Å; D628-T631 PolarHBondContact O-OG1 3.31Å; D628-G634 WeakPolarHBondContact O-CA 3.38Å
629	Q	90.4	Very high	90.4	Very high	58 Å²	58	46.8 Å²	46.8	27%	0.271	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-16.6	175.7	73.8	-172.7	-48.4	0	0	114.1	L626 L627 G634 T635 Y636 G637	L626-Q629 WeakPolarHBondContact O-CG 3.37Å; L626-Q629 PolarHBondContact O-NE2 3.14Å; L627-Q629 PolarHBondContact O-N 3.01Å; Q629-G634 CarbonylContact O-C 3.52Å; Q629-G634 VanDerWaalsContact O-C 3.23Å; Q629-G634 WeakPolarHBondContact O-CA 3.18Å; Q629-T635 PolarHBondContact O-N 2.82Å; Q629-T635 VanDerWaalsContact O-N 3.17Å; Q629-Y636 HydrophobicContact CG-CD2 4.19Å; Q629-Y636 WeakPolarHBondContact O-CA 3.33Å; Q629-Y636 PolarHBondContact O-N 3.45Å; Q629-G637 PolarHBondContact O-N 3.22Å
630	Y	91.7	Very high	90.2	Very high	1 Å²	1	44 Å²	44	0%	0.004	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.1	-1.2	178.2	-58	-80.1	0	0	0	113.7	M562 L627 D628 Y636 F640 N641 A670	M562-Y630 HydrophobicContact CB-CD2 4.17Å; M562-Y630 HydrophobicContact CB-CE1 4.44Å; M562-Y630 HydrophobicContact CB-CE2 3.77Å; M562-Y630 HydrophobicContact CE-CD1 3.27Å; M562-Y630 HydrophobicContact CE-CD2 4.03Å; M562-Y630 HydrophobicContact CE-CE1 3.72Å; M562-Y630 HydrophobicContact CE-CE2 4.41Å; M562-Y630 HydrophobicContact CE-CG 3.44Å; M562-Y630 VanDerWaalsContact CE-CG 3.44Å; M562-Y630 WeakPolarHBondContact O-CE2 3.31Å; M562-Y630 PolarHBondContact O-OH 3.44Å; M562-Y630 VanDerWaalsContact O-OH 3.07Å; L627-Y630 PolarHBondContact O-N 3.35Å; D628-Y630 PolarHBondContact O-N 3.32Å; Y630-Y636 HydrophobicContact CD1-CD2 4.21Å; Y630-Y636 HydrophobicContact CD1-CG 4.36Å; Y630-Y636 AromaticContact CE1-CD2 3.66Å; Y630-Y636 HydrophobicContact CE1-CD2 3.66Å; Y630-Y636 HydrophobicContact CE1-CG 4.05Å; Y630-Y636 AromaticContact CZ-CD2 3.96Å; Y630-F640 AromaticContact CD1-CD2 3.55Å; Y630-F640 HydrophobicContact CD1-CD2 3.55Å; Y630-F640 AromaticContact CD1-CE2 3.97Å; Y630-F640 HydrophobicContact CD1-CE2 3.97Å; Y630-F640 HydrophobicContact CD1-CG 4.29Å; Y630-F640 AromaticContact CE1-CD2 3.9Å; Y630-F640 HydrophobicContact CE1-CD2 3.9Å; Y630-F640 AromaticContact CE1-CE2 3.81Å; Y630-F640 HydrophobicContact CE1-CE2 3.81Å; Y630-N641 WeakPolarHBondContact O-CB 3.48Å; Y630-A670 HydrophobicContact CE1-CB 4.21Å
631	T	93.2	Very high	90	Very high	11 Å²	11	44.6 Å²	44.6	7%	0.067	26%	0.261	C	S	.	.	S	Bend	trans	-71.8	170.8	171.1	66.9	0	0	0	0	110.8	I594 V598 L627 D628 G633 G634 G637	I594-T631 HydrophobicContact CG2-CG2 4.4Å; V598-T631 HydrophobicContact CB-CG2 4.1Å; V598-T631 HydrophobicContact CG1-CG2 4.34Å; V598-T631 HydrophobicContact CG2-CG2 3.71Å; L627-T631 PolarHBondContact O-N 3.02Å; D628-T631 WeakPolarHBondContact O-CB 3.47Å; D628-T631 PolarHBondContact O-N 3.02Å; D628-T631 PolarHBondContact O-OG1 3.31Å; T631-G633 PolarHBondContact O-N 3.47Å; T631-G633 VanDerWaalsContact O-N 3.08Å; T631-G634 PolarHBondContact O-N 3.06Å; T631-G637 WeakPolarHBondContact O-CA 3.44Å
632	A	89.2	Confident	89.8	Confident	65 Å²	65	42.7 Å²	42.7	54%	0.537	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-29.8	-176.1	0	0	0	0	0	113.7	D595 N641	D595-A632 WeakPolarHBondContact OD1-CB 3.43Å; D595-A632 PolarHBondContact OD1-N 2.92Å; A632-N641 PolarHBondContact N-ND2 3.12Å
633	G	86.7	Confident	89.4	Confident	80 Å²	80	43.4 Å²	43.4	83%	0.825	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	-8.5	175.7	0	0	0	0	0	115.1	T631	T631-G633 PolarHBondContact O-N 3.47Å; T631-G633 VanDerWaalsContact O-N 3.08Å
634	G	89.1	Confident	88.8	Confident	17 Å²	17	51.2 Å²	51.2	18%	0.175	30%	0.296	C	S	.	.	S	Bend	trans	-79.5	162.2	-175.8	0	0	0	0	0	114.2	D628 Q629 T631 Y636 G637	D628-G634 WeakPolarHBondContact O-CA 3.38Å; Q629-G634 CarbonylContact O-C 3.52Å; Q629-G634 VanDerWaalsContact O-C 3.23Å; Q629-G634 WeakPolarHBondContact O-CA 3.18Å; T631-G634 PolarHBondContact O-N 3.06Å; G634-Y636 PolarHBondContact O-N 3.12Å; G634-Y636 VanDerWaalsContact O-N 3.13Å; G634-G637 PolarHBondContact O-N 3.05Å
635	T	86.5	Confident	88.3	Confident	112 Å²	112	52.1 Å²	52.1	69%	0.687	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-34.3	-178.7	-48.2	0	0	0	0	113.7	Q629	Q629-T635 PolarHBondContact O-N 2.82Å; Q629-T635 VanDerWaalsContact O-N 3.17Å
636	Y	87	Confident	87.9	Confident	42 Å²	42	48.2 Å²	48.2	17%	0.165	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.6	7	179.7	-55.1	-52	0	0	0	113.6	Q629 Y630 G634 R638 Y639 L667	Q629-Y636 HydrophobicContact CG-CD2 4.19Å; Q629-Y636 WeakPolarHBondContact O-CA 3.33Å; Q629-Y636 PolarHBondContact O-N 3.45Å; Y630-Y636 HydrophobicContact CD1-CD2 4.21Å; Y630-Y636 HydrophobicContact CD1-CG 4.36Å; Y630-Y636 AromaticContact CE1-CD2 3.66Å; Y630-Y636 HydrophobicContact CE1-CD2 3.66Å; Y630-Y636 HydrophobicContact CE1-CG 4.05Å; Y630-Y636 AromaticContact CZ-CD2 3.96Å; G634-Y636 PolarHBondContact O-N 3.12Å; G634-Y636 VanDerWaalsContact O-N 3.13Å; Y636-R638 VanDerWaalsContact C-N 3.27Å; Y636-R638 PolarHBondContact O-N 2.96Å; Y636-Y639 HydrophobicContact CD1-CD2 4.3Å; Y636-Y639 HydrophobicContact CD1-CE2 4.47Å; Y636-Y639 WeakPolarHBondContact O-CB 3.19Å; Y636-Y639 PolarHBondContact O-N 3.41Å; Y636-L667 HydrophobicContact CD1-CB 4.37Å; Y636-L667 HydrophobicContact CD1-CD1 3.95Å; Y636-L667 HydrophobicContact CD1-CD2 4.26Å; Y636-L667 HydrophobicContact CD1-CG 4.43Å; Y636-L667 HydrophobicContact CE1-CB 4.03Å; Y636-L667 HydrophobicContact CE1-CD1 4.44Å; Y636-L667 HydrophobicContact CE1-CD2 4.25Å; Y636-L667 HydrophobicContact CE1-CG 4.48Å; Y636-L667 HydrophobicContact CG-CD1 4.28Å
637	G	87.8	Confident	87.4	Confident	2 Å²	2	45.7 Å²	45.7	2%	0.021	27%	0.267	C	S	.	.	H	α-helix	trans	-51.6	-44.9	-178.3	0	0	0	0	0	113.9	Q629 T631 G634 Y639 F640 N641	Q629-G637 PolarHBondContact O-N 3.22Å; T631-G637 WeakPolarHBondContact O-CA 3.44Å; G634-G637 PolarHBondContact O-N 3.05Å; G637-Y639 PolarHBondContact O-N 3.27Å; G637-F640 PolarHBondContact O-N 2.67Å; G637-N641 WeakPolarHBondContact O-CB 3.33Å; G637-N641 PolarHBondContact O-N 3.24Å
638	R	86.5	Confident	86.6	Confident	131 Å²	131	53.4 Å²	53.4	49%	0.494	30%	0.296	S	S	.	.	H	α-helix	trans	-54.8	-25.9	177	71.9	-177.2	-172.1	177.2	5.3	113.7	R538 Y636	R538-R638 WeakPolarHBondContact CD-O 3.29Å; R538-R638 PolarHBondContact NE-O 3.44Å; Y636-R638 VanDerWaalsContact C-N 3.27Å; Y636-R638 PolarHBondContact O-N 2.96Å
639	Y	86.1	Confident	85.7	Confident	2 Å²	2	54.6 Å²	54.6	1%	0.008	30%	0.303	C	S	.	.	H	α-helix	trans	-88.7	-33.1	-175.3	-69.6	-75	0	0	0	114.3	G534 L537 R538 F539 Y636 G637 R664 L667	G534-Y639 WeakPolarHBondContact O-CE1 3.08Å; G534-Y639 PolarHBondContact O-OH 2.55Å; L537-Y639 HydrophobicContact CD2-CD1 4.12Å; L537-Y639 WeakPolarHBondContact O-CD1 3.3Å; R538-Y639 CarbonylContact C-O 3.51Å; F539-Y639 PolarHBondContact N-O 3.24Å; Y636-Y639 HydrophobicContact CD1-CD2 4.3Å; Y636-Y639 HydrophobicContact CD1-CE2 4.47Å; Y636-Y639 WeakPolarHBondContact O-CB 3.19Å; Y636-Y639 PolarHBondContact O-N 3.41Å; G637-Y639 PolarHBondContact O-N 3.27Å; Y639-R664 PolarHBondContact OH-NH1 3.37Å; Y639-L667 HydrophobicContact CD2-CD1 3.97Å; Y639-L667 HydrophobicContact CD2-CD2 4.22Å; Y639-L667 HydrophobicContact CE1-CD2 4.42Å; Y639-L667 HydrophobicContact CE2-CD1 4.4Å; Y639-L667 HydrophobicContact CE2-CD2 3.81Å; Y639-L667 HydrophobicContact CG-CD1 4.05Å
640	F	88.4	Confident	85.1	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-124.2	0.9	-170.2	-58.1	-88	0	0	0	114.2	F539 P541 M562 I594 Y630 G637 L667 A670 V671 S674	F539-F640 HydrophobicContact CB-CD1 4.02Å; F539-F640 AromaticContact CD2-CD1 3.7Å; F539-F640 HydrophobicContact CD2-CD1 3.7Å; F539-F640 AromaticContact CD2-CE1 3.56Å; F539-F640 HydrophobicContact CD2-CE1 3.56Å; F539-F640 HydrophobicContact CD2-CZ 4.46Å; F539-F640 HydrophobicContact CE2-CE1 4.15Å; F539-F640 HydrophobicContact CG-CD1 4.34Å; F539-F640 CarbonylContact O-C 2.93Å; F539-F640 VanDerWaalsContact O-CA 3.32Å; F539-F640 WeakPolarHBondContact O-CA 3.29Å; F539-F640 VanDerWaalsContact O-O 3.05Å; P541-F640 WeakPolarHBondContact CD-O 3.24Å; M562-F640 HydrophobicContact CE-CB 3.59Å; M562-F640 HydrophobicContact CE-CD1 3.75Å; M562-F640 HydrophobicContact CE-CD2 3.82Å; M562-F640 HydrophobicContact CE-CE1 4.38Å; M562-F640 HydrophobicContact CE-CE2 4.41Å; M562-F640 HydrophobicContact CE-CG 3.44Å; M562-F640 VanDerWaalsContact CE-CG 3.44Å; M562-F640 HydrophobicContact SD-CD1 4.19Å; M562-F640 HydrophobicContact SD-CG 4.46Å; I594-F640 HydrophobicContact CD1-CB 3.69Å; Y630-F640 AromaticContact CD1-CD2 3.55Å; Y630-F640 HydrophobicContact CD1-CD2 3.55Å; Y630-F640 AromaticContact CD1-CE2 3.97Å; Y630-F640 HydrophobicContact CD1-CE2 3.97Å; Y630-F640 HydrophobicContact CD1-CG 4.29Å; Y630-F640 AromaticContact CE1-CD2 3.9Å; Y630-F640 HydrophobicContact CE1-CD2 3.9Å; Y630-F640 AromaticContact CE1-CE2 3.81Å; Y630-F640 HydrophobicContact CE1-CE2 3.81Å; G637-F640 PolarHBondContact O-N 2.67Å; F640-L667 HydrophobicContact CE2-CD1 3.47Å; F640-L667 VanDerWaalsContact CE2-CD1 3.47Å; F640-L667 HydrophobicContact CZ-CD1 3.88Å; F640-A670 HydrophobicContact CE1-CB 3.96Å; F640-A670 HydrophobicContact CE2-CB 3.97Å; F640-A670 HydrophobicContact CZ-CB 3.39Å; F640-V671 HydrophobicContact CE1-CG2 4.24Å; F640-V671 HydrophobicContact CZ-CB 4.44Å; F640-V671 HydrophobicContact CZ-CG2 3.64Å; F640-S674 WeakPolarHBondContact CE1-OG 3.47Å
641	N	89.9	Confident	84.7	Confident	12 Å²	12	57.9 Å²	57.9	6%	0.064	32%	0.323	C	S	.	.			trans	-126.6	40.2	-171.8	-151.3	36.5	0	0	0	112.6	F539 R593 I594 D595 Y630 A632 G637	F539-N641 PolarHBondContact O-N 3.28Å; R593-N641 WeakPolarHBondContact CB-OD1 3.27Å; I594-N641 PolarHBondContact N-OD1 3.08Å; D595-N641 PolarHBondContact OD1-ND2 3.11Å; D595-N641 PolarHBondContact OD2-ND2 2.94Å; Y630-N641 WeakPolarHBondContact O-CB 3.48Å; A632-N641 PolarHBondContact N-ND2 3.12Å; G637-N641 WeakPolarHBondContact O-CB 3.33Å; G637-N641 PolarHBondContact O-N 3.24Å
642	S	86.5	Confident	84.5	Confident	23 Å²	23	63.3 Å²	63.3	16%	0.161	35%	0.346	C	S	.	.			trans	-92.6	143.8	-177.1	-170.6	0	0	0	0	112.6	F539 N540 E644	F539-S642 PolarHBondContact O-N 3.06Å; N540-S642 WeakPolarHBondContact CB-O 3.4Å; N540-S642 PolarHBondContact ND2-O 3.27Å; S642-E644 VanDerWaalsContact C-N 3.27Å; S642-E644 VanDerWaalsContact OG-C 3.26Å; S642-E644 PolarHBondContact OG-N 3.34Å; S642-E644 PolarHBondContact OG-O 3.34Å
643	D	82.9	Confident	84.7	Confident	103 Å²	103	60.3 Å²	60.3	55%	0.551	32%	0.321	S	S	*	.	S	Bend	trans	-77.9	-16.9	165.1	-69.6	-51.7	0	0	0	112.2	R593 P645	R593-D643 IonicContact NH1-OD2 3.28Å; R593-D643 PolarHBondContact NH1-OD2 3.3Å; D643-P645 WeakPolarHBondContact O-CD 3.26Å
644	E	82.1	Confident	84.9	Confident	164 Å²	164	56.5 Å²	56.5	77%	0.766	28%	0.281	S	S	*	.	S	Bend	trans	-120.2	85.7	178.3	-64	-176.9	-179.9	0	0	109.2	S642	S642-E644 VanDerWaalsContact C-N 3.27Å; S642-E644 VanDerWaalsContact OG-C 3.26Å; S642-E644 PolarHBondContact OG-N 3.34Å; S642-E644 PolarHBondContact OG-O 3.34Å
645	P	83.2	Confident	85	Confident	33 Å²	33	55.7 Å²	55.7	21%	0.214	27%	0.273	C	S	.	.			trans	-70.7	142	176.8	30.4	-36.4	0	0	0	110.9	R538 A543 D643 L647	R538-P645 CarbonylContact O-C 3.56Å; R538-P645 WeakPolarHBondContact O-CA 3.46Å; A543-P645 HydrophobicContact CB-CB 4.13Å; A543-P645 HydrophobicContact CB-CG 3.65Å; D643-P645 WeakPolarHBondContact O-CD 3.26Å; P645-L647 VanDerWaalsContact C-N 3.34Å; P645-L647 PolarHBondContact O-N 2.95Å
646	S	82.1	Confident	85.1	Confident	27 Å²	27	50.4 Å²	50.4	19%	0.189	24%	0.24	C	C	.	.	S	Bend	trans	-71.9	-28.4	-179.4	-44.7	0	0	0	0	112.4	L532 T536 R538	L532-S646 VanDerWaalsContact CD2-CB 3.44Å; T536-S646 PolarHBondContact O-OG 3.02Å; R538-S646 WeakPolarHBondContact CB-OG 3.27Å; R538-S646 PolarHBondContact N-OG 3.41Å; R538-S646 PolarHBondContact O-N 3.28Å; R538-S646 PolarHBondContact O-OG 3.45Å
647	L	80.2	Confident	85.1	Confident	4 Å²	4	49.4 Å²	49.4	2%	0.021	24%	0.237	C	C	.	.			trans	-92.5	106.8	179.8	-69.3	-177.2	0	0	0	112.3	L532 F539 N544 P645 V654 L675 Y678	L532-L647 HydrophobicContact CD1-CD2 3.48Å; L532-L647 VanDerWaalsContact CD1-CD2 3.48Å; L532-L647 HydrophobicContact CD1-CG 3.92Å; F539-L647 HydrophobicContact CD1-CD1 4.23Å; F539-L647 HydrophobicContact CE1-CD1 3.49Å; F539-L647 VanDerWaalsContact CE1-CD1 3.49Å; F539-L647 HydrophobicContact CE1-CG 3.99Å; F539-L647 HydrophobicContact CZ-CD1 4.43Å; N544-L647 PolarHBondContact ND2-O 2.83Å; P645-L647 VanDerWaalsContact C-N 3.34Å; P645-L647 PolarHBondContact O-N 2.95Å; L647-V654 HydrophobicContact CD2-CB 4.39Å; L647-V654 HydrophobicContact CD2-CG1 3.55Å; L647-V654 HydrophobicContact CD2-CG2 3.88Å; L647-L675 HydrophobicContact CD1-CD2 3.57Å; L647-Y678 HydrophobicContact CB-CD2 4.08Å; L647-Y678 HydrophobicContact CB-CE2 3.87Å; L647-Y678 HydrophobicContact CD1-CD1 3.78Å; L647-Y678 HydrophobicContact CD1-CD2 3.95Å; L647-Y678 HydrophobicContact CD1-CE1 4.12Å; L647-Y678 HydrophobicContact CD1-CE2 4.29Å; L647-Y678 HydrophobicContact CD1-CG 3.65Å; L647-Y678 HydrophobicContact CD2-CE1 4.14Å
648	R	75.8	Confident	84.7	Confident	163 Å²	163	49.7 Å²	49.7	62%	0.615	24%	0.238	S	C	*	.			trans	-98	161.8	175.6	-58.6	179.7	-178.7	178	0.2	111.4	D650 Y678 R682	R648-D650 WeakPolarHBondContact CB-OD1 3.28Å; R648-Y678 PolarHBondContact O-OH 3.21Å; R648-Y678 VanDerWaalsContact O-OH 3.1Å; R648-R682 PolarHBondContact O-NH2 3.09Å
649	D	73.7	Confident	84.3	Confident	97 Å²	97	44.9 Å²	44.9	52%	0.519	23%	0.229	S	C	.	.	S	Bend	trans	-79.8	-12.2	179.6	-82.2	-20	0	0	0	114.6	R682	D649-R682 VanDerWaalsContact CA-NH2 3.26Å; D649-R682 VanDerWaalsContact O-CZ 3.25Å; D649-R682 PolarHBondContact O-NH2 2.81Å; D649-R682 IonicContact OD1-NE 2.66Å
650	D	78.2	Confident	83.8	Confident	120 Å²	120	47.6 Å²	47.6	64%	0.642	26%	0.258	S	S	*	.	S	Bend	trans	-90.8	-16.9	177.3	63	-21.3	0	0	0	114	R648 K652	R648-D650 WeakPolarHBondContact CB-OD1 3.28Å; D650-K652 PolarHBondContact O-N 2.85Å; D650-K652 VanDerWaalsContact O-N 3.16Å
651	A	83.8	Confident	83.2	Confident	8 Å²	8	47.6 Å²	47.6	7%	0.066	26%	0.258	C	S	.	.			trans	-59.5	117.3	178.3	0	0	0	0	0	111.3	F510 V530 V654 R682	F510-A651 WeakPolarHBondContact CD2-O 3.44Å; F510-A651 VanDerWaalsContact CE2-O 3.31Å; F510-A651 WeakPolarHBondContact CE2-O 3.28Å; V530-A651 HydrophobicContact CG2-CB 3.75Å; A651-V654 HydrophobicContact CB-CG2 4.11Å; A651-R682 PolarHBondContact O-NH1 2.95Å; A651-R682 PolarHBondContact O-NH2 2.77Å
652	K	88.1	Confident	82.5	Confident	125 Å²	125	51 Å²	51	54%	0.543	27%	0.274	S	S	.	.	S	Bend	trans	-82	-26	178.6	-66.3	-174.6	179.3	179.6	0	113.2	L505 F510 A511 D650	L505-K652 HydrophobicContact CD2-CB 4.14Å; L505-K652 WeakPolarHBondContact CD2-O 3.45Å; F510-K652 WeakPolarHBondContact CA-O 3.42Å; F510-K652 WeakPolarHBondContact CD2-O 3.5Å; A511-K652 PolarHBondContact N-O 3.16Å; D650-K652 PolarHBondContact O-N 2.85Å; D650-K652 VanDerWaalsContact O-N 3.16Å
653	M	93.2	Very high	82.1	Confident	1 Å²	1	57.4 Å²	57.4	1%	0.005	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	136.2	175.5	-176.9	168.5	175.9	0	0	109.4	I501 L505 A511 V513 L523 C524 M527 G529 V530 V655	I501-M653 HydrophobicContact CG2-CE 4.12Å; I501-M653 HydrophobicContact CG2-SD 4.03Å; L505-M653 HydrophobicContact CD1-CB 4Å; L505-M653 HydrophobicContact CD1-CG 4.29Å; L505-M653 HydrophobicContact CD1-SD 3.63Å; L505-M653 HydrophobicContact CD2-CB 4.13Å; A511-M653 CarbonylContact O-C 3.56Å; A511-M653 VanDerWaalsContact O-CA 3.27Å; A511-M653 WeakPolarHBondContact O-CA 3.14Å; V513-M653 HydrophobicContact CG2-CE 4.31Å; L523-M653 HydrophobicContact CB-CE 4.28Å; L523-M653 HydrophobicContact CD2-CE 3.89Å; L523-M653 HydrophobicContact CD2-SD 4.44Å; L523-M653 HydrophobicContact CG-CE 3.88Å; L523-M653 HydrophobicContact CG-SD 4.13Å; C524-M653 HydrophobicContact CB-CE 4.02Å; C524-M653 HydrophobicContact CB-SD 4.4Å; M527-M653 HydrophobicContact CB-SD 4.38Å; G529-M653 CarbonylContact C-O 3.54Å; G529-M653 WeakPolarHBondContact CA-O 3.17Å; V530-M653 PolarHBondContact N-O 2.8Å; M653-V655 HydrophobicContact CE-CG2 3.43Å; M653-V655 VanDerWaalsContact CE-CG2 3.43Å; M653-V655 HydrophobicContact CG-CG2 4.34Å
654	V	92.2	Very high	81.9	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	128.2	173	176.1	0	0	0	0	107.7	F510 A511 V512 V513 V530 L532 L647 A651 Y678	F510-V654 HydrophobicContact CE2-CG2 4.25Å; A511-V654 PolarHBondContact O-N 3.41Å; V512-V654 CarbonylContact C-O 3.49Å; V512-V654 VanDerWaalsContact CA-O 3.29Å; V512-V654 WeakPolarHBondContact CA-O 3.43Å; V512-V654 HydrophobicContact CG1-CB 4.37Å; V512-V654 HydrophobicContact CG1-CG1 4.46Å; V512-V654 HydrophobicContact CG2-CB 4.36Å; V513-V654 PolarHBondContact N-O 2.92Å; V530-V654 WeakPolarHBondContact O-CA 3.46Å; L532-V654 HydrophobicContact CD1-CG1 4.25Å; L647-V654 HydrophobicContact CD2-CB 4.39Å; L647-V654 HydrophobicContact CD2-CG1 3.55Å; L647-V654 HydrophobicContact CD2-CG2 3.88Å; A651-V654 HydrophobicContact CB-CG2 4.11Å; V654-Y678 HydrophobicContact CG2-CE1 4.06Å
655	V	91.4	Very high	81.6	Confident	0 Å²	0	54 Å²	54	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	132.2	172.3	178.1	0	0	0	0	108.2	V513 D515 C524 V530 Y531 L532 M653	V513-V655 HydrophobicContact CB-CG1 4.43Å; V513-V655 HydrophobicContact CB-CG2 4.03Å; V513-V655 HydrophobicContact CG2-CG2 4.16Å; V513-V655 CarbonylContact O-C 3.23Å; V513-V655 WeakPolarHBondContact O-CA 3.36Å; D515-V655 HydrophobicContact CB-CG1 4.17Å; C524-V655 HydrophobicContact CB-CB 4.07Å; C524-V655 HydrophobicContact CB-CG2 3.52Å; V530-V655 PolarHBondContact O-N 2.91Å; Y531-V655 HydrophobicContact CD2-CB 3.78Å; Y531-V655 HydrophobicContact CD2-CG1 3.74Å; Y531-V655 HydrophobicContact CE2-CB 4.19Å; Y531-V655 HydrophobicContact CE2-CG1 3.6Å; L532-V655 PolarHBondContact N-O 3.01Å; M653-V655 HydrophobicContact CE-CG2 3.43Å; M653-V655 VanDerWaalsContact CE-CG2 3.43Å; M653-V655 HydrophobicContact CG-CG2 4.34Å
656	L	88	Confident	81.1	Confident	1 Å²	1	55 Å²	55	1%	0.005	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	120.1	176.7	180	83.9	0	0	0	109.8	V513 F514 D515 L532 L537 L658 V671 L675	V513-L656 PolarHBondContact O-N 3.25Å; F514-L656 HydrophobicContact CD1-CD2 3.66Å; F514-L656 HydrophobicContact CE1-CD2 3.95Å; D515-L656 PolarHBondContact N-O 3.44Å; L532-L656 HydrophobicContact CB-CD1 3.92Å; L532-L656 WeakPolarHBondContact O-CA 3.41Å; L537-L656 HydrophobicContact CD1-CD1 3.33Å; L656-L658 HydrophobicContact CD2-CD2 3.31Å; L656-L658 HydrophobicContact CD2-CG 3.9Å; L656-L658 HydrophobicContact CG-CD2 4.15Å; L656-L658 HydrophobicContact CG-CG 4.46Å; L656-V671 HydrophobicContact CD1-CG1 4.44Å; L656-V671 HydrophobicContact CD2-CG1 4.47Å; L656-L675 HydrophobicContact CB-CD1 4.48Å; L656-L675 HydrophobicContact CD1-CD1 3.98Å; L656-L675 HydrophobicContact CD2-CD1 3.22Å; L656-L675 HydrophobicContact CG-CD1 4.07Å
657	E	87.1	Confident	81	Confident	22 Å²	22	53.7 Å²	53.7	10%	0.103	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	112.8	171.4	-178.1	50.4	-131.8	0	0	110.6	G517 Y531 L532 D533 G659	G517-E657 WeakPolarHBondContact CA-OE1 3.35Å; G517-E657 WeakPolarHBondContact CA-OE2 3.46Å; G517-E657 PolarHBondContact N-OE1 2.78Å; G517-E657 VanDerWaalsContact N-OE1 3.13Å; G517-E657 PolarHBondContact N-OE2 3.21Å; Y531-E657 HydrophobicContact CE1-CB 4.32Å; Y531-E657 PolarHBondContact OH-OE2 2.82Å; L532-E657 PolarHBondContact O-N 2.86Å; D533-E657 HydrophobicContact CB-CB 4.46Å; E657-G659 PolarHBondContact OE1-N 3.07Å
658	L	79.7	Confident	80.9	Confident	7 Å²	7	54.5 Å²	54.5	4%	0.037	29%	0.292	C	S	.	.			trans	-89.2	-21.5	-177.1	-70.4	172.6	0	0	0	113.8	F514 D515 M516 L656 G660 L661 L668 M672 L702	F514-L658 HydrophobicContact CB-CD1 3.99Å; F514-L658 HydrophobicContact CD1-CD1 4.28Å; D515-L658 WeakPolarHBondContact O-CB 3.35Å; D515-L658 PolarHBondContact O-N 2.85Å; M516-L658 HydrophobicContact SD-CB 4.28Å; L656-L658 HydrophobicContact CD2-CD2 3.31Å; L656-L658 HydrophobicContact CD2-CG 3.9Å; L656-L658 HydrophobicContact CG-CD2 4.15Å; L656-L658 HydrophobicContact CG-CG 4.46Å; L658-G660 VanDerWaalsContact C-N 3.26Å; L658-G660 PolarHBondContact O-N 2.95Å; L658-L661 PolarHBondContact O-N 2.91Å; L658-L668 HydrophobicContact CD2-CD1 3.67Å; L658-M672 HydrophobicContact CD2-SD 3.99Å; L658-L702 HydrophobicContact CD1-CD1 3.48Å; L658-L702 VanDerWaalsContact CD1-CD1 3.48Å; L658-L702 HydrophobicContact CD1-CD2 3.87Å; L658-L702 HydrophobicContact CD1-CG 4.06Å
659	G	77	Confident	81	Confident	30 Å²	30	47.2 Å²	47.2	31%	0.309	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-56.4	-40.4	-175.5	0	0	0	0	0	112.7	E657 L661 E662	E657-G659 PolarHBondContact OE1-N 3.07Å; G659-L661 PolarHBondContact O-N 3.49Å; G659-L661 VanDerWaalsContact O-N 3.17Å; G659-E662 PolarHBondContact O-N 2.94Å
660	G	75.8	Confident	81.2	Confident	59 Å²	59	42.6 Å²	42.6	61%	0.608	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	-69.5	-8.9	179.1	0	0	0	0	0	115.7	L658	L658-G660 VanDerWaalsContact C-N 3.26Å; L658-G660 PolarHBondContact O-N 2.95Å
661	L	77.2	Confident	81.3	Confident	1 Å²	1	36.9 Å²	36.9	1%	0.005	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-107.7	-4.9	-179.4	-65.5	175.7	0	0	0	113.1	L658 G659 D663 R664 L667 L668 V671	L658-L661 PolarHBondContact O-N 2.91Å; G659-L661 PolarHBondContact O-N 3.49Å; G659-L661 VanDerWaalsContact O-N 3.17Å; L661-D663 VanDerWaalsContact C-N 3.32Å; L661-D663 PolarHBondContact O-N 3Å; L661-R664 CarbonylContact O-C 3.53Å; L661-R664 PolarHBondContact O-N 3.06Å; L661-L667 HydrophobicContact CD2-CD2 3.77Å; L661-L667 HydrophobicContact CD2-CG 4.19Å; L661-L668 HydrophobicContact CB-CB 4.47Å; L661-L668 HydrophobicContact CB-CD1 4.08Å; L661-V671 HydrophobicContact CD1-CB 4.3Å; L661-V671 HydrophobicContact CD1-CG1 3.98Å; L661-V671 HydrophobicContact CD1-CG2 4.19Å
662	E	73.6	Confident	81	Confident	83 Å²	83	36.8 Å²	36.8	39%	0.388	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-39.6	-174.5	-167.3	-179.9	160.7	0	0	112.6	M516 G659 R664 R701	M516-E662 WeakPolarHBondContact CE-OE2 3.44Å; G659-E662 PolarHBondContact O-N 2.94Å; E662-R664 PolarHBondContact O-N 3.23Å; E662-R664 VanDerWaalsContact O-N 3.11Å; E662-R701 IonicContact OE1-CZ 3.13Å; E662-R701 IonicContact OE1-NH1 2.72Å; E662-R701 PolarHBondContact OE1-NH1 3.44Å; E662-R701 IonicContact OE1-NH2 2.73Å
663	D	78.7	Confident	80.5	Confident	157 Å²	157	31.4 Å²	31.4	84%	0.84	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-3.3	177.8	-66.4	-29.1	0	0	0	113.6	L661	L661-D663 VanDerWaalsContact C-N 3.32Å; L661-D663 PolarHBondContact O-N 3Å
664	R	79.4	Confident	79.8	Confident	112 Å²	112	31.7 Å²	31.7	42%	0.423	19%	0.188	S	C	.	.			trans	-130.1	72.4	-175.5	-61.1	-176.9	-178.3	165.4	5.7	111.5	Y639 L661 E662 S666 L667 L668	Y639-R664 PolarHBondContact OH-NH1 3.37Å; L661-R664 CarbonylContact O-C 3.53Å; L661-R664 PolarHBondContact O-N 3.06Å; E662-R664 PolarHBondContact O-N 3.23Å; E662-R664 VanDerWaalsContact O-N 3.11Å; R664-S666 PolarHBondContact O-N 2.8Å; R664-L667 HydrophobicContact CB-CB 3.91Å; R664-L667 HydrophobicContact CB-CD2 4.34Å; R664-L667 WeakPolarHBondContact O-CB 3.45Å; R664-L667 PolarHBondContact O-N 3Å; R664-L667 VanDerWaalsContact O-N 3.1Å; R664-L668 WeakPolarHBondContact O-CB 3.21Å; R664-L668 PolarHBondContact O-N 3.12Å
665	P	74.1	Confident	79.2	Confident	83 Å²	83	31.8 Å²	31.8	54%	0.539	19%	0.188	S	C	.	.	H	α-helix	trans	-59.6	-39.8	-171.2	21.5	-33.5	0	0	0	114.4	L667 L668 V669	P665-L667 PolarHBondContact O-N 2.88Å; P665-L668 WeakPolarHBondContact O-CB 3.33Å; P665-L668 PolarHBondContact O-N 2.86Å; P665-V669 WeakPolarHBondContact O-CG2 3.38Å; P665-V669 PolarHBondContact O-N 3.09Å
666	S	74.5	Confident	78.6	Confident	55 Å²	55	32.1 Å²	32.1	39%	0.385	19%	0.19	S	C	.	.	H	α-helix	trans	-65.4	-39.3	177.5	-52.6	0	0	0	0	112.4	R664 A670	R664-S666 PolarHBondContact O-N 2.8Å; S666-A670 PolarHBondContact O-N 3.23Å
667	L	79.2	Confident	78.1	Confident	0 Å²	0	33 Å²	33	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-67.6	-44.2	175.4	177.8	59.7	0	0	0	110.4	Y636 Y639 F640 L661 R664 P665 V669 A670 V671	Y636-L667 HydrophobicContact CD1-CB 4.37Å; Y636-L667 HydrophobicContact CD1-CD1 3.95Å; Y636-L667 HydrophobicContact CD1-CD2 4.26Å; Y636-L667 HydrophobicContact CD1-CG 4.43Å; Y636-L667 HydrophobicContact CE1-CB 4.03Å; Y636-L667 HydrophobicContact CE1-CD1 4.44Å; Y636-L667 HydrophobicContact CE1-CD2 4.25Å; Y636-L667 HydrophobicContact CE1-CG 4.48Å; Y636-L667 HydrophobicContact CG-CD1 4.28Å; Y639-L667 HydrophobicContact CD2-CD1 3.97Å; Y639-L667 HydrophobicContact CD2-CD2 4.22Å; Y639-L667 HydrophobicContact CE1-CD2 4.42Å; Y639-L667 HydrophobicContact CE2-CD1 4.4Å; Y639-L667 HydrophobicContact CE2-CD2 3.81Å; Y639-L667 HydrophobicContact CG-CD1 4.05Å; F640-L667 HydrophobicContact CE2-CD1 3.47Å; F640-L667 VanDerWaalsContact CE2-CD1 3.47Å; F640-L667 HydrophobicContact CZ-CD1 3.88Å; L661-L667 HydrophobicContact CD2-CD2 3.77Å; L661-L667 HydrophobicContact CD2-CG 4.19Å; R664-L667 HydrophobicContact CB-CB 3.91Å; R664-L667 HydrophobicContact CB-CD2 4.34Å; R664-L667 WeakPolarHBondContact O-CB 3.45Å; R664-L667 PolarHBondContact O-N 3Å; R664-L667 VanDerWaalsContact O-N 3.1Å; P665-L667 PolarHBondContact O-N 2.88Å; L667-V669 PolarHBondContact O-N 2.7Å; L667-A670 PolarHBondContact O-N 3.39Å; L667-V671 HydrophobicContact CD1-CG2 4.02Å; L667-V671 HydrophobicContact CG-CG2 4.25Å; L667-V671 WeakPolarHBondContact O-CB 3.28Å; L667-V671 WeakPolarHBondContact O-CG2 3.42Å; L667-V671 PolarHBondContact O-N 3.46Å
668	L	78.4	Confident	77.8	Confident	20 Å²	20	32.3 Å²	32.3	11%	0.105	19%	0.191	C	C	.	.	H	α-helix	trans	-55.2	-49.4	177	178.2	59.8	0	0	0	111.1	L658 L661 R664 P665 A670 V671 M672 L702 F705	L658-L668 HydrophobicContact CD2-CD1 3.67Å; L661-L668 HydrophobicContact CB-CB 4.47Å; L661-L668 HydrophobicContact CB-CD1 4.08Å; R664-L668 WeakPolarHBondContact O-CB 3.21Å; R664-L668 PolarHBondContact O-N 3.12Å; P665-L668 WeakPolarHBondContact O-CB 3.33Å; P665-L668 PolarHBondContact O-N 2.86Å; L668-A670 PolarHBondContact O-N 2.95Å; L668-V671 PolarHBondContact O-N 3.5Å; L668-M672 HydrophobicContact CD1-CG 4.06Å; L668-M672 HydrophobicContact CG-CG 4.44Å; L668-M672 VanDerWaalsContact O-CB 3.29Å; L668-M672 WeakPolarHBondContact O-CB 3.45Å; L668-M672 WeakPolarHBondContact O-CG 3.05Å; L668-M672 PolarHBondContact O-N 3.05Å; L668-L702 HydrophobicContact CD1-CD2 4.47Å; L668-F705 HydrophobicContact CD2-CE1 4.39Å; L668-F705 HydrophobicContact CD2-CZ 3.72Å; L668-F705 HydrophobicContact CG-CZ 3.94Å
669	V	77.2	Confident	78.1	Confident	11 Å²	11	32 Å²	32	7%	0.067	19%	0.189	C	C	.	.	H	α-helix	trans	-60	-43	177.6	174.2	0	0	0	0	112	V561 P565 P665 L667 M672 F673 F705	V561-V669 HydrophobicContact CG1-CG1 3.59Å; P565-V669 HydrophobicContact CB-CB 4.33Å; P565-V669 HydrophobicContact CB-CG1 4.03Å; P665-V669 WeakPolarHBondContact O-CG2 3.38Å; P665-V669 PolarHBondContact O-N 3.09Å; L667-V669 PolarHBondContact O-N 2.7Å; V669-M672 PolarHBondContact O-N 2.85Å; V669-F673 PolarHBondContact O-N 2.96Å; V669-F705 HydrophobicContact CG2-CD1 4.01Å; V669-F705 HydrophobicContact CG2-CE1 3.97Å; V669-F705 HydrophobicContact CG2-CG 4.45Å; V669-F705 HydrophobicContact CG2-CZ 4.34Å
670	A	78.7	Confident	78.4	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-64.7	-43.9	177.6	0	0	0	0	0	112.8	M562 Y630 F640 S666 L667 L668 M672 F673 S674	M562-A670 HydrophobicContact CG-CB 3.78Å; Y630-A670 HydrophobicContact CE1-CB 4.21Å; F640-A670 HydrophobicContact CE1-CB 3.96Å; F640-A670 HydrophobicContact CE2-CB 3.97Å; F640-A670 HydrophobicContact CZ-CB 3.39Å; S666-A670 PolarHBondContact O-N 3.23Å; L667-A670 PolarHBondContact O-N 3.39Å; L668-A670 PolarHBondContact O-N 2.95Å; A670-M672 VanDerWaalsContact C-N 3.33Å; A670-F673 PolarHBondContact O-N 2.87Å; A670-S674 PolarHBondContact O-N 3.2Å; A670-S674 VanDerWaalsContact O-N 3.11Å; A670-S674 PolarHBondContact O-OG 3.38Å
671	V	80.4	Confident	78.7	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-61.3	-45.9	176.1	165	0	0	0	0	110	L537 F539 F640 L656 L661 L667 L668 F673 S674 L675	L537-V671 HydrophobicContact CD1-CG1 3.63Å; L537-V671 HydrophobicContact CD1-CG2 4.45Å; L537-V671 HydrophobicContact CD2-CG1 4.34Å; L537-V671 HydrophobicContact CD2-CG2 3.78Å; F539-V671 HydrophobicContact CE2-CB 4.21Å; F539-V671 HydrophobicContact CE2-CG1 3.94Å; F539-V671 HydrophobicContact CE2-CG2 4.16Å; F539-V671 HydrophobicContact CZ-CG1 4.3Å; F640-V671 HydrophobicContact CE1-CG2 4.24Å; F640-V671 HydrophobicContact CZ-CB 4.44Å; F640-V671 HydrophobicContact CZ-CG2 3.64Å; L656-V671 HydrophobicContact CD1-CG1 4.44Å; L656-V671 HydrophobicContact CD2-CG1 4.47Å; L661-V671 HydrophobicContact CD1-CB 4.3Å; L661-V671 HydrophobicContact CD1-CG1 3.98Å; L661-V671 HydrophobicContact CD1-CG2 4.19Å; L667-V671 HydrophobicContact CD1-CG2 4.02Å; L667-V671 HydrophobicContact CG-CG2 4.25Å; L667-V671 WeakPolarHBondContact O-CB 3.28Å; L667-V671 WeakPolarHBondContact O-CG2 3.42Å; L667-V671 PolarHBondContact O-N 3.46Å; L668-V671 PolarHBondContact O-N 3.5Å; V671-F673 PolarHBondContact O-N 2.81Å; V671-S674 WeakPolarHBondContact O-CB 3.49Å; V671-S674 PolarHBondContact O-N 3.17Å; V671-L675 HydrophobicContact CG1-CD1 3.9Å; V671-L675 WeakPolarHBondContact O-CG 3.5Å; V671-L675 PolarHBondContact O-N 2.83Å
672	M	76.3	Confident	79.2	Confident	5 Å²	5	30.6 Å²	30.6	3%	0.025	16%	0.159	C	C	.	.	H	α-helix	trans	-59.9	-47.5	178.9	-75.2	-57.2	-55.2	0	0	112.2	F514 L658 L668 V669 A670 S674 L675 I676 L702	F514-M672 HydrophobicContact CD1-CE 3.96Å; F514-M672 HydrophobicContact CD1-SD 3.92Å; F514-M672 HydrophobicContact CE1-CE 3.49Å; F514-M672 VanDerWaalsContact CE1-CE 3.49Å; F514-M672 HydrophobicContact CE1-SD 3.65Å; F514-M672 HydrophobicContact CZ-CE 3.98Å; L658-M672 HydrophobicContact CD2-SD 3.99Å; L668-M672 HydrophobicContact CD1-CG 4.06Å; L668-M672 HydrophobicContact CG-CG 4.44Å; L668-M672 VanDerWaalsContact O-CB 3.29Å; L668-M672 WeakPolarHBondContact O-CB 3.45Å; L668-M672 WeakPolarHBondContact O-CG 3.05Å; L668-M672 PolarHBondContact O-N 3.05Å; V669-M672 PolarHBondContact O-N 2.85Å; A670-M672 VanDerWaalsContact C-N 3.33Å; M672-S674 VanDerWaalsContact C-N 3.28Å; M672-S674 PolarHBondContact O-N 3.3Å; M672-L675 PolarHBondContact O-N 3.3Å; M672-I676 WeakPolarHBondContact O-CB 3.24Å; M672-I676 VanDerWaalsContact O-CG1 3.3Å; M672-I676 WeakPolarHBondContact O-CG1 3.41Å; M672-I676 PolarHBondContact O-N 2.95Å; M672-L702 HydrophobicContact CE-CB 4.12Å; M672-L702 HydrophobicContact CE-CD1 3.74Å; M672-L702 HydrophobicContact CE-CD2 3.73Å; M672-L702 HydrophobicContact CE-CG 4.05Å; M672-L702 HydrophobicContact CG-CD2 3.85Å; M672-L702 HydrophobicContact SD-CD1 4.15Å; M672-L702 HydrophobicContact SD-CD2 3.5Å; M672-L702 VanDerWaalsContact SD-CD2 3.5Å; M672-L702 HydrophobicContact SD-CG 4.36Å
673	F	77.4	Confident	79.8	Confident	13 Å²	13	26.9 Å²	26.9	6%	0.057	14%	0.142	C	C	.	.	H	α-helix	trans	-61.8	-37.8	177.9	-155.7	-84.8	0	0	0	112.5	D557 Q558 V561 V669 A670 V671 L675 I676 I677 K709 V710	D557-F673 HydrophobicContact CB-CE1 3.89Å; D557-F673 HydrophobicContact CB-CZ 3.63Å; Q558-F673 HydrophobicContact CB-CD1 3.63Å; Q558-F673 HydrophobicContact CB-CE1 3.81Å; Q558-F673 HydrophobicContact CG-CD1 3.89Å; V561-F673 HydrophobicContact CB-CD2 4.04Å; V561-F673 HydrophobicContact CB-CE2 4.43Å; V561-F673 HydrophobicContact CB-CG 4.19Å; V561-F673 HydrophobicContact CG1-CB 4.16Å; V561-F673 HydrophobicContact CG1-CD2 3.98Å; V561-F673 HydrophobicContact CG1-CG 4.18Å; V561-F673 HydrophobicContact CG2-CD2 3.76Å; V561-F673 HydrophobicContact CG2-CE2 3.71Å; V561-F673 HydrophobicContact CG2-CG 4.35Å; V561-F673 HydrophobicContact CG2-CZ 4.26Å; V669-F673 PolarHBondContact O-N 2.96Å; A670-F673 PolarHBondContact O-N 2.87Å; V671-F673 PolarHBondContact O-N 2.81Å; F673-L675 VanDerWaalsContact C-N 3.32Å; F673-L675 PolarHBondContact O-N 3.2Å; F673-I676 WeakPolarHBondContact O-CB 3.44Å; F673-I676 PolarHBondContact O-N 2.99Å; F673-I677 HydrophobicContact CD1-CD1 3.85Å; F673-I677 HydrophobicContact CD1-CG1 4.3Å; F673-I677 HydrophobicContact CE1-CD1 3.74Å; F673-I677 HydrophobicContact CE1-CG1 4.16Å; F673-I677 PolarHBondContact O-N 2.71Å; F673-I677 VanDerWaalsContact O-N 3.17Å; F673-K709 HydrophobicContact CE2-CB 3.98Å; F673-V710 HydrophobicContact CD2-CG2 4.34Å
674	S	78.7	Confident	80.2	Confident	7 Å²	7	21.9 Å²	21.9	5%	0.049	11%	0.111	C	C	.	.	H	α-helix	trans	-62.8	-40.3	176.9	-54.3	0	0	0	0	111.8	Q558 F640 A670 V671 M672 Y678	Q558-S674 VanDerWaalsContact NE2-CB 3.33Å; Q558-S674 PolarHBondContact NE2-OG 2.59Å; F640-S674 WeakPolarHBondContact CE1-OG 3.47Å; A670-S674 PolarHBondContact O-N 3.2Å; A670-S674 VanDerWaalsContact O-N 3.11Å; A670-S674 PolarHBondContact O-OG 3.38Å; V671-S674 WeakPolarHBondContact O-CB 3.49Å; V671-S674 PolarHBondContact O-N 3.17Å; M672-S674 VanDerWaalsContact C-N 3.28Å; M672-S674 PolarHBondContact O-N 3.3Å; S674-Y678 PolarHBondContact O-N 3.48Å
675	L	80	Confident	80.4	Confident	1 Å²	1	20.6 Å²	20.6	1%	0.005	11%	0.106	C	C	.	.	H	α-helix	trans	-72.8	-37	177.4	-72.3	164.4	0	0	0	113	F514 F539 L647 L656 V671 M672 F673 I677 Y678 I679	F514-L675 HydrophobicContact CE1-CB 4.11Å; F514-L675 HydrophobicContact CE1-CD1 3.71Å; F514-L675 HydrophobicContact CZ-CB 4.12Å; F514-L675 HydrophobicContact CZ-CD1 4.48Å; F539-L675 HydrophobicContact CE1-CD2 4.28Å; F539-L675 HydrophobicContact CE1-CG 4.46Å; F539-L675 HydrophobicContact CZ-CD1 4.44Å; F539-L675 HydrophobicContact CZ-CD2 4.06Å; F539-L675 HydrophobicContact CZ-CG 3.86Å; L647-L675 HydrophobicContact CD1-CD2 3.57Å; L656-L675 HydrophobicContact CB-CD1 4.48Å; L656-L675 HydrophobicContact CD1-CD1 3.98Å; L656-L675 HydrophobicContact CD2-CD1 3.22Å; L656-L675 HydrophobicContact CG-CD1 4.07Å; V671-L675 HydrophobicContact CG1-CD1 3.9Å; V671-L675 WeakPolarHBondContact O-CG 3.5Å; V671-L675 PolarHBondContact O-N 2.83Å; M672-L675 PolarHBondContact O-N 3.3Å; F673-L675 VanDerWaalsContact C-N 3.32Å; F673-L675 PolarHBondContact O-N 3.2Å; L675-I677 VanDerWaalsContact C-N 3.3Å; L675-I677 PolarHBondContact O-N 3.25Å; L675-Y678 WeakPolarHBondContact O-CB 3.33Å; L675-Y678 PolarHBondContact O-N 2.97Å; L675-Y678 VanDerWaalsContact O-N 3.15Å; L675-I679 WeakPolarHBondContact O-CB 3.22Å; L675-I679 VanDerWaalsContact O-CG1 3.27Å; L675-I679 WeakPolarHBondContact O-CG1 3.45Å; L675-I679 PolarHBondContact O-N 3.23Å
676	I	78.2	Confident	81.1	Confident	7 Å²	7	18.4 Å²	18.4	4%	0.036	9%	0.091	C	C	.	.	H	α-helix	trans	-53.2	-50.3	173.2	-82.4	171.8	0	0	0	110	M672 F673 Y678 I679 E680 V710 F713	M672-I676 WeakPolarHBondContact O-CB 3.24Å; M672-I676 VanDerWaalsContact O-CG1 3.3Å; M672-I676 WeakPolarHBondContact O-CG1 3.41Å; M672-I676 PolarHBondContact O-N 2.95Å; F673-I676 WeakPolarHBondContact O-CB 3.44Å; F673-I676 PolarHBondContact O-N 2.99Å; I676-Y678 VanDerWaalsContact C-N 3.35Å; I676-Y678 PolarHBondContact O-N 2.93Å; I676-I679 PolarHBondContact O-N 3.42Å; I676-E680 WeakPolarHBondContact O-CB 3.48Å; I676-E680 PolarHBondContact O-N 3.18Å; I676-V710 HydrophobicContact CD1-CB 4.46Å; I676-V710 HydrophobicContact CD1-CG1 3.96Å; I676-V710 HydrophobicContact CD1-CG2 4.3Å; I676-F713 HydrophobicContact CB-CD1 4.14Å; I676-F713 HydrophobicContact CB-CD2 4.38Å; I676-F713 HydrophobicContact CB-CE1 4.07Å; I676-F713 HydrophobicContact CB-CE2 4.23Å; I676-F713 HydrophobicContact CB-CG 4.3Å; I676-F713 HydrophobicContact CB-CZ 4.08Å; I676-F713 HydrophobicContact CD1-CD1 3.84Å; I676-F713 HydrophobicContact CD1-CE1 4.35Å; I676-F713 HydrophobicContact CD1-CG 4.28Å; I676-F713 HydrophobicContact CG1-CD1 3.56Å; I676-F713 HydrophobicContact CG1-CE1 3.58Å; I676-F713 HydrophobicContact CG1-CG 4.14Å; I676-F713 HydrophobicContact CG1-CZ 4.1Å; I676-F713 HydrophobicContact CG2-CB 4.08Å; I676-F713 HydrophobicContact CG2-CD1 3.77Å; I676-F713 HydrophobicContact CG2-CD2 3.31Å; I676-F713 HydrophobicContact CG2-CE1 3.99Å; I676-F713 HydrophobicContact CG2-CE2 3.47Å; I676-F713 VanDerWaalsContact CG2-CE2 3.47Å; I676-F713 HydrophobicContact CG2-CG 3.42Å; I676-F713 VanDerWaalsContact CG2-CG 3.42Å; I676-F713 HydrophobicContact CG2-CZ 3.83Å; I676-F713 WeakPolarHBondContact O-CE2 3.36Å; I676-F713 WeakPolarHBondContact O-CZ 2.95Å
677	I	77.4	Confident	81.9	Confident	19 Å²	19	19.7 Å²	19.7	10%	0.097	10%	0.099	C	C	.	.	H	α-helix	trans	-61.4	-44.3	176.9	-68.5	171.3	0	0	0	111.4	R554 Q558 F673 L675 E680 N681	R554-I677 HydrophobicContact CB-CD1 4.26Å; R554-I677 HydrophobicContact CB-CG1 4.39Å; R554-I677 WeakPolarHBondContact O-CD1 3.15Å; Q558-I677 HydrophobicContact CB-CD1 3.63Å; Q558-I677 HydrophobicContact CG-CD1 4.06Å; F673-I677 HydrophobicContact CD1-CD1 3.85Å; F673-I677 HydrophobicContact CD1-CG1 4.3Å; F673-I677 HydrophobicContact CE1-CD1 3.74Å; F673-I677 HydrophobicContact CE1-CG1 4.16Å; F673-I677 PolarHBondContact O-N 2.71Å; F673-I677 VanDerWaalsContact O-N 3.17Å; L675-I677 VanDerWaalsContact C-N 3.3Å; L675-I677 PolarHBondContact O-N 3.25Å; I677-E680 PolarHBondContact O-N 3.09Å; I677-N681 WeakPolarHBondContact O-CB 3.27Å; I677-N681 PolarHBondContact O-N 3.41Å; I677-N681 PolarHBondContact O-ND2 2.94Å
678	Y	82.8	Confident	82.4	Confident	8 Å²	8	27.5 Å²	27.5	3%	0.031	13%	0.128	C	C	.	.	H	α-helix	trans	-60.1	-47.5	177.8	173.9	-101.3	0	0	0	112	F510 V512 L647 R648 V654 S674 L675 I676 N681 R682	F510-Y678 AromaticContact CZ-CE1 3.85Å; F510-Y678 HydrophobicContact CZ-CE1 3.85Å; V512-Y678 HydrophobicContact CG2-CE1 4.42Å; L647-Y678 HydrophobicContact CB-CD2 4.08Å; L647-Y678 HydrophobicContact CB-CE2 3.87Å; L647-Y678 HydrophobicContact CD1-CD1 3.78Å; L647-Y678 HydrophobicContact CD1-CD2 3.95Å; L647-Y678 HydrophobicContact CD1-CE1 4.12Å; L647-Y678 HydrophobicContact CD1-CE2 4.29Å; L647-Y678 HydrophobicContact CD1-CG 3.65Å; L647-Y678 HydrophobicContact CD2-CE1 4.14Å; R648-Y678 PolarHBondContact O-OH 3.21Å; R648-Y678 VanDerWaalsContact O-OH 3.1Å; V654-Y678 HydrophobicContact CG2-CE1 4.06Å; S674-Y678 PolarHBondContact O-N 3.48Å; L675-Y678 WeakPolarHBondContact O-CB 3.33Å; L675-Y678 PolarHBondContact O-N 2.97Å; L675-Y678 VanDerWaalsContact O-N 3.15Å; I676-Y678 VanDerWaalsContact C-N 3.35Å; I676-Y678 PolarHBondContact O-N 2.93Å; Y678-N681 PolarHBondContact O-N 3.17Å; Y678-R682 HydrophobicContact CD1-CG 4.46Å; Y678-R682 HydrophobicContact CD2-CG 4.47Å; Y678-R682 HydrophobicContact CE1-CG 4.11Å; Y678-R682 HydrophobicContact CE2-CG 4.11Å; Y678-R682 WeakPolarHBondContact O-CB 3.47Å; Y678-R682 WeakPolarHBondContact O-CG 3.22Å; Y678-R682 PolarHBondContact O-N 3.09Å; Y678-R682 PolarHBondContact OH-NH2 3.34Å
679	I	85.6	Confident	83	Confident	2 Å²	2	33 Å²	33	1%	0.01	16%	0.157	C	C	.	.	H	α-helix	trans	-63	-43.5	176.9	-68.1	161.3	0	0	0	110.2	V512 F514 L675 I676 N681 R682 M683 N694 F713	V512-I679 HydrophobicContact CB-CD1 4.41Å; V512-I679 HydrophobicContact CB-CG1 4.22Å; V512-I679 HydrophobicContact CG1-CD1 3.97Å; V512-I679 HydrophobicContact CG1-CG1 4.09Å; V512-I679 HydrophobicContact CG2-CG1 3.99Å; F514-I679 HydrophobicContact CE2-CD1 3.42Å; F514-I679 VanDerWaalsContact CE2-CD1 3.42Å; F514-I679 HydrophobicContact CZ-CD1 3.39Å; L675-I679 WeakPolarHBondContact O-CB 3.22Å; L675-I679 VanDerWaalsContact O-CG1 3.27Å; L675-I679 WeakPolarHBondContact O-CG1 3.45Å; L675-I679 PolarHBondContact O-N 3.23Å; I676-I679 PolarHBondContact O-N 3.42Å; I679-N681 VanDerWaalsContact C-N 3.35Å; I679-N681 PolarHBondContact O-N 2.78Å; I679-R682 CarbonylContact O-C 3.56Å; I679-R682 PolarHBondContact O-N 2.79Å; I679-M683 WeakPolarHBondContact O-CA 3.33Å; I679-M683 WeakPolarHBondContact O-CB 3.2Å; I679-M683 PolarHBondContact O-N 2.88Å; I679-N694 HydrophobicContact CG2-CB 4.41Å; I679-F713 HydrophobicContact CB-CZ 4.47Å; I679-F713 HydrophobicContact CG2-CZ 4.36Å
680	E	83.2	Confident	83.7	Confident	21 Å²	21	34.7 Å²	34.7	10%	0.098	17%	0.166	C	C	.	.	H	α-helix	trans	-59.5	-46.6	177.3	-127	175.9	-177	0	0	111.1	R554 I676 I677 M683 Y684 F713 K716	R554-E680 IonicContact NE-OE2 3.07Å; I676-E680 WeakPolarHBondContact O-CB 3.48Å; I676-E680 PolarHBondContact O-N 3.18Å; I677-E680 PolarHBondContact O-N 3.09Å; E680-M683 PolarHBondContact O-N 3.38Å; E680-Y684 HydrophobicContact CB-CD2 4.28Å; E680-Y684 HydrophobicContact CB-CE2 4.47Å; E680-Y684 HydrophobicContact CG-CD2 3.61Å; E680-Y684 HydrophobicContact CG-CE2 3.5Å; E680-Y684 VanDerWaalsContact CG-CE2 3.5Å; E680-Y684 WeakPolarHBondContact O-CB 3.43Å; E680-Y684 WeakPolarHBondContact O-CD2 3.28Å; E680-Y684 PolarHBondContact O-N 2.85Å; E680-F713 HydrophobicContact CB-CE2 3.88Å; E680-F713 HydrophobicContact CG-CD2 4.11Å; E680-F713 HydrophobicContact CG-CE2 3.46Å; E680-F713 VanDerWaalsContact CG-CE2 3.46Å; E680-F713 HydrophobicContact CG-CZ 4.48Å; E680-K716 IonicContact OE1-NZ 2.73Å; E680-K716 PolarHBondContact OE1-NZ 3.04Å
681	N	82.5	Confident	84.5	Confident	23 Å²	23	36.4 Å²	36.4	12%	0.123	17%	0.173	C	C	.	.	H	α-helix	trans	-59.6	-50.2	175.2	-76.2	-26.6	0	0	0	111	I677 Y678 I679 M683 R685	I677-N681 WeakPolarHBondContact O-CB 3.27Å; I677-N681 PolarHBondContact O-N 3.41Å; I677-N681 PolarHBondContact O-ND2 2.94Å; Y678-N681 PolarHBondContact O-N 3.17Å; I679-N681 VanDerWaalsContact C-N 3.35Å; I679-N681 PolarHBondContact O-N 2.78Å; N681-M683 VanDerWaalsContact C-N 3.31Å; N681-M683 PolarHBondContact O-N 2.96Å; N681-R685 WeakPolarHBondContact O-CA 3.3Å; N681-R685 WeakPolarHBondContact O-CB 3.42Å; N681-R685 PolarHBondContact O-N 3.39Å; N681-R685 WeakPolarHBondContact OD1-CD 3.41Å; N681-R685 PolarHBondContact OD1-NH1 3.05Å
682	R	86.5	Confident	85.2	Confident	16 Å²	16	36.4 Å²	36.4	6%	0.06	17%	0.174	C	C	.	.	H	α-helix	trans	-63.4	-35.4	177.6	-71.7	-60.9	-160.5	90.7	-0.8	112.7	F510 R648 D649 A651 Y678 I679 T686	F510-R682 HydrophobicContact CD1-CB 3.95Å; F510-R682 HydrophobicContact CD1-CG 4.44Å; F510-R682 HydrophobicContact CE1-CB 3.46Å; F510-R682 VanDerWaalsContact CE1-CB 3.46Å; F510-R682 HydrophobicContact CE1-CG 3.74Å; F510-R682 HydrophobicContact CZ-CB 4.12Å; F510-R682 HydrophobicContact CZ-CG 3.85Å; R648-R682 PolarHBondContact O-NH2 3.09Å; D649-R682 VanDerWaalsContact CA-NH2 3.26Å; D649-R682 VanDerWaalsContact O-CZ 3.25Å; D649-R682 PolarHBondContact O-NH2 2.81Å; D649-R682 IonicContact OD1-NE 2.66Å; A651-R682 PolarHBondContact O-NH1 2.95Å; A651-R682 PolarHBondContact O-NH2 2.77Å; Y678-R682 HydrophobicContact CD1-CG 4.46Å; Y678-R682 HydrophobicContact CD2-CG 4.47Å; Y678-R682 HydrophobicContact CE1-CG 4.11Å; Y678-R682 HydrophobicContact CE2-CG 4.11Å; Y678-R682 WeakPolarHBondContact O-CB 3.47Å; Y678-R682 WeakPolarHBondContact O-CG 3.22Å; Y678-R682 PolarHBondContact O-N 3.09Å; Y678-R682 PolarHBondContact OH-NH2 3.34Å; I679-R682 CarbonylContact O-C 3.56Å; I679-R682 PolarHBondContact O-N 2.79Å; R682-T686 WeakPolarHBondContact O-CB 3.46Å; R682-T686 VanDerWaalsContact O-CG2 3.24Å; R682-T686 WeakPolarHBondContact O-CG2 3.27Å; R682-T686 PolarHBondContact O-OG1 3.44Å
683	M	87.5	Confident	86.1	Confident	5 Å²	5	36.3 Å²	36.3	3%	0.025	17%	0.173	C	C	.	.	H	α-helix	trans	-71.2	-50.1	-178.9	-169.3	67.2	74.3	0	0	111.1	I679 E680 N681 K692 A721 G726 Y728	I679-M683 WeakPolarHBondContact O-CA 3.33Å; I679-M683 WeakPolarHBondContact O-CB 3.2Å; I679-M683 PolarHBondContact O-N 2.88Å; E680-M683 PolarHBondContact O-N 3.38Å; N681-M683 VanDerWaalsContact C-N 3.31Å; N681-M683 PolarHBondContact O-N 2.96Å; M683-K692 HydrophobicContact CE-CB 4.43Å; M683-K692 WeakPolarHBondContact O-CD 3.22Å; M683-K692 PolarHBondContact O-NZ 2.85Å; M683-K692 HydrophobicContact SD-CB 3.82Å; M683-K692 HydrophobicContact SD-CD 4.03Å; M683-A721 HydrophobicContact SD-CB 4.37Å; M683-G726 VanDerWaalsContact SD-CA 3.56Å; M683-Y728 HydrophobicContact CE-CD2 4.46Å; M683-Y728 HydrophobicContact CE-CE2 3.83Å
684	Y	86.4	Confident	86.9	Confident	52 Å²	52	35.9 Å²	35.9	20%	0.204	17%	0.171	C	C	.	.	H	α-helix	trans	-102.2	-21.9	-166.3	-57.6	-64.4	0	0	0	114.8	E680 T720 H724	E680-Y684 HydrophobicContact CB-CD2 4.28Å; E680-Y684 HydrophobicContact CB-CE2 4.47Å; E680-Y684 HydrophobicContact CG-CD2 3.61Å; E680-Y684 HydrophobicContact CG-CE2 3.5Å; E680-Y684 VanDerWaalsContact CG-CE2 3.5Å; E680-Y684 WeakPolarHBondContact O-CB 3.43Å; E680-Y684 WeakPolarHBondContact O-CD2 3.28Å; E680-Y684 PolarHBondContact O-N 2.85Å; Y684-T720 PolarHBondContact OH-OG1 2.99Å; Y684-H724 HydrophobicContact CD1-CB 4.42Å; Y684-H724 AromaticContact CD1-CD2 3.51Å; Y684-H724 AromaticContact CD1-CE1 3.86Å; Y684-H724 AromaticContact CD1-CG 3.72Å; Y684-H724 AromaticContact CD1-ND1 3.93Å; Y684-H724 AromaticContact CD1-NE2 3.65Å; Y684-H724 AromaticContact CE1-CD2 3.9Å
685	R	84.2	Confident	87.6	Confident	84 Å²	84	35.5 Å²	35.5	32%	0.317	17%	0.169	S	C	.	.	S	Bend	trans	-103.6	-4.1	-177.5	-58.8	-179.6	162.1	168.8	-17	114.7	S551 N681	S551-R685 PolarHBondContact OG-NH1 3.03Å; S551-R685 PolarHBondContact OG-NH2 3.21Å; N681-R685 WeakPolarHBondContact O-CA 3.3Å; N681-R685 WeakPolarHBondContact O-CB 3.42Å; N681-R685 PolarHBondContact O-N 3.39Å; N681-R685 WeakPolarHBondContact OD1-CD 3.41Å; N681-R685 PolarHBondContact OD1-NH1 3.05Å
686	T	88.2	Confident	88.1	Confident	37 Å²	37	35.8 Å²	35.8	23%	0.227	17%	0.17	C	C	.	.	S	Bend	trans	-91.5	163.3	168.6	63	0	0	0	0	110.8	R682 R688 K692	R682-T686 WeakPolarHBondContact O-CB 3.46Å; R682-T686 VanDerWaalsContact O-CG2 3.24Å; R682-T686 WeakPolarHBondContact O-CG2 3.27Å; R682-T686 PolarHBondContact O-OG1 3.44Å; T686-R688 PolarHBondContact O-N 3.48Å; T686-K692 PolarHBondContact O-NZ 3.14Å; T686-K692 WeakPolarHBondContact OG1-CE 3.46Å; T686-K692 PolarHBondContact OG1-NZ 3.31Å; T686-K692 VanDerWaalsContact OG1-NZ 3.1Å
687	P	90.3	Very high	88.6	Confident	83 Å²	83	35.8 Å²	35.8	54%	0.539	17%	0.171	S	C	.	.			trans	-48.3	136	-178.8	-29.8	36.5	0	0	0	113.2	N689 L690 K692	P687-N689 VanDerWaalsContact CB-OD1 3.23Å; P687-N689 WeakPolarHBondContact CB-OD1 3.24Å; P687-N689 PolarHBondContact O-N 2.94Å; P687-L690 VanDerWaalsContact O-CB 3.3Å; P687-L690 WeakPolarHBondContact O-CB 3.35Å; P687-L690 PolarHBondContact O-N 3.07Å; P687-K692 WeakPolarHBondContact O-CE 3.39Å; P687-K692 PolarHBondContact O-NZ 3.1Å
688	R	91.1	Very high	88.8	Confident	164 Å²	164	36.3 Å²	36.3	62%	0.619	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-19.6	-174.3	-68.7	-170	178.3	-166.5	-0.2	114	T686 H724 T725	T686-R688 PolarHBondContact O-N 3.48Å; R688-H724 CarbonylContact O-C 3.58Å; R688-H724 VanDerWaalsContact O-C 3.31Å; R688-T725 VanDerWaalsContact O-CB 3.28Å; R688-T725 WeakPolarHBondContact O-CB 3.11Å; R688-T725 PolarHBondContact O-OG1 2.81Å
689	N	90.2	Very high	87.8	Confident	134 Å²	134	36 Å²	36	72%	0.717	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-8.8	177.6	63.4	-38.3	0	0	0	113.3	P687	P687-N689 VanDerWaalsContact CB-OD1 3.23Å; P687-N689 WeakPolarHBondContact CB-OD1 3.24Å; P687-N689 PolarHBondContact O-N 2.94Å
690	L	92.6	Very high	86.5	Confident	48 Å²	48	39.6 Å²	39.6	25%	0.251	19%	0.185	S	C	.	.	S	Bend	trans	-73.3	129.1	177.5	-170.1	72.5	0	0	0	110	G508 P687 K692 T725	G508-L690 VanDerWaalsContact O-CD1 3.23Å; G508-L690 WeakPolarHBondContact O-CD1 3.15Å; P687-L690 VanDerWaalsContact O-CB 3.3Å; P687-L690 WeakPolarHBondContact O-CB 3.35Å; P687-L690 PolarHBondContact O-N 3.07Å; L690-K692 HydrophobicContact CD2-CG 4.46Å; L690-K692 VanDerWaalsContact O-CE 3.23Å; L690-K692 WeakPolarHBondContact O-CE 3.07Å; L690-T725 WeakPolarHBondContact O-CB 3.33Å
691	K	94.6	Very high	85.4	Confident	35 Å²	35	45.1 Å²	45.1	15%	0.152	21%	0.205	C	C	.	.			trans	-69.4	128.3	172.9	-66	-178.2	-178.5	-178.2	0	109.4	E117 F472 V504 G509 F510 T725	E117-K691 IonicContact OE2-NZ 2.75Å; E117-K691 PolarHBondContact OE2-NZ 3.02Å; E117-K691 VanDerWaalsContact OE2-NZ 3.11Å; F472-K691 HydrophobicContact CD2-CB 4.47Å; F472-K691 HydrophobicContact CD2-CD 3.88Å; F472-K691 HydrophobicContact CD2-CG 4.12Å; F472-K691 HydrophobicContact CE2-CB 4.18Å; F472-K691 HydrophobicContact CE2-CD 4.32Å; F472-K691 HydrophobicContact CE2-CG 4.34Å; F472-K691 HydrophobicContact CG-CD 4.27Å; F472-K691 HydrophobicContact CG-CG 4.21Å; F472-K691 HydrophobicContact CZ-CB 4.25Å; V504-K691 HydrophobicContact CG1-CB 3.93Å; V504-K691 HydrophobicContact CG2-CB 4.42Å; G509-K691 CarbonylContact C-O 3.52Å; G509-K691 WeakPolarHBondContact CA-O 3.39Å; F510-K691 PolarHBondContact N-O 2.76Å; K691-T725 HydrophobicContact CG-CG2 4.11Å
692	K	95.5	Very high	84.2	Confident	1 Å²	1	44.4 Å²	44.4	0%	0.004	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	132.2	-176.7	-60.7	157.1	-150.6	166.6	0	110.5	F510 M683 T686 P687 L690 H724 T725 G726 A727	F510-K692 CarbonylContact O-C 3.49Å; F510-K692 WeakPolarHBondContact O-CA 3.34Å; M683-K692 HydrophobicContact CE-CB 4.43Å; M683-K692 WeakPolarHBondContact O-CD 3.22Å; M683-K692 PolarHBondContact O-NZ 2.85Å; M683-K692 HydrophobicContact SD-CB 3.82Å; M683-K692 HydrophobicContact SD-CD 4.03Å; T686-K692 PolarHBondContact O-NZ 3.14Å; T686-K692 WeakPolarHBondContact OG1-CE 3.46Å; T686-K692 PolarHBondContact OG1-NZ 3.31Å; T686-K692 VanDerWaalsContact OG1-NZ 3.1Å; P687-K692 WeakPolarHBondContact O-CE 3.39Å; P687-K692 PolarHBondContact O-NZ 3.1Å; L690-K692 HydrophobicContact CD2-CG 4.46Å; L690-K692 VanDerWaalsContact O-CE 3.23Å; L690-K692 WeakPolarHBondContact O-CE 3.07Å; K692-H724 PolarHBondContact NZ-O 3.48Å; K692-T725 PolarHBondContact N-O 3.21Å; K692-G726 CarbonylContact O-C 3.55Å; K692-G726 WeakPolarHBondContact O-CA 3.43Å; K692-A727 PolarHBondContact O-N 2.97Å
693	L	95.9	Very high	82.8	Confident	2 Å²	2	44 Å²	44	1%	0.01	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	132.9	-177.5	-161	63.2	0	0	0	110.9	I471 I501 F510 A511 V512 V695 A727 I729	I471-L693 HydrophobicContact CD1-CD1 3.97Å; I501-L693 HydrophobicContact CG1-CD2 3.77Å; F510-L693 PolarHBondContact O-N 3.07Å; A511-L693 CarbonylContact C-O 3.56Å; A511-L693 VanDerWaalsContact CA-O 3.29Å; A511-L693 WeakPolarHBondContact CA-O 3.29Å; A511-L693 HydrophobicContact CB-CB 4.29Å; V512-L693 PolarHBondContact N-O 3.36Å; L693-V695 HydrophobicContact CD2-CG2 3.8Å; L693-V695 HydrophobicContact CG-CG2 3.83Å; L693-A727 WeakPolarHBondContact CA-O 3.28Å; L693-A727 HydrophobicContact CD1-CB 3.73Å; L693-I729 HydrophobicContact CD1-CD1 3.75Å; L693-I729 HydrophobicContact CD1-CG1 3.72Å; L693-I729 HydrophobicContact CD2-CD1 4.01Å; L693-I729 HydrophobicContact CG-CD1 4.24Å; L693-I729 HydrophobicContact CG-CG1 4.35Å
694	N	93.7	Very high	81.4	Confident	4 Å²	4	48.4 Å²	48.4	2%	0.021	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	117.6	167.2	-175.1	35.4	0	0	0	109.2	V512 F514 I679 A727 Y728 I729	V512-N694 CarbonylContact O-C 3.6Å; V512-N694 WeakPolarHBondContact O-CA 3.39Å; F514-N694 WeakPolarHBondContact CE2-OD1 3.3Å; I679-N694 HydrophobicContact CG2-CB 4.41Å; N694-A727 PolarHBondContact N-O 3.39Å; N694-Y728 HydrophobicContact CB-CD1 3.9Å; N694-Y728 HydrophobicContact CB-CE1 4.03Å; N694-Y728 HydrophobicContact CB-CG 4.35Å; N694-Y728 VanDerWaalsContact ND2-CD1 3.29Å; N694-Y728 WeakPolarHBondContact ND2-CD1 3.37Å; N694-Y728 WeakPolarHBondContact ND2-CE1 3.36Å; N694-Y728 CarbonylContact O-C 3.26Å; N694-Y728 VanDerWaalsContact O-CA 3.3Å; N694-Y728 WeakPolarHBondContact O-CA 3.3Å; N694-I729 PolarHBondContact O-N 2.97Å
695	V	93.6	Very high	80.1	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	132.6	-175.3	-177.2	0	0	0	0	109.2	I497 I501 V512 V513 F514 L693 I729 I731	I497-V695 HydrophobicContact CG2-CG1 3.88Å; I497-V695 HydrophobicContact CG2-CG2 4.11Å; I501-V695 HydrophobicContact CD1-CG2 4.16Å; I501-V695 HydrophobicContact CG1-CG2 4.17Å; V512-V695 PolarHBondContact O-N 3.24Å; V513-V695 CarbonylContact C-O 3.41Å; V513-V695 WeakPolarHBondContact CA-O 3.49Å; V513-V695 HydrophobicContact CB-CB 4.34Å; V513-V695 HydrophobicContact CG1-CB 4Å; V513-V695 HydrophobicContact CG1-CG1 4.08Å; V513-V695 HydrophobicContact CG2-CB 4.12Å; V513-V695 HydrophobicContact CG2-CG2 4.4Å; F514-V695 PolarHBondContact N-O 3.49Å; L693-V695 HydrophobicContact CD2-CG2 3.8Å; L693-V695 HydrophobicContact CG-CG2 3.83Å; V695-I729 CarbonylContact C-O 3.51Å; V695-I729 WeakPolarHBondContact CA-O 3.34Å; V695-I729 HydrophobicContact CG1-CB 4.39Å; V695-I729 HydrophobicContact CG2-CB 4.21Å; V695-I729 HydrophobicContact CG2-CD1 4.47Å; V695-I729 HydrophobicContact CG2-CG1 4.46Å; V695-I731 HydrophobicContact CG1-CD1 3.74Å; V695-I731 HydrophobicContact CG1-CG1 4.48Å
696	I	89.8	Confident	78.8	Confident	6 Å²	6	54.3 Å²	54.3	3%	0.031	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	103.2	176	-56.9	170.2	0	0	0	107.2	F514 L702 I729 T730 I731	F514-I696 HydrophobicContact CD2-CG1 3.88Å; I696-L702 HydrophobicContact CG2-CD1 4.13Å; I696-I729 PolarHBondContact N-O 3.06Å; I696-T730 WeakPolarHBondContact O-CA 2.99Å; I696-I731 PolarHBondContact O-N 3.33Å
697	D	89.3	Confident	77.6	Confident	8 Å²	8	53.2 Å²	53.2	4%	0.043	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	111.9	-179	-154.8	-13.4	0	0	0	111.5	F514 Y520 G699 I731	F514-D697 PolarHBondContact O-N 2.9Å; Y520-D697 HydrophobicContact CE2-CB 3.9Å; Y520-D697 WeakPolarHBondContact CE2-OD2 3.37Å; Y520-D697 PolarHBondContact OH-OD2 2.59Å; D697-G699 PolarHBondContact O-N 3.25Å; D697-I731 HydrophobicContact CB-CB 4.49Å; D697-I731 HydrophobicContact CB-CD1 3.95Å; D697-I731 WeakPolarHBondContact OD1-CB 3.39Å; D697-I731 WeakPolarHBondContact OD1-CG2 3.21Å
698	E	80.8	Confident	76.5	Confident	30 Å²	30	56.6 Å²	56.6	14%	0.14	25%	0.254	C	S	.	.	S	Bend	trans	52.9	3.7	-173.7	-55.9	-66.5	176.3	0	0	115.4	K493 M516 W700 I731 T732 Q733	K493-E698 VanDerWaalsContact CE-OE1 3.3Å; K493-E698 WeakPolarHBondContact CE-OE1 3.4Å; K493-E698 IonicContact NZ-OE1 2.94Å; K493-E698 PolarHBondContact NZ-OE1 3.18Å; M516-E698 HydrophobicContact CB-CB 4.11Å; E698-W700 PolarHBondContact O-N 3.43Å; E698-I731 PolarHBondContact N-O 3.43Å; E698-T732 WeakPolarHBondContact OE2-CA 3.48Å; E698-Q733 WeakPolarHBondContact OE1-CA 3.23Å; E698-Q733 WeakPolarHBondContact OE1-CB 3.29Å; E698-Q733 WeakPolarHBondContact OE1-CG 3.35Å; E698-Q733 PolarHBondContact OE1-N 2.8Å; E698-Q733 PolarHBondContact OE1-NE2 3.07Å; E698-Q733 VanDerWaalsContact OE1-NE2 3.14Å; E698-Q733 PolarHBondContact OE2-N 3.31Å
699	G	62.7	Low	75.4	Confident	2 Å²	2	51.3 Å²	51.3	2%	0.021	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-73.7	28.1	175.6	0	0	0	0	0	113.4	D697 R701 L702	D697-G699 PolarHBondContact O-N 3.25Å; G699-R701 PolarHBondContact O-N 3.09Å; G699-L702 WeakPolarHBondContact O-CA 3.41Å; G699-L702 WeakPolarHBondContact O-CB 3.48Å; G699-L702 VanDerWaalsContact O-CD1 3.26Å; G699-L702 WeakPolarHBondContact O-CD1 3.21Å; G699-L702 WeakPolarHBondContact O-CG 3.49Å; G699-L702 PolarHBondContact O-N 3.44Å
700	W	58.6	Low	74.3	Confident	77 Å²	77	45 Å²	45	29%	0.292	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-71.8	-16.8	177.4	66.2	-95.3	0	0	0	112.6	E698 L702 L703 D704 T732	E698-W700 PolarHBondContact O-N 3.43Å; W700-L702 PolarHBondContact O-N 3.04Å; W700-L702 VanDerWaalsContact O-N 3.14Å; W700-L703 HydrophobicContact CB-CD1 4.01Å; W700-L703 HydrophobicContact CB-CG 4.33Å; W700-L703 CarbonylContact O-C 3.56Å; W700-L703 VanDerWaalsContact O-CA 3.29Å; W700-L703 WeakPolarHBondContact O-CA 3.39Å; W700-L703 WeakPolarHBondContact O-CB 3.47Å; W700-L703 PolarHBondContact O-N 3.48Å; W700-D704 PolarHBondContact O-N 3.44Å; W700-T732 HydrophobicContact CB-CG2 4.48Å; W700-T732 HydrophobicContact CG-CG2 4.47Å
701	R	58.8	Low	73.2	Confident	137 Å²	137	43.5 Å²	43.5	52%	0.517	20%	0.198	S	C	.	.	G	3₁₀ helix	trans	-56.4	-24.7	162.5	-65.5	-173	-173.3	-178.7	9.1	111.7	E662 G699 L703 D704	E662-R701 IonicContact OE1-CZ 3.13Å; E662-R701 IonicContact OE1-NH1 2.72Å; E662-R701 PolarHBondContact OE1-NH1 3.44Å; E662-R701 IonicContact OE1-NH2 2.73Å; G699-R701 PolarHBondContact O-N 3.09Å; R701-L703 VanDerWaalsContact C-N 3.28Å; R701-D704 PolarHBondContact O-N 3.44Å
702	L	58.1	Low	72.2	Confident	7 Å²	7	47.1 Å²	47.1	4%	0.037	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-68.7	-26.3	170.1	-46	166.4	0	0	0	113.1	F514 L658 L668 M672 I696 G699 W700 F705	F514-L702 HydrophobicContact CB-CD1 4.14Å; F514-L702 HydrophobicContact CD1-CD1 4.27Å; F514-L702 HydrophobicContact CG-CD1 4.26Å; L658-L702 HydrophobicContact CD1-CD1 3.48Å; L658-L702 VanDerWaalsContact CD1-CD1 3.48Å; L658-L702 HydrophobicContact CD1-CD2 3.87Å; L658-L702 HydrophobicContact CD1-CG 4.06Å; L668-L702 HydrophobicContact CD1-CD2 4.47Å; M672-L702 HydrophobicContact CE-CB 4.12Å; M672-L702 HydrophobicContact CE-CD1 3.74Å; M672-L702 HydrophobicContact CE-CD2 3.73Å; M672-L702 HydrophobicContact CE-CG 4.05Å; M672-L702 HydrophobicContact CG-CD2 3.85Å; M672-L702 HydrophobicContact SD-CD1 4.15Å; M672-L702 HydrophobicContact SD-CD2 3.5Å; M672-L702 VanDerWaalsContact SD-CD2 3.5Å; M672-L702 HydrophobicContact SD-CG 4.36Å; I696-L702 HydrophobicContact CG2-CD1 4.13Å; G699-L702 WeakPolarHBondContact O-CA 3.41Å; G699-L702 WeakPolarHBondContact O-CB 3.48Å; G699-L702 VanDerWaalsContact O-CD1 3.26Å; G699-L702 WeakPolarHBondContact O-CD1 3.21Å; G699-L702 WeakPolarHBondContact O-CG 3.49Å; G699-L702 PolarHBondContact O-N 3.44Å; W700-L702 PolarHBondContact O-N 3.04Å; W700-L702 VanDerWaalsContact O-N 3.14Å; L702-F705 VanDerWaalsContact CA-CE2 3.45Å; L702-F705 HydrophobicContact CB-CE2 4.18Å; L702-F705 HydrophobicContact CD2-CE2 3.76Å; L702-F705 HydrophobicContact CD2-CZ 4.28Å; L702-F705 VanDerWaalsContact O-CD2 3.26Å; L702-F705 WeakPolarHBondContact O-CD2 3.38Å
703	L	57.1	Low	71.2	Confident	8 Å²	8	47.8 Å²	47.8	4%	0.042	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-16.6	176.5	-53.6	-179.4	0	0	0	112.6	W700 R701 I714 T730 S744 A746 A747	W700-L703 HydrophobicContact CB-CD1 4.01Å; W700-L703 HydrophobicContact CB-CG 4.33Å; W700-L703 CarbonylContact O-C 3.56Å; W700-L703 VanDerWaalsContact O-CA 3.29Å; W700-L703 WeakPolarHBondContact O-CA 3.39Å; W700-L703 WeakPolarHBondContact O-CB 3.47Å; W700-L703 PolarHBondContact O-N 3.48Å; R701-L703 VanDerWaalsContact C-N 3.28Å; L703-I714 HydrophobicContact CD2-CB 4.39Å; L703-I714 HydrophobicContact CD2-CD1 3.26Å; L703-I714 HydrophobicContact CD2-CG1 4.34Å; L703-I714 HydrophobicContact CD2-CG2 3.77Å; L703-T730 HydrophobicContact CD1-CG2 4.34Å; L703-S744 WeakPolarHBondContact CB-OG 3.36Å; L703-S744 WeakPolarHBondContact O-CB 3.37Å; L703-S744 PolarHBondContact O-OG 3.3Å; L703-A746 HydrophobicContact CB-CB 3.94Å; L703-A746 HydrophobicContact CD2-CB 3.96Å; L703-A746 HydrophobicContact CG-CB 4.46Å; L703-A747 HydrophobicContact CD1-CB 3.96Å
704	D	58.3	Low	70.1	Confident	97 Å²	97	48 Å²	48	52%	0.519	22%	0.22	S	C	.	.	S	Bend	trans	-99.2	5	-176.8	-162.9	36.3	0	0	0	113.4	W700 R701 K706	W700-D704 PolarHBondContact O-N 3.44Å; R701-D704 PolarHBondContact O-N 3.44Å; D704-K706 PolarHBondContact O-N 3.33Å
705	F	59.8	Low	69.4	Low	52 Å²	52	51.5 Å²	51.5	23%	0.228	24%	0.236	C	C	.	.			trans	-62.5	132	175.7	-71.2	-58.7	0	0	0	111	L668 V669 L702 N707 V710	L668-F705 HydrophobicContact CD2-CE1 4.39Å; L668-F705 HydrophobicContact CD2-CZ 3.72Å; L668-F705 HydrophobicContact CG-CZ 3.94Å; V669-F705 HydrophobicContact CG2-CD1 4.01Å; V669-F705 HydrophobicContact CG2-CE1 3.97Å; V669-F705 HydrophobicContact CG2-CG 4.45Å; V669-F705 HydrophobicContact CG2-CZ 4.34Å; L702-F705 VanDerWaalsContact CA-CE2 3.45Å; L702-F705 HydrophobicContact CB-CE2 4.18Å; L702-F705 HydrophobicContact CD2-CE2 3.76Å; L702-F705 HydrophobicContact CD2-CZ 4.28Å; L702-F705 VanDerWaalsContact O-CD2 3.26Å; L702-F705 WeakPolarHBondContact O-CD2 3.38Å; F705-N707 PolarHBondContact O-N 2.55Å; F705-V710 HydrophobicContact CD2-CG1 4.46Å
706	K	56.5	Low	68.9	Low	209 Å²	209	56 Å²	56	91%	0.909	26%	0.255	S	S	*	.	S	Bend	trans	-61.6	-6.9	175	-65.3	-175.4	179.1	-179.8	0	114.1	D704 H708	D704-K706 PolarHBondContact O-N 3.33Å; K706-H708 PolarHBondContact O-N 3.19Å
707	N	63.1	Low	68.6	Low	13 Å²	13	55.8 Å²	55.8	7%	0.07	25%	0.254	C	S	.	.			trans	-80	111.8	-179.7	-170.9	-41.6	0	0	0	110.6	P565 F705 K709 V710 G711	P565-N707 PolarHBondContact O-ND2 3.48Å; F705-N707 PolarHBondContact O-N 2.55Å; N707-K709 PolarHBondContact O-N 3.26Å; N707-K709 WeakPolarHBondContact OD1-CB 3.26Å; N707-K709 PolarHBondContact OD1-N 2.65Å; N707-V710 HydrophobicContact CB-CG2 4.37Å; N707-V710 PolarHBondContact O-N 2.89Å; N707-G711 PolarHBondContact O-N 2.9Å
708	H	66.1	Low	68.4	Low	155 Å²	155	55.5 Å²	55.5	72%	0.718	25%	0.253	S	S	*	.	H	α-helix	trans	-55.4	-35.9	-178.7	-170.5	59.1	0	0	0	113.4	K706 V710 G711 E712	K706-H708 PolarHBondContact O-N 3.19Å; H708-V710 PolarHBondContact O-N 2.94Å; H708-G711 PolarHBondContact O-N 3.03Å; H708-E712 WeakPolarHBondContact O-CB 2.93Å; H708-E712 PolarHBondContact O-N 3.3Å
709	K	67.9	Low	68.6	Low	53 Å²	53	62.1 Å²	62.1	23%	0.23	28%	0.276	C	S	.	.	H	α-helix	trans	-66.5	-35.5	-177.6	-62.1	-170.1	175	-174.1	0	112.8	D557 V561 E574 F673 N707 F713	D557-K709 IonicContact OD1-NZ 3.64Å; D557-K709 PolarHBondContact OD1-NZ 3.39Å; V561-K709 HydrophobicContact CG2-CD 3.92Å; E574-K709 IonicContact OE1-NZ 3.43Å; E574-K709 PolarHBondContact OE1-NZ 2.73Å; F673-K709 HydrophobicContact CE2-CB 3.98Å; N707-K709 PolarHBondContact O-N 3.26Å; N707-K709 WeakPolarHBondContact OD1-CB 3.26Å; N707-K709 PolarHBondContact OD1-N 2.65Å; K709-F713 PolarHBondContact O-N 3.1Å
710	V	66.9	Low	69.7	Low	1 Å²	1	64.2 Å²	64.2	1%	0.006	29%	0.289	C	S	.	.	H	α-helix	trans	-71.1	-45.2	178.6	175.1	0	0	0	0	110.8	F673 I676 F705 N707 H708 F713 I714	F673-V710 HydrophobicContact CD2-CG2 4.34Å; I676-V710 HydrophobicContact CD1-CB 4.46Å; I676-V710 HydrophobicContact CD1-CG1 3.96Å; I676-V710 HydrophobicContact CD1-CG2 4.3Å; F705-V710 HydrophobicContact CD2-CG1 4.46Å; N707-V710 HydrophobicContact CB-CG2 4.37Å; N707-V710 PolarHBondContact O-N 2.89Å; H708-V710 PolarHBondContact O-N 2.94Å; V710-F713 PolarHBondContact O-N 3.43Å; V710-I714 HydrophobicContact CG1-CD1 4.39Å; V710-I714 WeakPolarHBondContact O-CG1 3.26Å; V710-I714 PolarHBondContact O-N 3.11Å
711	G	70.3	Confident	71.1	Confident	17 Å²	17	60.5 Å²	60.5	18%	0.175	28%	0.275	C	S	.	.	H	α-helix	trans	-61.3	-44.4	177.4	0	0	0	0	0	112.6	N707 H708 F713 I714 E715	N707-G711 PolarHBondContact O-N 2.9Å; H708-G711 PolarHBondContact O-N 3.03Å; G711-F713 PolarHBondContact O-N 3.19Å; G711-I714 PolarHBondContact O-N 2.75Å; G711-E715 PolarHBondContact O-N 3.34Å
712	E	74.2	Confident	72.5	Confident	110 Å²	110	58.7 Å²	58.7	51%	0.514	27%	0.268	S	S	.	.	H	α-helix	trans	-61.3	-42	178.1	-170.3	-173.8	176.2	0	0	112.3	H708 I714 E715 K716	H708-E712 WeakPolarHBondContact O-CB 2.93Å; H708-E712 PolarHBondContact O-N 3.3Å; E712-I714 VanDerWaalsContact C-N 3.34Å; E712-I714 PolarHBondContact O-N 2.9Å; E712-E715 PolarHBondContact O-N 3.36Å; E712-K716 WeakPolarHBondContact O-CB 3.36Å; E712-K716 PolarHBondContact O-N 2.94Å
713	F	73.2	Confident	74	Confident	16 Å²	16	68 Å²	68	7%	0.07	30%	0.303	C	S	.	.	H	α-helix	trans	-57.9	-47.3	176.5	166.3	-94.1	0	0	0	112	I676 I679 E680 K709 V710 G711 K716 G717	I676-F713 HydrophobicContact CB-CD1 4.14Å; I676-F713 HydrophobicContact CB-CD2 4.38Å; I676-F713 HydrophobicContact CB-CE1 4.07Å; I676-F713 HydrophobicContact CB-CE2 4.23Å; I676-F713 HydrophobicContact CB-CG 4.3Å; I676-F713 HydrophobicContact CB-CZ 4.08Å; I676-F713 HydrophobicContact CD1-CD1 3.84Å; I676-F713 HydrophobicContact CD1-CE1 4.35Å; I676-F713 HydrophobicContact CD1-CG 4.28Å; I676-F713 HydrophobicContact CG1-CD1 3.56Å; I676-F713 HydrophobicContact CG1-CE1 3.58Å; I676-F713 HydrophobicContact CG1-CG 4.14Å; I676-F713 HydrophobicContact CG1-CZ 4.1Å; I676-F713 HydrophobicContact CG2-CB 4.08Å; I676-F713 HydrophobicContact CG2-CD1 3.77Å; I676-F713 HydrophobicContact CG2-CD2 3.31Å; I676-F713 HydrophobicContact CG2-CE1 3.99Å; I676-F713 HydrophobicContact CG2-CE2 3.47Å; I676-F713 VanDerWaalsContact CG2-CE2 3.47Å; I676-F713 HydrophobicContact CG2-CG 3.42Å; I676-F713 VanDerWaalsContact CG2-CG 3.42Å; I676-F713 HydrophobicContact CG2-CZ 3.83Å; I676-F713 WeakPolarHBondContact O-CE2 3.36Å; I676-F713 WeakPolarHBondContact O-CZ 2.95Å; I679-F713 HydrophobicContact CB-CZ 4.47Å; I679-F713 HydrophobicContact CG2-CZ 4.36Å; E680-F713 HydrophobicContact CB-CE2 3.88Å; E680-F713 HydrophobicContact CG-CD2 4.11Å; E680-F713 HydrophobicContact CG-CE2 3.46Å; E680-F713 VanDerWaalsContact CG-CE2 3.46Å; E680-F713 HydrophobicContact CG-CZ 4.48Å; K709-F713 PolarHBondContact O-N 3.1Å; V710-F713 PolarHBondContact O-N 3.43Å; G711-F713 PolarHBondContact O-N 3.19Å; F713-K716 PolarHBondContact O-N 2.96Å; F713-G717 PolarHBondContact O-N 3.48Å
714	I	73.1	Confident	75.6	Confident	7 Å²	7	68.8 Å²	68.8	4%	0.036	31%	0.306	C	S	.	.	H	α-helix	trans	-65.4	-48.1	-177.2	-62.3	178.7	0	0	0	108.9	L703 V710 G711 E712 K716 G717 Y718	L703-I714 HydrophobicContact CD2-CB 4.39Å; L703-I714 HydrophobicContact CD2-CD1 3.26Å; L703-I714 HydrophobicContact CD2-CG1 4.34Å; L703-I714 HydrophobicContact CD2-CG2 3.77Å; V710-I714 HydrophobicContact CG1-CD1 4.39Å; V710-I714 WeakPolarHBondContact O-CG1 3.26Å; V710-I714 PolarHBondContact O-N 3.11Å; G711-I714 PolarHBondContact O-N 2.75Å; E712-I714 VanDerWaalsContact C-N 3.34Å; E712-I714 PolarHBondContact O-N 2.9Å; I714-K716 PolarHBondContact O-N 3.31Å; I714-G717 PolarHBondContact O-N 3.4Å; I714-G717 VanDerWaalsContact O-N 3.14Å; I714-Y718 HydrophobicContact CG2-CD2 3.81Å; I714-Y718 HydrophobicContact CG2-CE2 3.77Å; I714-Y718 VanDerWaalsContact O-CD2 3.3Å; I714-Y718 WeakPolarHBondContact O-CD2 3.46Å; I714-Y718 PolarHBondContact O-N 3.29Å
715	E	78.6	Confident	77.3	Confident	76 Å²	76	65.1 Å²	65.1	36%	0.355	29%	0.288	S	S	.	.	H	α-helix	trans	-57.1	-47.3	177.1	-171.2	-174.7	152.1	0	0	112.4	G711 E712 G717 Y718 R719 A749	G711-E715 PolarHBondContact O-N 3.34Å; E712-E715 PolarHBondContact O-N 3.36Å; E715-G717 PolarHBondContact O-N 2.81Å; E715-Y718 PolarHBondContact O-N 2.81Å; E715-R719 WeakPolarHBondContact O-CG 3.45Å; E715-R719 PolarHBondContact O-N 3.39Å; E715-R719 VanDerWaalsContact O-N 3.12Å; E715-R719 IonicContact OE1-NH1 3.67Å; E715-A749 HydrophobicContact CB-CB 4.48Å; E715-A749 HydrophobicContact CG-CB 4.08Å
716	K	83.2	Confident	79	Confident	95 Å²	95	62.7 Å²	62.7	41%	0.413	28%	0.277	S	S	.	.	H	α-helix	trans	-58.9	-46.9	175.5	179.9	-172.9	171.5	-156.9	0	111	E680 E712 F713 I714 Y718 R719 T720	E680-K716 IonicContact OE1-NZ 2.73Å; E680-K716 PolarHBondContact OE1-NZ 3.04Å; E712-K716 WeakPolarHBondContact O-CB 3.36Å; E712-K716 PolarHBondContact O-N 2.94Å; F713-K716 PolarHBondContact O-N 2.96Å; I714-K716 PolarHBondContact O-N 3.31Å; K716-Y718 PolarHBondContact O-N 2.91Å; K716-R719 PolarHBondContact O-N 3.24Å; K716-R719 VanDerWaalsContact O-N 3.09Å; K716-T720 PolarHBondContact O-N 3.43Å; K716-T720 PolarHBondContact O-OG1 3.34Å
717	G	83.4	Confident	80.9	Confident	1 Å²	1	52.7 Å²	52.7	1%	0.01	23%	0.233	C	C	.	.	H	α-helix	trans	-52.6	-53.8	176.8	0	0	0	0	0	112.5	F713 I714 E715 R719 T720 A721	F713-G717 PolarHBondContact O-N 3.48Å; I714-G717 PolarHBondContact O-N 3.4Å; I714-G717 VanDerWaalsContact O-N 3.14Å; E715-G717 PolarHBondContact O-N 2.81Å; G717-R719 PolarHBondContact O-N 3.28Å; G717-T720 PolarHBondContact O-N 3.46Å; G717-A721 VanDerWaalsContact O-CB 3.25Å; G717-A721 WeakPolarHBondContact O-CB 3.37Å; G717-A721 PolarHBondContact O-N 3.32Å
718	Y	85.4	Confident	82.3	Confident	3 Å²	3	52.1 Å²	52.1	1%	0.012	23%	0.23	C	C	.	.	H	α-helix	trans	-58	-36.4	177	-88.1	-96.5	0	0	0	112.5	N482 I714 E715 K716 Y728 T730 A750 N753	N482-Y718 HydrophobicContact CB-CD1 3.88Å; N482-Y718 HydrophobicContact CB-CE1 3.92Å; N482-Y718 PolarHBondContact ND2-O 2.71Å; I714-Y718 HydrophobicContact CG2-CD2 3.81Å; I714-Y718 HydrophobicContact CG2-CE2 3.77Å; I714-Y718 VanDerWaalsContact O-CD2 3.3Å; I714-Y718 WeakPolarHBondContact O-CD2 3.46Å; I714-Y718 PolarHBondContact O-N 3.29Å; E715-Y718 PolarHBondContact O-N 2.81Å; K716-Y718 PolarHBondContact O-N 2.91Å; Y718-Y728 HydrophobicContact CD2-CD1 4.27Å; Y718-Y728 HydrophobicContact CD2-CG 4.1Å; Y718-Y728 AromaticContact CE2-CD1 3.84Å; Y718-Y728 HydrophobicContact CE2-CD1 3.84Å; Y718-Y728 AromaticContact CE2-CG 3.83Å; Y718-Y728 HydrophobicContact CE2-CG 3.83Å; Y718-Y728 WeakPolarHBondContact OH-CB 3.11Å; Y718-T730 PolarHBondContact OH-OG1 3.45Å; Y718-A750 HydrophobicContact CD1-CB 4.37Å; Y718-A750 HydrophobicContact CE1-CB 3.8Å; Y718-A750 HydrophobicContact CE2-CB 4.04Å; Y718-N753 HydrophobicContact CD1-CB 4.22Å
719	R	84.7	Confident	83.6	Confident	168 Å²	168	44.8 Å²	44.8	63%	0.634	20%	0.196	S	C	*	.	H	α-helix	trans	-78	-31.7	179.9	-69.3	175.1	66.5	-172.8	-1.5	114	E715 K716 G717	E715-R719 WeakPolarHBondContact O-CG 3.45Å; E715-R719 PolarHBondContact O-N 3.39Å; E715-R719 VanDerWaalsContact O-N 3.12Å; E715-R719 IonicContact OE1-NH1 3.67Å; K716-R719 PolarHBondContact O-N 3.24Å; K716-R719 VanDerWaalsContact O-N 3.09Å; G717-R719 PolarHBondContact O-N 3.28Å
720	T	86.8	Confident	84.8	Confident	46 Å²	46	42.2 Å²	42.2	28%	0.282	19%	0.185	S	C	.	.	H	α-helix	trans	-108.5	-20	-169.3	56.8	0	0	0	0	115.8	Y684 K716 G717 R722 R723	Y684-T720 PolarHBondContact OH-OG1 2.99Å; K716-T720 PolarHBondContact O-N 3.43Å; K716-T720 PolarHBondContact O-OG1 3.34Å; G717-T720 PolarHBondContact O-N 3.46Å; T720-R722 VanDerWaalsContact C-N 3.27Å; T720-R722 PolarHBondContact O-N 3.11Å; T720-R722 VanDerWaalsContact O-N 3.14Å; T720-R723 PolarHBondContact O-N 2.99Å
721	A	88.1	Confident	85.9	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-56.4	-34.8	-172.5	0	0	0	0	0	114.6	M683 G717 R723 H724 G726 Y728	M683-A721 HydrophobicContact SD-CB 4.37Å; G717-A721 VanDerWaalsContact O-CB 3.25Å; G717-A721 WeakPolarHBondContact O-CB 3.37Å; G717-A721 PolarHBondContact O-N 3.32Å; A721-R723 PolarHBondContact O-N 2.96Å; A721-R723 VanDerWaalsContact O-N 3.12Å; A721-H724 PolarHBondContact O-N 3.32Å; A721-G726 CarbonylContact C-O 3.48Å; A721-G726 PolarHBondContact O-N 3.33Å; A721-Y728 HydrophobicContact CB-CD2 3.93Å; A721-Y728 HydrophobicContact CB-CE2 3.82Å
722	R	87.8	Confident	86.8	Confident	98 Å²	98	41.4 Å²	41.4	37%	0.37	18%	0.177	S	C	.	.	G	3₁₀ helix	trans	-51	-40.9	-179	-172.5	-164.8	-169.7	178.8	-2.3	113.2	N478 T479 N480 Y481 T720 H724 T725	N478-R722 PolarHBondContact O-NH2 2.89Å; T479-R722 VanDerWaalsContact C-NH1 3.27Å; T479-R722 WeakPolarHBondContact O-CD 3.44Å; T479-R722 PolarHBondContact O-NE 3.36Å; T479-R722 PolarHBondContact O-NH1 3.15Å; N480-R722 HydrophobicContact CB-CB 4.32Å; Y481-R722 HydrophobicContact CD2-CB 4.44Å; Y481-R722 HydrophobicContact CD2-CG 4.03Å; Y481-R722 HydrophobicContact CE1-CG 4.47Å; Y481-R722 HydrophobicContact CE2-CB 4.43Å; Y481-R722 HydrophobicContact CE2-CG 3.68Å; Y481-R722 WeakPolarHBondContact CE2-O 3.48Å; T720-R722 VanDerWaalsContact C-N 3.27Å; T720-R722 PolarHBondContact O-N 3.11Å; T720-R722 VanDerWaalsContact O-N 3.14Å; R722-H724 PolarHBondContact O-N 3.23Å; R722-H724 VanDerWaalsContact O-N 3.11Å; R722-T725 PolarHBondContact O-N 2.98Å
723	R	89	Confident	87.5	Confident	203 Å²	203	40 Å²	40	77%	0.766	17%	0.17	S	C	*	.	G	3₁₀ helix	trans	-66.1	-13.4	-177.3	-67	-179.2	-179.5	176.9	0.1	113.2	T720 A721	T720-R723 PolarHBondContact O-N 2.99Å; A721-R723 PolarHBondContact O-N 2.96Å; A721-R723 VanDerWaalsContact O-N 3.12Å
724	H	92	Very high	88	Confident	24 Å²	24	41.4 Å²	41.4	11%	0.111	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-116.6	17.5	-177.4	-69	-101.7	0	0	0	113	Y684 R688 K692 A721 R722 G726	Y684-H724 HydrophobicContact CD1-CB 4.42Å; Y684-H724 AromaticContact CD1-CD2 3.51Å; Y684-H724 AromaticContact CD1-CE1 3.86Å; Y684-H724 AromaticContact CD1-CG 3.72Å; Y684-H724 AromaticContact CD1-ND1 3.93Å; Y684-H724 AromaticContact CD1-NE2 3.65Å; Y684-H724 AromaticContact CE1-CD2 3.9Å; R688-H724 CarbonylContact O-C 3.58Å; R688-H724 VanDerWaalsContact O-C 3.31Å; K692-H724 PolarHBondContact NZ-O 3.48Å; A721-H724 PolarHBondContact O-N 3.32Å; R722-H724 PolarHBondContact O-N 3.23Å; R722-H724 VanDerWaalsContact O-N 3.11Å; H724-G726 PolarHBondContact O-N 2.98Å
725	T	94.1	Very high	88.5	Confident	21 Å²	21	41.2 Å²	41.2	13%	0.129	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.5	39.7	-173.3	-45	0	0	0	0	110.9	F472 R688 L690 K691 K692 R722	F472-T725 HydrophobicContact CD1-CG2 3.72Å; F472-T725 HydrophobicContact CE1-CG2 4.12Å; F472-T725 WeakPolarHBondContact CE1-O 3.13Å; F472-T725 HydrophobicContact CG-CG2 4.49Å; R688-T725 VanDerWaalsContact O-CB 3.28Å; R688-T725 WeakPolarHBondContact O-CB 3.11Å; R688-T725 PolarHBondContact O-OG1 2.81Å; L690-T725 WeakPolarHBondContact O-CB 3.33Å; K691-T725 HydrophobicContact CG-CG2 4.11Å; K692-T725 PolarHBondContact N-O 3.21Å; R722-T725 PolarHBondContact O-N 2.98Å
726	G	95.1	Very high	88.6	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	149.4	177.7	0	0	0	0	0	112.4	M683 K692 A721 H724	M683-G726 VanDerWaalsContact SD-CA 3.56Å; K692-G726 CarbonylContact O-C 3.55Å; K692-G726 WeakPolarHBondContact O-CA 3.43Å; A721-G726 CarbonylContact C-O 3.48Å; A721-G726 PolarHBondContact O-N 3.33Å; H724-G726 PolarHBondContact O-N 2.98Å
727	A	95.3	Very high	88.4	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	143.3	176.1	0	0	0	0	0	110.6	I471 F472 Y481 K692 L693 N694	I471-A727 HydrophobicContact CD1-CB 4.03Å; F472-A727 HydrophobicContact CE1-CB 4.08Å; F472-A727 HydrophobicContact CZ-CB 3.92Å; Y481-A727 WeakPolarHBondContact O-CB 3.34Å; K692-A727 PolarHBondContact O-N 2.97Å; L693-A727 WeakPolarHBondContact CA-O 3.28Å; L693-A727 HydrophobicContact CD1-CB 3.73Å; N694-A727 PolarHBondContact N-O 3.39Å
728	Y	93	Very high	88.1	Confident	1 Å²	1	36.1 Å²	36.1	0%	0.004	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	138.5	166.7	-73.2	-108.7	0	0	0	109.9	N482 M483 M683 N694 Y718 A721	N482-Y728 CarbonylContact C-O 3.31Å; N482-Y728 VanDerWaalsContact CA-O 3.23Å; N482-Y728 WeakPolarHBondContact CA-O 3.23Å; N482-Y728 WeakPolarHBondContact CB-O 3.5Å; N482-Y728 PolarHBondContact OD1-N 3.14Å; M483-Y728 PolarHBondContact N-O 3.11Å; M683-Y728 HydrophobicContact CE-CD2 4.46Å; M683-Y728 HydrophobicContact CE-CE2 3.83Å; N694-Y728 HydrophobicContact CB-CD1 3.9Å; N694-Y728 HydrophobicContact CB-CE1 4.03Å; N694-Y728 HydrophobicContact CB-CG 4.35Å; N694-Y728 VanDerWaalsContact ND2-CD1 3.29Å; N694-Y728 WeakPolarHBondContact ND2-CD1 3.37Å; N694-Y728 WeakPolarHBondContact ND2-CE1 3.36Å; N694-Y728 CarbonylContact O-C 3.26Å; N694-Y728 VanDerWaalsContact O-CA 3.3Å; N694-Y728 WeakPolarHBondContact O-CA 3.3Å; Y718-Y728 HydrophobicContact CD2-CD1 4.27Å; Y718-Y728 HydrophobicContact CD2-CG 4.1Å; Y718-Y728 AromaticContact CE2-CD1 3.84Å; Y718-Y728 HydrophobicContact CE2-CD1 3.84Å; Y718-Y728 AromaticContact CE2-CG 3.83Å; Y718-Y728 HydrophobicContact CE2-CG 3.83Å; Y718-Y728 WeakPolarHBondContact OH-CB 3.11Å; A721-Y728 HydrophobicContact CB-CD2 3.93Å; A721-Y728 HydrophobicContact CB-CE2 3.82Å
729	I	94	Very high	87.3	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	122.3	173.2	-53.4	-165.8	0	0	0	108.6	I471 M483 V485 I497 L693 N694 V695 I696 I731	I471-I729 HydrophobicContact CD1-CD1 4.45Å; M483-I729 HydrophobicContact CB-CB 4.49Å; M483-I729 HydrophobicContact CB-CD1 4.33Å; M483-I729 HydrophobicContact CB-CG1 4.01Å; M483-I729 HydrophobicContact CB-CG2 4.25Å; M483-I729 CarbonylContact O-C 3.59Å; M483-I729 VanDerWaalsContact O-CA 3.23Å; M483-I729 WeakPolarHBondContact O-CA 3.38Å; M483-I729 HydrophobicContact SD-CD1 4.32Å; M483-I729 HydrophobicContact SD-CG2 4.44Å; V485-I729 HydrophobicContact CG2-CG2 4.01Å; I497-I729 HydrophobicContact CD1-CD1 3.87Å; I497-I729 HydrophobicContact CD1-CG2 3.84Å; I497-I729 HydrophobicContact CG1-CG2 4.44Å; L693-I729 HydrophobicContact CD1-CD1 3.75Å; L693-I729 HydrophobicContact CD1-CG1 3.72Å; L693-I729 HydrophobicContact CD2-CD1 4.01Å; L693-I729 HydrophobicContact CG-CD1 4.24Å; L693-I729 HydrophobicContact CG-CG1 4.35Å; N694-I729 PolarHBondContact O-N 2.97Å; V695-I729 CarbonylContact C-O 3.51Å; V695-I729 WeakPolarHBondContact CA-O 3.34Å; V695-I729 HydrophobicContact CG1-CB 4.39Å; V695-I729 HydrophobicContact CG2-CB 4.21Å; V695-I729 HydrophobicContact CG2-CD1 4.47Å; V695-I729 HydrophobicContact CG2-CG1 4.46Å; I696-I729 PolarHBondContact N-O 3.06Å; I729-I731 HydrophobicContact CG2-CG1 3.98Å
730	T	91.5	Very high	86.7	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	137	167.7	-56.3	0	0	0	0	109.7	M483 A484 V485 I696 L703 Y718 T732 F738	M483-T730 PolarHBondContact O-N 2.84Å; A484-T730 CarbonylContact C-O 3.58Å; A484-T730 WeakPolarHBondContact CA-O 3.2Å; V485-T730 PolarHBondContact N-O 3.29Å; I696-T730 WeakPolarHBondContact O-CA 2.99Å; L703-T730 HydrophobicContact CD1-CG2 4.34Å; Y718-T730 PolarHBondContact OH-OG1 3.45Å; T730-T732 HydrophobicContact CG2-CG2 4.27Å; T730-F738 HydrophobicContact CG2-CE1 3.58Å; T730-F738 HydrophobicContact CG2-CZ 3.62Å
731	I	92	Very high	85.7	Confident	0 Å²	0	36 Å²	36	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	128.9	-178.9	-47.2	168.4	0	0	0	108.4	V485 K493 I497 Y520 V695 I696 D697 E698 I729	V485-I731 HydrophobicContact CB-CB 4.36Å; V485-I731 HydrophobicContact CB-CG1 4.12Å; V485-I731 HydrophobicContact CB-CG2 4.15Å; V485-I731 HydrophobicContact CG1-CG2 4.21Å; V485-I731 HydrophobicContact CG2-CG1 4.41Å; V485-I731 CarbonylContact O-C 3.53Å; V485-I731 VanDerWaalsContact O-CA 3.27Å; V485-I731 WeakPolarHBondContact O-CA 3.39Å; K493-I731 HydrophobicContact CB-CG2 3.83Å; K493-I731 HydrophobicContact CD-CG2 3.4Å; K493-I731 VanDerWaalsContact CD-CG2 3.4Å; K493-I731 HydrophobicContact CG-CG2 4.23Å; I497-I731 HydrophobicContact CB-CD1 4.25Å; I497-I731 HydrophobicContact CG1-CD1 3.69Å; I497-I731 HydrophobicContact CG1-CG1 4.34Å; I497-I731 HydrophobicContact CG2-CD1 4.28Å; Y520-I731 WeakPolarHBondContact OH-CD1 3.28Å; V695-I731 HydrophobicContact CG1-CD1 3.74Å; V695-I731 HydrophobicContact CG1-CG1 4.48Å; I696-I731 PolarHBondContact O-N 3.33Å; D697-I731 HydrophobicContact CB-CB 4.49Å; D697-I731 HydrophobicContact CB-CD1 3.95Å; D697-I731 WeakPolarHBondContact OD1-CB 3.39Å; D697-I731 WeakPolarHBondContact OD1-CG2 3.21Å; E698-I731 PolarHBondContact N-O 3.43Å; I729-I731 HydrophobicContact CG2-CG1 3.98Å
732	T	89.1	Confident	84.7	Confident	1 Å²	1	45.5 Å²	45.5	1%	0.006	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	157.8	175.8	73.1	0	0	0	0	112.6	V485 C486 G487 E698 W700 T730 N734 D737 F738	V485-T732 PolarHBondContact O-N 2.96Å; C486-T732 WeakPolarHBondContact CA-O 3.48Å; G487-T732 PolarHBondContact N-O 2.9Å; E698-T732 WeakPolarHBondContact OE2-CA 3.48Å; W700-T732 HydrophobicContact CB-CG2 4.48Å; W700-T732 HydrophobicContact CG-CG2 4.47Å; T730-T732 HydrophobicContact CG2-CG2 4.27Å; T732-N734 PolarHBondContact OG1-O 3.41Å; T732-D737 HydrophobicContact CG2-CB 4.15Å; T732-F738 HydrophobicContact CG2-CD2 4.05Å; T732-F738 HydrophobicContact CG2-CE1 4.15Å; T732-F738 HydrophobicContact CG2-CE2 3.51Å; T732-F738 HydrophobicContact CG2-CZ 3.57Å; T732-F738 VanDerWaalsContact OG1-CD2 3.32Å; T732-F738 WeakPolarHBondContact OG1-CD2 3.3Å; T732-F738 WeakPolarHBondContact OG1-CE2 3.17Å
733	Q	88.5	Confident	83.8	Confident	79 Å²	79	41.2 Å²	41.2	37%	0.369	20%	0.197	S	C	.	.	S	Bend	trans	-76	-42.7	175.7	-108.6	160.7	72	0	0	113.5	G487 E698	G487-Q733 CarbonylContact C-O 3.58Å; G487-Q733 VanDerWaalsContact C-O 3.29Å; G487-Q733 WeakPolarHBondContact O-CA 3.48Å; E698-Q733 WeakPolarHBondContact OE1-CA 3.23Å; E698-Q733 WeakPolarHBondContact OE1-CB 3.29Å; E698-Q733 WeakPolarHBondContact OE1-CG 3.35Å; E698-Q733 PolarHBondContact OE1-N 2.8Å; E698-Q733 PolarHBondContact OE1-NE2 3.07Å; E698-Q733 VanDerWaalsContact OE1-NE2 3.14Å; E698-Q733 PolarHBondContact OE2-N 3.31Å
734	N	83.9	Confident	82.9	Confident	46 Å²	46	32.3 Å²	32.3	25%	0.246	17%	0.166	C	C	.	.			trans	-113.9	144.5	-178.6	-50.9	-69.1	0	0	0	111.6	T732 V736 D737	T732-N734 PolarHBondContact OG1-O 3.41Å; N734-V736 VanDerWaalsContact C-N 3.3Å; N734-V736 HydrophobicContact CB-CG2 3.66Å; N734-V736 PolarHBondContact O-N 2.89Å; N734-D737 WeakPolarHBondContact CB-OD2 3.46Å; N734-D737 PolarHBondContact N-OD2 2.86Å; N734-D737 VanDerWaalsContact N-OD2 3.13Å; N734-D737 VanDerWaalsContact O-CB 3.28Å; N734-D737 WeakPolarHBondContact O-CB 2.96Å; N734-D737 PolarHBondContact O-N 3.47Å
735	I	83.5	Confident	82	Confident	4 Å²	4	34.9 Å²	34.9	2%	0.021	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-69.2	-30.5	179.4	-171.5	165.5	0	0	0	112.6	C486 D737 F738 D739 I759 Y770 F778	C486-I735 WeakPolarHBondContact SG-CA 3.36Å; C486-I735 PolarHBondContact SG-N 3.24Å; I735-D737 PolarHBondContact O-N 3.27Å; I735-D737 VanDerWaalsContact O-N 3.13Å; I735-F738 PolarHBondContact O-N 3.34Å; I735-F738 VanDerWaalsContact O-N 3.13Å; I735-D739 PolarHBondContact O-N 3.17Å; I735-I759 HydrophobicContact CD1-CD1 4.06Å; I735-Y770 HydrophobicContact CD1-CD1 4.48Å; I735-Y770 HydrophobicContact CD1-CE1 3.87Å; I735-Y770 HydrophobicContact CG1-CE1 4.26Å; I735-Y770 HydrophobicContact CG1-CE2 4.27Å; I735-Y770 HydrophobicContact CG2-CD1 3.78Å; I735-Y770 HydrophobicContact CG2-CD2 3.61Å; I735-Y770 HydrophobicContact CG2-CE1 4.05Å; I735-Y770 HydrophobicContact CG2-CE2 3.85Å; I735-Y770 HydrophobicContact CG2-CG 3.53Å; I735-F778 HydrophobicContact CD1-CE2 3.5Å; I735-F778 VanDerWaalsContact CD1-CE2 3.5Å; I735-F778 HydrophobicContact CD1-CZ 3.37Å
736	V	81.2	Confident	80.9	Confident	37 Å²	37	33.9 Å²	33.9	22%	0.224	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-58.7	-23.1	173.9	-70.7	0	0	0	0	112.9	N734 F738 S740 Y770	N734-V736 VanDerWaalsContact C-N 3.3Å; N734-V736 HydrophobicContact CB-CG2 3.66Å; N734-V736 PolarHBondContact O-N 2.89Å; V736-F738 PolarHBondContact O-N 3.42Å; V736-S740 VanDerWaalsContact O-CB 3.25Å; V736-S740 WeakPolarHBondContact O-CB 3.39Å; V736-S740 PolarHBondContact O-OG 2.87Å; V736-Y770 HydrophobicContact CG1-CD2 3.48Å; V736-Y770 VanDerWaalsContact CG1-CD2 3.48Å; V736-Y770 HydrophobicContact CG1-CE2 4.14Å; V736-Y770 HydrophobicContact CG1-CG 4.46Å
737	D	77.7	Confident	80	Confident	27 Å²	27	34 Å²	34	14%	0.144	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-70.6	-26.8	-178.1	-55.4	-26.2	0	0	0	110.9	T732 N734 I735 A743	T732-D737 HydrophobicContact CG2-CB 4.15Å; N734-D737 WeakPolarHBondContact CB-OD2 3.46Å; N734-D737 PolarHBondContact N-OD2 2.86Å; N734-D737 VanDerWaalsContact N-OD2 3.13Å; N734-D737 VanDerWaalsContact O-CB 3.28Å; N734-D737 WeakPolarHBondContact O-CB 2.96Å; N734-D737 PolarHBondContact O-N 3.47Å; I735-D737 PolarHBondContact O-N 3.27Å; I735-D737 VanDerWaalsContact O-N 3.13Å; D737-A743 WeakPolarHBondContact O-CB 3.2Å
738	F	76.9	Confident	79.2	Confident	1 Å²	1	40.4 Å²	40.4	0%	0.004	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-41.2	172.7	-77.6	-64.1	0	0	0	113	A484 V485 C486 T730 T732 I735 V736 W751	A484-F738 HydrophobicContact CB-CE1 4.09Å; A484-F738 HydrophobicContact CB-CE2 4.36Å; A484-F738 HydrophobicContact CB-CZ 3.95Å; V485-F738 WeakPolarHBondContact O-CE2 3.4Å; C486-F738 HydrophobicContact CB-CD2 4.47Å; C486-F738 HydrophobicContact CB-CE2 4.36Å; T730-F738 HydrophobicContact CG2-CE1 3.58Å; T730-F738 HydrophobicContact CG2-CZ 3.62Å; T732-F738 HydrophobicContact CG2-CD2 4.05Å; T732-F738 HydrophobicContact CG2-CE1 4.15Å; T732-F738 HydrophobicContact CG2-CE2 3.51Å; T732-F738 HydrophobicContact CG2-CZ 3.57Å; T732-F738 VanDerWaalsContact OG1-CD2 3.32Å; T732-F738 WeakPolarHBondContact OG1-CD2 3.3Å; T732-F738 WeakPolarHBondContact OG1-CE2 3.17Å; I735-F738 PolarHBondContact O-N 3.34Å; I735-F738 VanDerWaalsContact O-N 3.13Å; V736-F738 PolarHBondContact O-N 3.42Å; F738-W751 HydrophobicContact CB-CB 4.03Å; F738-W751 HydrophobicContact CB-CD2 3.91Å; F738-W751 HydrophobicContact CB-CE3 3.66Å; F738-W751 HydrophobicContact CB-CG 4.09Å; F738-W751 HydrophobicContact CB-CZ3 4.41Å; F738-W751 HydrophobicContact CD1-CB 4Å; F738-W751 HydrophobicContact CD1-CE3 4.09Å; F738-W751 AromaticContact CD2-CE3 3.9Å; F738-W751 HydrophobicContact CD2-CE3 3.9Å; F738-W751 HydrophobicContact CD2-CZ3 4.16Å; F738-W751 HydrophobicContact CG-CB 4.34Å; F738-W751 HydrophobicContact CG-CD2 4.31Å; F738-W751 AromaticContact CG-CE3 3.63Å; F738-W751 HydrophobicContact CG-CE3 3.63Å; F738-W751 HydrophobicContact CG-CZ3 4.32Å
739	D	70	Confident	78.5	Confident	39 Å²	39	41 Å²	41	21%	0.209	21%	0.211	C	C	.	.	S	Bend	trans	-129.3	70.8	-160.7	-157	1.3	0	0	0	110.4	I735 W751 Y770 Q777	I735-D739 PolarHBondContact O-N 3.17Å; D739-W751 PolarHBondContact OD2-NE1 2.92Å; D739-Y770 PolarHBondContact OD2-OH 3.33Å; D739-Q777 PolarHBondContact OD2-NE2 3.45Å
740	S	70.7	Confident	78	Confident	22 Å²	22	41 Å²	41	15%	0.154	21%	0.211	C	C	.	.	S	Bend	trans	-151.2	161.3	171.3	70.3	0	0	0	0	112.5	V736 K742 A743 Y774	V736-S740 VanDerWaalsContact O-CB 3.25Å; V736-S740 WeakPolarHBondContact O-CB 3.39Å; V736-S740 PolarHBondContact O-OG 2.87Å; S740-K742 PolarHBondContact O-N 2.86Å; S740-K742 VanDerWaalsContact O-N 3.13Å; S740-K742 PolarHBondContact OG-N 3.32Å; S740-A743 VanDerWaalsContact O-CB 3.26Å; S740-A743 WeakPolarHBondContact O-CB 3.39Å; S740-A743 PolarHBondContact O-N 2.93Å; S740-A743 PolarHBondContact OG-N 3.34Å; S740-Y774 WeakPolarHBondContact CA-OH 3.15Å
741	D	66.1	Low	77.7	Confident	153 Å²	153	41.8 Å²	41.8	82%	0.818	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-20.6	173.3	-66.7	-29.5	0	0	0	113.3
742	K	67.2	Low	77.4	Confident	199 Å²	199	44.5 Å²	44.5	87%	0.865	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.6	-10.7	176.3	-64.3	-174.5	179.4	-175.7	0	113	S740	S740-K742 PolarHBondContact O-N 2.86Å; S740-K742 VanDerWaalsContact O-N 3.13Å; S740-K742 PolarHBondContact OG-N 3.32Å
743	A	70	Confident	77.4	Confident	9 Å²	9	46.7 Å²	46.7	7%	0.074	25%	0.253	C	S	.	.	S	Bend	trans	-68.9	137.6	178.5	0	0	0	0	0	110.2	D737 S740 A747 R748	D737-A743 WeakPolarHBondContact O-CB 3.2Å; S740-A743 VanDerWaalsContact O-CB 3.26Å; S740-A743 WeakPolarHBondContact O-CB 3.39Å; S740-A743 PolarHBondContact O-N 2.93Å; S740-A743 PolarHBondContact OG-N 3.34Å; A743-A747 HydrophobicContact CB-CB 4.35Å; A743-R748 HydrophobicContact CB-CG 3.97Å; A743-R748 PolarHBondContact O-NE 3.49Å
744	S	69.1	Low	77.6	Confident	16 Å²	16	43.3 Å²	43.3	11%	0.112	24%	0.239	C	C	.	.			trans	-58.9	156.6	178.7	80.9	0	0	0	0	111.1	L703 A746 A747 R748	L703-S744 WeakPolarHBondContact CB-OG 3.36Å; L703-S744 WeakPolarHBondContact O-CB 3.37Å; L703-S744 PolarHBondContact O-OG 3.3Å; S744-A746 PolarHBondContact O-N 3.43Å; S744-A747 PolarHBondContact O-N 3.48Å; S744-A747 PolarHBondContact OG-N 3.3Å; S744-A747 VanDerWaalsContact OG-N 3.13Å; S744-R748 PolarHBondContact O-N 2.94Å
745	S	72.3	Confident	78	Confident	77 Å²	77	41.2 Å²	41.2	54%	0.538	23%	0.228	S	C	.	.	H	α-helix	trans	-55.7	-38	176.9	51.6	0	0	0	0	111.6	A749	S745-A749 VanDerWaalsContact O-CB 3.31Å; S745-A749 WeakPolarHBondContact O-CB 3.49Å; S745-A749 PolarHBondContact O-N 2.87Å
746	A	71.1	Confident	78.6	Confident	1 Å²	1	41.2 Å²	41.2	1%	0.008	23%	0.227	C	C	.	.	H	α-helix	trans	-72.3	-35.6	179.1	0	0	0	0	0	113	L703 S744 A749 A750	L703-A746 HydrophobicContact CB-CB 3.94Å; L703-A746 HydrophobicContact CD2-CB 3.96Å; L703-A746 HydrophobicContact CG-CB 4.46Å; S744-A746 PolarHBondContact O-N 3.43Å; A746-A749 PolarHBondContact O-N 3.16Å; A746-A750 WeakPolarHBondContact O-CB 3.48Å; A746-A750 PolarHBondContact O-N 3.49Å
747	A	76.3	Confident	79.2	Confident	2 Å²	2	41.6 Å²	41.6	2%	0.017	23%	0.226	C	C	.	.	H	α-helix	trans	-65.2	-43.5	173.3	0	0	0	0	0	111.9	L703 A743 S744 A749 A750 W751	L703-A747 HydrophobicContact CD1-CB 3.96Å; A743-A747 HydrophobicContact CB-CB 4.35Å; S744-A747 PolarHBondContact O-N 3.48Å; S744-A747 PolarHBondContact OG-N 3.3Å; S744-A747 VanDerWaalsContact OG-N 3.13Å; A747-A749 VanDerWaalsContact C-N 3.33Å; A747-A749 PolarHBondContact O-N 3.14Å; A747-A750 PolarHBondContact O-N 3.08Å; A747-W751 PolarHBondContact O-N 2.96Å
748	R	78.9	Confident	80.1	Confident	134 Å²	134	40.4 Å²	40.4	51%	0.506	22%	0.22	S	C	.	.	H	α-helix	trans	-63.5	-39.1	173	-72.8	-174	-76	149.4	-4	111.9	A743 S744 W751 G752	A743-R748 HydrophobicContact CB-CG 3.97Å; A743-R748 PolarHBondContact O-NE 3.49Å; S744-R748 PolarHBondContact O-N 2.94Å; R748-W751 PolarHBondContact O-N 3.34Å; R748-G752 PolarHBondContact O-N 3.27Å
749	A	78.4	Confident	81.1	Confident	14 Å²	14	40.3 Å²	40.3	12%	0.116	22%	0.219	C	C	.	.	H	α-helix	trans	-66.1	-39.7	174.8	0	0	0	0	0	112.2	E715 S745 A746 A747 G752 N753	E715-A749 HydrophobicContact CB-CB 4.48Å; E715-A749 HydrophobicContact CG-CB 4.08Å; S745-A749 VanDerWaalsContact O-CB 3.31Å; S745-A749 WeakPolarHBondContact O-CB 3.49Å; S745-A749 PolarHBondContact O-N 2.87Å; A746-A749 PolarHBondContact O-N 3.16Å; A747-A749 VanDerWaalsContact C-N 3.33Å; A747-A749 PolarHBondContact O-N 3.14Å; A749-G752 PolarHBondContact O-N 2.97Å; A749-N753 VanDerWaalsContact O-CB 3.24Å; A749-N753 WeakPolarHBondContact O-CB 3.15Å; A749-N753 PolarHBondContact O-N 3.46Å; A749-N753 PolarHBondContact O-ND2 3.18Å
750	A	82.9	Confident	82.4	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-62.5	-44.7	175.6	0	0	0	0	0	110.9	Y718 A746 A747 S754	Y718-A750 HydrophobicContact CD1-CB 4.37Å; Y718-A750 HydrophobicContact CE1-CB 3.8Å; Y718-A750 HydrophobicContact CE2-CB 4.04Å; A746-A750 WeakPolarHBondContact O-CB 3.48Å; A746-A750 PolarHBondContact O-N 3.49Å; A747-A750 PolarHBondContact O-N 3.08Å; A750-S754 VanDerWaalsContact O-CB 3.3Å; A750-S754 WeakPolarHBondContact O-CB 3.41Å; A750-S754 PolarHBondContact O-N 3.49Å; A750-S754 PolarHBondContact O-OG 2.83Å
751	W	87	Confident	83.6	Confident	17 Å²	17	40.3 Å²	40.3	6%	0.064	21%	0.214	C	C	.	.	H	α-helix	trans	-65.6	-46.5	175.4	-176.8	-106.5	0	0	0	113	A484 F738 D739 A747 R748 S754 K757 I759	A484-W751 HydrophobicContact CB-CE3 3.67Å; A484-W751 HydrophobicContact CB-CZ3 4.01Å; F738-W751 HydrophobicContact CB-CB 4.03Å; F738-W751 HydrophobicContact CB-CD2 3.91Å; F738-W751 HydrophobicContact CB-CE3 3.66Å; F738-W751 HydrophobicContact CB-CG 4.09Å; F738-W751 HydrophobicContact CB-CZ3 4.41Å; F738-W751 HydrophobicContact CD1-CB 4Å; F738-W751 HydrophobicContact CD1-CE3 4.09Å; F738-W751 AromaticContact CD2-CE3 3.9Å; F738-W751 HydrophobicContact CD2-CE3 3.9Å; F738-W751 HydrophobicContact CD2-CZ3 4.16Å; F738-W751 HydrophobicContact CG-CB 4.34Å; F738-W751 HydrophobicContact CG-CD2 4.31Å; F738-W751 AromaticContact CG-CE3 3.63Å; F738-W751 HydrophobicContact CG-CE3 3.63Å; F738-W751 HydrophobicContact CG-CZ3 4.32Å; D739-W751 PolarHBondContact OD2-NE1 2.92Å; A747-W751 PolarHBondContact O-N 2.96Å; R748-W751 PolarHBondContact O-N 3.34Å; W751-S754 PolarHBondContact O-N 3.45Å; W751-K757 HydrophobicContact CD2-CD 4.23Å; W751-K757 HydrophobicContact CE3-CD 4.32Å; W751-K757 HydrophobicContact CH2-CB 4.24Å; W751-K757 HydrophobicContact CH2-CD 3.76Å; W751-K757 HydrophobicContact CH2-CG 4.29Å; W751-K757 HydrophobicContact CZ2-CD 3.69Å; W751-K757 HydrophobicContact CZ3-CB 4.33Å; W751-K757 HydrophobicContact CZ3-CD 4.1Å; W751-K757 HydrophobicContact CZ3-CG 4.26Å; W751-K757 WeakPolarHBondContact O-CE 3.46Å; W751-K757 PolarHBondContact O-NZ 3.49Å; W751-I759 HydrophobicContact CH2-CD1 3.97Å; W751-I759 HydrophobicContact CZ3-CD1 4.34Å
752	G	85.1	Confident	85	Confident	57 Å²	57	33.8 Å²	33.8	59%	0.588	18%	0.179	S	C	*	.	H	α-helix	trans	-69.4	-31.8	-177.8	0	0	0	0	0	113.9	R748 A749	R748-G752 PolarHBondContact O-N 3.27Å; A749-G752 PolarHBondContact O-N 2.97Å
753	N	88.7	Confident	86.2	Confident	46 Å²	46	26.2 Å²	26.2	25%	0.246	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.2	15.5	178.5	-63.8	-71.4	0	0	0	113.2	N480 N482 Y718 A749	N480-N753 PolarHBondContact ND2-O 3.21Å; N480-N753 PolarHBondContact OD1-O 2.89Å; N480-N753 VanDerWaalsContact OD1-O 3.08Å; N482-N753 PolarHBondContact ND2-O 3.39Å; Y718-N753 HydrophobicContact CD1-CB 4.22Å; A749-N753 VanDerWaalsContact O-CB 3.24Å; A749-N753 WeakPolarHBondContact O-CB 3.15Å; A749-N753 PolarHBondContact O-N 3.46Å; A749-N753 PolarHBondContact O-ND2 3.18Å
754	S	91.9	Very high	87.2	Confident	8 Å²	8	29.8 Å²	29.8	6%	0.056	18%	0.181	C	C	.	.			trans	-99.1	110.5	172.1	-69.3	0	0	0	0	110.8	A750 W751 Y756 K757	A750-S754 VanDerWaalsContact O-CB 3.3Å; A750-S754 WeakPolarHBondContact O-CB 3.41Å; A750-S754 PolarHBondContact O-N 3.49Å; A750-S754 PolarHBondContact O-OG 2.83Å; W751-S754 PolarHBondContact O-N 3.45Å; S754-Y756 PolarHBondContact O-N 3.44Å; S754-K757 WeakPolarHBondContact O-CE 3.12Å
755	S	93.8	Very high	88.3	Confident	2 Å²	2	36.8 Å²	36.8	1%	0.014	21%	0.209	C	C	.	.	S	Bend	trans	-63.8	-32.3	171.7	-72.5	0	0	0	0	111.9	T479 N480 N482 V804 E805	T479-S755 PolarHBondContact N-OG 3.34Å; T479-S755 VanDerWaalsContact N-OG 3.15Å; T479-S755 PolarHBondContact OG1-OG 3.44Å; T479-S755 VanDerWaalsContact OG1-OG 3.07Å; N480-S755 VanDerWaalsContact CG-OG 3.29Å; N480-S755 PolarHBondContact N-OG 2.89Å; N480-S755 PolarHBondContact ND2-OG 3.35Å; N480-S755 WeakPolarHBondContact O-CB 3.5Å; N480-S755 PolarHBondContact O-OG 3.27Å; N480-S755 PolarHBondContact OD1-N 2.77Å; N480-S755 VanDerWaalsContact OD1-N 3.1Å; N480-S755 PolarHBondContact OD1-OG 3.44Å; N482-S755 PolarHBondContact O-N 3.39Å; S755-V804 WeakPolarHBondContact O-CA 3.33Å; S755-E805 VanDerWaalsContact CB-OE1 3.3Å; S755-E805 WeakPolarHBondContact CB-OE1 3.12Å; S755-E805 PolarHBondContact O-N 2.97Å; S755-E805 PolarHBondContact OG-OE1 3.25Å
756	Y	95.4	Very high	89.2	Confident	5 Å²	5	36.3 Å²	36.3	2%	0.02	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	129	178.5	-62.8	-96.3	0	0	0	110	I471 N478 N482 M483 A484 S754 L802 Q803 V804	I471-Y756 HydrophobicContact CB-CD2 4.4Å; I471-Y756 HydrophobicContact CB-CE2 4.21Å; I471-Y756 HydrophobicContact CG2-CD1 4.18Å; I471-Y756 HydrophobicContact CG2-CD2 4.21Å; I471-Y756 HydrophobicContact CG2-CE1 4.31Å; I471-Y756 HydrophobicContact CG2-CE2 4.36Å; I471-Y756 HydrophobicContact CG2-CG 4.13Å; N478-Y756 HydrophobicContact CB-CE2 4.16Å; N482-Y756 PolarHBondContact O-N 3.35Å; N482-Y756 VanDerWaalsContact O-N 3.1Å; M483-Y756 CarbonylContact C-O 3.58Å; M483-Y756 WeakPolarHBondContact CA-O 3.49Å; A484-Y756 PolarHBondContact N-O 2.96Å; S754-Y756 PolarHBondContact O-N 3.44Å; Y756-L802 HydrophobicContact CD1-CD1 4.37Å; Y756-Q803 CarbonylContact C-O 3.59Å; Y756-Q803 WeakPolarHBondContact CA-O 3.11Å; Y756-V804 HydrophobicContact CD1-CG1 4.3Å; Y756-V804 HydrophobicContact CD1-CG2 3.69Å; Y756-V804 HydrophobicContact CE1-CG1 3.98Å; Y756-V804 HydrophobicContact CE1-CG2 3.79Å
757	K	95.1	Very high	90.2	Very high	44 Å²	44	36.9 Å²	36.9	19%	0.191	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	129.4	173.8	-56.9	174	177.1	-176.9	0	109.2	A484 W751 S754 Q803	A484-K757 HydrophobicContact CB-CG 4.48Å; A484-K757 CarbonylContact O-C 3.5Å; A484-K757 VanDerWaalsContact O-CA 3.31Å; A484-K757 WeakPolarHBondContact O-CA 3.44Å; W751-K757 HydrophobicContact CD2-CD 4.23Å; W751-K757 HydrophobicContact CE3-CD 4.32Å; W751-K757 HydrophobicContact CH2-CB 4.24Å; W751-K757 HydrophobicContact CH2-CD 3.76Å; W751-K757 HydrophobicContact CH2-CG 4.29Å; W751-K757 HydrophobicContact CZ2-CD 3.69Å; W751-K757 HydrophobicContact CZ3-CB 4.33Å; W751-K757 HydrophobicContact CZ3-CD 4.1Å; W751-K757 HydrophobicContact CZ3-CG 4.26Å; W751-K757 WeakPolarHBondContact O-CE 3.46Å; W751-K757 PolarHBondContact O-NZ 3.49Å; S754-K757 WeakPolarHBondContact O-CE 3.12Å; K757-Q803 HydrophobicContact CB-CB 4.2Å; K757-Q803 PolarHBondContact N-O 3.03Å; K757-Q803 PolarHBondContact O-N 2.99Å
758	I	96.6	Very high	91	Very high	2 Å²	2	39.7 Å²	39.7	1%	0.01	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	119.5	-179.6	-62.8	-175.1	0	0	0	108.8	M483 A484 V485 C486 L496 L760 F800 L801 L802	M483-I758 HydrophobicContact CE-CD1 3.93Å; M483-I758 HydrophobicContact CG-CD1 4.44Å; M483-I758 HydrophobicContact CG-CG1 4.46Å; M483-I758 HydrophobicContact SD-CD1 3.48Å; M483-I758 WeakPolarHBondContact SD-CD1 3.26Å; M483-I758 HydrophobicContact SD-CG1 4.1Å; A484-I758 PolarHBondContact O-N 2.89Å; V485-I758 CarbonylContact C-O 3.55Å; V485-I758 WeakPolarHBondContact CA-O 3.38Å; V485-I758 HydrophobicContact CG1-CB 4.34Å; V485-I758 HydrophobicContact CG1-CG2 4.37Å; V485-I758 HydrophobicContact CG2-CB 4.29Å; C486-I758 PolarHBondContact N-O 3.2Å; L496-I758 HydrophobicContact CD1-CD1 4.38Å; L496-I758 HydrophobicContact CD2-CD1 3.54Å; L496-I758 HydrophobicContact CD2-CG2 4.36Å; I758-L760 HydrophobicContact CG2-CD1 3.63Å; I758-L760 HydrophobicContact CG2-CG 4.08Å; I758-F800 HydrophobicContact CD1-CD2 4.5Å; I758-F800 HydrophobicContact CD1-CE2 4.45Å; I758-F800 HydrophobicContact CG2-CB 3.75Å; I758-F800 HydrophobicContact CG2-CD2 3.75Å; I758-F800 HydrophobicContact CG2-CG 3.98Å; I758-L801 VanDerWaalsContact CA-O 3.3Å; I758-L801 WeakPolarHBondContact CA-O 3.38Å; I758-L802 HydrophobicContact CD1-CD1 4.2Å; I758-L802 HydrophobicContact CG1-CD1 3.77Å
759	I	96.5	Very high	91.6	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	113.2	173.6	-51.3	-58.3	0	0	0	108.3	C486 I735 W751 Q762 F778 I786 F789 F800 L801	C486-I759 HydrophobicContact CB-CD1 3.85Å; I735-I759 HydrophobicContact CD1-CD1 4.06Å; W751-I759 HydrophobicContact CH2-CD1 3.97Å; W751-I759 HydrophobicContact CZ3-CD1 4.34Å; I759-Q762 HydrophobicContact CG2-CG 4.27Å; I759-F778 HydrophobicContact CG1-CE1 4.4Å; I759-F778 HydrophobicContact CG1-CZ 4.3Å; I759-I786 HydrophobicContact CB-CD1 4.46Å; I759-I786 HydrophobicContact CG2-CD1 3.9Å; I759-I786 HydrophobicContact CG2-CG1 4.2Å; I759-I786 HydrophobicContact CG2-CG2 4.18Å; I759-F789 WeakPolarHBondContact O-CE2 3.07Å; I759-F800 CarbonylContact O-C 3.49Å; I759-F800 VanDerWaalsContact O-CA 3.31Å; I759-F800 WeakPolarHBondContact O-CA 3.3Å; I759-L801 HydrophobicContact CB-CB 4.19Å; I759-L801 HydrophobicContact CG1-CD2 4.42Å; I759-L801 PolarHBondContact N-O 3.14Å; I759-L801 PolarHBondContact O-N 3.36Å
760	L	97.4	Very high	92.2	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	-172.1	172.8	-57.4	98.7	0	0	0	110.3	V485 C486 A491 K493 I758 Q762 F800	V485-L760 HydrophobicContact CG1-CD1 3.41Å; V485-L760 VanDerWaalsContact CG1-CD1 3.41Å; C486-L760 WeakPolarHBondContact O-CD1 3.45Å; C486-L760 PolarHBondContact O-N 2.81Å; A491-L760 HydrophobicContact CB-CB 3.86Å; A491-L760 VanDerWaalsContact O-CD2 3.26Å; A491-L760 WeakPolarHBondContact O-CD2 3.22Å; K493-L760 HydrophobicContact CG-CD1 4.25Å; I758-L760 HydrophobicContact CG2-CD1 3.63Å; I758-L760 HydrophobicContact CG2-CG 4.08Å; L760-Q762 PolarHBondContact O-N 3.05Å; L760-Q762 PolarHBondContact O-NE2 2.92Å; L760-F800 HydrophobicContact CD2-CB 4.38Å; L760-F800 HydrophobicContact CG-CB 3.9Å
761	K	96.1	Very high	92.6	Very high	60 Å²	60	39 Å²	39	26%	0.261	22%	0.223	S	C	.	.			trans	-45.2	130.4	175.6	179.8	-178.5	-167.9	178.9	0	111.6	G487 T488 A491 F789	G487-K761 CarbonylContact C-O 3.5Å; G487-K761 WeakPolarHBondContact CA-O 3.38Å; T488-K761 HydrophobicContact CG2-CB 4.45Å; T488-K761 HydrophobicContact CG2-CD 4.19Å; T488-K761 HydrophobicContact CG2-CG 3.97Å; T488-K761 WeakPolarHBondContact CG2-O 3.23Å; T488-K761 PolarHBondContact N-O 2.78Å; A491-K761 HydrophobicContact CB-CB 3.82Å; K761-F789 HydrophobicContact CB-CB 3.91Å; K761-F789 WeakPolarHBondContact CD-O 3.03Å; K761-F789 HydrophobicContact CG-CB 4.47Å; K761-F789 VanDerWaalsContact CG-O 3.32Å; K761-F789 WeakPolarHBondContact CG-O 3.36Å
762	Q	94.7	Very high	92.8	Very high	16 Å²	16	45.9 Å²	45.9	8%	0.075	26%	0.256	C	S	.	.			trans	-106.7	159.2	177.2	-60	-62.9	-52.3	0	0	111.3	C486 I759 L760 A764 F767 I786	C486-Q762 PolarHBondContact O-NE2 3.29Å; C486-Q762 PolarHBondContact SG-NE2 3.46Å; I759-Q762 HydrophobicContact CG2-CG 4.27Å; L760-Q762 PolarHBondContact O-N 3.05Å; L760-Q762 PolarHBondContact O-NE2 2.92Å; Q762-A764 PolarHBondContact O-N 3.37Å; Q762-F767 HydrophobicContact CB-CB 3.75Å; Q762-F767 HydrophobicContact CB-CD2 4.12Å; Q762-F767 HydrophobicContact CB-CG 3.97Å; Q762-F767 HydrophobicContact CG-CB 4.46Å; Q762-F767 HydrophobicContact CG-CD2 3.89Å; Q762-F767 HydrophobicContact CG-CE2 4.4Å; Q762-F767 HydrophobicContact CG-CG 4.23Å; Q762-I786 HydrophobicContact CB-CG2 4.32Å; Q762-I786 HydrophobicContact CG-CG2 3.65Å
763	S	93.7	Very high	93	Very high	40 Å²	40	48.1 Å²	48.1	28%	0.28	25%	0.254	S	S	.	.			trans	-64.8	124.2	164.5	169.3	0	0	0	0	109.1	K765 E766 F767	S763-K765 VanDerWaalsContact C-N 3.27Å; S763-K765 PolarHBondContact O-N 2.97Å; S763-E766 PolarHBondContact O-N 3.17Å; S763-F767 VanDerWaalsContact O-CB 3.27Å; S763-F767 WeakPolarHBondContact O-CB 3.5Å; S763-F767 PolarHBondContact O-N 3.5Å
764	A	91.3	Very high	93.1	Very high	84 Å²	84	49 Å²	49	69%	0.694	25%	0.254	S	S	*	.	H	α-helix	trans	-55.9	-41.9	-175.4	0	0	0	0	0	112.6	Q762 A768	Q762-A764 PolarHBondContact O-N 3.37Å; A764-A768 VanDerWaalsContact O-CB 3.28Å; A764-A768 WeakPolarHBondContact O-CB 3.27Å; A764-A768 PolarHBondContact O-N 2.84Å
765	K	92.4	Very high	92.9	Very high	164 Å²	164	52 Å²	52	71%	0.713	27%	0.273	S	S	*	.	H	α-helix	trans	-68	-47.8	179.4	-174.8	-178.5	177.9	-176.2	0	112.1	S763 A768 K769	S763-K765 VanDerWaalsContact C-N 3.27Å; S763-K765 PolarHBondContact O-N 2.97Å; K765-A768 PolarHBondContact O-N 3.14Å; K765-K769 WeakPolarHBondContact O-CB 3.38Å; K765-K769 PolarHBondContact O-N 3.41Å
766	E	90.1	Very high	92.6	Very high	66 Å²	66	59.4 Å²	59.4	31%	0.308	31%	0.313	S	S	.	.	H	α-helix	trans	-69.6	-37	-178.9	-62.8	-52.3	131.4	0	0	111.5	S763 K769 Y770	S763-E766 PolarHBondContact O-N 3.17Å; E766-K769 PolarHBondContact O-N 3.31Å; E766-Y770 VanDerWaalsContact O-CB 3.32Å; E766-Y770 WeakPolarHBondContact O-CB 3.23Å; E766-Y770 PolarHBondContact O-N 3.4Å
767	F	92.6	Very high	92.2	Very high	13 Å²	13	62.7 Å²	62.7	6%	0.057	33%	0.328	C	S	.	.	H	α-helix	trans	-67.6	-41	175.6	-170.1	-122	0	0	0	112.2	Q762 S763 Y770 N771 F778 R783 I786	Q762-F767 HydrophobicContact CB-CB 3.75Å; Q762-F767 HydrophobicContact CB-CD2 4.12Å; Q762-F767 HydrophobicContact CB-CG 3.97Å; Q762-F767 HydrophobicContact CG-CB 4.46Å; Q762-F767 HydrophobicContact CG-CD2 3.89Å; Q762-F767 HydrophobicContact CG-CE2 4.4Å; Q762-F767 HydrophobicContact CG-CG 4.23Å; S763-F767 VanDerWaalsContact O-CB 3.27Å; S763-F767 WeakPolarHBondContact O-CB 3.5Å; S763-F767 PolarHBondContact O-N 3.5Å; F767-Y770 PolarHBondContact O-N 2.88Å; F767-N771 VanDerWaalsContact CD1-ND2 3.29Å; F767-N771 WeakPolarHBondContact CD1-ND2 3.44Å; F767-N771 WeakPolarHBondContact CE1-ND2 3.27Å; F767-N771 WeakPolarHBondContact CE2-ND2 3.46Å; F767-N771 WeakPolarHBondContact CZ-ND2 3.42Å; F767-N771 WeakPolarHBondContact O-CB 3.48Å; F767-N771 PolarHBondContact O-N 3.12Å; F767-N771 PolarHBondContact O-ND2 3.43Å; F767-F778 AromaticContact CE2-CD2 3.98Å; F767-F778 HydrophobicContact CE2-CD2 3.98Å; F767-F778 AromaticContact CE2-CE2 3.8Å; F767-F778 HydrophobicContact CE2-CE2 3.8Å; F767-F778 HydrophobicContact CZ-CD2 4.22Å; F767-F778 HydrophobicContact CZ-CE2 4.41Å; F767-R783 HydrophobicContact CE1-CB 4.4Å; F767-I786 HydrophobicContact CD1-CG2 4.27Å; F767-I786 HydrophobicContact CD2-CG2 4.4Å; F767-I786 HydrophobicContact CE1-CB 3.96Å; F767-I786 HydrophobicContact CE1-CG2 3.77Å; F767-I786 HydrophobicContact CE2-CD1 4.34Å; F767-I786 HydrophobicContact CE2-CG2 3.92Å; F767-I786 HydrophobicContact CZ-CB 3.78Å; F767-I786 HydrophobicContact CZ-CD1 3.92Å; F767-I786 HydrophobicContact CZ-CG1 4.47Å; F767-I786 HydrophobicContact CZ-CG2 3.58Å
768	A	92.3	Very high	92	Very high	61 Å²	61	60.8 Å²	60.8	50%	0.504	32%	0.32	S	S	.	.	H	α-helix	trans	-60.8	-46	174.1	0	0	0	0	0	111.3	A764 K765 N771 Q772	A764-A768 VanDerWaalsContact O-CB 3.28Å; A764-A768 WeakPolarHBondContact O-CB 3.27Å; A764-A768 PolarHBondContact O-N 2.84Å; K765-A768 PolarHBondContact O-N 3.14Å; A768-N771 PolarHBondContact O-N 3Å; A768-Q772 PolarHBondContact O-N 3.27Å
769	K	91.4	Very high	91.8	Very high	114 Å²	114	66.9 Å²	66.9	50%	0.496	35%	0.348	S	S	.	.	H	α-helix	trans	-61.9	-43.1	175.3	-175.8	-177.3	175.7	-170.3	0	112	K765 E766 Q772 L773	K765-K769 WeakPolarHBondContact O-CB 3.38Å; K765-K769 PolarHBondContact O-N 3.41Å; E766-K769 PolarHBondContact O-N 3.31Å; K769-Q772 WeakPolarHBondContact O-CB 3.29Å; K769-Q772 PolarHBondContact O-N 3.35Å; K769-L773 HydrophobicContact CG-CD1 4.31Å; K769-L773 WeakPolarHBondContact O-CG 3.21Å; K769-L773 PolarHBondContact O-N 3.5Å
770	Y	90.8	Very high	91.5	Very high	1 Å²	1	71.3 Å²	71.3	0%	0.004	38%	0.378	C	S	.	.	H	α-helix	trans	-59.6	-49.6	176.1	-179.5	-98.9	0	0	0	111.7	I735 V736 D739 E766 F767 Q772 L773 Y774 Q777 F778	I735-Y770 HydrophobicContact CD1-CD1 4.48Å; I735-Y770 HydrophobicContact CD1-CE1 3.87Å; I735-Y770 HydrophobicContact CG1-CE1 4.26Å; I735-Y770 HydrophobicContact CG1-CE2 4.27Å; I735-Y770 HydrophobicContact CG2-CD1 3.78Å; I735-Y770 HydrophobicContact CG2-CD2 3.61Å; I735-Y770 HydrophobicContact CG2-CE1 4.05Å; I735-Y770 HydrophobicContact CG2-CE2 3.85Å; I735-Y770 HydrophobicContact CG2-CG 3.53Å; V736-Y770 HydrophobicContact CG1-CD2 3.48Å; V736-Y770 VanDerWaalsContact CG1-CD2 3.48Å; V736-Y770 HydrophobicContact CG1-CE2 4.14Å; V736-Y770 HydrophobicContact CG1-CG 4.46Å; D739-Y770 PolarHBondContact OD2-OH 3.33Å; E766-Y770 VanDerWaalsContact O-CB 3.32Å; E766-Y770 WeakPolarHBondContact O-CB 3.23Å; E766-Y770 PolarHBondContact O-N 3.4Å; F767-Y770 PolarHBondContact O-N 2.88Å; Y770-Q772 PolarHBondContact O-N 2.88Å; Y770-L773 PolarHBondContact O-N 2.86Å; Y770-L773 VanDerWaalsContact O-N 3.12Å; Y770-Y774 AromaticContact CD2-CD2 3.54Å; Y770-Y774 HydrophobicContact CD2-CD2 3.54Å; Y770-Y774 AromaticContact CD2-CE2 3.94Å; Y770-Y774 HydrophobicContact CD2-CE2 3.94Å; Y770-Y774 HydrophobicContact CE1-CD2 4.48Å; Y770-Y774 AromaticContact CE2-CD2 3.39Å; Y770-Y774 HydrophobicContact CE2-CD2 3.39Å; Y770-Y774 AromaticContact CE2-CE2 3.78Å; Y770-Y774 HydrophobicContact CE2-CE2 3.78Å; Y770-Y774 HydrophobicContact CE2-CG 4.26Å; Y770-Y774 HydrophobicContact CG-CD2 4.23Å; Y770-Y774 AromaticContact CZ-CD2 3.9Å; Y770-Y774 PolarHBondContact O-N 2.9Å; Y770-Q777 HydrophobicContact CE1-CB 4.15Å; Y770-Q777 HydrophobicContact CE1-CG 3.95Å; Y770-F778 HydrophobicContact CD1-CE2 4.19Å; Y770-F778 HydrophobicContact CE1-CD2 4.2Å; Y770-F778 AromaticContact CE1-CE2 3.72Å; Y770-F778 HydrophobicContact CE1-CE2 3.72Å
771	N	91.7	Very high	91.2	Very high	20 Å²	20	74.6 Å²	74.6	11%	0.107	40%	0.395	C	S	.	.	H	α-helix	trans	-64	-27.7	178.5	-73.9	-55.6	0	0	0	112.9	F767 A768 Y774 P775 R783	F767-N771 VanDerWaalsContact CD1-ND2 3.29Å; F767-N771 WeakPolarHBondContact CD1-ND2 3.44Å; F767-N771 WeakPolarHBondContact CE1-ND2 3.27Å; F767-N771 WeakPolarHBondContact CE2-ND2 3.46Å; F767-N771 WeakPolarHBondContact CZ-ND2 3.42Å; F767-N771 WeakPolarHBondContact O-CB 3.48Å; F767-N771 PolarHBondContact O-N 3.12Å; F767-N771 PolarHBondContact O-ND2 3.43Å; A768-N771 PolarHBondContact O-N 3Å; N771-Y774 CarbonylContact O-C 3.56Å; N771-P775 VanDerWaalsContact O-CA 3.27Å; N771-P775 WeakPolarHBondContact O-CA 3.15Å; N771-R783 PolarHBondContact OD1-NE 3.02Å
772	Q	91.6	Very high	91.1	Very high	160 Å²	160	72.4 Å²	72.4	75%	0.748	39%	0.385	S	S	*	.	H	α-helix	trans	-71.4	-39.7	173.2	-173.6	-178.6	13.4	0	0	112	A768 K769 Y770	A768-Q772 PolarHBondContact O-N 3.27Å; K769-Q772 WeakPolarHBondContact O-CB 3.29Å; K769-Q772 PolarHBondContact O-N 3.35Å; Y770-Q772 PolarHBondContact O-N 2.88Å
773	L	89.6	Confident	91.2	Very high	105 Å²	105	74.4 Å²	74.4	55%	0.55	39%	0.392	S	S	.	.	H	α-helix	trans	-74.9	-34.1	177.9	-67.9	171.7	0	0	0	112.2	K769 Y770 P775	K769-L773 HydrophobicContact CG-CD1 4.31Å; K769-L773 WeakPolarHBondContact O-CG 3.21Å; K769-L773 PolarHBondContact O-N 3.5Å; Y770-L773 PolarHBondContact O-N 2.86Å; Y770-L773 VanDerWaalsContact O-N 3.12Å; L773-P775 WeakPolarHBondContact O-CD 3.48Å
774	Y	89.9	Confident	91.2	Very high	64 Å²	64	76.7 Å²	76.7	25%	0.251	40%	0.401	S	S	.	.			trans	-127.9	70.7	-176.5	-52.2	-76.4	0	0	0	111.3	S740 Y770 N771 D776 Q777	S740-Y774 WeakPolarHBondContact CA-OH 3.15Å; Y770-Y774 AromaticContact CD2-CD2 3.54Å; Y770-Y774 HydrophobicContact CD2-CD2 3.54Å; Y770-Y774 AromaticContact CD2-CE2 3.94Å; Y770-Y774 HydrophobicContact CD2-CE2 3.94Å; Y770-Y774 HydrophobicContact CE1-CD2 4.48Å; Y770-Y774 AromaticContact CE2-CD2 3.39Å; Y770-Y774 HydrophobicContact CE2-CD2 3.39Å; Y770-Y774 AromaticContact CE2-CE2 3.78Å; Y770-Y774 HydrophobicContact CE2-CE2 3.78Å; Y770-Y774 HydrophobicContact CE2-CG 4.26Å; Y770-Y774 HydrophobicContact CG-CD2 4.23Å; Y770-Y774 AromaticContact CZ-CD2 3.9Å; Y770-Y774 PolarHBondContact O-N 2.9Å; N771-Y774 CarbonylContact O-C 3.56Å; Y774-D776 PolarHBondContact O-N 2.79Å; Y774-D776 VanDerWaalsContact O-N 3.16Å; Y774-Q777 PolarHBondContact O-N 2.91Å
775	P	87.2	Confident	91.3	Very high	71 Å²	71	72.9 Å²	72.9	46%	0.461	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-5.4	-172.2	30.1	-37.6	0	0	0	115.3	N771 L773 R783	N771-P775 VanDerWaalsContact O-CA 3.27Å; N771-P775 WeakPolarHBondContact O-CA 3.15Å; L773-P775 WeakPolarHBondContact O-CD 3.48Å; P775-R783 VanDerWaalsContact CA-NH2 3.3Å; P775-R783 PolarHBondContact O-NH1 3.11Å; P775-R783 PolarHBondContact O-NH2 3.34Å
776	D	88.4	Confident	91.5	Very high	157 Å²	157	65.2 Å²	65.2	84%	0.84	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.2	-5	177.2	-62.5	-43.8	0	0	0	113.3	Y774 F778	Y774-D776 PolarHBondContact O-N 2.79Å; Y774-D776 VanDerWaalsContact O-N 3.16Å; D776-F778 PolarHBondContact O-N 2.75Å
777	Q	87.1	Confident	91.7	Very high	74 Å²	74	64.8 Å²	64.8	35%	0.346	35%	0.35	S	S	.	.	S	Bend	trans	-67.4	-37.5	-174.8	-171.2	71.3	-1.4	0	0	113.2	D739 Y770 Y774	D739-Q777 PolarHBondContact OD2-NE2 3.45Å; Y770-Q777 HydrophobicContact CE1-CB 4.15Å; Y770-Q777 HydrophobicContact CE1-CG 3.95Å; Y774-Q777 PolarHBondContact O-N 2.91Å
778	F	91.7	Very high	91.7	Very high	5 Å²	5	69.8 Å²	69.8	2%	0.022	37%	0.371	C	S	.	.	S	Bend	trans	-124.1	136.8	179.7	-66.8	-68	0	0	0	110.2	I735 I759 F767 Y770 D776 Q782 R783 I786 L801	I735-F778 HydrophobicContact CD1-CE2 3.5Å; I735-F778 VanDerWaalsContact CD1-CE2 3.5Å; I735-F778 HydrophobicContact CD1-CZ 3.37Å; I759-F778 HydrophobicContact CG1-CE1 4.4Å; I759-F778 HydrophobicContact CG1-CZ 4.3Å; F767-F778 AromaticContact CE2-CD2 3.98Å; F767-F778 HydrophobicContact CE2-CD2 3.98Å; F767-F778 AromaticContact CE2-CE2 3.8Å; F767-F778 HydrophobicContact CE2-CE2 3.8Å; F767-F778 HydrophobicContact CZ-CD2 4.22Å; F767-F778 HydrophobicContact CZ-CE2 4.41Å; Y770-F778 HydrophobicContact CD1-CE2 4.19Å; Y770-F778 HydrophobicContact CE1-CD2 4.2Å; Y770-F778 AromaticContact CE1-CE2 3.72Å; Y770-F778 HydrophobicContact CE1-CE2 3.72Å; D776-F778 PolarHBondContact O-N 2.75Å; F778-Q782 HydrophobicContact CB-CB 4.09Å; F778-Q782 HydrophobicContact CD1-CB 4.18Å; F778-R783 HydrophobicContact CB-CG 3.76Å; F778-R783 PolarHBondContact O-NH2 3.03Å; F778-R783 VanDerWaalsContact O-NH2 3.11Å; F778-I786 HydrophobicContact CD1-CD1 4.01Å; F778-I786 HydrophobicContact CE1-CD1 3.86Å; F778-I786 HydrophobicContact CG-CD1 4.45Å; F778-I786 HydrophobicContact CZ-CD1 4.16Å; F778-L801 HydrophobicContact CE1-CD2 4.23Å
779	Q	91.3	Very high	91.8	Very high	129 Å²	129	67.3 Å²	67.3	60%	0.603	35%	0.349	S	S	*	.			trans	-62.8	154.7	169	-64	-178.7	-13.6	0	0	110.3	L781 Q782 R783	Q779-L781 VanDerWaalsContact C-N 3.33Å; Q779-L781 PolarHBondContact O-N 3.25Å; Q779-Q782 HydrophobicContact CB-CB 4.49Å; Q779-Q782 HydrophobicContact CB-CG 4.22Å; Q779-Q782 WeakPolarHBondContact O-CA 3.49Å; Q779-Q782 WeakPolarHBondContact O-CB 3.34Å; Q779-Q782 PolarHBondContact O-N 2.97Å; Q779-R783 PolarHBondContact O-N 3.31Å
780	P	91.4	Very high	91.8	Very high	94 Å²	94	62.7 Å²	62.7	61%	0.61	33%	0.334	S	S	*	.	H	α-helix	trans	-50.9	-48.4	179	-29.2	35.7	0	0	0	113.6	Q782 R783 D784	P780-Q782 VanDerWaalsContact C-N 3.25Å; P780-Q782 PolarHBondContact O-N 3.05Å; P780-R783 WeakPolarHBondContact O-CB 3.41Å; P780-R783 PolarHBondContact O-N 3.33Å; P780-R783 VanDerWaalsContact O-N 3.13Å; P780-D784 PolarHBondContact O-N 2.9Å
781	L	90.4	Very high	92	Very high	69 Å²	69	63.4 Å²	63.4	36%	0.361	34%	0.34	S	S	.	.	H	α-helix	trans	-59	-37.1	176.2	178.7	63.1	0	0	0	112.3	L291 L292 Q779 D784 M785	L291-L781 HydrophobicContact CD1-CD2 4.41Å; L292-L781 HydrophobicContact CD1-CD1 4.1Å; L292-L781 HydrophobicContact CD2-CD1 4.34Å; L292-L781 HydrophobicContact CG-CD1 4.11Å; Q779-L781 VanDerWaalsContact C-N 3.33Å; Q779-L781 PolarHBondContact O-N 3.25Å; L781-D784 PolarHBondContact O-N 2.76Å; L781-M785 HydrophobicContact CD1-CG 4.1Å; L781-M785 HydrophobicContact CG-CG 4.33Å; L781-M785 WeakPolarHBondContact O-CB 3.38Å; L781-M785 WeakPolarHBondContact O-CG 3.27Å; L781-M785 PolarHBondContact O-N 2.71Å
782	Q	94.7	Very high	91.9	Very high	14 Å²	14	63.1 Å²	63.1	7%	0.065	34%	0.341	C	S	.	.	H	α-helix	trans	-67	-40	179	-70	170.1	-28.2	0	0	111.7	F778 Q779 P780 M785 I786 S808 W810	F778-Q782 HydrophobicContact CB-CB 4.09Å; F778-Q782 HydrophobicContact CD1-CB 4.18Å; Q779-Q782 HydrophobicContact CB-CB 4.49Å; Q779-Q782 HydrophobicContact CB-CG 4.22Å; Q779-Q782 WeakPolarHBondContact O-CA 3.49Å; Q779-Q782 WeakPolarHBondContact O-CB 3.34Å; Q779-Q782 PolarHBondContact O-N 2.97Å; P780-Q782 VanDerWaalsContact C-N 3.25Å; P780-Q782 PolarHBondContact O-N 3.05Å; Q782-M785 PolarHBondContact O-N 2.76Å; Q782-I786 WeakPolarHBondContact O-CB 3.31Å; Q782-I786 WeakPolarHBondContact O-CD1 3.43Å; Q782-I786 WeakPolarHBondContact O-CG1 3.3Å; Q782-I786 PolarHBondContact O-N 2.57Å; Q782-S808 PolarHBondContact NE2-OG 2.89Å; Q782-W810 HydrophobicContact CB-CH2 3.89Å; Q782-W810 HydrophobicContact CB-CZ2 4.21Å; Q782-W810 HydrophobicContact CG-CH2 3.77Å; Q782-W810 HydrophobicContact CG-CZ2 3.7Å
783	R	95.1	Very high	91.7	Very high	58 Å²	58	65.8 Å²	65.8	22%	0.219	34%	0.344	C	S	.	.	H	α-helix	trans	-61.5	-46.9	174.5	-64.4	-180	170.4	132.8	17	111.6	F767 N771 P775 F778 Q779 P780 M785 I786 G787	F767-R783 HydrophobicContact CE1-CB 4.4Å; N771-R783 PolarHBondContact OD1-NE 3.02Å; P775-R783 VanDerWaalsContact CA-NH2 3.3Å; P775-R783 PolarHBondContact O-NH1 3.11Å; P775-R783 PolarHBondContact O-NH2 3.34Å; F778-R783 HydrophobicContact CB-CG 3.76Å; F778-R783 PolarHBondContact O-NH2 3.03Å; F778-R783 VanDerWaalsContact O-NH2 3.11Å; Q779-R783 PolarHBondContact O-N 3.31Å; P780-R783 WeakPolarHBondContact O-CB 3.41Å; P780-R783 PolarHBondContact O-N 3.33Å; P780-R783 VanDerWaalsContact O-N 3.13Å; R783-M785 VanDerWaalsContact C-N 3.35Å; R783-M785 PolarHBondContact O-N 3.21Å; R783-I786 PolarHBondContact O-N 3.09Å; R783-G787 PolarHBondContact O-N 3.36Å
784	D	94	Very high	91.7	Very high	88 Å²	88	65.9 Å²	65.9	47%	0.471	35%	0.345	S	S	.	.	H	α-helix	trans	-63.7	-42.2	-178.9	-65	-19.9	0	0	0	111.2	L292 P780 L781 K788	L292-D784 HydrophobicContact CD2-CB 3.74Å; P780-D784 PolarHBondContact O-N 2.9Å; L781-D784 PolarHBondContact O-N 2.76Å; D784-K788 WeakPolarHBondContact O-CG 3.39Å; D784-K788 PolarHBondContact O-N 3.06Å
785	M	94.9	Very high	91.7	Very high	3 Å²	3	64.5 Å²	64.5	2%	0.015	34%	0.341	C	S	.	.	H	α-helix	trans	-64.6	-51.4	176.4	-74.3	-66.1	-68.5	0	0	112.3	L291 L292 Y462 L781 Q782 R783 G787 K788 F789 W810	L291-M785 VanDerWaalsContact C-SD 3.54Å; L291-M785 HydrophobicContact CB-CE 4Å; L291-M785 HydrophobicContact CB-SD 3.76Å; L291-M785 WeakPolarHBondContact O-CE 3.41Å; L292-M785 HydrophobicContact CD2-CG 4.02Å; L292-M785 HydrophobicContact CD2-SD 3.64Å; L292-M785 HydrophobicContact CG-SD 4.1Å; Y462-M785 HydrophobicContact CD1-CE 3.58Å; Y462-M785 HydrophobicContact CE1-CE 3.69Å; Y462-M785 HydrophobicContact CG-CE 4.15Å; L781-M785 HydrophobicContact CD1-CG 4.1Å; L781-M785 HydrophobicContact CG-CG 4.33Å; L781-M785 WeakPolarHBondContact O-CB 3.38Å; L781-M785 WeakPolarHBondContact O-CG 3.27Å; L781-M785 PolarHBondContact O-N 2.71Å; Q782-M785 PolarHBondContact O-N 2.76Å; R783-M785 VanDerWaalsContact C-N 3.35Å; R783-M785 PolarHBondContact O-N 3.21Å; M785-G787 VanDerWaalsContact C-N 3.26Å; M785-G787 PolarHBondContact O-N 3.29Å; M785-K788 PolarHBondContact O-N 3.41Å; M785-F789 VanDerWaalsContact O-CD1 3.31Å; M785-F789 WeakPolarHBondContact O-CD1 3.35Å; M785-F789 PolarHBondContact O-N 3.23Å; M785-W810 HydrophobicContact CB-CD2 4.35Å; M785-W810 HydrophobicContact CB-CE3 3.9Å; M785-W810 HydrophobicContact CB-CH2 3.45Å; M785-W810 VanDerWaalsContact CB-CH2 3.45Å; M785-W810 HydrophobicContact CB-CZ2 3.9Å; M785-W810 HydrophobicContact CB-CZ3 3.4Å; M785-W810 VanDerWaalsContact CB-CZ3 3.4Å; M785-W810 HydrophobicContact CE-CB 4.28Å; M785-W810 HydrophobicContact CE-CD2 3.79Å; M785-W810 HydrophobicContact CE-CE3 3.92Å; M785-W810 HydrophobicContact CE-CG 3.93Å; M785-W810 HydrophobicContact CG-CD2 4.27Å; M785-W810 HydrophobicContact CG-CE3 4.31Å; M785-W810 HydrophobicContact CG-CH2 3.98Å; M785-W810 HydrophobicContact CG-CZ2 3.87Å; M785-W810 HydrophobicContact CG-CZ3 4.15Å
786	I	95.5	Very high	91.9	Very high	3 Å²	3	67.1 Å²	67.1	2%	0.015	34%	0.342	C	S	.	.	H	α-helix	trans	-60.9	-39.1	179.3	-67.4	163	0	0	0	110.5	I759 Q762 F767 F778 Q782 R783 K788 F789 L801 W810	I759-I786 HydrophobicContact CB-CD1 4.46Å; I759-I786 HydrophobicContact CG2-CD1 3.9Å; I759-I786 HydrophobicContact CG2-CG1 4.2Å; I759-I786 HydrophobicContact CG2-CG2 4.18Å; Q762-I786 HydrophobicContact CB-CG2 4.32Å; Q762-I786 HydrophobicContact CG-CG2 3.65Å; F767-I786 HydrophobicContact CD1-CG2 4.27Å; F767-I786 HydrophobicContact CD2-CG2 4.4Å; F767-I786 HydrophobicContact CE1-CB 3.96Å; F767-I786 HydrophobicContact CE1-CG2 3.77Å; F767-I786 HydrophobicContact CE2-CD1 4.34Å; F767-I786 HydrophobicContact CE2-CG2 3.92Å; F767-I786 HydrophobicContact CZ-CB 3.78Å; F767-I786 HydrophobicContact CZ-CD1 3.92Å; F767-I786 HydrophobicContact CZ-CG1 4.47Å; F767-I786 HydrophobicContact CZ-CG2 3.58Å; F778-I786 HydrophobicContact CD1-CD1 4.01Å; F778-I786 HydrophobicContact CE1-CD1 3.86Å; F778-I786 HydrophobicContact CG-CD1 4.45Å; F778-I786 HydrophobicContact CZ-CD1 4.16Å; Q782-I786 WeakPolarHBondContact O-CB 3.31Å; Q782-I786 WeakPolarHBondContact O-CD1 3.43Å; Q782-I786 WeakPolarHBondContact O-CG1 3.3Å; Q782-I786 PolarHBondContact O-N 2.57Å; R783-I786 PolarHBondContact O-N 3.09Å; I786-K788 PolarHBondContact O-N 3.34Å; I786-F789 HydrophobicContact CB-CD2 4.49Å; I786-F789 HydrophobicContact CB-CE2 4.39Å; I786-F789 HydrophobicContact CG1-CE2 4Å; I786-F789 HydrophobicContact CG2-CD2 4.47Å; I786-F789 PolarHBondContact O-N 2.82Å; I786-L801 HydrophobicContact CD1-CD2 4.09Å; I786-W810 HydrophobicContact CG1-CZ3 4.29Å
787	G	93.5	Very high	92.2	Very high	58 Å²	58	59.9 Å²	59.9	60%	0.598	30%	0.303	S	S	*	.	H	α-helix	trans	-63.6	-21.1	176.6	0	0	0	0	0	114.3	R783 M785	R783-G787 PolarHBondContact O-N 3.36Å; M785-G787 VanDerWaalsContact C-N 3.26Å; M785-G787 PolarHBondContact O-N 3.29Å
788	K	93.1	Very high	92.6	Very high	118 Å²	118	56.8 Å²	56.8	51%	0.513	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97	-2.1	178.2	-73.9	-169.4	179.2	-160.6	0	114.5	L292 D784 M785 I786 G790	L292-K788 HydrophobicContact CD2-CD 4.21Å; L292-K788 WeakPolarHBondContact O-CD 3.39Å; L292-K788 PolarHBondContact O-NZ 3.17Å; D784-K788 WeakPolarHBondContact O-CG 3.39Å; D784-K788 PolarHBondContact O-N 3.06Å; M785-K788 PolarHBondContact O-N 3.41Å; I786-K788 PolarHBondContact O-N 3.34Å; K788-G790 PolarHBondContact O-N 2.91Å
789	F	95.3	Very high	92.9	Very high	8 Å²	8	56.7 Å²	56.7	4%	0.035	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-64.2	121.3	176.9	-68.1	-17.2	0	0	0	111.2	Y462 I759 K761 M785 I786 W810	Y462-F789 HydrophobicContact CE2-CE1 4.28Å; Y462-F789 AromaticContact CZ-CE1 3.83Å; Y462-F789 VanDerWaalsContact OH-CD1 3.28Å; Y462-F789 WeakPolarHBondContact OH-CD1 3.5Å; Y462-F789 VanDerWaalsContact OH-CE1 3.24Å; Y462-F789 WeakPolarHBondContact OH-CE1 3.21Å; I759-F789 WeakPolarHBondContact O-CE2 3.07Å; K761-F789 HydrophobicContact CB-CB 3.91Å; K761-F789 WeakPolarHBondContact CD-O 3.03Å; K761-F789 HydrophobicContact CG-CB 4.47Å; K761-F789 VanDerWaalsContact CG-O 3.32Å; K761-F789 WeakPolarHBondContact CG-O 3.36Å; M785-F789 VanDerWaalsContact O-CD1 3.31Å; M785-F789 WeakPolarHBondContact O-CD1 3.35Å; M785-F789 PolarHBondContact O-N 3.23Å; I786-F789 HydrophobicContact CB-CD2 4.49Å; I786-F789 HydrophobicContact CB-CE2 4.39Å; I786-F789 HydrophobicContact CG1-CE2 4Å; I786-F789 HydrophobicContact CG2-CD2 4.47Å; I786-F789 PolarHBondContact O-N 2.82Å; F789-W810 HydrophobicContact CE1-CE3 4.33Å; F789-W810 AromaticContact CZ-CE3 3.82Å; F789-W810 HydrophobicContact CZ-CE3 3.82Å; F789-W810 AromaticContact CZ-CZ3 3.81Å; F789-W810 HydrophobicContact CZ-CZ3 3.81Å
790	G	91.8	Very high	93.2	Very high	18 Å²	18	50.6 Å²	50.6	19%	0.186	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-82.5	170.5	176.9	0	0	0	0	0	112.4	K788	K788-G790 PolarHBondContact O-N 2.91Å
791	A	93.2	Very high	93.5	Very high	15 Å²	15	46.1 Å²	46.1	12%	0.124	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-71.5	137.4	176	0	0	0	0	0	109.7	R793 D794 Q795	A791-R793 PolarHBondContact O-N 2.9Å; A791-D794 HydrophobicContact CB-CB 4.35Å; A791-D794 WeakPolarHBondContact CB-OD2 3.13Å; A791-D794 PolarHBondContact O-N 2.79Å; A791-D794 VanDerWaalsContact O-N 3.07Å; A791-Q795 PolarHBondContact O-N 3.36Å
792	A	91.1	Very high	93.7	Very high	15 Å²	15	42.9 Å²	42.9	12%	0.124	22%	0.215	C	C	.	.	H	α-helix	trans	-62.1	-35.2	-174.9	0	0	0	0	0	112.4	G490 D794 W796 F797	G490-A792 PolarHBondContact O-N 2.88Å; G490-A792 VanDerWaalsContact O-N 3.07Å; A792-D794 VanDerWaalsContact C-N 3.34Å; A792-D794 PolarHBondContact O-N 2.84Å; A792-W796 WeakPolarHBondContact O-CA 3.33Å; A792-W796 PolarHBondContact O-N 3.21Å; A792-F797 WeakPolarHBondContact CA-O 3.49Å
793	R	87.5	Confident	93.7	Very high	215 Å²	215	43.8 Å²	43.8	81%	0.811	22%	0.219	S	C	*	.	H	α-helix	trans	-64.9	-36	176.5	-180	177.1	162.2	167	-3.2	112.9	A791	A791-R793 PolarHBondContact O-N 2.9Å
794	D	88.7	Confident	93.5	Very high	107 Å²	107	41.1 Å²	41.1	57%	0.572	21%	0.209	S	C	*	.	H	α-helix	trans	-80.9	-26.3	-176.1	-59.1	-18.3	0	0	0	111.8	P147 A791 A792	P147-D794 WeakPolarHBondContact CG-O 3.5Å; A791-D794 HydrophobicContact CB-CB 4.35Å; A791-D794 WeakPolarHBondContact CB-OD2 3.13Å; A791-D794 PolarHBondContact O-N 2.79Å; A791-D794 VanDerWaalsContact O-N 3.07Å; A792-D794 VanDerWaalsContact C-N 3.34Å; A792-D794 PolarHBondContact O-N 2.84Å
795	Q	90.7	Very high	93.1	Very high	36 Å²	36	40.7 Å²	40.7	17%	0.168	20%	0.204	C	C	.	.	H	α-helix	trans	-104.5	-11	-177.3	-54.1	-170.6	-68.7	0	0	113.5	M150 A791 F797	M150-Q795 HydrophobicContact CE-CB 4.15Å; M150-Q795 HydrophobicContact CE-CG 3.85Å; M150-Q795 HydrophobicContact SD-CB 4.29Å; A791-Q795 PolarHBondContact O-N 3.36Å; Q795-F797 HydrophobicContact CB-CD1 4.04Å; Q795-F797 HydrophobicContact CB-CE1 3.71Å; Q795-F797 HydrophobicContact CB-CE2 4.28Å; Q795-F797 HydrophobicContact CB-CG 4.45Å; Q795-F797 HydrophobicContact CB-CZ 3.84Å; Q795-F797 WeakPolarHBondContact O-CD1 3.3Å; Q795-F797 VanDerWaalsContact O-CE1 3.28Å; Q795-F797 WeakPolarHBondContact O-CE1 3.47Å; Q795-F797 PolarHBondContact O-N 3.13Å
796	W	91	Very high	92.4	Very high	125 Å²	125	47.9 Å²	47.9	47%	0.473	24%	0.243	S	C	.	.	S	Bend	trans	63.2	10.8	-172.4	-65.6	2.7	0	0	0	115.7	P147 A792	P147-W796 HydrophobicContact CG-CB 4.34Å; P147-W796 HydrophobicContact CG-CD2 3.76Å; P147-W796 HydrophobicContact CG-CE3 4.42Å; P147-W796 HydrophobicContact CG-CG 3.68Å; A792-W796 WeakPolarHBondContact O-CA 3.33Å; A792-W796 PolarHBondContact O-N 3.21Å
797	F	94.9	Very high	91.9	Very high	5 Å²	5	52.8 Å²	52.8	2%	0.022	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	152.8	171.9	58.7	-94.2	0	0	0	110.8	L146 M150 L152 L154 A792 Q795 S799 R812 L813 F814	L146-F797 HydrophobicContact CD2-CD1 4.04Å; L146-F797 HydrophobicContact CD2-CE1 3.88Å; M150-F797 HydrophobicContact SD-CE1 4.27Å; L152-F797 HydrophobicContact CD1-CZ 4.37Å; L154-F797 HydrophobicContact CD1-CD1 4.17Å; L154-F797 HydrophobicContact CD1-CE1 3.61Å; L154-F797 HydrophobicContact CD1-CZ 3.97Å; A792-F797 WeakPolarHBondContact CA-O 3.49Å; Q795-F797 HydrophobicContact CB-CD1 4.04Å; Q795-F797 HydrophobicContact CB-CE1 3.71Å; Q795-F797 HydrophobicContact CB-CE2 4.28Å; Q795-F797 HydrophobicContact CB-CG 4.45Å; Q795-F797 HydrophobicContact CB-CZ 3.84Å; Q795-F797 WeakPolarHBondContact O-CD1 3.3Å; Q795-F797 VanDerWaalsContact O-CE1 3.28Å; Q795-F797 WeakPolarHBondContact O-CE1 3.47Å; Q795-F797 PolarHBondContact O-N 3.13Å; F797-S799 WeakPolarHBondContact CE2-OG 3.26Å; F797-R812 HydrophobicContact CD2-CB 4.06Å; F797-R812 HydrophobicContact CD2-CG 3.9Å; F797-R812 HydrophobicContact CE2-CG 4.05Å; F797-L813 VanDerWaalsContact CA-O 3.28Å; F797-L813 WeakPolarHBondContact CA-O 3.35Å; F797-L813 WeakPolarHBondContact CB-O 3.11Å; F797-F814 HydrophobicContact CB-CD1 3.68Å; F797-F814 HydrophobicContact CB-CE1 3.58Å; F797-F814 HydrophobicContact CB-CG 4.21Å; F797-F814 HydrophobicContact CB-CZ 4.03Å; F797-F814 HydrophobicContact CD1-CD1 4.38Å; F797-F814 AromaticContact CD1-CE1 3.54Å; F797-F814 HydrophobicContact CD1-CE1 3.54Å; F797-F814 AromaticContact CD1-CZ 3.97Å; F797-F814 HydrophobicContact CD1-CZ 3.97Å; F797-F814 HydrophobicContact CE1-CE1 4.45Å; F797-F814 HydrophobicContact CG-CD1 4.36Å; F797-F814 AromaticContact CG-CE1 3.74Å; F797-F814 HydrophobicContact CG-CE1 3.74Å; F797-F814 AromaticContact CG-CZ 3.97Å; F797-F814 HydrophobicContact CG-CZ 3.97Å
798	S	95.2	Very high	91.8	Very high	10 Å²	10	52.3 Å²	52.3	7%	0.07	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	131.1	174.4	-52.7	0	0	0	0	110	G492 R812 L813	G492-S798 WeakPolarHBondContact CA-OG 3.45Å; S798-R812 CarbonylContact O-C 3.58Å; S798-R812 VanDerWaalsContact O-CA 3.27Å; S798-R812 WeakPolarHBondContact O-CA 3.41Å; S798-L813 PolarHBondContact N-O 3.37Å; S798-L813 PolarHBondContact O-N 3.36Å
799	S	97.3	Very high	91.8	Very high	3 Å²	3	47.6 Å²	47.6	2%	0.021	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	131.5	178.3	-66	0	0	0	0	110.5	Y462 F797	Y462-S799 WeakPolarHBondContact OH-CB 3.4Å; Y462-S799 PolarHBondContact OH-OG 3.4Å; F797-S799 WeakPolarHBondContact CE2-OG 3.26Å
800	F	97.8	Very high	91.8	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	148.5	-178.2	64.3	-83.7	0	0	0	114.9	A459 I469 L496 I758 I759 L760 L802 H811 L813	A459-F800 HydrophobicContact CB-CE1 4.5Å; A459-F800 HydrophobicContact CB-CZ 3.96Å; I469-F800 HydrophobicContact CD1-CE2 3.76Å; I469-F800 HydrophobicContact CD1-CZ 3.67Å; L496-F800 HydrophobicContact CD1-CD1 3.75Å; L496-F800 HydrophobicContact CD1-CD2 4.38Å; L496-F800 HydrophobicContact CD1-CE1 3.56Å; L496-F800 HydrophobicContact CD1-CE2 4.18Å; L496-F800 HydrophobicContact CD1-CG 4.16Å; L496-F800 HydrophobicContact CD1-CZ 3.77Å; I758-F800 HydrophobicContact CD1-CD2 4.5Å; I758-F800 HydrophobicContact CD1-CE2 4.45Å; I758-F800 HydrophobicContact CG2-CB 3.75Å; I758-F800 HydrophobicContact CG2-CD2 3.75Å; I758-F800 HydrophobicContact CG2-CG 3.98Å; I759-F800 CarbonylContact O-C 3.49Å; I759-F800 VanDerWaalsContact O-CA 3.31Å; I759-F800 WeakPolarHBondContact O-CA 3.3Å; L760-F800 HydrophobicContact CD2-CB 4.38Å; L760-F800 HydrophobicContact CG-CB 3.9Å; F800-L802 HydrophobicContact CD2-CB 4.27Å; F800-L802 HydrophobicContact CE2-CB 4.16Å; F800-H811 HydrophobicContact CD1-CB 4.21Å; F800-H811 HydrophobicContact CD2-CB 4.07Å; F800-H811 HydrophobicContact CE1-CB 3.67Å; F800-H811 HydrophobicContact CE2-CB 3.54Å; F800-H811 HydrophobicContact CG-CB 4.4Å; F800-H811 HydrophobicContact CZ-CB 3.32Å; F800-H811 PolarHBondContact N-O 2.82Å; F800-H811 PolarHBondContact O-N 3.19Å; F800-L813 HydrophobicContact CE1-CB 4.04Å
801	L	97.3	Very high	92.1	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	126.1	161.5	171.5	60.8	0	0	0	108.2	I758 I759 F778 I786 Q803 W810	I758-L801 VanDerWaalsContact CA-O 3.3Å; I758-L801 WeakPolarHBondContact CA-O 3.38Å; I759-L801 HydrophobicContact CB-CB 4.19Å; I759-L801 HydrophobicContact CG1-CD2 4.42Å; I759-L801 PolarHBondContact N-O 3.14Å; I759-L801 PolarHBondContact O-N 3.36Å; F778-L801 HydrophobicContact CE1-CD2 4.23Å; I786-L801 HydrophobicContact CD1-CD2 4.09Å; L801-Q803 HydrophobicContact CD1-CG 4.22Å; L801-Q803 HydrophobicContact CD2-CG 4.02Å; L801-Q803 HydrophobicContact CG-CG 3.89Å; L801-W810 HydrophobicContact CB-CE3 3.99Å; L801-W810 HydrophobicContact CB-CH2 4.26Å; L801-W810 HydrophobicContact CB-CZ3 3.59Å; L801-W810 HydrophobicContact CD1-CD2 4.29Å; L801-W810 HydrophobicContact CD1-CE3 4.04Å; L801-W810 HydrophobicContact CD1-CH2 3.78Å; L801-W810 HydrophobicContact CD1-CZ2 4.1Å; L801-W810 HydrophobicContact CD1-CZ3 3.8Å; L801-W810 HydrophobicContact CD2-CH2 4.14Å; L801-W810 HydrophobicContact CD2-CZ3 4.29Å; L801-W810 HydrophobicContact CG-CH2 4.27Å; L801-W810 HydrophobicContact CG-CZ3 4.08Å
802	L	96.1	Very high	92.2	Very high	2 Å²	2	46.8 Å²	46.8	1%	0.01	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	123.1	167.7	178.3	65.5	0	0	0	108.8	L452 I469 Y756 I758 F800 V804 S808 S809	L452-L802 HydrophobicContact CD1-CD2 3.58Å; I469-L802 HydrophobicContact CD1-CD2 4.07Å; I469-L802 HydrophobicContact CG1-CD2 4.19Å; Y756-L802 HydrophobicContact CD1-CD1 4.37Å; I758-L802 HydrophobicContact CD1-CD1 4.2Å; I758-L802 HydrophobicContact CG1-CD1 3.77Å; F800-L802 HydrophobicContact CD2-CB 4.27Å; F800-L802 HydrophobicContact CE2-CB 4.16Å; L802-V804 HydrophobicContact CD1-CG2 4.22Å; L802-V804 HydrophobicContact CD2-CG2 4.13Å; L802-V804 HydrophobicContact CG-CG2 3.94Å; L802-S808 CarbonylContact O-C 3.52Å; L802-S808 WeakPolarHBondContact O-CA 3.19Å; L802-S809 PolarHBondContact N-O 3.43Å; L802-S809 PolarHBondContact O-N 3.04Å
803	Q	93.7	Very high	92.5	Very high	32 Å²	32	46.1 Å²	46.1	15%	0.15	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	127.1	168.6	-49.5	-174.7	-61.1	0	0	109	Y756 K757 L801 H807	Y756-Q803 CarbonylContact C-O 3.59Å; Y756-Q803 WeakPolarHBondContact CA-O 3.11Å; K757-Q803 HydrophobicContact CB-CB 4.2Å; K757-Q803 PolarHBondContact N-O 3.03Å; K757-Q803 PolarHBondContact O-N 2.99Å; L801-Q803 HydrophobicContact CD1-CG 4.22Å; L801-Q803 HydrophobicContact CD2-CG 4.02Å; L801-Q803 HydrophobicContact CG-CG 3.89Å; Q803-H807 CarbonylContact C-O 3.38Å; Q803-H807 VanDerWaalsContact CA-O 3.27Å; Q803-H807 WeakPolarHBondContact CA-O 3.29Å
804	V	91.9	Very high	92.9	Very high	3 Å²	3	36.1 Å²	36.1	2%	0.018	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	104	173.2	-171.6	0	0	0	0	107.4	M476 N478 S755 Y756 L802 N806 H807	M476-V804 HydrophobicContact CB-CG1 4.32Å; M476-V804 HydrophobicContact CE-CB 4.08Å; M476-V804 HydrophobicContact CE-CG1 4.08Å; M476-V804 HydrophobicContact CE-CG2 4.02Å; N478-V804 HydrophobicContact CB-CG1 4.4Å; S755-V804 WeakPolarHBondContact O-CA 3.33Å; Y756-V804 HydrophobicContact CD1-CG1 4.3Å; Y756-V804 HydrophobicContact CD1-CG2 3.69Å; Y756-V804 HydrophobicContact CE1-CG1 3.98Å; Y756-V804 HydrophobicContact CE1-CG2 3.79Å; L802-V804 HydrophobicContact CD1-CG2 4.22Å; L802-V804 HydrophobicContact CD2-CG2 4.13Å; L802-V804 HydrophobicContact CG-CG2 3.94Å; V804-N806 PolarHBondContact O-N 3.08Å; V804-H807 PolarHBondContact N-O 3.15Å; V804-H807 PolarHBondContact O-N 2.67Å
805	E	85.1	Confident	93	Very high	78 Å²	78	32.1 Å²	32.1	36%	0.364	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.3	-111.1	-171.3	-56.8	-69.8	168.8	0	0	110.9	T479 S755	T479-E805 WeakPolarHBondContact CB-OE1 3.22Å; T479-E805 WeakPolarHBondContact CG2-OE1 3.44Å; T479-E805 PolarHBondContact N-OE1 3.31Å; T479-E805 PolarHBondContact OG1-OE1 3Å; S755-E805 VanDerWaalsContact CB-OE1 3.3Å; S755-E805 WeakPolarHBondContact CB-OE1 3.12Å; S755-E805 PolarHBondContact O-N 2.97Å; S755-E805 PolarHBondContact OG-OE1 3.25Å
806	N	80	Confident	93.2	Very high	154 Å²	154	30.4 Å²	30.4	82%	0.824	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.9	-2.1	-178.9	-66.2	-24.1	0	0	0	114.1	V804	V804-N806 PolarHBondContact O-N 3.08Å
807	H	85.1	Confident	93.3	Very high	107 Å²	107	24.5 Å²	24.5	50%	0.495	13%	0.129	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	131.6	-176.3	-61.9	-67.1	0	0	0	111	Q803 V804	Q803-H807 CarbonylContact C-O 3.38Å; Q803-H807 VanDerWaalsContact CA-O 3.27Å; Q803-H807 WeakPolarHBondContact CA-O 3.29Å; V804-H807 PolarHBondContact N-O 3.15Å; V804-H807 PolarHBondContact O-N 2.67Å
808	S	90.7	Very high	93.3	Very high	48 Å²	48	24.3 Å²	24.3	34%	0.336	13%	0.128	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	136.2	175.8	-65.1	0	0	0	0	110.1	Q782 L802	Q782-S808 PolarHBondContact NE2-OG 2.89Å; L802-S808 CarbonylContact O-C 3.52Å; L802-S808 WeakPolarHBondContact O-CA 3.19Å
809	S	93.5	Very high	93.1	Very high	18 Å²	18	23.9 Å²	23.9	13%	0.126	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	155.8	174.3	56.4	0	0	0	0	112.1	L802 H811	L802-S809 PolarHBondContact N-O 3.43Å; L802-S809 PolarHBondContact O-N 3.04Å; S809-H811 VanDerWaalsContact CB-NE2 3.3Å; S809-H811 WeakPolarHBondContact CB-NE2 3.17Å; S809-H811 PolarHBondContact OG-CD2 2.94Å; S809-H811 PolarHBondContact OG-NE2 2.78Å
810	W	95.4	Very high	92.9	Very high	20 Å²	20	27.2 Å²	27.2	8%	0.076	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	127.1	-173.9	-54.6	104.2	0	0	0	110.1	L291 T461 Y462 Q782 M785 I786 F789 L801	L291-W810 HydrophobicContact CD2-CG 4.44Å; T461-W810 CarbonylContact C-O 3.29Å; T461-W810 WeakPolarHBondContact CA-O 3.47Å; Y462-W810 HydrophobicContact CD2-CB 3.67Å; Y462-W810 HydrophobicContact CE2-CB 4.43Å; Y462-W810 HydrophobicContact CG-CB 3.84Å; Y462-W810 PolarHBondContact N-O 3.15Å; Q782-W810 HydrophobicContact CB-CH2 3.89Å; Q782-W810 HydrophobicContact CB-CZ2 4.21Å; Q782-W810 HydrophobicContact CG-CH2 3.77Å; Q782-W810 HydrophobicContact CG-CZ2 3.7Å; M785-W810 HydrophobicContact CB-CD2 4.35Å; M785-W810 HydrophobicContact CB-CE3 3.9Å; M785-W810 HydrophobicContact CB-CH2 3.45Å; M785-W810 VanDerWaalsContact CB-CH2 3.45Å; M785-W810 HydrophobicContact CB-CZ2 3.9Å; M785-W810 HydrophobicContact CB-CZ3 3.4Å; M785-W810 VanDerWaalsContact CB-CZ3 3.4Å; M785-W810 HydrophobicContact CE-CB 4.28Å; M785-W810 HydrophobicContact CE-CD2 3.79Å; M785-W810 HydrophobicContact CE-CE3 3.92Å; M785-W810 HydrophobicContact CE-CG 3.93Å; M785-W810 HydrophobicContact CG-CD2 4.27Å; M785-W810 HydrophobicContact CG-CE3 4.31Å; M785-W810 HydrophobicContact CG-CH2 3.98Å; M785-W810 HydrophobicContact CG-CZ2 3.87Å; M785-W810 HydrophobicContact CG-CZ3 4.15Å; I786-W810 HydrophobicContact CG1-CZ3 4.29Å; F789-W810 HydrophobicContact CE1-CE3 4.33Å; F789-W810 AromaticContact CZ-CE3 3.82Å; F789-W810 HydrophobicContact CZ-CE3 3.82Å; F789-W810 AromaticContact CZ-CZ3 3.81Å; F789-W810 HydrophobicContact CZ-CZ3 3.81Å; L801-W810 HydrophobicContact CB-CE3 3.99Å; L801-W810 HydrophobicContact CB-CH2 4.26Å; L801-W810 HydrophobicContact CB-CZ3 3.59Å; L801-W810 HydrophobicContact CD1-CD2 4.29Å; L801-W810 HydrophobicContact CD1-CE3 4.04Å; L801-W810 HydrophobicContact CD1-CH2 3.78Å; L801-W810 HydrophobicContact CD1-CZ2 4.1Å; L801-W810 HydrophobicContact CD1-CZ3 3.8Å; L801-W810 HydrophobicContact CD2-CH2 4.14Å; L801-W810 HydrophobicContact CD2-CZ3 4.29Å; L801-W810 HydrophobicContact CG-CH2 4.27Å; L801-W810 HydrophobicContact CG-CZ3 4.08Å
811	H	97.4	Very high	92.6	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	155.9	-171.9	-67.1	-92	0	0	0	113.7	L452 A459 P460 Y462 F800 S809	L452-H811 WeakPolarHBondContact CD1-CE1 3.23Å; A459-H811 HydrophobicContact CB-CB 4.49Å; A459-H811 PolarHBondContact O-ND1 2.96Å; P460-H811 CarbonylContact O-C 3.55Å; P460-H811 WeakPolarHBondContact O-CA 3.37Å; Y462-H811 WeakPolarHBondContact CE2-O 3.3Å; F800-H811 HydrophobicContact CD1-CB 4.21Å; F800-H811 HydrophobicContact CD2-CB 4.07Å; F800-H811 HydrophobicContact CE1-CB 3.67Å; F800-H811 HydrophobicContact CE2-CB 3.54Å; F800-H811 HydrophobicContact CG-CB 4.4Å; F800-H811 HydrophobicContact CZ-CB 3.32Å; F800-H811 PolarHBondContact N-O 2.82Å; F800-H811 PolarHBondContact O-N 3.19Å; S809-H811 VanDerWaalsContact CB-NE2 3.3Å; S809-H811 WeakPolarHBondContact CB-NE2 3.17Å; S809-H811 PolarHBondContact OG-CD2 2.94Å; S809-H811 PolarHBondContact OG-NE2 2.78Å
812	R	96.7	Very high	92.2	Very high	4 Å²	4	27.4 Å²	27.4	2%	0.015	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	138.3	169.7	-61	-178.9	-170.5	105.2	2.5	109.2	A459 P460 Y462 F797 S798 F814	A459-R812 CarbonylContact C-O 3.55Å; A459-R812 WeakPolarHBondContact CA-O 3.49Å; P460-R812 WeakPolarHBondContact CD-O 3.5Å; P460-R812 PolarHBondContact O-N 2.96Å; Y462-R812 HydrophobicContact CD2-CG 3.98Å; Y462-R812 HydrophobicContact CE2-CG 3.72Å; Y462-R812 PolarHBondContact O-NH1 2.99Å; Y462-R812 PolarHBondContact O-NH2 3.44Å; F797-R812 HydrophobicContact CD2-CB 4.06Å; F797-R812 HydrophobicContact CD2-CG 3.9Å; F797-R812 HydrophobicContact CE2-CG 4.05Å; S798-R812 CarbonylContact O-C 3.58Å; S798-R812 VanDerWaalsContact O-CA 3.27Å; S798-R812 WeakPolarHBondContact O-CA 3.41Å; R812-F814 HydrophobicContact CB-CD2 4.18Å; R812-F814 HydrophobicContact CB-CE2 3.53Å; R812-F814 HydrophobicContact CB-CZ 4.1Å; R812-F814 HydrophobicContact CG-CE2 4.45Å
813	L	96.5	Very high	91.9	Very high	2 Å²	2	28.2 Å²	28.2	1%	0.01	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	115.6	170.6	-179.4	64.5	0	0	0	109.9	L457 G495 L496 F797 S798 F800 V815	L457-L813 HydrophobicContact CD1-CD1 3.88Å; L457-L813 HydrophobicContact CD2-CD1 4.08Å; L457-L813 HydrophobicContact CG-CD1 4.03Å; G495-L813 WeakPolarHBondContact O-CD2 2.85Å; L496-L813 HydrophobicContact CB-CD2 3.89Å; L496-L813 HydrophobicContact CD1-CD2 4.17Å; L496-L813 HydrophobicContact CG-CD2 4.2Å; F797-L813 VanDerWaalsContact CA-O 3.28Å; F797-L813 WeakPolarHBondContact CA-O 3.35Å; F797-L813 WeakPolarHBondContact CB-O 3.11Å; S798-L813 PolarHBondContact N-O 3.37Å; S798-L813 PolarHBondContact O-N 3.36Å; F800-L813 HydrophobicContact CE1-CB 4.04Å; L813-V815 HydrophobicContact CD2-CG2 4.29Å; L813-V815 HydrophobicContact CG-CG2 4.05Å
814	F	95.5	Very high	91.6	Very high	4 Å²	4	27.2 Å²	27.2	2%	0.018	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	129.2	172.9	-63.9	-87.8	0	0	0	109.3	Y135 Y136 F144 L154 P460 F797 R812	Y135-F814 HydrophobicContact CE1-CB 4.06Å; Y136-F814 PolarHBondContact OH-O 2.94Å; F144-F814 HydrophobicContact CB-CD1 3.93Å; F144-F814 HydrophobicContact CB-CE1 3.7Å; F144-F814 HydrophobicContact CB-CZ 4.22Å; F144-F814 HydrophobicContact CD1-CB 3.85Å; F144-F814 AromaticContact CD1-CD1 3.65Å; F144-F814 HydrophobicContact CD1-CD1 3.65Å; F144-F814 HydrophobicContact CD1-CD2 4.09Å; F144-F814 HydrophobicContact CD1-CE1 4.19Å; F144-F814 AromaticContact CD1-CG 3.6Å; F144-F814 HydrophobicContact CD1-CG 3.6Å; F144-F814 HydrophobicContact CD2-CD1 4.33Å; F144-F814 HydrophobicContact CD2-CD2 4.05Å; F144-F814 HydrophobicContact CD2-CE1 4.12Å; F144-F814 AromaticContact CD2-CE2 3.82Å; F144-F814 HydrophobicContact CD2-CE2 3.82Å; F144-F814 HydrophobicContact CD2-CG 4.29Å; F144-F814 AromaticContact CD2-CZ 3.87Å; F144-F814 HydrophobicContact CD2-CZ 3.87Å; F144-F814 HydrophobicContact CE1-CB 3.65Å; F144-F814 HydrophobicContact CE1-CD1 4.24Å; F144-F814 AromaticContact CE1-CD2 3.92Å; F144-F814 HydrophobicContact CE1-CD2 3.92Å; F144-F814 AromaticContact CE1-CG 3.69Å; F144-F814 HydrophobicContact CE1-CG 3.69Å; F144-F814 AromaticContact CE2-CD2 3.87Å; F144-F814 HydrophobicContact CE2-CD2 3.87Å; F144-F814 AromaticContact CE2-CE2 3.89Å; F144-F814 HydrophobicContact CE2-CE2 3.89Å; F144-F814 HydrophobicContact CE2-CG 4.36Å; F144-F814 HydrophobicContact CE2-CZ 4.41Å; F144-F814 AromaticContact CG-CD1 3.71Å; F144-F814 HydrophobicContact CG-CD1 3.71Å; F144-F814 HydrophobicContact CG-CD2 4.15Å; F144-F814 AromaticContact CG-CE1 3.74Å; F144-F814 HydrophobicContact CG-CE1 3.74Å; F144-F814 HydrophobicContact CG-CE2 4.18Å; F144-F814 AromaticContact CG-CG 3.92Å; F144-F814 HydrophobicContact CG-CG 3.92Å; F144-F814 AromaticContact CG-CZ 3.99Å; F144-F814 HydrophobicContact CG-CZ 3.99Å; F144-F814 HydrophobicContact CZ-CB 4.3Å; F144-F814 AromaticContact CZ-CD2 3.8Å; F144-F814 HydrophobicContact CZ-CD2 3.8Å; F144-F814 HydrophobicContact CZ-CE2 4.31Å; F144-F814 HydrophobicContact CZ-CG 4.08Å; L154-F814 HydrophobicContact CB-CZ 4.19Å; L154-F814 HydrophobicContact CD1-CE1 4.17Å; L154-F814 HydrophobicContact CD1-CZ 3.7Å; P460-F814 HydrophobicContact CG-CD2 4.3Å; F797-F814 HydrophobicContact CB-CD1 3.68Å; F797-F814 HydrophobicContact CB-CE1 3.58Å; F797-F814 HydrophobicContact CB-CG 4.21Å; F797-F814 HydrophobicContact CB-CZ 4.03Å; F797-F814 HydrophobicContact CD1-CD1 4.38Å; F797-F814 AromaticContact CD1-CE1 3.54Å; F797-F814 HydrophobicContact CD1-CE1 3.54Å; F797-F814 AromaticContact CD1-CZ 3.97Å; F797-F814 HydrophobicContact CD1-CZ 3.97Å; F797-F814 HydrophobicContact CE1-CE1 4.45Å; F797-F814 HydrophobicContact CG-CD1 4.36Å; F797-F814 AromaticContact CG-CE1 3.74Å; F797-F814 HydrophobicContact CG-CE1 3.74Å; F797-F814 AromaticContact CG-CZ 3.97Å; F797-F814 HydrophobicContact CG-CZ 3.97Å; R812-F814 HydrophobicContact CB-CD2 4.18Å; R812-F814 HydrophobicContact CB-CE2 3.53Å; R812-F814 HydrophobicContact CB-CZ 4.1Å; R812-F814 HydrophobicContact CG-CE2 4.45Å
815	V	91.7	Very high	90.9	Very high	23 Å²	23	30.6 Å²	30.6	14%	0.139	16%	0.162	C	C	.	.			trans	-115.7	122.9	-174.8	-174.7	0	0	0	0	109.2	L813 R820 Y823	L813-V815 HydrophobicContact CD2-CG2 4.29Å; L813-V815 HydrophobicContact CG-CG2 4.05Å; V815-R820 HydrophobicContact CB-CG 4.03Å; V815-R820 HydrophobicContact CG1-CG 3.86Å; V815-R820 PolarHBondContact O-NE 2.9Å; V815-R820 VanDerWaalsContact O-NE 3.12Å; V815-Y823 HydrophobicContact CG1-CD2 4.13Å; V815-Y823 HydrophobicContact CG1-CE2 4.06Å
816	D	93.8	Very high	90.9	Very high	1 Å²	1	31 Å²	31	1%	0.005	17%	0.166	C	C	.	.			trans	-61.8	158.6	179.9	76.9	79.4	0	0	0	111.8	T132 Y135 L818 S819 R820	T132-D816 PolarHBondContact OG1-OD2 2.68Å; Y135-D816 HydrophobicContact CD1-CB 3.84Å; Y135-D816 HydrophobicContact CD2-CB 4.36Å; Y135-D816 HydrophobicContact CE1-CB 4.38Å; Y135-D816 HydrophobicContact CG-CB 3.83Å; D816-L818 VanDerWaalsContact C-N 3.29Å; D816-L818 PolarHBondContact O-N 3.05Å; D816-L818 WeakPolarHBondContact OD1-CA 3.2Å; D816-L818 VanDerWaalsContact OD1-CB 3.27Å; D816-L818 WeakPolarHBondContact OD1-CB 3.35Å; D816-L818 PolarHBondContact OD1-N 3.16Å; D816-S819 PolarHBondContact O-N 2.87Å; D816-S819 PolarHBondContact OD1-N 3.12Å; D816-S819 VanDerWaalsContact OD2-CB 3.29Å; D816-S819 WeakPolarHBondContact OD2-CB 3.32Å; D816-S819 PolarHBondContact OD2-OG 3.34Å; D816-R820 PolarHBondContact O-N 3.2Å
817	P	94.9	Very high	91.1	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.006	15%	0.149	C	C	.	.	H	α-helix	trans	-60.6	-30.1	-176.3	21.1	-32.9	0	0	0	115	A821 E858 M859 L862	P817-A821 WeakPolarHBondContact O-CB 3.24Å; P817-A821 PolarHBondContact O-N 2.96Å; P817-E858 HydrophobicContact CG-CG 4.46Å; P817-M859 HydrophobicContact CB-CG 4.31Å; P817-M859 HydrophobicContact CB-SD 3.82Å; P817-M859 HydrophobicContact CG-CG 4.37Å; P817-M859 HydrophobicContact CG-SD 3.52Å; P817-M859 VanDerWaalsContact CG-SD 3.52Å; P817-L862 HydrophobicContact CG-CD1 3.72Å
818	L	94	Very high	91.4	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-72	-45.1	176.8	-63.3	167.3	0	0	0	110.5	W120 F128 I131 D816 R820 A821 M822 W848 A851 M859	W120-L818 HydrophobicContact CZ2-CB 4.09Å; F128-L818 HydrophobicContact CB-CD1 4.05Å; F128-L818 HydrophobicContact CD1-CB 4.13Å; F128-L818 HydrophobicContact CD1-CD1 3.76Å; F128-L818 HydrophobicContact CD1-CD2 4.37Å; F128-L818 HydrophobicContact CD1-CG 4.33Å; F128-L818 HydrophobicContact CD2-CD1 4.28Å; F128-L818 HydrophobicContact CE1-CB 4.11Å; F128-L818 HydrophobicContact CE1-CD1 4.21Å; F128-L818 HydrophobicContact CE1-CD2 3.99Å; F128-L818 HydrophobicContact CE1-CG 4.35Å; F128-L818 HydrophobicContact CE2-CD2 4.39Å; F128-L818 HydrophobicContact CG-CD1 3.78Å; F128-L818 HydrophobicContact CZ-CD2 3.98Å; I131-L818 HydrophobicContact CB-CD1 3.6Å; I131-L818 HydrophobicContact CG1-CD1 4.19Å; I131-L818 HydrophobicContact CG2-CD1 3.56Å; I131-L818 HydrophobicContact CG2-CG 4.01Å; D816-L818 VanDerWaalsContact C-N 3.29Å; D816-L818 PolarHBondContact O-N 3.05Å; D816-L818 WeakPolarHBondContact OD1-CA 3.2Å; D816-L818 VanDerWaalsContact OD1-CB 3.27Å; D816-L818 WeakPolarHBondContact OD1-CB 3.35Å; D816-L818 PolarHBondContact OD1-N 3.16Å; L818-R820 VanDerWaalsContact C-N 3.35Å; L818-R820 PolarHBondContact O-N 3.47Å; L818-A821 PolarHBondContact O-N 2.84Å; L818-M822 WeakPolarHBondContact O-CB 3.23Å; L818-M822 PolarHBondContact O-N 3.3Å; L818-W848 HydrophobicContact CD1-CZ3 4.24Å; L818-W848 HydrophobicContact CD2-CD2 4.49Å; L818-W848 HydrophobicContact CD2-CE3 3.71Å; L818-W848 HydrophobicContact CD2-CZ3 4.04Å; L818-A851 HydrophobicContact CD2-CB 3.85Å; L818-M859 HydrophobicContact CD2-CE 4.04Å
819	S	91.8	Very high	91.4	Very high	2 Å²	2	23.6 Å²	23.6	1%	0.014	14%	0.142	C	C	.	.	H	α-helix	trans	-59.8	-44.2	173.4	-69.5	0	0	0	0	111.1	W120 D816 A821 M822 Y823	W120-S819 WeakPolarHBondContact CZ2-OG 3.2Å; D816-S819 PolarHBondContact O-N 2.87Å; D816-S819 PolarHBondContact OD1-N 3.12Å; D816-S819 VanDerWaalsContact OD2-CB 3.29Å; D816-S819 WeakPolarHBondContact OD2-CB 3.32Å; D816-S819 PolarHBondContact OD2-OG 3.34Å; S819-A821 VanDerWaalsContact C-N 3.34Å; S819-A821 PolarHBondContact O-N 3.33Å; S819-M822 PolarHBondContact O-N 3.36Å; S819-Y823 WeakPolarHBondContact O-CB 3.47Å; S819-Y823 WeakPolarHBondContact O-CD2 3.17Å; S819-Y823 PolarHBondContact O-N 2.97Å
820	R	91.5	Very high	91	Very high	73 Å²	73	24.8 Å²	24.8	28%	0.275	15%	0.145	S	C	.	.	H	α-helix	trans	-61.2	-38.7	175.2	-78.9	-174.6	-73.5	153.1	2.9	113.2	V815 D816 L818 S824 E858	V815-R820 HydrophobicContact CB-CG 4.03Å; V815-R820 HydrophobicContact CG1-CG 3.86Å; V815-R820 PolarHBondContact O-NE 2.9Å; V815-R820 VanDerWaalsContact O-NE 3.12Å; D816-R820 PolarHBondContact O-N 3.2Å; L818-R820 VanDerWaalsContact C-N 3.35Å; L818-R820 PolarHBondContact O-N 3.47Å; R820-S824 PolarHBondContact O-N 2.89Å; R820-E858 IonicContact CZ-OE2 3.75Å; R820-E858 IonicContact NH1-OE2 3.76Å; R820-E858 IonicContact NH2-OE1 3.74Å; R820-E858 PolarHBondContact NH2-OE1 3.03Å; R820-E858 VanDerWaalsContact NH2-OE1 3.07Å; R820-E858 IonicContact NH2-OE2 3.98Å; R820-E858 PolarHBondContact NH2-OE2 3.42Å
821	A	92.4	Very high	90.7	Very high	2 Å²	2	29.3 Å²	29.3	2%	0.017	17%	0.167	C	C	.	.	H	α-helix	trans	-67.7	-42.5	175.2	0	0	0	0	0	111.7	P817 L818 S819 Y823 S824 V847 L850 A851	P817-A821 WeakPolarHBondContact O-CB 3.24Å; P817-A821 PolarHBondContact O-N 2.96Å; L818-A821 PolarHBondContact O-N 2.84Å; S819-A821 VanDerWaalsContact C-N 3.34Å; S819-A821 PolarHBondContact O-N 3.33Å; A821-Y823 PolarHBondContact O-N 3.35Å; A821-S824 PolarHBondContact O-N 3.17Å; A821-V847 HydrophobicContact CB-CG1 4.03Å; A821-L850 HydrophobicContact CB-CB 4.22Å; A821-L850 HydrophobicContact CB-CD2 4.02Å; A821-L850 HydrophobicContact CB-CG 3.99Å; A821-L850 WeakPolarHBondContact O-CD2 3.38Å; A821-A851 HydrophobicContact CB-CB 3.9Å
822	M	88.9	Confident	90.5	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.005	17%	0.174	C	C	.	.	H	α-helix	trans	-65.2	-37.2	178	179.3	167.7	-75.7	0	0	113.1	W120 S522 L523 N526 L818 S819 S824 V847	W120-M822 HydrophobicContact CE3-CE 4.43Å; W120-M822 HydrophobicContact CH2-CE 4.13Å; W120-M822 HydrophobicContact CH2-SD 3.91Å; W120-M822 HydrophobicContact CZ3-CE 3.46Å; W120-M822 VanDerWaalsContact CZ3-CE 3.46Å; W120-M822 HydrophobicContact CZ3-SD 3.53Å; W120-M822 VanDerWaalsContact CZ3-SD 3.53Å; S522-M822 PolarHBondContact OG-O 3.48Å; L523-M822 HydrophobicContact CD1-SD 4.45Å; N526-M822 PolarHBondContact ND2-O 3.45Å; L818-M822 WeakPolarHBondContact O-CB 3.23Å; L818-M822 PolarHBondContact O-N 3.3Å; S819-M822 PolarHBondContact O-N 3.36Å; M822-S824 VanDerWaalsContact C-N 3.34Å; M822-V847 HydrophobicContact CB-CG1 4.15Å; M822-V847 HydrophobicContact CB-CG2 4.39Å; M822-V847 HydrophobicContact CE-CG2 4.22Å
823	Y	89.6	Confident	90.1	Very high	20 Å²	20	30.9 Å²	30.9	8%	0.078	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-2.6	-176.7	-55.8	-24.7	0	0	0	113.3	Q498 P499 R502 L523 V815 S819 A821 S825	Q498-Y823 HydrophobicContact CB-CD1 4.05Å; Q498-Y823 HydrophobicContact CB-CD2 4.43Å; Q498-Y823 HydrophobicContact CB-CE1 4.24Å; Q498-Y823 HydrophobicContact CB-CG 4.18Å; Q498-Y823 VanDerWaalsContact OE1-CA 3.29Å; P499-Y823 HydrophobicContact CG-CE2 3.79Å; R502-Y823 WeakPolarHBondContact CD-OH 3.23Å; L523-Y823 HydrophobicContact CD1-CD1 4.23Å; L523-Y823 HydrophobicContact CD1-CE1 4Å; V815-Y823 HydrophobicContact CG1-CD2 4.13Å; V815-Y823 HydrophobicContact CG1-CE2 4.06Å; S819-Y823 WeakPolarHBondContact O-CB 3.47Å; S819-Y823 WeakPolarHBondContact O-CD2 3.17Å; S819-Y823 PolarHBondContact O-N 2.97Å; A821-Y823 PolarHBondContact O-N 3.35Å; Y823-S825 PolarHBondContact O-N 3.44Å
824	S	86.6	Confident	89.6	Confident	11 Å²	11	33.2 Å²	33.2	8%	0.077	19%	0.186	C	C	.	.			trans	-66.3	126.1	-177.9	-164.6	0	0	0	0	110.8	S522 R820 A821 M822 D826 D829 K854	S522-S824 WeakPolarHBondContact CB-O 3.48Å; S522-S824 PolarHBondContact OG-O 3.44Å; S522-S824 VanDerWaalsContact OG-O 3.11Å; R820-S824 PolarHBondContact O-N 2.89Å; A821-S824 PolarHBondContact O-N 3.17Å; M822-S824 VanDerWaalsContact C-N 3.34Å; S824-D826 PolarHBondContact OG-N 2.94Å; S824-D829 WeakPolarHBondContact CB-OD2 3.23Å; S824-D829 PolarHBondContact OG-OD2 2.88Å; S824-K854 PolarHBondContact OG-NZ 2.68Å
825	S	78.8	Confident	89.5	Confident	73 Å²	73	38.1 Å²	38.1	51%	0.51	21%	0.209	S	C	.	.			trans	-104.2	7.8	169.4	64.2	0	0	0	0	111.9	Y823 G827	Y823-S825 PolarHBondContact O-N 3.44Å; S825-G827 PolarHBondContact O-N 3.18Å
826	D	84.2	Confident	89.5	Confident	86 Å²	86	38.8 Å²	38.8	46%	0.46	21%	0.21	S	C	.	.			trans	-62.6	126	175.8	-68.1	-30.3	0	0	0	108.9	S824 D829 F830 K854	S824-D826 PolarHBondContact OG-N 2.94Å; D826-D829 HydrophobicContact CB-CB 4.2Å; D826-D829 WeakPolarHBondContact O-CA 3.45Å; D826-D829 WeakPolarHBondContact O-CB 3.21Å; D826-D829 PolarHBondContact O-N 2.9Å; D826-F830 PolarHBondContact O-N 3.48Å; D826-K854 IonicContact OD2-NZ 3Å; D826-K854 PolarHBondContact OD2-NZ 2.89Å
827	G	83.7	Confident	89.3	Confident	45 Å²	45	44.4 Å²	44.4	46%	0.464	23%	0.231	S	C	.	.	H	α-helix	trans	-48.8	-46.9	-177.5	0	0	0	0	0	114.6	S825 D829 F830 E831	S825-G827 PolarHBondContact O-N 3.18Å; G827-D829 VanDerWaalsContact C-N 3.26Å; G827-D829 PolarHBondContact O-N 2.97Å; G827-F830 PolarHBondContact O-N 2.88Å; G827-E831 WeakPolarHBondContact O-CB 3.43Å; G827-E831 WeakPolarHBondContact O-CG 3.23Å; G827-E831 PolarHBondContact O-N 2.83Å
828	P	91.2	Very high	89	Confident	95 Å²	95	52.5 Å²	52.5	62%	0.617	27%	0.266	S	S	*	.	H	α-helix	trans	-62.6	-28.2	176.2	-25.1	35.4	0	0	0	114.9	F832	P828-F832 VanDerWaalsContact O-CB 3.26Å; P828-F832 WeakPolarHBondContact O-CB 3.47Å; P828-F832 PolarHBondContact O-N 3.41Å; P828-F832 VanDerWaalsContact O-N 3.14Å
829	D	90.7	Very high	89	Confident	14 Å²	14	57.2 Å²	57.2	8%	0.075	29%	0.288	C	S	.	.	H	α-helix	trans	-80.6	-42.1	178.6	-66.4	-15.6	0	0	0	111.1	S824 D826 G827 F832 V833 L850 K854	S824-D829 WeakPolarHBondContact CB-OD2 3.23Å; S824-D829 PolarHBondContact OG-OD2 2.88Å; D826-D829 HydrophobicContact CB-CB 4.2Å; D826-D829 WeakPolarHBondContact O-CA 3.45Å; D826-D829 WeakPolarHBondContact O-CB 3.21Å; D826-D829 PolarHBondContact O-N 2.9Å; G827-D829 VanDerWaalsContact C-N 3.26Å; G827-D829 PolarHBondContact O-N 2.97Å; D829-F832 WeakPolarHBondContact O-CB 3.33Å; D829-F832 PolarHBondContact O-N 3.32Å; D829-V833 WeakPolarHBondContact O-CG2 3.41Å; D829-V833 PolarHBondContact O-N 2.85Å; D829-L850 HydrophobicContact CB-CD1 4.02Å; D829-L850 HydrophobicContact CB-CD2 3.87Å; D829-K854 VanDerWaalsContact OD2-CD 3.25Å; D829-K854 WeakPolarHBondContact OD2-CD 3.1Å; D829-K854 VanDerWaalsContact OD2-CE 3.3Å; D829-K854 WeakPolarHBondContact OD2-CE 3.04Å; D829-K854 IonicContact OD2-NZ 3.24Å; D829-K854 PolarHBondContact OD2-NZ 3.1Å
830	F	85.1	Confident	88.9	Confident	43 Å²	43	60.3 Å²	60.3	19%	0.189	32%	0.32	C	S	.	.	H	α-helix	trans	-58.3	-50.5	174.1	-178.2	-95.3	0	0	0	110.7	K521 E525 D826 G827 F832 V833 Q834	K521-F830 HydrophobicContact CD-CE2 4.49Å; K521-F830 HydrophobicContact CG-CE2 4.41Å; E525-F830 WeakPolarHBondContact OE2-CE2 3.39Å; E525-F830 VanDerWaalsContact OE2-CZ 3.23Å; E525-F830 WeakPolarHBondContact OE2-CZ 3.46Å; D826-F830 PolarHBondContact O-N 3.48Å; G827-F830 PolarHBondContact O-N 2.88Å; F830-F832 VanDerWaalsContact C-N 3.29Å; F830-F832 PolarHBondContact O-N 3.47Å; F830-V833 PolarHBondContact O-N 3.06Å; F830-Q834 HydrophobicContact CD1-CG 4.11Å; F830-Q834 HydrophobicContact CE1-CG 3.71Å; F830-Q834 HydrophobicContact CE2-CG 4.43Å; F830-Q834 HydrophobicContact CZ-CG 3.89Å; F830-Q834 WeakPolarHBondContact O-CB 3.42Å; F830-Q834 WeakPolarHBondContact O-CG 3.24Å; F830-Q834 PolarHBondContact O-N 3.47Å
831	E	89.2	Confident	88.8	Confident	116 Å²	116	58.6 Å²	58.6	54%	0.542	32%	0.316	S	S	.	.	H	α-helix	trans	-61.1	-37.6	176	-73.6	-65.9	170.8	0	0	112.1	G827 Q834 Q835	G827-E831 WeakPolarHBondContact O-CB 3.43Å; G827-E831 WeakPolarHBondContact O-CG 3.23Å; G827-E831 PolarHBondContact O-N 2.83Å; E831-Q834 PolarHBondContact O-N 2.79Å; E831-Q835 VanDerWaalsContact O-CB 3.24Å; E831-Q835 WeakPolarHBondContact O-CB 3.41Å; E831-Q835 PolarHBondContact O-N 2.8Å
832	F	92.9	Very high	88.6	Confident	32 Å²	32	60 Å²	60	14%	0.14	33%	0.326	C	S	.	.	H	α-helix	trans	-62.4	-47.4	175.5	179	-90	0	0	0	111.9	P828 D829 F830 Q835 K836 Q849 L850 K853	P828-F832 VanDerWaalsContact O-CB 3.26Å; P828-F832 WeakPolarHBondContact O-CB 3.47Å; P828-F832 PolarHBondContact O-N 3.41Å; P828-F832 VanDerWaalsContact O-N 3.14Å; D829-F832 WeakPolarHBondContact O-CB 3.33Å; D829-F832 PolarHBondContact O-N 3.32Å; F830-F832 VanDerWaalsContact C-N 3.29Å; F830-F832 PolarHBondContact O-N 3.47Å; F832-Q835 PolarHBondContact O-N 3.11Å; F832-K836 HydrophobicContact CD1-CG 4.39Å; F832-K836 HydrophobicContact CE1-CG 4Å; F832-K836 HydrophobicContact CZ-CG 4.11Å; F832-K836 WeakPolarHBondContact O-CG 3.26Å; F832-K836 PolarHBondContact O-N 3.07Å; F832-Q849 HydrophobicContact CE1-CB 4.06Å; F832-Q849 HydrophobicContact CZ-CB 4.05Å; F832-L850 HydrophobicContact CD1-CB 3.9Å; F832-L850 HydrophobicContact CD1-CD1 3.84Å; F832-L850 HydrophobicContact CD1-CG 4.39Å; F832-L850 HydrophobicContact CE1-CB 3.9Å; F832-L850 HydrophobicContact CE1-CD1 4.38Å; F832-L850 HydrophobicContact CG-CD1 4.35Å; F832-K853 HydrophobicContact CD2-CD 4.01Å; F832-K853 HydrophobicContact CE2-CD 3.91Å; F832-K853 HydrophobicContact CG-CD 4.44Å; F832-K853 HydrophobicContact CZ-CD 4.29Å
833	V	88.6	Confident	88.4	Confident	5 Å²	5	61.1 Å²	61.1	3%	0.03	33%	0.332	C	S	.	.	H	α-helix	trans	-63	-45.4	177.5	172.4	0	0	0	0	110.3	D829 F830 Q835 K836 R837 I843 A846 L850	D829-V833 WeakPolarHBondContact O-CG2 3.41Å; D829-V833 PolarHBondContact O-N 2.85Å; F830-V833 PolarHBondContact O-N 3.06Å; V833-Q835 VanDerWaalsContact C-N 3.35Å; V833-Q835 PolarHBondContact O-N 3.23Å; V833-K836 PolarHBondContact O-N 2.83Å; V833-R837 HydrophobicContact CG1-CG 4.23Å; V833-R837 WeakPolarHBondContact O-CB 3.22Å; V833-R837 WeakPolarHBondContact O-CG 3.37Å; V833-R837 PolarHBondContact O-N 2.96Å; V833-I843 HydrophobicContact CG1-CD1 3.76Å; V833-A846 HydrophobicContact CG1-CB 4.11Å; V833-L850 HydrophobicContact CG2-CB 4.48Å; V833-L850 HydrophobicContact CG2-CD2 3.73Å
834	Q	87.2	Confident	88.4	Confident	50 Å²	50	61.4 Å²	61.4	23%	0.234	33%	0.334	C	S	.	.	H	α-helix	trans	-61.4	-41.5	177.9	-73.5	-63	-18.6	0	0	112.5	E525 F830 E831 R837 K838	E525-Q834 PolarHBondContact OE2-NE2 3.44Å; F830-Q834 HydrophobicContact CD1-CG 4.11Å; F830-Q834 HydrophobicContact CE1-CG 3.71Å; F830-Q834 HydrophobicContact CE2-CG 4.43Å; F830-Q834 HydrophobicContact CZ-CG 3.89Å; F830-Q834 WeakPolarHBondContact O-CB 3.42Å; F830-Q834 WeakPolarHBondContact O-CG 3.24Å; F830-Q834 PolarHBondContact O-N 3.47Å; E831-Q834 PolarHBondContact O-N 2.79Å; Q834-R837 PolarHBondContact O-N 3.25Å; Q834-K838 WeakPolarHBondContact O-CG 3.43Å; Q834-K838 PolarHBondContact O-N 2.91Å
835	Q	92.6	Very high	88.6	Confident	108 Å²	108	64.6 Å²	64.6	51%	0.505	35%	0.347	S	S	.	.	H	α-helix	trans	-61.5	-46.3	174.8	-176.6	178.5	-3.8	0	0	111.2	E831 F832 V833 R837 K838 E839	E831-Q835 VanDerWaalsContact O-CB 3.24Å; E831-Q835 WeakPolarHBondContact O-CB 3.41Å; E831-Q835 PolarHBondContact O-N 2.8Å; F832-Q835 PolarHBondContact O-N 3.11Å; V833-Q835 VanDerWaalsContact C-N 3.35Å; V833-Q835 PolarHBondContact O-N 3.23Å; Q835-R837 VanDerWaalsContact C-N 3.32Å; Q835-R837 PolarHBondContact O-N 2.91Å; Q835-K838 WeakPolarHBondContact O-CB 3.41Å; Q835-K838 PolarHBondContact O-N 2.97Å; Q835-E839 PolarHBondContact NE2-OE1 2.82Å; Q835-E839 WeakPolarHBondContact O-CG 3.46Å; Q835-E839 PolarHBondContact O-N 3.25Å
836	K	92.5	Very high	89.2	Confident	37 Å²	37	61.1 Å²	61.1	16%	0.161	32%	0.323	C	S	.	.	H	α-helix	trans	-64.2	-35.4	176.6	-66.8	-51.1	179.5	-174.6	0	113.1	F832 V833 E839 G840 L841 A846 Q849	F832-K836 HydrophobicContact CD1-CG 4.39Å; F832-K836 HydrophobicContact CE1-CG 4Å; F832-K836 HydrophobicContact CZ-CG 4.11Å; F832-K836 WeakPolarHBondContact O-CG 3.26Å; F832-K836 PolarHBondContact O-N 3.07Å; V833-K836 PolarHBondContact O-N 2.83Å; K836-E839 WeakPolarHBondContact CD-OE2 3.33Å; K836-E839 IonicContact NZ-OE1 3.64Å; K836-E839 IonicContact NZ-OE2 2.73Å; K836-E839 PolarHBondContact NZ-OE2 3.42Å; K836-E839 WeakPolarHBondContact O-CB 3.49Å; K836-E839 PolarHBondContact O-N 2.64Å; K836-G840 PolarHBondContact O-N 3.37Å; K836-L841 HydrophobicContact CB-CD2 4.44Å; K836-L841 HydrophobicContact CD-CD2 4.49Å; K836-L841 WeakPolarHBondContact O-CB 3.48Å; K836-L841 PolarHBondContact O-N 3.03Å; K836-L841 VanDerWaalsContact O-N 3.14Å; K836-A846 HydrophobicContact CB-CB 3.77Å; K836-Q849 VanDerWaalsContact CE-OE1 3.27Å
837	R	88.1	Confident	89.6	Confident	118 Å²	118	57 Å²	57	45%	0.445	30%	0.301	S	S	.	.	H	α-helix	trans	-63.8	-41.2	172.9	-68.1	-79.9	-72	160.7	-4.6	111.7	V833 Q834 Q835 E839 G840	V833-R837 HydrophobicContact CG1-CG 4.23Å; V833-R837 WeakPolarHBondContact O-CB 3.22Å; V833-R837 WeakPolarHBondContact O-CG 3.37Å; V833-R837 PolarHBondContact O-N 2.96Å; Q834-R837 PolarHBondContact O-N 3.25Å; Q835-R837 VanDerWaalsContact C-N 3.32Å; Q835-R837 PolarHBondContact O-N 2.91Å; R837-E839 VanDerWaalsContact C-N 3.31Å; R837-E839 PolarHBondContact O-N 2.88Å; R837-G840 PolarHBondContact O-N 3.02Å; R837-G840 VanDerWaalsContact O-N 3.1Å
838	K	89.8	Confident	90.1	Very high	172 Å²	172	55.9 Å²	55.9	75%	0.748	28%	0.283	S	S	*	.	H	α-helix	trans	-65.5	-32	173.6	-72.1	172.7	-177.6	170.7	0	112.8	Q834 Q835 G840	Q834-K838 WeakPolarHBondContact O-CG 3.43Å; Q834-K838 PolarHBondContact O-N 2.91Å; Q835-K838 WeakPolarHBondContact O-CB 3.41Å; Q835-K838 PolarHBondContact O-N 2.97Å; K838-G840 PolarHBondContact O-N 3.33Å
839	E	93.7	Very high	90.3	Very high	99 Å²	99	55.1 Å²	55.1	46%	0.463	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-2	172.7	-69.6	170.3	-163.5	0	0	113.2	Q835 K836 R837 L841	Q835-E839 PolarHBondContact NE2-OE1 2.82Å; Q835-E839 WeakPolarHBondContact O-CG 3.46Å; Q835-E839 PolarHBondContact O-N 3.25Å; K836-E839 WeakPolarHBondContact CD-OE2 3.33Å; K836-E839 IonicContact NZ-OE1 3.64Å; K836-E839 IonicContact NZ-OE2 2.73Å; K836-E839 PolarHBondContact NZ-OE2 3.42Å; K836-E839 WeakPolarHBondContact O-CB 3.49Å; K836-E839 PolarHBondContact O-N 2.64Å; R837-E839 VanDerWaalsContact C-N 3.31Å; R837-E839 PolarHBondContact O-N 2.88Å; E839-L841 HydrophobicContact CB-CD1 3.99Å
840	G	89.5	Confident	90.5	Very high	67 Å²	67	54.5 Å²	54.5	69%	0.691	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.3	5.3	175.4	0	0	0	0	0	115	K836 R837 K838	K836-G840 PolarHBondContact O-N 3.37Å; R837-G840 PolarHBondContact O-N 3.02Å; R837-G840 VanDerWaalsContact O-N 3.1Å; K838-G840 PolarHBondContact O-N 3.33Å
841	L	89.1	Confident	91	Very high	36 Å²	36	52.5 Å²	52.5	19%	0.188	26%	0.259	C	S	.	.			trans	-73.1	146.9	177.7	-77.9	73.2	0	0	0	111.4	K836 E839 E845 Q849	K836-L841 HydrophobicContact CB-CD2 4.44Å; K836-L841 HydrophobicContact CD-CD2 4.49Å; K836-L841 WeakPolarHBondContact O-CB 3.48Å; K836-L841 PolarHBondContact O-N 3.03Å; K836-L841 VanDerWaalsContact O-N 3.14Å; E839-L841 HydrophobicContact CB-CD1 3.99Å; L841-E845 HydrophobicContact CB-CB 4.19Å; L841-E845 HydrophobicContact CD2-CB 4.06Å; L841-E845 HydrophobicContact CG-CB 4.39Å; L841-Q849 VanDerWaalsContact CD2-NE2 3.31Å
842	S	87.9	Confident	91.4	Very high	31 Å²	31	51 Å²	51	22%	0.217	25%	0.249	C	C	.	.			trans	-63.6	158.8	168.3	70.5	0	0	0	0	110.7	H844 E845 A846	S842-H844 VanDerWaalsContact C-N 3.28Å; S842-H844 PolarHBondContact O-N 2.86Å; S842-E845 VanDerWaalsContact CB-OE2 3.31Å; S842-E845 WeakPolarHBondContact CB-OE2 3.17Å; S842-E845 PolarHBondContact N-OE2 3.42Å; S842-E845 PolarHBondContact O-N 3.47Å; S842-E845 VanDerWaalsContact OG-CD 3.23Å; S842-E845 WeakPolarHBondContact OG-CG 3.4Å; S842-E845 PolarHBondContact OG-N 3.07Å; S842-E845 PolarHBondContact OG-OE2 2.86Å; S842-A846 PolarHBondContact O-N 2.79Å
843	I	85.6	Confident	91.5	Very high	26 Å²	26	55.5 Å²	55.5	13%	0.133	27%	0.268	C	S	.	.	H	α-helix	trans	-59.9	-40.8	179.1	-178.9	57.5	0	0	0	112.1	N526 V833 E845 A846 V847	N526-I843 HydrophobicContact CB-CD1 3.97Å; N526-I843 HydrophobicContact CB-CG1 3.89Å; N526-I843 WeakPolarHBondContact OD1-CD1 3.26Å; V833-I843 HydrophobicContact CG1-CD1 3.76Å; I843-E845 VanDerWaalsContact C-N 3.33Å; I843-E845 PolarHBondContact O-N 3.2Å; I843-A846 PolarHBondContact O-N 3.25Å; I843-V847 HydrophobicContact CD1-CG2 4.05Å; I843-V847 HydrophobicContact CG1-CG2 4.32Å; I843-V847 WeakPolarHBondContact O-CG2 3.41Å; I843-V847 PolarHBondContact O-N 2.87Å
844	H	89.2	Confident	91.7	Very high	26 Å²	26	59.6 Å²	59.6	12%	0.12	29%	0.285	C	S	.	.	H	α-helix	trans	-66.1	-35.6	178.4	-67.1	155.9	0	0	0	112.2	S121 Q124 F128 S842 W848	S121-H844 PolarHBondContact O-CE1 3.46Å; Q124-H844 HydrophobicContact CB-CB 3.63Å; Q124-H844 HydrophobicContact CG-CB 3.69Å; F128-H844 HydrophobicContact CE2-CB 3.86Å; F128-H844 HydrophobicContact CZ-CB 3.82Å; F128-H844 VanDerWaalsContact CZ-O 3.24Å; F128-H844 WeakPolarHBondContact CZ-O 3.25Å; S842-H844 VanDerWaalsContact C-N 3.28Å; S842-H844 PolarHBondContact O-N 2.86Å; H844-W848 WeakPolarHBondContact O-CB 3.35Å; H844-W848 PolarHBondContact O-N 2.87Å
845	E	91.5	Very high	91.9	Very high	78 Å²	78	57.9 Å²	57.9	36%	0.364	28%	0.279	S	S	.	.	H	α-helix	trans	-69.4	-37.7	175	-69	165	134.2	0	0	112.3	L841 S842 I843 W848 Q849	L841-E845 HydrophobicContact CB-CB 4.19Å; L841-E845 HydrophobicContact CD2-CB 4.06Å; L841-E845 HydrophobicContact CG-CB 4.39Å; S842-E845 VanDerWaalsContact CB-OE2 3.31Å; S842-E845 WeakPolarHBondContact CB-OE2 3.17Å; S842-E845 PolarHBondContact N-OE2 3.42Å; S842-E845 PolarHBondContact O-N 3.47Å; S842-E845 VanDerWaalsContact OG-CD 3.23Å; S842-E845 WeakPolarHBondContact OG-CG 3.4Å; S842-E845 PolarHBondContact OG-N 3.07Å; S842-E845 PolarHBondContact OG-OE2 2.86Å; I843-E845 VanDerWaalsContact C-N 3.33Å; I843-E845 PolarHBondContact O-N 3.2Å; E845-W848 WeakPolarHBondContact O-CB 3.39Å; E845-W848 PolarHBondContact O-N 2.87Å; E845-Q849 WeakPolarHBondContact O-CG 3.29Å; E845-Q849 PolarHBondContact O-N 3.49Å
846	A	91.6	Very high	92	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-63.8	-47.5	174.7	0	0	0	0	0	111.6	V833 K836 S842 I843 W848 Q849 L850	V833-A846 HydrophobicContact CG1-CB 4.11Å; K836-A846 HydrophobicContact CB-CB 3.77Å; S842-A846 PolarHBondContact O-N 2.79Å; I843-A846 PolarHBondContact O-N 3.25Å; A846-W848 VanDerWaalsContact C-N 3.3Å; A846-W848 PolarHBondContact O-N 2.87Å; A846-Q849 PolarHBondContact O-N 3.24Å; A846-L850 WeakPolarHBondContact O-CB 3.37Å; A846-L850 PolarHBondContact O-N 3.32Å
847	V	92.1	Very high	92.1	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-61.3	-40.6	174.7	170.5	0	0	0	0	110.9	F128 A821 M822 I843 L850 A851	F128-V847 HydrophobicContact CE1-CB 4.48Å; F128-V847 HydrophobicContact CE1-CG1 3.94Å; F128-V847 HydrophobicContact CZ-CB 4.32Å; F128-V847 HydrophobicContact CZ-CG1 4.14Å; A821-V847 HydrophobicContact CB-CG1 4.03Å; M822-V847 HydrophobicContact CB-CG1 4.15Å; M822-V847 HydrophobicContact CB-CG2 4.39Å; M822-V847 HydrophobicContact CE-CG2 4.22Å; I843-V847 HydrophobicContact CD1-CG2 4.05Å; I843-V847 HydrophobicContact CG1-CG2 4.32Å; I843-V847 WeakPolarHBondContact O-CG2 3.41Å; I843-V847 PolarHBondContact O-N 2.87Å; V847-L850 PolarHBondContact O-N 3.46Å; V847-A851 WeakPolarHBondContact O-CB 3.31Å; V847-A851 PolarHBondContact O-N 3.5Å
848	W	93.8	Very high	92.4	Very high	21 Å²	21	52.8 Å²	52.8	8%	0.08	28%	0.275	C	S	.	.	H	α-helix	trans	-58.4	-50.6	176.3	-177.8	-86.3	0	0	0	111.6	R127 F128 I131 L818 H844 E845 A846 L850 A851 W852 M859 E863	R127-W848 HydrophobicContact CG-CE3 4.31Å; R127-W848 HydrophobicContact CG-CH2 3.97Å; R127-W848 HydrophobicContact CG-CZ3 3.65Å; F128-W848 HydrophobicContact CD2-CE3 4.16Å; F128-W848 HydrophobicContact CE2-CB 4.35Å; F128-W848 AromaticContact CE2-CE3 3.76Å; F128-W848 HydrophobicContact CE2-CE3 3.76Å; F128-W848 HydrophobicContact CZ-CB 4.4Å; F128-W848 HydrophobicContact CZ-CE3 4.43Å; I131-W848 HydrophobicContact CD1-CH2 4.05Å; I131-W848 HydrophobicContact CG1-CH2 3.75Å; I131-W848 HydrophobicContact CG1-CZ3 3.82Å; L818-W848 HydrophobicContact CD1-CZ3 4.24Å; L818-W848 HydrophobicContact CD2-CD2 4.49Å; L818-W848 HydrophobicContact CD2-CE3 3.71Å; L818-W848 HydrophobicContact CD2-CZ3 4.04Å; H844-W848 WeakPolarHBondContact O-CB 3.35Å; H844-W848 PolarHBondContact O-N 2.87Å; E845-W848 WeakPolarHBondContact O-CB 3.39Å; E845-W848 PolarHBondContact O-N 2.87Å; A846-W848 VanDerWaalsContact C-N 3.3Å; A846-W848 PolarHBondContact O-N 2.87Å; W848-L850 VanDerWaalsContact C-N 3.31Å; W848-L850 PolarHBondContact O-N 2.92Å; W848-A851 PolarHBondContact O-N 3.27Å; W848-W852 AromaticContact CD1-CD1 3.78Å; W848-W852 AromaticContact CE2-CD1 3.66Å; W848-W852 AromaticContact CE2-NE1 3.33Å; W848-W852 VanDerWaalsContact CE2-NE1 3.33Å; W848-W852 AromaticContact CZ2-NE1 3.26Å; W848-W852 VanDerWaalsContact CZ2-NE1 3.26Å; W848-W852 AromaticContact NE1-CD1 3.25Å; W848-W852 AromaticContact NE1-NE1 3.19Å; W848-W852 VanDerWaalsContact NE1-NE1 3.19Å; W848-W852 PolarHBondContact O-N 3.07Å; W848-W852 VanDerWaalsContact O-N 3.16Å; W848-M859 HydrophobicContact CD2-CE 4.47Å; W848-M859 HydrophobicContact CE3-CE 4.35Å; W848-M859 HydrophobicContact CH2-CE 3.61Å; W848-M859 HydrophobicContact CZ2-CE 3.69Å; W848-M859 HydrophobicContact CZ3-CE 3.97Å; W848-E863 WeakPolarHBondContact CZ2-OE1 3.44Å
849	Q	95.5	Very high	92.7	Very high	79 Å²	79	44.6 Å²	44.6	37%	0.369	24%	0.239	S	C	.	.	H	α-helix	trans	-64.5	-36.5	177.7	-70.4	-171.9	18	0	0	112.2	F832 K836 L841 E845 A846 W852 K853	F832-Q849 HydrophobicContact CE1-CB 4.06Å; F832-Q849 HydrophobicContact CZ-CB 4.05Å; K836-Q849 VanDerWaalsContact CE-OE1 3.27Å; L841-Q849 VanDerWaalsContact CD2-NE2 3.31Å; E845-Q849 WeakPolarHBondContact O-CG 3.29Å; E845-Q849 PolarHBondContact O-N 3.49Å; A846-Q849 PolarHBondContact O-N 3.24Å; Q849-W852 PolarHBondContact O-N 2.63Å; Q849-K853 WeakPolarHBondContact O-CB 3.34Å; Q849-K853 PolarHBondContact O-N 2.89Å
850	L	95.2	Very high	92.8	Very high	1 Å²	1	42 Å²	42	1%	0.005	24%	0.235	C	C	.	.	H	α-helix	trans	-65.3	-42.1	176	-179.8	62	0	0	0	111.6	A821 D829 F832 V833 A846 V847 W848 W852 K853 K854	A821-L850 HydrophobicContact CB-CB 4.22Å; A821-L850 HydrophobicContact CB-CD2 4.02Å; A821-L850 HydrophobicContact CB-CG 3.99Å; A821-L850 WeakPolarHBondContact O-CD2 3.38Å; D829-L850 HydrophobicContact CB-CD1 4.02Å; D829-L850 HydrophobicContact CB-CD2 3.87Å; F832-L850 HydrophobicContact CD1-CB 3.9Å; F832-L850 HydrophobicContact CD1-CD1 3.84Å; F832-L850 HydrophobicContact CD1-CG 4.39Å; F832-L850 HydrophobicContact CE1-CB 3.9Å; F832-L850 HydrophobicContact CE1-CD1 4.38Å; F832-L850 HydrophobicContact CG-CD1 4.35Å; V833-L850 HydrophobicContact CG2-CB 4.48Å; V833-L850 HydrophobicContact CG2-CD2 3.73Å; A846-L850 WeakPolarHBondContact O-CB 3.37Å; A846-L850 PolarHBondContact O-N 3.32Å; V847-L850 PolarHBondContact O-N 3.46Å; W848-L850 VanDerWaalsContact C-N 3.31Å; W848-L850 PolarHBondContact O-N 2.92Å; L850-W852 VanDerWaalsContact C-N 3.3Å; L850-W852 PolarHBondContact O-N 3.46Å; L850-K853 HydrophobicContact CD1-CD 4.48Å; L850-K853 WeakPolarHBondContact O-CB 3.27Å; L850-K853 PolarHBondContact O-N 3.41Å; L850-K853 VanDerWaalsContact O-N 3.11Å; L850-K854 HydrophobicContact CD1-CD 4.17Å; L850-K854 HydrophobicContact CD1-CG 4.02Å; L850-K854 HydrophobicContact CG-CD 4.32Å; L850-K854 HydrophobicContact CG-CG 4.41Å; L850-K854 PolarHBondContact O-N 2.89Å
851	A	95.6	Very high	93	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-60.1	-41	176.2	0	0	0	0	0	111.6	L818 A821 V847 W848 K854 S855 M859	L818-A851 HydrophobicContact CD2-CB 3.85Å; A821-A851 HydrophobicContact CB-CB 3.9Å; V847-A851 WeakPolarHBondContact O-CB 3.31Å; V847-A851 PolarHBondContact O-N 3.5Å; W848-A851 PolarHBondContact O-N 3.27Å; A851-K854 PolarHBondContact O-N 3.13Å; A851-S855 CarbonylContact O-C 3.59Å; A851-S855 WeakPolarHBondContact O-CA 3.35Å; A851-S855 WeakPolarHBondContact O-CB 3.48Å; A851-S855 PolarHBondContact O-N 3.04Å; A851-M859 HydrophobicContact CB-CE 4.29Å; A851-M859 HydrophobicContact CB-CG 4.34Å; A851-M859 HydrophobicContact CB-SD 4.08Å
852	W	96.8	Very high	93.4	Very high	86 Å²	86	39.4 Å²	39.4	33%	0.326	21%	0.209	S	C	.	.	H	α-helix	trans	-64.6	-39.5	172.3	-87.3	94.4	0	0	0	113.3	W848 Q849 L850 G856 M859 A860 E863	W848-W852 AromaticContact CD1-CD1 3.78Å; W848-W852 AromaticContact CE2-CD1 3.66Å; W848-W852 AromaticContact CE2-NE1 3.33Å; W848-W852 VanDerWaalsContact CE2-NE1 3.33Å; W848-W852 AromaticContact CZ2-NE1 3.26Å; W848-W852 VanDerWaalsContact CZ2-NE1 3.26Å; W848-W852 AromaticContact NE1-CD1 3.25Å; W848-W852 AromaticContact NE1-NE1 3.19Å; W848-W852 VanDerWaalsContact NE1-NE1 3.19Å; W848-W852 PolarHBondContact O-N 3.07Å; W848-W852 VanDerWaalsContact O-N 3.16Å; Q849-W852 PolarHBondContact O-N 2.63Å; L850-W852 VanDerWaalsContact C-N 3.3Å; L850-W852 PolarHBondContact O-N 3.46Å; W852-G856 WeakPolarHBondContact O-CA 3.42Å; W852-G856 PolarHBondContact O-N 3.23Å; W852-M859 HydrophobicContact CD2-CB 3.86Å; W852-M859 HydrophobicContact CD2-CG 4.49Å; W852-M859 HydrophobicContact CE3-CB 4.11Å; W852-M859 HydrophobicContact CG-CB 4.37Å; W852-M859 HydrophobicContact CH2-CB 4.26Å; W852-M859 HydrophobicContact CZ2-CB 3.98Å; W852-M859 HydrophobicContact CZ3-CB 4.31Å; W852-A860 HydrophobicContact CH2-CB 3.81Å; W852-A860 HydrophobicContact CZ3-CB 3.93Å; W852-E863 HydrophobicContact CZ2-CG 4.36Å; W852-E863 WeakPolarHBondContact CZ2-OE2 3.43Å
853	K	95.7	Very high	93.7	Very high	126 Å²	126	40.4 Å²	40.4	55%	0.548	21%	0.21	S	C	.	.	H	α-helix	trans	-64.9	-42.2	176.9	-175.3	-176.2	175.7	-168.6	0	112.1	F832 Q849 L850	F832-K853 HydrophobicContact CD2-CD 4.01Å; F832-K853 HydrophobicContact CE2-CD 3.91Å; F832-K853 HydrophobicContact CG-CD 4.44Å; F832-K853 HydrophobicContact CZ-CD 4.29Å; Q849-K853 WeakPolarHBondContact O-CB 3.34Å; Q849-K853 PolarHBondContact O-N 2.89Å; L850-K853 HydrophobicContact CD1-CD 4.48Å; L850-K853 WeakPolarHBondContact O-CB 3.27Å; L850-K853 PolarHBondContact O-N 3.41Å; L850-K853 VanDerWaalsContact O-N 3.11Å
854	K	92.2	Very high	94	Very high	91 Å²	91	41.8 Å²	41.8	40%	0.396	23%	0.225	S	C	.	.	H	α-helix	trans	-84.6	-35	-177.5	-67.3	-167.6	77.7	158.2	0	113.9	S824 D826 D829 L850 A851	S824-K854 PolarHBondContact OG-NZ 2.68Å; D826-K854 IonicContact OD2-NZ 3Å; D826-K854 PolarHBondContact OD2-NZ 2.89Å; D829-K854 VanDerWaalsContact OD2-CD 3.25Å; D829-K854 WeakPolarHBondContact OD2-CD 3.1Å; D829-K854 VanDerWaalsContact OD2-CE 3.3Å; D829-K854 WeakPolarHBondContact OD2-CE 3.04Å; D829-K854 IonicContact OD2-NZ 3.24Å; D829-K854 PolarHBondContact OD2-NZ 3.1Å; L850-K854 HydrophobicContact CD1-CD 4.17Å; L850-K854 HydrophobicContact CD1-CG 4.02Å; L850-K854 HydrophobicContact CG-CD 4.32Å; L850-K854 HydrophobicContact CG-CG 4.41Å; L850-K854 PolarHBondContact O-N 2.89Å; A851-K854 PolarHBondContact O-N 3.13Å
855	S	93.1	Very high	94.1	Very high	14 Å²	14	42.1 Å²	42.1	10%	0.098	23%	0.225	C	C	.	.	H	α-helix	trans	-135.4	33.5	-166.7	-55.5	0	0	0	0	111.7	A851 E858 M859	A851-S855 CarbonylContact O-C 3.59Å; A851-S855 WeakPolarHBondContact O-CA 3.35Å; A851-S855 WeakPolarHBondContact O-CB 3.48Å; A851-S855 PolarHBondContact O-N 3.04Å; S855-E858 WeakPolarHBondContact O-CA 3.44Å; S855-E858 WeakPolarHBondContact O-CB 3.45Å; S855-E858 PolarHBondContact O-N 2.99Å; S855-M859 PolarHBondContact O-N 3.32Å
856	G	94	Very high	94.1	Very high	16 Å²	16	39.2 Å²	39.2	17%	0.165	21%	0.212	C	C	.	.	H	α-helix	trans	-47.4	-50.2	-176.4	0	0	0	0	0	115.4	W852 E858 M859 A860	W852-G856 WeakPolarHBondContact O-CA 3.42Å; W852-G856 PolarHBondContact O-N 3.23Å; G856-E858 VanDerWaalsContact C-N 3.3Å; G856-E858 PolarHBondContact O-N 3.22Å; G856-M859 PolarHBondContact O-N 3.22Å; G856-A860 WeakPolarHBondContact O-CB 3.35Å; G856-A860 PolarHBondContact O-N 3.06Å
857	P	93.7	Very high	93.9	Very high	114 Å²	114	45.2 Å²	45.2	74%	0.74	24%	0.24	S	C	*	.	H	α-helix	trans	-60.5	-37.8	177.4	-25.3	35	0	0	0	113.5	S861	P857-S861 WeakPolarHBondContact O-CB 3.45Å; P857-S861 PolarHBondContact O-N 3.36Å; P857-S861 VanDerWaalsContact O-N 3.11Å
858	E	94.4	Very high	93.4	Very high	26 Å²	26	49.7 Å²	49.7	12%	0.121	26%	0.261	C	S	.	.	H	α-helix	trans	-71.8	-46.1	177.9	-172.3	179.7	174.2	0	0	111.1	Y135 P817 R820 S855 G856 A860 S861 L862	Y135-E858 VanDerWaalsContact CE2-OE1 3.23Å; Y135-E858 WeakPolarHBondContact CE2-OE1 3.46Å; P817-E858 HydrophobicContact CG-CG 4.46Å; R820-E858 IonicContact CZ-OE2 3.75Å; R820-E858 IonicContact NH1-OE2 3.76Å; R820-E858 IonicContact NH2-OE1 3.74Å; R820-E858 PolarHBondContact NH2-OE1 3.03Å; R820-E858 VanDerWaalsContact NH2-OE1 3.07Å; R820-E858 IonicContact NH2-OE2 3.98Å; R820-E858 PolarHBondContact NH2-OE2 3.42Å; S855-E858 WeakPolarHBondContact O-CA 3.44Å; S855-E858 WeakPolarHBondContact O-CB 3.45Å; S855-E858 PolarHBondContact O-N 2.99Å; G856-E858 VanDerWaalsContact C-N 3.3Å; G856-E858 PolarHBondContact O-N 3.22Å; E858-A860 PolarHBondContact O-N 3.39Å; E858-S861 WeakPolarHBondContact O-CB 3.2Å; E858-S861 PolarHBondContact O-N 3.13Å; E858-S861 VanDerWaalsContact O-N 3.13Å; E858-L862 HydrophobicContact CG-CD1 4.38Å; E858-L862 VanDerWaalsContact O-CG 3.32Å; E858-L862 WeakPolarHBondContact O-CG 3.47Å; E858-L862 PolarHBondContact O-N 2.82Å
859	M	96.2	Very high	92.7	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-57.5	-46.9	175.1	-73.4	-63.8	-68.2	0	0	111.8	I131 P817 L818 W848 A851 W852 S855 G856 S861 L862 E863	I131-M859 HydrophobicContact CG2-SD 4.31Å; P817-M859 HydrophobicContact CB-CG 4.31Å; P817-M859 HydrophobicContact CB-SD 3.82Å; P817-M859 HydrophobicContact CG-CG 4.37Å; P817-M859 HydrophobicContact CG-SD 3.52Å; P817-M859 VanDerWaalsContact CG-SD 3.52Å; L818-M859 HydrophobicContact CD2-CE 4.04Å; W848-M859 HydrophobicContact CD2-CE 4.47Å; W848-M859 HydrophobicContact CE3-CE 4.35Å; W848-M859 HydrophobicContact CH2-CE 3.61Å; W848-M859 HydrophobicContact CZ2-CE 3.69Å; W848-M859 HydrophobicContact CZ3-CE 3.97Å; A851-M859 HydrophobicContact CB-CE 4.29Å; A851-M859 HydrophobicContact CB-CG 4.34Å; A851-M859 HydrophobicContact CB-SD 4.08Å; W852-M859 HydrophobicContact CD2-CB 3.86Å; W852-M859 HydrophobicContact CD2-CG 4.49Å; W852-M859 HydrophobicContact CE3-CB 4.11Å; W852-M859 HydrophobicContact CG-CB 4.37Å; W852-M859 HydrophobicContact CH2-CB 4.26Å; W852-M859 HydrophobicContact CZ2-CB 3.98Å; W852-M859 HydrophobicContact CZ3-CB 4.31Å; S855-M859 PolarHBondContact O-N 3.32Å; G856-M859 PolarHBondContact O-N 3.22Å; M859-S861 VanDerWaalsContact C-N 3.27Å; M859-S861 PolarHBondContact O-N 3.27Å; M859-L862 PolarHBondContact O-N 2.62Å; M859-E863 PolarHBondContact O-N 3.33Å
860	A	96.2	Very high	91.3	Very high	44 Å²	44	51.5 Å²	51.5	36%	0.364	27%	0.27	S	S	.	.	H	α-helix	trans	-59.7	-40.4	175.8	0	0	0	0	0	111.8	W852 G856 E858 A864	W852-A860 HydrophobicContact CH2-CB 3.81Å; W852-A860 HydrophobicContact CZ3-CB 3.93Å; G856-A860 WeakPolarHBondContact O-CB 3.35Å; G856-A860 PolarHBondContact O-N 3.06Å; E858-A860 PolarHBondContact O-N 3.39Å; A860-A864 WeakPolarHBondContact O-CB 3.35Å; A860-A864 PolarHBondContact O-N 3.17Å
861	S	94.7	Very high	89.2	Confident	46 Å²	46	58.5 Å²	58.5	32%	0.322	30%	0.301	S	S	.	.	H	α-helix	trans	-68.9	-35	177.5	-168.2	0	0	0	0	113.1	K138 P857 E858 M859 W865	K138-S861 PolarHBondContact NZ-OG 2.99Å; P857-S861 WeakPolarHBondContact O-CB 3.45Å; P857-S861 PolarHBondContact O-N 3.36Å; P857-S861 VanDerWaalsContact O-N 3.11Å; E858-S861 WeakPolarHBondContact O-CB 3.2Å; E858-S861 PolarHBondContact O-N 3.13Å; E858-S861 VanDerWaalsContact O-N 3.13Å; M859-S861 VanDerWaalsContact C-N 3.27Å; M859-S861 PolarHBondContact O-N 3.27Å; S861-W865 WeakPolarHBondContact O-CB 3.16Å; S861-W865 PolarHBondContact O-N 3Å
862	L	95.9	Very high	86.9	Confident	3 Å²	3	62.4 Å²	62.4	2%	0.016	32%	0.316	C	S	.	.	H	α-helix	trans	-71.5	-41	175.8	-66.1	176.7	0	0	0	112	I131 A134 Y135 K138 P817 E858 M859 W865 L866	I131-L862 HydrophobicContact CD1-CB 4.06Å; I131-L862 HydrophobicContact CG2-CD1 3.89Å; A134-L862 HydrophobicContact CB-CD2 4.27Å; Y135-L862 HydrophobicContact CD2-CD1 4.32Å; K138-L862 HydrophobicContact CD-CD2 4.21Å; P817-L862 HydrophobicContact CG-CD1 3.72Å; E858-L862 HydrophobicContact CG-CD1 4.38Å; E858-L862 VanDerWaalsContact O-CG 3.32Å; E858-L862 WeakPolarHBondContact O-CG 3.47Å; E858-L862 PolarHBondContact O-N 2.82Å; M859-L862 PolarHBondContact O-N 2.62Å; L862-W865 PolarHBondContact O-N 3.4Å; L862-L866 WeakPolarHBondContact O-CG 3.38Å; L862-L866 PolarHBondContact O-N 3.02Å
863	E	94.4	Very high	84.6	Confident	52 Å²	52	61.7 Å²	61.7	24%	0.243	31%	0.313	C	S	.	.	H	α-helix	trans	-63.9	-43.6	173.3	-76.4	-162.5	158.3	0	0	111.6	R127 I131 W848 W852 M859 W865 L866 E867	R127-E863 IonicContact NH2-OE1 3.14Å; R127-E863 PolarHBondContact NH2-OE1 3.36Å; R127-E863 VanDerWaalsContact NH2-OE1 3.14Å; I131-E863 HydrophobicContact CD1-CG 3.97Å; W848-E863 WeakPolarHBondContact CZ2-OE1 3.44Å; W852-E863 HydrophobicContact CZ2-CG 4.36Å; W852-E863 WeakPolarHBondContact CZ2-OE2 3.43Å; M859-E863 PolarHBondContact O-N 3.33Å; E863-W865 VanDerWaalsContact C-N 3.31Å; E863-W865 PolarHBondContact O-N 3.01Å; E863-L866 WeakPolarHBondContact O-CB 3.43Å; E863-L866 PolarHBondContact O-N 3.49Å; E863-E867 WeakPolarHBondContact O-CG 3.22Å; E863-E867 PolarHBondContact O-N 2.91Å
864	A	92.8	Very high	81.9	Confident	54 Å²	54	60.6 Å²	60.6	45%	0.446	32%	0.317	S	S	.	.	H	α-helix	trans	-60.3	-41	174.8	0	0	0	0	0	112.3	A860 E867 E868	A860-A864 WeakPolarHBondContact O-CB 3.35Å; A860-A864 PolarHBondContact O-N 3.17Å; A864-E867 PolarHBondContact O-N 3.17Å; A864-E868 PolarHBondContact O-N 2.91Å
865	W	91.1	Very high	79.3	Confident	33 Å²	33	65.8 Å²	65.8	13%	0.125	33%	0.334	C	S	.	.	H	α-helix	trans	-62.9	-42.9	175.7	-170.5	92.6	0	0	0	111.5	A134 M137 K138 L221 S861 L862 E863 E868 H869	A134-W865 HydrophobicContact CB-CE3 3.68Å; A134-W865 HydrophobicContact CB-CZ3 4.13Å; M137-W865 HydrophobicContact CB-CH2 3.36Å; M137-W865 HydrophobicContact CB-CZ2 3.62Å; M137-W865 HydrophobicContact CB-CZ3 4.02Å; M137-W865 HydrophobicContact CG-CH2 3.94Å; K138-W865 HydrophobicContact CB-CG 4.42Å; L221-W865 HydrophobicContact CD1-CZ2 4.03Å; S861-W865 WeakPolarHBondContact O-CB 3.16Å; S861-W865 PolarHBondContact O-N 3Å; L862-W865 PolarHBondContact O-N 3.4Å; E863-W865 VanDerWaalsContact C-N 3.31Å; E863-W865 PolarHBondContact O-N 3.01Å; W865-E868 PolarHBondContact O-N 3.44Å; W865-H869 AromaticContact CD1-CE1 3.66Å; W865-H869 AromaticContact CD1-ND1 3.8Å; W865-H869 HydrophobicContact CD2-CB 4.48Å; W865-H869 AromaticContact CD2-ND1 3.64Å; W865-H869 AromaticContact CE2-CD2 3.95Å; W865-H869 AromaticContact CE2-CE1 3.61Å; W865-H869 AromaticContact CE2-CG 3.72Å; W865-H869 AromaticContact CE2-ND1 3.48Å; W865-H869 AromaticContact CE2-NE2 3.89Å; W865-H869 HydrophobicContact CE3-CB 4.22Å; W865-H869 AromaticContact CG-ND1 3.86Å; W865-H869 HydrophobicContact CH2-CB 3.92Å; W865-H869 AromaticContact CH2-CG 3.91Å; W865-H869 HydrophobicContact CZ2-CB 4.2Å; W865-H869 AromaticContact CZ2-CD2 3.65Å; W865-H869 AromaticContact CZ2-CG 3.66Å; W865-H869 AromaticContact CZ2-ND1 3.92Å; W865-H869 AromaticContact CZ2-NE2 3.94Å; W865-H869 HydrophobicContact CZ3-CB 3.94Å; W865-H869 AromaticContact NE1-CE1 3.3Å; W865-H869 PolarHBondContact NE1-CE1 3.35Å; W865-H869 VanDerWaalsContact NE1-CE1 3.3Å; W865-H869 AromaticContact NE1-ND1 3.59Å; W865-H869 AromaticContact NE1-NE2 3.73Å; W865-H869 WeakPolarHBondContact O-CB 3.16Å; W865-H869 PolarHBondContact O-N 2.96Å; W865-H869 PolarHBondContact O-ND1 3.39Å
866	L	90.4	Very high	76.8	Confident	18 Å²	18	72.9 Å²	72.9	9%	0.094	36%	0.359	C	S	.	.	H	α-helix	trans	-61.3	-46.2	174.1	-76	171.8	0	0	0	111.7	A130 I131 A134 L862 E863 E868 H869 E870	A130-L866 HydrophobicContact CB-CD1 3.88Å; A130-L866 HydrophobicContact CB-CD2 4.04Å; I131-L866 HydrophobicContact CD1-CD1 3.65Å; I131-L866 HydrophobicContact CG1-CD1 4.24Å; A134-L866 HydrophobicContact CB-CD1 4.28Å; A134-L866 HydrophobicContact CB-CD2 3.81Å; A134-L866 HydrophobicContact CB-CG 3.74Å; L862-L866 WeakPolarHBondContact O-CG 3.38Å; L862-L866 PolarHBondContact O-N 3.02Å; E863-L866 WeakPolarHBondContact O-CB 3.43Å; E863-L866 PolarHBondContact O-N 3.49Å; L866-E868 VanDerWaalsContact C-N 3.26Å; L866-E868 PolarHBondContact O-N 3.02Å; L866-H869 PolarHBondContact O-N 3.37Å; L866-E870 HydrophobicContact CD2-CG 4.07Å; L866-E870 WeakPolarHBondContact O-CA 3.41Å; L866-E870 VanDerWaalsContact O-CB 3.24Å; L866-E870 WeakPolarHBondContact O-CB 3.33Å; L866-E870 PolarHBondContact O-N 3.48Å
867	E	87	Confident	74	Confident	126 Å²	126	78.9 Å²	78.9	59%	0.589	38%	0.377	S	S	*	.	H	α-helix	trans	-59.9	-38.6	177.8	-73.7	-174.8	-177	0	0	112.5	E863 A864 K871	E863-E867 WeakPolarHBondContact O-CG 3.22Å; E863-E867 PolarHBondContact O-N 2.91Å; A864-E867 PolarHBondContact O-N 3.17Å; E867-K871 WeakPolarHBondContact O-CG 3.41Å
868	E	82.3	Confident	71.2	Confident	93 Å²	93	76.7 Å²	76.7	44%	0.435	36%	0.364	S	S	.	.	H	α-helix	trans	-68.5	-42.8	176.6	-179.1	170.2	-157.8	0	0	112.2	R261 A864 W865 L866 Y872	R261-E868 IonicContact CZ-OE1 3.81Å; R261-E868 IonicContact NH1-OE1 3.65Å; R261-E868 PolarHBondContact NH1-OE1 3.44Å; A864-E868 PolarHBondContact O-N 2.91Å; W865-E868 PolarHBondContact O-N 3.44Å; L866-E868 VanDerWaalsContact C-N 3.26Å; L866-E868 PolarHBondContact O-N 3.02Å; E868-Y872 WeakPolarHBondContact O-CD2 3.46Å; E868-Y872 VanDerWaalsContact O-CE2 3.23Å; E868-Y872 WeakPolarHBondContact O-CE2 3.29Å
869	H	79	Confident	68.4	Low	66 Å²	66	82.5 Å²	82.5	31%	0.306	39%	0.391	S	S	.	.	H	α-helix	trans	-97.4	-28.6	-169.5	-65.1	74.7	0	0	0	113.8	W865 L866	W865-H869 AromaticContact CD1-CE1 3.66Å; W865-H869 AromaticContact CD1-ND1 3.8Å; W865-H869 HydrophobicContact CD2-CB 4.48Å; W865-H869 AromaticContact CD2-ND1 3.64Å; W865-H869 AromaticContact CE2-CD2 3.95Å; W865-H869 AromaticContact CE2-CE1 3.61Å; W865-H869 AromaticContact CE2-CG 3.72Å; W865-H869 AromaticContact CE2-ND1 3.48Å; W865-H869 AromaticContact CE2-NE2 3.89Å; W865-H869 HydrophobicContact CE3-CB 4.22Å; W865-H869 AromaticContact CG-ND1 3.86Å; W865-H869 HydrophobicContact CH2-CB 3.92Å; W865-H869 AromaticContact CH2-CG 3.91Å; W865-H869 HydrophobicContact CZ2-CB 4.2Å; W865-H869 AromaticContact CZ2-CD2 3.65Å; W865-H869 AromaticContact CZ2-CG 3.66Å; W865-H869 AromaticContact CZ2-ND1 3.92Å; W865-H869 AromaticContact CZ2-NE2 3.94Å; W865-H869 HydrophobicContact CZ3-CB 3.94Å; W865-H869 AromaticContact NE1-CE1 3.3Å; W865-H869 PolarHBondContact NE1-CE1 3.35Å; W865-H869 VanDerWaalsContact NE1-CE1 3.3Å; W865-H869 AromaticContact NE1-ND1 3.59Å; W865-H869 AromaticContact NE1-NE2 3.73Å; W865-H869 WeakPolarHBondContact O-CB 3.16Å; W865-H869 PolarHBondContact O-N 2.96Å; W865-H869 PolarHBondContact O-ND1 3.39Å; L866-H869 PolarHBondContact O-N 3.37Å
870	E	66.8	Low	65.3	Low	72 Å²	72	90.7 Å²	90.7	34%	0.336	42%	0.422	S	S	.	.	H	α-helix	trans	-81.6	-24.9	177.7	-77.4	-163.5	133.1	0	0	114.3	L866 Y872 R873 T874	L866-E870 HydrophobicContact CD2-CG 4.07Å; L866-E870 WeakPolarHBondContact O-CA 3.41Å; L866-E870 VanDerWaalsContact O-CB 3.24Å; L866-E870 WeakPolarHBondContact O-CB 3.33Å; L866-E870 PolarHBondContact O-N 3.48Å; E870-Y872 PolarHBondContact O-N 2.87Å; E870-R873 WeakPolarHBondContact O-CA 3.39Å; E870-R873 VanDerWaalsContact O-CB 3.32Å; E870-R873 WeakPolarHBondContact O-CB 3.29Å; E870-R873 PolarHBondContact O-N 2.89Å; E870-R873 IonicContact OE1-NH1 3.94Å; E870-T874 PolarHBondContact O-N 3.46Å
871	K	50.4	Low	62.2	Low	149 Å²	149	98.9 Å²	98.9	65%	0.648	44%	0.443	S	S	*	.	H	α-helix	trans	-54.5	-24.7	169.2	-90.5	177.5	-179.6	161.6	0	112.3	E867 T874	E867-K871 WeakPolarHBondContact O-CG 3.41Å; K871-T874 PolarHBondContact O-OG1 2.92Å
872	Y	47.6	Very low	59.4	Low	81 Å²	81	107.5 Å²	107.5	32%	0.318	47%	0.469	S	S	.	.	H	α-helix	trans	-87.3	-16.7	175.1	-65	-80.9	0	0	0	113.6	N259 R261 E868 E870	N259-Y872 HydrophobicContact CB-CD1 4.49Å; N259-Y872 HydrophobicContact CB-CE1 4.5Å; R261-Y872 VanDerWaalsContact CZ-OH 3.25Å; R261-Y872 PolarHBondContact NE-OH 3.02Å; R261-Y872 PolarHBondContact NH2-OH 3.46Å; E868-Y872 WeakPolarHBondContact O-CD2 3.46Å; E868-Y872 VanDerWaalsContact O-CE2 3.23Å; E868-Y872 WeakPolarHBondContact O-CE2 3.29Å; E870-Y872 PolarHBondContact O-N 2.87Å
873	R	48.8	Very low	56.9	Low	71 Å²	71	111 Å²	111	27%	0.268	49%	0.49	S	S	.	.	H	α-helix	trans	-80.4	-40.2	178.8	-161.1	-176.9	-169.8	174.5	11.9	112.9	E112 E870 R875 R876 R877	E112-R873 IonicContact OE1-CZ 3.76Å; E112-R873 IonicContact OE1-NH2 3.68Å; E112-R873 PolarHBondContact OE1-NH2 2.9Å; E112-R873 IonicContact OE2-NH2 3.84Å; E870-R873 WeakPolarHBondContact O-CA 3.39Å; E870-R873 VanDerWaalsContact O-CB 3.32Å; E870-R873 WeakPolarHBondContact O-CB 3.29Å; E870-R873 PolarHBondContact O-N 2.89Å; E870-R873 IonicContact OE1-NH1 3.94Å; R873-R875 PolarHBondContact O-N 3.49Å; R873-R876 WeakPolarHBondContact O-CA 3.27Å; R873-R876 WeakPolarHBondContact O-CB 3.42Å; R873-R876 PolarHBondContact O-N 3.41Å; R873-R877 PolarHBondContact O-N 3.27Å
874	T	39.1	Very low	54.7	Low	103 Å²	103	112.2 Å²	112.2	63%	0.632	50%	0.501	S	S	*	.	H	α-helix	trans	-61.7	-30.2	177.9	37.5	0	0	0	0	112.3	E870 K871 R877 S878	E870-T874 PolarHBondContact O-N 3.46Å; K871-T874 PolarHBondContact O-OG1 2.92Å; T874-R877 PolarHBondContact O-N 3.37Å; T874-S878 PolarHBondContact O-N 2.93Å
875	R	37.1	Very low	52.7	Low	201 Å²	201	113.6 Å²	113.6	76%	0.758	51%	0.506	S	S	*	.	H	α-helix	trans	-68	-27.2	168.6	-83.1	-176.7	172.1	172.8	-1.2	114.3	R873 S878	R873-R875 PolarHBondContact O-N 3.49Å; R875-S878 PolarHBondContact O-OG 2.89Å
876	R	41.2	Very low	51	Low	163 Å²	163	113.6 Å²	113.6	62%	0.615	52%	0.516	S	S	*	.	H	α-helix	trans	-79.4	-26.8	175.3	-77.4	-175	173.2	-179.5	0.3	113.2	R873	R873-R876 WeakPolarHBondContact O-CA 3.27Å; R873-R876 WeakPolarHBondContact O-CB 3.42Å; R873-R876 PolarHBondContact O-N 3.41Å
877	R	34.1	Very low	49.3	Very low	142 Å²	142	116 Å²	116	54%	0.536	53%	0.534	S	S	.	.	H	α-helix	trans	-82.9	-19.2	177.6	-88.5	-173.6	173.3	174.9	-1	114.5	R873 T874 H879 W880	R873-R877 PolarHBondContact O-N 3.27Å; T874-R877 PolarHBondContact O-N 3.37Å; R877-H879 PolarHBondContact O-N 3.28Å; R877-H879 VanDerWaalsContact O-N 3.12Å; R877-W880 WeakPolarHBondContact O-CB 3.32Å; R877-W880 PolarHBondContact O-N 3.5Å
878	S	35.1	Very low	48.1	Very low	67 Å²	67	115.3 Å²	115.3	47%	0.469	53%	0.534	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-17.7	-177.3	66.1	0	0	0	0	114.4	T874 R875	T874-S878 PolarHBondContact O-N 2.93Å; R875-S878 PolarHBondContact O-OG 2.89Å
879	H	36.1	Very low	47.5	Very low	149 Å²	149	113.7 Å²	113.7	69%	0.69	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-12.4	171.8	-77	-35.4	0	0	0	114.7	R877 T883	R877-H879 PolarHBondContact O-N 3.28Å; R877-H879 VanDerWaalsContact O-N 3.12Å; H879-T883 PolarHBondContact O-OG1 2.9Å
880	W	31.4	Very low	46.6	Very low	172 Å²	172	116.2 Å²	116.2	65%	0.652	55%	0.55	S	S	*	.	H	α-helix	trans	-81.9	-27.3	-178.7	-81.6	65.7	0	0	0	113.7	R877 W882 T883 V884	R877-W880 WeakPolarHBondContact O-CB 3.32Å; R877-W880 PolarHBondContact O-N 3.5Å; W880-W882 PolarHBondContact O-N 3.3Å; W880-T883 VanDerWaalsContact CA-OG1 3.31Å; W880-T883 WeakPolarHBondContact CA-OG1 3.4Å; W880-T883 PolarHBondContact O-N 3.42Å; W880-T883 PolarHBondContact O-OG1 2.83Å; W880-V884 HydrophobicContact CE3-CG2 3.86Å; W880-V884 HydrophobicContact CZ3-CG2 4.42Å; W880-V884 PolarHBondContact O-N 3.28Å
881	W	31.1	Very low	46.8	Very low	215 Å²	215	117.5 Å²	117.5	81%	0.814	56%	0.562	S	S	*	*	H	α-helix	trans	-70.5	-19.2	-177.5	-76.7	61.3	0	0	0	113.5
882	W	36.2	Very low	47.9	Very low	228 Å²	228	116 Å²	116	86%	0.864	56%	0.56	S	S	*	*	H	α-helix	trans	-97.2	-21.4	174.3	-67	95.8	0	0	0	113.6	W880	W880-W882 PolarHBondContact O-N 3.3Å
883	T	43.5	Very low	49.2	Very low	75 Å²	75	117.9 Å²	117.9	46%	0.46	58%	0.575	S	S	.	*	H	α-helix	trans	-90.8	-37.8	-173.3	34.5	0	0	0	0	113.2	H879 W880 G886 C887	H879-T883 PolarHBondContact O-OG1 2.9Å; W880-T883 VanDerWaalsContact CA-OG1 3.31Å; W880-T883 WeakPolarHBondContact CA-OG1 3.4Å; W880-T883 PolarHBondContact O-N 3.42Å; W880-T883 PolarHBondContact O-OG1 2.83Å; T883-G886 PolarHBondContact O-N 3.41Å; T883-C887 WeakPolarHBondContact O-CB 3.3Å; T883-C887 PolarHBondContact O-N 3.27Å; T883-C887 PolarHBondContact O-SG 3.47Å
884	V	47.3	Very low	50.1	Low	78 Å²	78	119.9 Å²	119.9	47%	0.473	59%	0.591	S	S	.	*	H	α-helix	trans	-65.9	-45.8	-176.2	179.9	0	0	0	0	113.1	W880 G886 C887 L888	W880-V884 HydrophobicContact CE3-CG2 3.86Å; W880-V884 HydrophobicContact CZ3-CG2 4.42Å; W880-V884 PolarHBondContact O-N 3.28Å; V884-G886 VanDerWaalsContact C-N 3.33Å; V884-G886 PolarHBondContact O-N 3.32Å; V884-C887 PolarHBondContact O-N 2.95Å; V884-L888 WeakPolarHBondContact O-CB 3.17Å; V884-L888 PolarHBondContact O-N 3.18Å
885	P	50.4	Low	51.7	Low	83 Å²	83	117.7 Å²	117.7	54%	0.539	58%	0.584	S	S	.	*	H	α-helix	trans	-64.6	-37.8	176.9	-20.1	33	0	0	0	112.4	L888 A889	P885-L888 PolarHBondContact O-N 2.88Å; P885-A889 VanDerWaalsContact O-CB 3.3Å; P885-A889 WeakPolarHBondContact O-CB 3.38Å; P885-A889 PolarHBondContact O-N 3.24Å
886	G	55.9	Low	53.5	Low	34 Å²	34	111.1 Å²	111.1	35%	0.351	57%	0.572	S	S	.	*	H	α-helix	trans	-66.5	-42.5	177.5	0	0	0	0	0	112.9	T883 V884 M890	T883-G886 PolarHBondContact O-N 3.41Å; V884-G886 VanDerWaalsContact C-N 3.33Å; V884-G886 PolarHBondContact O-N 3.32Å; G886-M890 WeakPolarHBondContact O-CB 3.26Å; G886-M890 WeakPolarHBondContact O-CG 3.17Å; G886-M890 PolarHBondContact O-N 2.9Å
887	C	55.2	Low	54.9	Low	68 Å²	68	106.9 Å²	106.9	46%	0.459	56%	0.564	S	S	.	*	H	α-helix	trans	-66	-42.8	175	-72.3	0	0	0	0	111.8	T883 V884 M890 V891	T883-C887 WeakPolarHBondContact O-CB 3.3Å; T883-C887 PolarHBondContact O-N 3.27Å; T883-C887 PolarHBondContact O-SG 3.47Å; V884-C887 PolarHBondContact O-N 2.95Å; C887-M890 PolarHBondContact O-N 3.45Å; C887-V891 WeakPolarHBondContact O-CG2 3.33Å; C887-V891 PolarHBondContact O-N 2.81Å
888	L	61.9	Low	56.3	Low	112 Å²	112	103.3 Å²	103.3	59%	0.586	56%	0.561	S	S	*	*	H	α-helix	trans	-65.9	-42.8	179.2	-158	80.5	0	0	0	111.7	V884 P885 M890 V891 L892	V884-L888 WeakPolarHBondContact O-CB 3.17Å; V884-L888 PolarHBondContact O-N 3.18Å; P885-L888 PolarHBondContact O-N 2.88Å; L888-M890 VanDerWaalsContact C-N 3.32Å; L888-M890 PolarHBondContact O-N 2.87Å; L888-V891 PolarHBondContact O-N 3.04Å; L888-L892 WeakPolarHBondContact O-CG 3.34Å; L888-L892 PolarHBondContact O-N 3Å
889	A	70	Confident	57.9	Low	59 Å²	59	107.2 Å²	107.2	49%	0.488	57%	0.566	S	S	.	*	H	α-helix	trans	-61.5	-39.1	174.6	0	0	0	0	0	112	P885 L892 L893	P885-A889 VanDerWaalsContact O-CB 3.3Å; P885-A889 WeakPolarHBondContact O-CB 3.38Å; P885-A889 PolarHBondContact O-N 3.24Å; A889-L892 PolarHBondContact O-N 3.23Å; A889-L893 WeakPolarHBondContact O-CB 3.49Å; A889-L893 PolarHBondContact O-N 2.98Å
890	M	58.5	Low	59.1	Low	119 Å²	119	101.4 Å²	101.4	59%	0.586	55%	0.547	S	S	*	.	H	α-helix	trans	-70.5	-39	176.8	-82.2	-168.2	-67.9	0	0	113.4	G886 C887 L888 L892 L893 N894	G886-M890 WeakPolarHBondContact O-CB 3.26Å; G886-M890 WeakPolarHBondContact O-CG 3.17Å; G886-M890 PolarHBondContact O-N 2.9Å; C887-M890 PolarHBondContact O-N 3.45Å; L888-M890 VanDerWaalsContact C-N 3.32Å; L888-M890 PolarHBondContact O-N 2.87Å; M890-L892 VanDerWaalsContact C-N 3.31Å; M890-L892 PolarHBondContact O-N 3.32Å; M890-L893 PolarHBondContact O-N 3.28Å; M890-N894 WeakPolarHBondContact O-CB 3.43Å; M890-N894 PolarHBondContact O-N 2.87Å
891	V	72.9	Confident	60.4	Low	98 Å²	98	97.6 Å²	97.6	59%	0.594	54%	0.539	S	S	*	.	H	α-helix	trans	-61.8	-43	174.4	171	0	0	0	0	110.2	C887 L888 N894 A895	C887-V891 WeakPolarHBondContact O-CG2 3.33Å; C887-V891 PolarHBondContact O-N 2.81Å; L888-V891 PolarHBondContact O-N 3.04Å; V891-N894 PolarHBondContact O-N 2.92Å; V891-A895 WeakPolarHBondContact O-CB 3.4Å; V891-A895 PolarHBondContact O-N 3.38Å
892	L	73.3	Confident	61.6	Low	118 Å²	118	92.4 Å²	92.4	62%	0.618	53%	0.53	S	S	*	.	H	α-helix	trans	-64.4	-39.9	175.6	-71.3	169.8	0	0	0	112.1	L888 A889 M890 A895 A896	L888-L892 WeakPolarHBondContact O-CG 3.34Å; L888-L892 PolarHBondContact O-N 3Å; A889-L892 PolarHBondContact O-N 3.23Å; M890-L892 VanDerWaalsContact C-N 3.31Å; M890-L892 PolarHBondContact O-N 3.32Å; L892-A895 PolarHBondContact O-N 3.29Å; L892-A896 WeakPolarHBondContact O-CB 3.35Å; L892-A896 PolarHBondContact O-N 3.09Å
893	L	75.1	Confident	62.4	Low	121 Å²	121	90.3 Å²	90.3	63%	0.634	52%	0.522	S	S	*	.	H	α-helix	trans	-64.7	-45	176.3	-153.6	93.5	0	0	0	111.5	A889 M890 A896 V897	A889-L893 WeakPolarHBondContact O-CB 3.49Å; A889-L893 PolarHBondContact O-N 2.98Å; M890-L893 PolarHBondContact O-N 3.28Å; L893-A896 PolarHBondContact O-N 2.91Å; L893-V897 VanDerWaalsContact O-CG2 3.3Å; L893-V897 WeakPolarHBondContact O-CG2 3.07Å; L893-V897 PolarHBondContact O-N 3.37Å
894	N	67.6	Low	62.6	Low	113 Å²	113	94 Å²	94	60%	0.604	54%	0.538	S	S	*	.	H	α-helix	trans	-65.4	-39.2	177.5	-105.5	-27.3	0	0	0	112.1	M890 V891 V897 S898	M890-N894 WeakPolarHBondContact O-CB 3.43Å; M890-N894 PolarHBondContact O-N 2.87Å; V891-N894 PolarHBondContact O-N 2.92Å; N894-V897 PolarHBondContact O-N 3.05Å; N894-S898 VanDerWaalsContact O-CB 3.28Å; N894-S898 WeakPolarHBondContact O-CB 3.37Å; N894-S898 PolarHBondContact O-N 3.34Å; N894-S898 PolarHBondContact O-OG 2.94Å
895	A	72.5	Confident	62.2	Low	57 Å²	57	95.8 Å²	95.8	47%	0.471	55%	0.545	S	S	.	.	H	α-helix	trans	-63.7	-42.3	174	0	0	0	0	0	111.3	V891 L892 S898 Y899	V891-A895 WeakPolarHBondContact O-CB 3.4Å; V891-A895 PolarHBondContact O-N 3.38Å; L892-A895 PolarHBondContact O-N 3.29Å; A895-S898 PolarHBondContact O-N 3.31Å; A895-Y899 VanDerWaalsContact O-CB 3.24Å; A895-Y899 WeakPolarHBondContact O-CB 3.46Å; A895-Y899 PolarHBondContact O-N 2.89Å
896	A	73.2	Confident	61.4	Low	62 Å²	62	95.4 Å²	95.4	51%	0.512	55%	0.549	S	S	.	.	H	α-helix	trans	-65.4	-42.3	177.1	0	0	0	0	0	112.5	L892 L893 Y899 G900	L892-A896 WeakPolarHBondContact O-CB 3.35Å; L892-A896 PolarHBondContact O-N 3.09Å; L893-A896 PolarHBondContact O-N 2.91Å; A896-Y899 PolarHBondContact O-N 2.68Å; A896-G900 PolarHBondContact O-N 2.79Å
897	V	72.3	Confident	60.4	Low	75 Å²	75	99.3 Å²	99.3	46%	0.455	57%	0.568	S	S	.	*	H	α-helix	trans	-65	-46.2	175.6	171.9	0	0	0	0	110.7	L893 N894 Y899 G900 I901	L893-V897 VanDerWaalsContact O-CG2 3.3Å; L893-V897 WeakPolarHBondContact O-CG2 3.07Å; L893-V897 PolarHBondContact O-N 3.37Å; N894-V897 PolarHBondContact O-N 3.05Å; V897-Y899 VanDerWaalsContact C-N 3.33Å; V897-Y899 PolarHBondContact O-N 2.9Å; V897-G900 PolarHBondContact O-N 2.73Å; V897-I901 HydrophobicContact CG1-CD1 3.82Å; V897-I901 HydrophobicContact CG1-CG1 4.44Å; V897-I901 WeakPolarHBondContact O-CG1 3.5Å; V897-I901 PolarHBondContact O-N 2.76Å
898	S	63.9	Low	59.4	Low	66 Å²	66	102.9 Å²	102.9	46%	0.462	59%	0.587	S	S	.	*	H	α-helix	trans	-61.4	-42.5	177.6	-59.5	0	0	0	0	111.6	N894 A895 I901 V902	N894-S898 VanDerWaalsContact O-CB 3.28Å; N894-S898 WeakPolarHBondContact O-CB 3.37Å; N894-S898 PolarHBondContact O-N 3.34Å; N894-S898 PolarHBondContact O-OG 2.94Å; A895-S898 PolarHBondContact O-N 3.31Å; S898-I901 PolarHBondContact O-N 2.83Å; S898-V902 WeakPolarHBondContact O-CG2 3.38Å; S898-V902 PolarHBondContact O-N 3.02Å
899	Y	68	Low	57.8	Low	149 Å²	149	104.2 Å²	104.2	58%	0.584	60%	0.6	S	S	*	*	H	α-helix	trans	-62.7	-41.7	174.6	-176.6	-98.7	0	0	0	112	A895 A896 V897 V902 R903	A895-Y899 VanDerWaalsContact O-CB 3.24Å; A895-Y899 WeakPolarHBondContact O-CB 3.46Å; A895-Y899 PolarHBondContact O-N 2.89Å; A896-Y899 PolarHBondContact O-N 2.68Å; V897-Y899 VanDerWaalsContact C-N 3.33Å; V897-Y899 PolarHBondContact O-N 2.9Å; Y899-V902 PolarHBondContact O-N 3.43Å; Y899-R903 WeakPolarHBondContact O-CB 3.48Å; Y899-R903 PolarHBondContact O-N 3.44Å
900	G	61.5	Low	55.9	Low	27 Å²	27	105.8 Å²	105.8	28%	0.278	61%	0.614	S	S	.	*	H	α-helix	trans	-62.2	-43.1	175.1	0	0	0	0	0	113.2	A896 V897 R903 L904	A896-G900 PolarHBondContact O-N 2.79Å; V897-G900 PolarHBondContact O-N 2.73Å; G900-R903 PolarHBondContact O-N 2.9Å; G900-L904 WeakPolarHBondContact O-CB 3.33Å; G900-L904 WeakPolarHBondContact O-CG 3.42Å; G900-L904 PolarHBondContact O-N 2.94Å
901	I	58.5	Low	54.6	Low	93 Å²	93	104.9 Å²	104.9	48%	0.477	63%	0.625	S	S	.	*	H	α-helix	trans	-63.7	-46.8	177.7	-68.7	167.1	0	0	0	110.8	V897 S898 R903 L904 N905	V897-I901 HydrophobicContact CG1-CD1 3.82Å; V897-I901 HydrophobicContact CG1-CG1 4.44Å; V897-I901 WeakPolarHBondContact O-CG1 3.5Å; V897-I901 PolarHBondContact O-N 2.76Å; S898-I901 PolarHBondContact O-N 2.83Å; I901-R903 VanDerWaalsContact C-N 3.28Å; I901-R903 PolarHBondContact O-N 3.43Å; I901-L904 PolarHBondContact O-N 3.47Å; I901-N905 WeakPolarHBondContact O-CB 3.44Å; I901-N905 PolarHBondContact O-N 3.03Å
902	V	55.9	Low	52.5	Low	106 Å²	106	108.9 Å²	108.9	64%	0.642	64%	0.635	S	S	*	*	H	α-helix	trans	-63	-36.7	178.5	172.1	0	0	0	0	111.3	S898 Y899 A906	S898-V902 WeakPolarHBondContact O-CG2 3.38Å; S898-V902 PolarHBondContact O-N 3.02Å; Y899-V902 PolarHBondContact O-N 3.43Å; V902-A906 PolarHBondContact O-N 2.73Å
903	R	53.2	Low	50.8	Low	184 Å²	184	108.7 Å²	108.7	69%	0.694	63%	0.634	S	S	*	*	H	α-helix	trans	-76.5	-34.4	-178.9	-151.9	-179.2	-169	-169.1	4.5	113.3	Y899 G900 I901	Y899-R903 WeakPolarHBondContact O-CB 3.48Å; Y899-R903 PolarHBondContact O-N 3.44Å; G900-R903 PolarHBondContact O-N 2.9Å; I901-R903 VanDerWaalsContact C-N 3.28Å; I901-R903 PolarHBondContact O-N 3.43Å
904	L	48.3	Very low	48.8	Very low	153 Å²	153	109.9 Å²	109.9	80%	0.801	64%	0.638	S	S	*	*	H	α-helix	trans	-77.6	-31	177.5	-77.1	165.6	0	0	0	112.7	G900 I901	G900-L904 WeakPolarHBondContact O-CB 3.33Å; G900-L904 WeakPolarHBondContact O-CG 3.42Å; G900-L904 PolarHBondContact O-N 2.94Å; I901-L904 PolarHBondContact O-N 3.47Å
905	N	39.3	Very low	47.6	Very low	115 Å²	115	111.6 Å²	111.6	62%	0.615	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.2	20.6	-177.5	-71.9	-26.5	0	0	0	113.7	I901 P907	I901-N905 WeakPolarHBondContact O-CB 3.44Å; I901-N905 PolarHBondContact O-N 3.03Å; N905-P907 WeakPolarHBondContact O-CD 3.42Å; N905-P907 WeakPolarHBondContact O-CG 3.5Å
906	A	32.8	Very low	46.3	Very low	75 Å²	75	116.1 Å²	116.1	62%	0.62	65%	0.652	S	S	*	*			trans	-62.5	103	174.7	0	0	0	0	0	109.9	V902	V902-A906 PolarHBondContact O-N 2.73Å
907	P	35.4	Very low	45.1	Very low	116 Å²	116	117.3 Å²	117.3	75%	0.753	65%	0.653	S	S	*	*			trans	-85.9	134.4	-178.7	2.7	19.8	0	0	0	108	N905 T909	N905-P907 WeakPolarHBondContact O-CD 3.42Å; N905-P907 WeakPolarHBondContact O-CG 3.5Å; P907-T909 PolarHBondContact O-N 2.86Å
908	V	33.8	Very low	43.6	Very low	142 Å²	142	117.3 Å²	117.3	86%	0.861	65%	0.653	S	S	*	*			trans	-47.7	128.9	174.8	176.2	0	0	0	0	110.4	A910	V908-A910 PolarHBondContact O-N 3.05Å
909	T	28.7	Very low	42.9	Very low	140 Å²	140	118 Å²	118	86%	0.859	65%	0.652	S	S	*	*			trans	-60.2	101.1	-174.9	-30.6	0	0	0	0	110.9	P907	P907-T909 PolarHBondContact O-N 2.86Å
910	A	28.7	Very low	42.1	Very low	93 Å²	93	113.9 Å²	113.9	77%	0.769	65%	0.648	S	S	*	*			trans	-97.6	106.8	164.8	0	0	0	0	0	108.3	V908 F912	V908-A910 PolarHBondContact O-N 3.05Å; A910-F912 PolarHBondContact O-N 3.14Å
911	A	31.4	Very low	41.1	Very low	99 Å²	99	120 Å²	120	82%	0.818	67%	0.667	S	S	*	*			trans	-60.1	115.9	179.8	0	0	0	0	0	111	N913	A911-N913 PolarHBondContact O-N 3.24Å
912	F	30	Very low	40	Very low	183 Å²	183	122.1 Å²	122.1	80%	0.803	67%	0.673	S	S	*	*			trans	-77.3	104.5	-177.5	-152.4	-97.2	0	0	0	109.9	A910 M914	A910-F912 PolarHBondContact O-N 3.14Å; F912-M914 PolarHBondContact O-N 2.95Å
913	N	36.7	Very low	39.4	Very low	114 Å²	114	122.6 Å²	122.6	61%	0.61	67%	0.672	S	S	*	*			trans	-87.1	96.8	-178.8	-170.3	-13.9	0	0	0	110.7	A911 K915 Q916	A911-N913 PolarHBondContact O-N 3.24Å; N913-K915 PolarHBondContact O-N 3.23Å; N913-K915 PolarHBondContact OD1-N 3.44Å; N913-Q916 PolarHBondContact O-N 3.25Å
914	M	32.5	Very low	38.6	Very low	146 Å²	146	118.4 Å²	118.4	72%	0.719	67%	0.671	S	S	*	*	H	α-helix	trans	-57.4	-16.4	-174	-154.3	174.7	-76	0	0	114.8	F912	F912-M914 PolarHBondContact O-N 2.95Å
915	K	42.8	Very low	37.8	Very low	149 Å²	149	115 Å²	115	65%	0.648	67%	0.665	S	S	*	*	H	α-helix	trans	-71.3	-40.3	-176	-157.4	175.8	-178	-175.4	0	113.1	N913 T917 V918 D919	N913-K915 PolarHBondContact O-N 3.23Å; N913-K915 PolarHBondContact OD1-N 3.44Å; K915-T917 VanDerWaalsContact C-N 3.32Å; K915-T917 PolarHBondContact O-N 3.38Å; K915-V918 PolarHBondContact O-N 2.85Å; K915-D919 PolarHBondContact O-N 2.96Å; K915-D919 VanDerWaalsContact O-N 3.16Å
916	Q	45.4	Very low	37.5	Very low	151 Å²	151	113.8 Å²	113.8	71%	0.706	67%	0.665	S	S	*	*	H	α-helix	trans	-66.5	-31.6	-178.9	-86.8	-176.2	-26.4	0	0	113.4	N913 A920	N913-Q916 PolarHBondContact O-N 3.25Å; Q916-A920 WeakPolarHBondContact O-CB 3.36Å; Q916-A920 PolarHBondContact O-N 3.31Å; Q916-A920 VanDerWaalsContact O-N 3.1Å
917	T	47.8	Very low	37.4	Very low	87 Å²	87	118 Å²	118	53%	0.534	67%	0.672	S	S	.	*	H	α-helix	trans	-71	-34.4	179.7	-46.7	0	0	0	0	111.8	K915 F921	K915-T917 VanDerWaalsContact C-N 3.32Å; K915-T917 PolarHBondContact O-N 3.38Å; T917-F921 PolarHBondContact O-N 3.25Å
918	V	41.8	Very low	37.2	Very low	75 Å²	75	122.2 Å²	122.2	46%	0.455	68%	0.679	S	S	.	*	H	α-helix	trans	-72.6	-43.1	177.3	178.4	0	0	0	0	110.4	K915 A920 F921 F922	K915-V918 PolarHBondContact O-N 2.85Å; V918-A920 PolarHBondContact O-N 3.48Å; V918-F921 PolarHBondContact O-N 3.47Å; V918-F922 HydrophobicContact CG1-CD2 3.89Å; V918-F922 HydrophobicContact CG1-CE2 3.79Å; V918-F922 WeakPolarHBondContact O-CD2 3.44Å; V918-F922 PolarHBondContact O-N 3.03Å
919	D	48.3	Very low	36.9	Very low	82 Å²	82	124.6 Å²	124.6	44%	0.439	68%	0.681	S	S	.	*	H	α-helix	trans	-62.6	-41.9	178.3	-65.4	-20.8	0	0	0	111.4	K915 F921 F922 D923	K915-D919 PolarHBondContact O-N 2.96Å; K915-D919 VanDerWaalsContact O-N 3.16Å; D919-F921 VanDerWaalsContact C-N 3.29Å; D919-F921 PolarHBondContact O-N 2.83Å; D919-F922 PolarHBondContact O-N 3.13Å; D919-D923 PolarHBondContact O-N 3.34Å
920	A	52.1	Low	36.7	Very low	61 Å²	61	126.5 Å²	126.5	50%	0.504	68%	0.684	S	S	.	*	H	α-helix	trans	-64.2	-31.4	177.1	0	0	0	0	0	113.7	Q916 V918 S924	Q916-A920 WeakPolarHBondContact O-CB 3.36Å; Q916-A920 PolarHBondContact O-N 3.31Å; Q916-A920 VanDerWaalsContact O-N 3.1Å; V918-A920 PolarHBondContact O-N 3.48Å; A920-S924 VanDerWaalsContact O-CB 3.3Å; A920-S924 WeakPolarHBondContact O-CB 3.32Å; A920-S924 PolarHBondContact O-N 3.16Å
921	F	39.8	Very low	36.5	Very low	155 Å²	155	127.3 Å²	127.3	68%	0.68	68%	0.684	S	S	*	*	H	α-helix	trans	-72.6	-38.1	179	-166.7	-95.5	0	0	0	111.7	T917 V918 D919 A925	T917-F921 PolarHBondContact O-N 3.25Å; V918-F921 PolarHBondContact O-N 3.47Å; D919-F921 VanDerWaalsContact C-N 3.29Å; D919-F921 PolarHBondContact O-N 2.83Å; F921-A925 PolarHBondContact O-N 3.31Å
922	F	35.9	Very low	36.2	Very low	139 Å²	139	131.7 Å²	131.7	61%	0.61	69%	0.688	S	S	*	*	H	α-helix	trans	-76.2	-35.8	177.7	-78.2	-71.4	0	0	0	113	V918 D919 S924 A925	V918-F922 HydrophobicContact CG1-CD2 3.89Å; V918-F922 HydrophobicContact CG1-CE2 3.79Å; V918-F922 WeakPolarHBondContact O-CD2 3.44Å; V918-F922 PolarHBondContact O-N 3.03Å; D919-F922 PolarHBondContact O-N 3.13Å; F922-S924 VanDerWaalsContact C-N 3.35Å; F922-S924 PolarHBondContact O-N 3.36Å; F922-A925 PolarHBondContact O-N 3.07Å
923	D	42.2	Very low	36.6	Very low	115 Å²	115	128.4 Å²	128.4	62%	0.615	69%	0.685	S	S	*	*	H	α-helix	trans	-63.9	-41.7	174.3	-78.6	-16	0	0	0	111.4	D919 A925 S926	D919-D923 PolarHBondContact O-N 3.34Å; D923-A925 VanDerWaalsContact C-N 3.29Å; D923-A925 PolarHBondContact O-N 3.1Å; D923-S926 PolarHBondContact O-N 3.23Å; D923-S926 PolarHBondContact O-OG 3.34Å
924	S	36.6	Very low	35.9	Very low	96 Å²	96	127.8 Å²	127.8	67%	0.671	70%	0.696	S	S	*	*	H	α-helix	trans	-61.9	-31.8	177.9	173	0	0	0	0	113.6	A920 F922 S926	A920-S924 VanDerWaalsContact O-CB 3.3Å; A920-S924 WeakPolarHBondContact O-CB 3.32Å; A920-S924 PolarHBondContact O-N 3.16Å; F922-S924 VanDerWaalsContact C-N 3.35Å; F922-S924 PolarHBondContact O-N 3.36Å; S924-S926 VanDerWaalsContact C-N 3.31Å; S924-S926 PolarHBondContact O-N 2.86Å
925	A	32.8	Very low	35.4	Very low	82 Å²	82	124 Å²	124	68%	0.678	70%	0.695	S	S	*	*	H	α-helix	trans	-78.7	-15.1	-176.9	0	0	0	0	0	113.2	F921 F922 D923	F921-A925 PolarHBondContact O-N 3.31Å; F922-A925 PolarHBondContact O-N 3.07Å; D923-A925 VanDerWaalsContact C-N 3.29Å; D923-A925 PolarHBondContact O-N 3.1Å
926	S	31.4	Very low	34.4	Very low	89 Å²	89	123.6 Å²	123.6	62%	0.622	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.2	-6.8	-171.1	70	0	0	0	0	115.6	D923 S924	D923-S926 PolarHBondContact O-N 3.23Å; D923-S926 PolarHBondContact O-OG 3.34Å; S924-S926 VanDerWaalsContact C-N 3.31Å; S924-S926 PolarHBondContact O-N 2.86Å
927	Q	32.4	Very low	33.2	Very low	165 Å²	165	120.8 Å²	120.8	77%	0.771	71%	0.706	S	S	*	*	S	Bend	trans	-126	15.6	-163.1	-85.8	-164.8	-6.4	0	0	119.2
928	K	30.9	Very low	32.1	Very low	203 Å²	203	120.9 Å²	120.9	88%	0.883	72%	0.716	S	S	*	*			trans	-123.5	79.1	173.8	-73.6	-173.5	177.9	177.4	0	113.7
929	Q	27.9	Very low	31.1	Very low	193 Å²	193	126.2 Å²	126.2	90%	0.902	74%	0.736	S	S	*	*			trans	-59.1	140.6	158.6	-83.5	177.6	-32.5	0	0	111.4
930	L	23.8	Very low	30.2	Very low	179 Å²	179	130.5 Å²	130.5	94%	0.937	76%	0.757	S	S	*	*			trans	-72.1	123.2	172	-73.5	132.1	0	0	0	110.9
931	S	24.7	Very low	28.8	Very low	110 Å²	110	131.8 Å²	131.8	77%	0.769	76%	0.763	S	S	*	*			trans	-156.3	108	154.1	61.4	0	0	0	0	110.4
932	E	24	Very low	28	Very low	191 Å²	191	136.2 Å²	136.2	89%	0.893	78%	0.775	S	S	*	*			trans	27.6	160.7	130.8	-85.5	-158.2	158.8	0	0	123.8
933	P	39.7	Very low	27.5	Very low	115 Å²	115	132.9 Å²	132.9	75%	0.747	78%	0.78	S	S	*	*			trans	-104.1	159.8	-140	40.4	-34.8	0	0	0	114.2
934	A	21.8	Very low	26.7	Very low	101 Å²	101	136.2 Å²	136.2	84%	0.835	79%	0.791	S	S	*	*			trans	154.8	132.7	132.4	0	0	0	0	0	112.1
935	G	21.1	Very low	26.1	Very low	67 Å²	67	137 Å²	137	69%	0.691	80%	0.796	S	S	*	*			trans	94.1	139.3	133.6	0	0	0	0	0	119.1
936	V	21.4	Very low	25.6	Very low	139 Å²	139	136.5 Å²	136.5	84%	0.842	80%	0.8	S	S	*	*			trans	81.2	97.1	150.5	-163.4	0	0	0	0	114
937	A	21.2	Very low	25.3	Very low	92 Å²	92	139.2 Å²	139.2	76%	0.76	81%	0.812	S	S	*	*				65.9	129.8	78.9	0	0	0	0	0	114
938	A	23.5	Very low	24.8	Very low	89 Å²	89	135.3 Å²	135.3	74%	0.736	81%	0.808	S	S	*	*			trans	125.1	96.6	166.4	0	0	0	0	0	111.1
939	E	21.7	Very low	24.3	Very low	187 Å²	187	131.5 Å²	131.5	87%	0.874	81%	0.806	S	S	*	*				78.5	88.7	104.2	-77.7	-171.2	150	0	0	113.6
940	I	29.8	Very low	24	Very low	173 Å²	173	134.4 Å²	134.4	89%	0.887	81%	0.808	S	S	*	*			trans	-129.2	127.3	139.4	-62.4	-176.2	0	0	0	108.6
941	S	23	Very low	23.9	Very low	88 Å²	88	129.6 Å²	129.6	62%	0.615	80%	0.802	S	S	*	*			trans	-74.8	153.6	-168.3	62.1	0	0	0	0	114.8
942	R	23.4	Very low	24	Very low	248 Å²	248	131.2 Å²	131.2	94%	0.936	81%	0.807	S	S	*	*			trans	73.2	118.6	144.4	-72	170.1	-178.8	-165.3	1.8	118.7
943	G	23.5	Very low	23.8	Very low	69 Å²	69	126.1 Å²	126.1	71%	0.711	81%	0.807	S	S	*	*			trans	136.4	82.8	132.4	0	0	0	0	0	117.7
944	H	26.3	Very low	23.1	Very low	185 Å²	185	124.4 Å²	124.4	86%	0.856	81%	0.809	S	S	*	*			trans	83.9	103.6	146.8	-65.5	7.3	0	0	0	120
945	S	24.5	Very low	23.1	Very low	111 Å²	111	125.6 Å²	125.6	78%	0.776	81%	0.812	S	S	*	*			trans	-16.1	130.4	135.4	49.7	0	0	0	0	114.1
946	G	21.4	Very low	23.4	Very low	73 Å²	73	126.1 Å²	126.1	75%	0.753	82%	0.817	S	S	*	*				88.3	84.8	56.6	0	0	0	0	0	109.3
947	V	25.1	Very low	23.3	Very low	146 Å²	146	130 Å²	130	89%	0.885	82%	0.818	S	S	*	*			trans	-134.2	107.5	161	178.6	0	0	0	0	108.1
948	A	22.6	Very low	23.5	Very low	83 Å²	83	134.6 Å²	134.6	69%	0.686	82%	0.824	S	S	*	*			trans	-78.3	148.6	167.7	0	0	0	0	0	111
949	C	19.8	Very low	23.7	Very low	123 Å²	123	135.8 Å²	135.8	83%	0.831	82%	0.824	S	S	*	*			trans	34.6	117.1	147.4	-56.7	0	0	0	0	119.3
950	R	21.8	Very low	24	Very low	253 Å²	253	130.3 Å²	130.3	96%	0.955	82%	0.818	S	S	*	*			trans	-158.8	125.4	132.5	-109.1	171.7	-164.8	-154	3.7	110.6
951	G	20.8	Very low	23.8	Very low	78 Å²	78	130 Å²	130	80%	0.804	82%	0.818	S	S	*	*			trans	-75.5	154.4	170.6	0	0	0	0	0	111.9
952	T	28	Very low	24.4	Very low	144 Å²	144	131.1 Å²	131.1	88%	0.883	82%	0.823	S	S	*	*			trans	-129.3	109.3	163.1	48.2	0	0	0	0	107.6
953	G	20.3	Very low	24.5	Very low	85 Å²	85	124.4 Å²	124.4	88%	0.876	82%	0.821	S	S	*	*			trans	-69.9	152	160	0	0	0	0	0	110.3
954	G	24.9	Very low	24.6	Very low	78 Å²	78	124.7 Å²	124.7	80%	0.804	82%	0.824	S	S	*	*			trans	-162.2	85.7	176.2	0	0	0	0	0	109.5
955	S	22	Very low	24.4	Very low	127 Å²	127	127.8 Å²	127.8	89%	0.888	83%	0.829	S	S	*	*			trans	-64.7	135.4	168.3	53	0	0	0	0	111.3
956	G	26.3	Very low	24.4	Very low	78 Å²	78	133.5 Å²	133.5	80%	0.804	83%	0.834	S	S	*	*			trans	-142.5	79.5	168.6	0	0	0	0	0	110.3
957	Y	20	Very low	25.2	Very low	221 Å²	221	136.2 Å²	136.2	87%	0.867	84%	0.838	S	S	*	*			trans	-92.5	121.7	170	-136.4	-94.6	0	0	0	107.3
958	H	25.7	Very low	25.2	Very low	188 Å²	188	133.8 Å²	133.8	87%	0.87	83%	0.834	S	S	*	*			trans	-124.8	114.1	169	-104.1	-60.1	0	0	0	109.4
959	P	27.9	Very low	25.4	Very low	114 Å²	114	137.5 Å²	137.5	74%	0.74	84%	0.842	S	S	*	*			trans	-96.1	133.8	168.2	33.8	-25.5	0	0	0	110.7
960	G	27	Very low	25.8	Very low	72 Å²	72	141.2 Å²	141.2	74%	0.742	85%	0.847	S	S	*	*			trans	-169.4	93.8	169.1	0	0	0	0	0	108.7
961	N	26.1	Very low	26	Very low	167 Å²	167	132.5 Å²	132.5	89%	0.893	84%	0.836	S	S	*	*				87.6	139.4	95.2	-143.9	34.1	0	0	0	112.9
962	P	34.4	Very low	26.5	Very low	110 Å²	110	132.5 Å²	132.5	71%	0.714	84%	0.836	S	S	*	*			trans	-100.6	179.7	-155.7	41.7	-36.5	0	0	0	113.8
963	A	25.3	Very low	27	Very low	108 Å²	108	130.2 Å²	130.2	89%	0.893	83%	0.832	S	S	*	*			trans	103.4	110.1	168.1	0	0	0	0	0	115.3
964	G	25.6	Very low	27.6	Very low	75 Å²	75	134.2 Å²	134.2	77%	0.773	83%	0.83	S	S	*	*			trans	156.9	39.9	169.5	0	0	0	0	0	116.4	R966	G964-R966 PolarHBondContact O-N 3.24Å
965	Y	22.6	Very low	28.3	Very low	250 Å²	250	141.5 Å²	141.5	98%	0.98	83%	0.833	S	S	*	*			trans	-81.8	94.2	168.5	-106.8	-91.8	0	0	0	109.6
966	R	24.6	Very low	29.2	Very low	230 Å²	230	139.8 Å²	139.8	87%	0.868	82%	0.82	S	S	*	*			trans	-131.2	144.2	153.5	-92.2	-168.5	177.6	-175.8	0.7	109	G964	G964-R966 PolarHBondContact O-N 3.24Å
967	P	37.4	Very low	29.8	Very low	130 Å²	130	146 Å²	146	84%	0.844	82%	0.819	S	S	*	*			trans	-88.2	135.8	-154.2	34.4	-31.9	0	0	0	111
968	A	26.9	Very low	30.9	Very low	96 Å²	96	138 Å²	138	79%	0.793	80%	0.803	S	S	*	*			trans	-139	118.1	162.9	0	0	0	0	0	108.8
969	N	25.9	Very low	31.9	Very low	160 Å²	160	135 Å²	135	86%	0.856	79%	0.793	S	S	*	*			trans	-42.2	150.6	147.7	-76.7	-32.6	0	0	0	109.8
970	E	28.2	Very low	33	Very low	201 Å²	201	134.2 Å²	134.2	94%	0.939	78%	0.782	S	S	*	*			trans	105.7	88.2	176.4	-59.9	177.8	-172.2	0	0	114.5
971	G	26.4	Very low	34.1	Very low	71 Å²	71	133.8 Å²	133.8	73%	0.732	77%	0.771	S	S	*	*			trans	-177.3	26.2	170.9	0	0	0	0	0	114.7	A973	G971-A973 VanDerWaalsContact C-N 3.31Å; G971-A973 PolarHBondContact O-N 3.32Å
972	G	30.4	Very low	35.1	Very low	78 Å²	78	132.2 Å²	132.2	80%	0.804	76%	0.762	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.5	-3	-176.5	0	0	0	0	0	115.9
973	A	38.3	Very low	35.8	Very low	95 Å²	95	133.4 Å²	133.4	79%	0.785	76%	0.762	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.4	-7	-173.1	0	0	0	0	0	115.2	G971	G971-A973 VanDerWaalsContact C-N 3.31Å; G971-A973 PolarHBondContact O-N 3.32Å
974	M	32.8	Very low	36.9	Very low	169 Å²	169	134.3 Å²	134.3	83%	0.833	75%	0.75	S	S	*	*	S	Bend	trans	-99.1	-7.9	-175.4	-142.3	179.2	-85.1	0	0	115.2
975	R	39.9	Very low	37.8	Very low	231 Å²	231	141.4 Å²	141.4	87%	0.872	75%	0.754	S	S	*	*	S	Bend	trans	-86.2	-10.3	-179.1	-92.3	-176.1	172.5	-174.4	-2.6	116.2
976	C	40.8	Very low	38.8	Very low	92 Å²	92	132.1 Å²	132.1	62%	0.622	73%	0.734	S	S	*	*	S	Bend	trans	-88.4	-14.9	179.2	-75.9	0	0	0	0	114.7	I980	C976-I980 WeakPolarHBondContact O-CD1 3.24Å; C976-I980 VanDerWaalsContact O-CG1 3.24Å; C976-I980 WeakPolarHBondContact O-CG1 3.3Å
977	R	39.7	Very low	39.8	Very low	209 Å²	209	130.2 Å²	130.2	79%	0.789	74%	0.735	S	S	*	*	H	α-helix	trans	-74	-29.4	-177.4	-73.9	-174.5	171.3	-176	-2.5	114
978	G	42.6	Very low	40.1	Very low	51 Å²	51	129.2 Å²	129.2	53%	0.526	73%	0.731	S	S	.	*	H	α-helix	trans	-71.3	-37.9	-178.3	0	0	0	0	0	114.4
979	L	47.3	Very low	40.9	Very low	126 Å²	126	130.8 Å²	130.8	66%	0.66	73%	0.731	S	S	*	*	H	α-helix	trans	-74.4	-27	178.9	-100.3	134.7	0	0	0	113.1	L982 L983	L979-L982 PolarHBondContact O-N 3.18Å; L979-L983 PolarHBondContact O-N 3.02Å
980	I	50.1	Low	41.8	Very low	98 Å²	98	128 Å²	128	50%	0.503	73%	0.73	S	S	.	*	H	α-helix	trans	-68.9	-36.5	177.1	-66.6	167.5	0	0	0	111.4	C976 L982 L983 I984	C976-I980 WeakPolarHBondContact O-CD1 3.24Å; C976-I980 VanDerWaalsContact O-CG1 3.24Å; C976-I980 WeakPolarHBondContact O-CG1 3.3Å; I980-L982 VanDerWaalsContact C-N 3.31Å; I980-L982 PolarHBondContact O-N 2.96Å; I980-L983 PolarHBondContact O-N 3.27Å; I980-I984 HydrophobicContact CG2-CD1 4.22Å
981	A	50	Low	42.7	Very low	63 Å²	63	123.2 Å²	123.2	52%	0.521	72%	0.724	S	S	.	*	H	α-helix	trans	-65.9	-33.6	177.5	0	0	0	0	0	112.5
982	L	48.3	Very low	43.5	Very low	133 Å²	133	123.7 Å²	123.7	70%	0.696	72%	0.721	S	S	*	*	H	α-helix	trans	-70.5	-33.7	179	-92.2	152.5	0	0	0	113.2	L979 I980	L979-L982 PolarHBondContact O-N 3.18Å; I980-L982 VanDerWaalsContact C-N 3.31Å; I980-L982 PolarHBondContact O-N 2.96Å
983	L	48.9	Very low	44.6	Very low	136 Å²	136	127.4 Å²	127.4	71%	0.712	72%	0.723	S	S	*	*	H	α-helix	trans	-77	-27.1	-179.1	-78.9	163.3	0	0	0	113.4	L979 I980	L979-L983 PolarHBondContact O-N 3.02Å; I980-L983 PolarHBondContact O-N 3.27Å
984	I	49.1	Very low	45.5	Very low	127 Å²	127	130.2 Å²	130.2	65%	0.651	72%	0.724	S	S	*	*	H	α-helix	trans	-78.1	-26.3	178.8	-61.5	172.6	0	0	0	111.6	I980	I980-I984 HydrophobicContact CG2-CD1 4.22Å
985	W	44.1	Very low	46.4	Very low	224 Å²	224	124.5 Å²	124.5	85%	0.848	71%	0.708	S	S	*	*	G	3₁₀ helix	trans	-83	-7.5	178.4	-89.3	12.5	0	0	0	115.2	Q987	W985-Q987 PolarHBondContact O-N 3.16Å
986	G	44.1	Very low	47	Very low	55 Å²	55	119.8 Å²	119.8	57%	0.567	71%	0.706	S	S	*	*	G	3₁₀ helix	trans	-77.2	-5.2	-176.5	0	0	0	0	0	116.9
987	Q	44.7	Very low	46.8	Very low	190 Å²	190	127.3 Å²	127.3	89%	0.888	72%	0.721	S	S	*	*	G	3₁₀ helix	trans	-95.6	17.4	-172.7	-74.1	-105.1	-38.5	0	0	114.9	W985	W985-Q987 PolarHBondContact O-N 3.16Å
988	S	42.7	Very low	47.3	Very low	108 Å²	108	120.4 Å²	120.4	76%	0.755	72%	0.715	S	S	*	*			trans	-135.9	58.4	175.9	56.3	0	0	0	0	113.3
989	V	43.7	Very low	47.6	Very low	130 Å²	130	125.1 Å²	125.1	79%	0.788	73%	0.728	S	S	*	*			trans	-103.8	96.6	162.9	-176.8	0	0	0	0	107.8	A991	V989-A991 PolarHBondContact O-N 2.92Å
990	A	45.8	Very low	47.7	Very low	102 Å²	102	126.4 Å²	126.4	84%	0.843	74%	0.735	S	S	*	*			trans	-74.4	101.4	170	0	0	0	0	0	108.4
991	A	47.2	Very low	47.5	Very low	99 Å²	99	132.3 Å²	132.3	82%	0.818	75%	0.751	S	S	*	*			trans	-74.9	124.8	168.9	0	0	0	0	0	109	V989	V989-A991 PolarHBondContact O-N 2.92Å
992	A	42.8	Very low	47.7	Very low	81 Å²	81	134.1 Å²	134.1	67%	0.669	76%	0.757	S	S	*	*			trans	-103.1	129.1	171.5	0	0	0	0	0	109.5	L994	A992-L994 PolarHBondContact O-N 3.24Å
993	D	54.4	Low	48.5	Very low	157 Å²	157	133.8 Å²	133.8	84%	0.84	76%	0.761	S	S	*	*			trans	-74.5	111.8	169.8	-178.9	2.7	0	0	0	108.8	G995	D993-G995 VanDerWaalsContact C-N 3.31Å; D993-G995 PolarHBondContact OD1-N 2.97Å
994	L	57.5	Low	49.7	Very low	153 Å²	153	136.1 Å²	136.1	80%	0.801	77%	0.765	S	S	*	*			trans	-87.1	4.5	-174.3	-68.7	174.4	0	0	0	113.8	A992	A992-L994 PolarHBondContact O-N 3.24Å
995	G	51	Low	50.3	Low	49 Å²	49	137 Å²	137	51%	0.505	77%	0.766	S	S	.	*			trans	70	164.6	178.7	0	0	0	0	0	114.2	D993	D993-G995 VanDerWaalsContact C-N 3.31Å; D993-G995 PolarHBondContact OD1-N 2.97Å
996	T	52	Low	51.5	Low	133 Å²	133	130.6 Å²	130.6	82%	0.816	75%	0.754	S	S	*	*			trans	-91	125.6	-169.3	-34.8	0	0	0	0	111.5
997	W	38.1	Very low	53.2	Low	250 Å²	250	132.2 Å²	132.2	95%	0.947	75%	0.749	S	S	*	*			trans	-108.2	113.8	176.9	-86.4	46	0	0	0	111.1
998	G	48.2	Very low	54.9	Low	64 Å²	64	129.4 Å²	129.4	66%	0.66	74%	0.738	S	S	*	*	S	Bend	trans	128.5	143.5	168	0	0	0	0	0	114.3	L1000	G998-L1000 PolarHBondContact O-N 2.99Å
999	D	50.4	Low	56.6	Low	149 Å²	149	130 Å²	130	80%	0.797	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-70.3	116.4	178.8	-66.8	-37.5	0	0	0	111
1000	L	49.7	Very low	58.4	Low	154 Å²	154	126.8 Å²	126.8	81%	0.806	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-81.9	118.1	171.8	-75.3	164.4	0	0	0	109.6	G998	G998-L1000 PolarHBondContact O-N 2.99Å
1001	W	44.1	Very low	60.2	Low	222 Å²	222	123.6 Å²	123.6	84%	0.841	68%	0.682	S	S	*	*	P	Polyproline II helix	trans	-93.7	118.6	166.6	-62.6	89.2	0	0	0	108.9
1002	P	54.9	Low	62	Low	100 Å²	100	122.9 Å²	122.9	65%	0.649	66%	0.664	S	S	*	*	P	Polyproline II helix	trans	-66.1	137.3	177.2	25.8	-32	0	0	0	110.2	K1004	P1002-K1004 PolarHBondContact O-N 2.85Å; P1002-K1004 VanDerWaalsContact O-N 3.13Å
1003	V	65.9	Low	64	Low	127 Å²	127	124.2 Å²	124.2	77%	0.77	66%	0.658	S	S	*	*			trans	-61	113	169	-179	0	0	0	0	107.3
1004	K	73	Confident	65.4	Low	185 Å²	185	122.7 Å²	122.7	80%	0.804	65%	0.645	S	S	*	*			trans	-87.2	-19.9	-177.4	-79.8	-173.2	176.1	-180	0	112.4	P1002	P1002-K1004 PolarHBondContact O-N 2.85Å; P1002-K1004 VanDerWaalsContact O-N 3.13Å
1005	E	62	Low	66.7	Low	144 Å²	144	124 Å²	124	67%	0.673	64%	0.64	S	S	*	*	S	Bend	trans	-76.4	127.3	-179.1	-63.1	77.2	-172.3	0	0	110.8
1006	P	68.7	Low	68.2	Low	91 Å²	91	125.4 Å²	125.4	59%	0.591	64%	0.635	S	S	*	*	P	Polyproline II helix	trans	-66.7	145.4	174.5	25.6	-31.2	0	0	0	111.2	M1008 V1011	P1006-M1008 PolarHBondContact O-N 2.79Å; P1006-V1011 HydrophobicContact CB-CG2 4.09Å; P1006-V1011 HydrophobicContact CG-CG2 3.98Å
1007	D	80.2	Confident	69.7	Low	89 Å²	89	121.8 Å²	121.8	48%	0.476	61%	0.613	S	S	.	*	P	Polyproline II helix	trans	-56.4	133	174.8	162.8	62.2	0	0	0	111.7	L1009 T1010 V1011	D1007-L1009 VanDerWaalsContact C-N 3.31Å; D1007-L1009 PolarHBondContact O-N 3.33Å; D1007-L1009 VanDerWaalsContact OD2-CB 3.24Å; D1007-L1009 WeakPolarHBondContact OD2-CB 3.33Å; D1007-L1009 PolarHBondContact OD2-N 3.43Å; D1007-T1010 WeakPolarHBondContact O-CA 3.33Å; D1007-T1010 VanDerWaalsContact O-CB 3.28Å; D1007-T1010 WeakPolarHBondContact O-CB 3.39Å; D1007-T1010 PolarHBondContact O-N 2.95Å; D1007-T1010 VanDerWaalsContact O-N 3.1Å; D1007-T1010 WeakPolarHBondContact OD2-CB 3.31Å; D1007-T1010 PolarHBondContact OD2-N 3.45Å; D1007-T1010 PolarHBondContact OD2-OG1 3.39Å; D1007-V1011 WeakPolarHBondContact O-CG2 3.44Å; D1007-V1011 PolarHBondContact O-N 3.39Å
1008	M	80	Confident	71.9	Confident	131 Å²	131	112.4 Å²	112.4	65%	0.645	59%	0.589	S	S	*	*	H	α-helix	trans	-65.2	-33	-175.3	-81.1	-65.8	-64.3	0	0	112.9	P1006 T1010 V1011 I1012	P1006-M1008 PolarHBondContact O-N 2.79Å; M1008-T1010 VanDerWaalsContact C-N 3.35Å; M1008-V1011 PolarHBondContact O-N 3.36Å; M1008-I1012 WeakPolarHBondContact O-CB 3.28Å; M1008-I1012 VanDerWaalsContact O-CG1 3.24Å; M1008-I1012 WeakPolarHBondContact O-CG1 3.49Å; M1008-I1012 PolarHBondContact O-N 2.93Å
1009	L	78.6	Confident	73.6	Confident	119 Å²	119	111.2 Å²	111.2	62%	0.623	57%	0.567	S	S	*	*	H	α-helix	trans	-64.5	-43.4	173.1	-98	153.3	0	0	0	110.4	D1007 V1011 I1012 M1013	D1007-L1009 VanDerWaalsContact C-N 3.31Å; D1007-L1009 PolarHBondContact O-N 3.33Å; D1007-L1009 VanDerWaalsContact OD2-CB 3.24Å; D1007-L1009 WeakPolarHBondContact OD2-CB 3.33Å; D1007-L1009 PolarHBondContact OD2-N 3.43Å; L1009-V1011 VanDerWaalsContact C-N 3.31Å; L1009-V1011 PolarHBondContact O-N 2.96Å; L1009-I1012 PolarHBondContact O-N 2.92Å; L1009-M1013 VanDerWaalsContact O-CB 3.32Å; L1009-M1013 WeakPolarHBondContact O-CB 3.47Å; L1009-M1013 VanDerWaalsContact O-CG 3.24Å; L1009-M1013 WeakPolarHBondContact O-CG 3.47Å; L1009-M1013 PolarHBondContact O-N 3.35Å
1010	T	81.1	Confident	75	Confident	64 Å²	64	110.9 Å²	110.9	39%	0.393	56%	0.561	S	S	.	*	H	α-helix	trans	-59.5	-42	173.9	-55.9	0	0	0	0	110.9	D1007 M1008 Q1014	D1007-T1010 WeakPolarHBondContact O-CA 3.33Å; D1007-T1010 VanDerWaalsContact O-CB 3.28Å; D1007-T1010 WeakPolarHBondContact O-CB 3.39Å; D1007-T1010 PolarHBondContact O-N 2.95Å; D1007-T1010 VanDerWaalsContact O-N 3.1Å; D1007-T1010 WeakPolarHBondContact OD2-CB 3.31Å; D1007-T1010 PolarHBondContact OD2-N 3.45Å; D1007-T1010 PolarHBondContact OD2-OG1 3.39Å; M1008-T1010 VanDerWaalsContact C-N 3.35Å; T1010-Q1014 VanDerWaalsContact O-CB 3.31Å; T1010-Q1014 WeakPolarHBondContact O-CB 3.28Å; T1010-Q1014 VanDerWaalsContact O-CG 3.23Å; T1010-Q1014 WeakPolarHBondContact O-CG 3.38Å; T1010-Q1014 PolarHBondContact O-N 3.48Å
1011	V	84.3	Confident	76.4	Confident	34 Å²	34	111.2 Å²	111.2	21%	0.206	56%	0.558	C	S	.	*	H	α-helix	trans	-65.8	-43	175.1	175.9	0	0	0	0	112.1	P1006 D1007 M1008 L1009 R1015	P1006-V1011 HydrophobicContact CB-CG2 4.09Å; P1006-V1011 HydrophobicContact CG-CG2 3.98Å; D1007-V1011 WeakPolarHBondContact O-CG2 3.44Å; D1007-V1011 PolarHBondContact O-N 3.39Å; M1008-V1011 PolarHBondContact O-N 3.36Å; L1009-V1011 VanDerWaalsContact C-N 3.31Å; L1009-V1011 PolarHBondContact O-N 2.96Å; V1011-R1015 WeakPolarHBondContact O-CB 3.44Å; V1011-R1015 WeakPolarHBondContact O-CG 3.45Å; V1011-R1015 PolarHBondContact O-N 2.92Å
1012	I	84.2	Confident	78.3	Confident	84 Å²	84	103.6 Å²	103.6	43%	0.431	54%	0.539	S	S	.	.	H	α-helix	trans	-63.6	-46.7	177	-70.5	164.4	0	0	0	110.3	M1008 L1009 R1015 L1016	M1008-I1012 WeakPolarHBondContact O-CB 3.28Å; M1008-I1012 VanDerWaalsContact O-CG1 3.24Å; M1008-I1012 WeakPolarHBondContact O-CG1 3.49Å; M1008-I1012 PolarHBondContact O-N 2.93Å; L1009-I1012 PolarHBondContact O-N 2.92Å; I1012-R1015 PolarHBondContact O-N 3.22Å; I1012-L1016 HydrophobicContact CG2-CD1 3.97Å; I1012-L1016 HydrophobicContact CG2-CG 4.46Å; I1012-L1016 WeakPolarHBondContact O-CG 3.48Å; I1012-L1016 PolarHBondContact O-N 2.8Å
1013	M	84.8	Confident	79.5	Confident	109 Å²	109	100.5 Å²	100.5	54%	0.537	53%	0.525	S	S	.	.	H	α-helix	trans	-62	-46.8	178.2	-73.4	-63.1	-66.9	0	0	110.9	L1009 R1015 L1016 T1017	L1009-M1013 VanDerWaalsContact O-CB 3.32Å; L1009-M1013 WeakPolarHBondContact O-CB 3.47Å; L1009-M1013 VanDerWaalsContact O-CG 3.24Å; L1009-M1013 WeakPolarHBondContact O-CG 3.47Å; L1009-M1013 PolarHBondContact O-N 3.35Å; M1013-R1015 VanDerWaalsContact C-N 3.31Å; M1013-R1015 PolarHBondContact O-N 2.88Å; M1013-L1016 PolarHBondContact O-N 2.98Å; M1013-T1017 WeakPolarHBondContact O-CB 3.21Å; M1013-T1017 PolarHBondContact O-N 3.45Å; M1013-T1017 PolarHBondContact O-OG1 3.02Å
1014	Q	85	Confident	80.1	Confident	125 Å²	125	98.3 Å²	98.3	58%	0.584	51%	0.507	S	S	*	.	H	α-helix	trans	-59	-40.2	174.7	-77.3	175.8	-4.4	0	0	112.3	T1010 A1018	T1010-Q1014 VanDerWaalsContact O-CB 3.31Å; T1010-Q1014 WeakPolarHBondContact O-CB 3.28Å; T1010-Q1014 VanDerWaalsContact O-CG 3.23Å; T1010-Q1014 WeakPolarHBondContact O-CG 3.38Å; T1010-Q1014 PolarHBondContact O-N 3.48Å; Q1014-A1018 VanDerWaalsContact O-CB 3.26Å; Q1014-A1018 WeakPolarHBondContact O-CB 3.42Å; Q1014-A1018 PolarHBondContact O-N 3.18Å
1015	R	85.4	Confident	80.4	Confident	181 Å²	181	93 Å²	93	68%	0.683	49%	0.485	S	S	*	.	H	α-helix	trans	-65.9	-41.9	175.2	-77	-177.6	178.8	-165.5	0.9	112.4	V1011 I1012 M1013 A1018 L1019	V1011-R1015 WeakPolarHBondContact O-CB 3.44Å; V1011-R1015 WeakPolarHBondContact O-CG 3.45Å; V1011-R1015 PolarHBondContact O-N 2.92Å; I1012-R1015 PolarHBondContact O-N 3.22Å; M1013-R1015 VanDerWaalsContact C-N 3.31Å; M1013-R1015 PolarHBondContact O-N 2.88Å; R1015-A1018 PolarHBondContact O-N 2.9Å; R1015-L1019 WeakPolarHBondContact O-CB 3.32Å; R1015-L1019 VanDerWaalsContact O-CG 3.31Å; R1015-L1019 WeakPolarHBondContact O-CG 3.45Å; R1015-L1019 PolarHBondContact O-N 3.39Å
1016	L	82.6	Confident	81.2	Confident	79 Å²	79	87.8 Å²	87.8	41%	0.414	47%	0.471	S	S	.	.	H	α-helix	trans	-64	-46.2	176.1	-74.1	170.2	0	0	0	111	I1012 M1013 A1018 L1019 E1020	I1012-L1016 HydrophobicContact CG2-CD1 3.97Å; I1012-L1016 HydrophobicContact CG2-CG 4.46Å; I1012-L1016 WeakPolarHBondContact O-CG 3.48Å; I1012-L1016 PolarHBondContact O-N 2.8Å; M1013-L1016 PolarHBondContact O-N 2.98Å; L1016-A1018 VanDerWaalsContact C-N 3.32Å; L1016-A1018 PolarHBondContact O-N 3.19Å; L1016-L1019 WeakPolarHBondContact O-CB 3.41Å; L1016-L1019 PolarHBondContact O-N 3.44Å; L1016-E1020 WeakPolarHBondContact O-CB 3.42Å; L1016-E1020 PolarHBondContact O-N 3.46Å
1017	T	83.1	Confident	81.7	Confident	57 Å²	57	91.7 Å²	91.7	35%	0.35	47%	0.474	S	S	.	.	H	α-helix	trans	-62.2	-39.3	175.8	-52.9	0	0	0	0	111.6	M1013 E1020 Q1021	M1013-T1017 WeakPolarHBondContact O-CB 3.21Å; M1013-T1017 PolarHBondContact O-N 3.45Å; M1013-T1017 PolarHBondContact O-OG1 3.02Å; T1017-E1020 PolarHBondContact O-N 3.29Å; T1017-Q1021 HydrophobicContact CG2-CG 4.41Å; T1017-Q1021 WeakPolarHBondContact O-CB 3.24Å; T1017-Q1021 VanDerWaalsContact O-CG 3.3Å; T1017-Q1021 WeakPolarHBondContact O-CG 3.46Å; T1017-Q1021 PolarHBondContact O-N 3.01Å
1018	A	84.4	Confident	81.9	Confident	53 Å²	53	92.6 Å²	92.6	44%	0.438	47%	0.473	S	S	.	.	H	α-helix	trans	-66.6	-38.5	174.5	0	0	0	0	0	112.7	Q1014 R1015 L1016 E1020 S1022	Q1014-A1018 VanDerWaalsContact O-CB 3.26Å; Q1014-A1018 WeakPolarHBondContact O-CB 3.42Å; Q1014-A1018 PolarHBondContact O-N 3.18Å; R1015-A1018 PolarHBondContact O-N 2.9Å; L1016-A1018 VanDerWaalsContact C-N 3.32Å; L1016-A1018 PolarHBondContact O-N 3.19Å; A1018-E1020 VanDerWaalsContact C-N 3.33Å; A1018-S1022 VanDerWaalsContact O-CB 3.28Å; A1018-S1022 WeakPolarHBondContact O-CB 3.15Å; A1018-S1022 PolarHBondContact O-N 3.11Å; A1018-S1022 PolarHBondContact O-OG 2.9Å
1019	L	83.5	Confident	81.8	Confident	39 Å²	39	90.4 Å²	90.4	20%	0.204	46%	0.463	C	S	.	.	H	α-helix	trans	-65.5	-36.3	173.5	-76.4	169.8	0	0	0	112	R1015 L1016 S1022 G1023 E1024 M1025	R1015-L1019 WeakPolarHBondContact O-CB 3.32Å; R1015-L1019 VanDerWaalsContact O-CG 3.31Å; R1015-L1019 WeakPolarHBondContact O-CG 3.45Å; R1015-L1019 PolarHBondContact O-N 3.39Å; L1016-L1019 WeakPolarHBondContact O-CB 3.41Å; L1016-L1019 PolarHBondContact O-N 3.44Å; L1019-S1022 WeakPolarHBondContact CA-OG 3.23Å; L1019-S1022 PolarHBondContact O-OG 3.44Å; L1019-S1022 VanDerWaalsContact O-OG 3.11Å; L1019-G1023 PolarHBondContact O-N 3.01Å; L1019-E1024 HydrophobicContact CD2-CB 3.88Å; L1019-E1024 HydrophobicContact CD2-CG 3.96Å; L1019-E1024 VanDerWaalsContact CD2-OE2 3.32Å; L1019-E1024 WeakPolarHBondContact CD2-OE2 3.4Å; L1019-E1024 PolarHBondContact O-N 3.37Å; L1019-E1024 VanDerWaalsContact O-N 3.11Å; L1019-M1025 HydrophobicContact CB-CB 4.21Å; L1019-M1025 WeakPolarHBondContact O-CB 3.22Å; L1019-M1025 PolarHBondContact O-N 3.35Å
1020	E	79	Confident	82	Confident	141 Å²	141	89 Å²	89	66%	0.659	46%	0.456	S	S	*	.	H	α-helix	trans	-69.9	-49.9	176.3	-170	172.5	-155.3	0	0	111.3	L1016 T1017 A1018 S1022 G1023	L1016-E1020 WeakPolarHBondContact O-CB 3.42Å; L1016-E1020 PolarHBondContact O-N 3.46Å; T1017-E1020 PolarHBondContact O-N 3.29Å; A1018-E1020 VanDerWaalsContact C-N 3.33Å; E1020-S1022 VanDerWaalsContact C-N 3.34Å; E1020-S1022 PolarHBondContact O-N 3.26Å; E1020-G1023 PolarHBondContact O-N 2.89Å
1021	Q	80.1	Confident	82.1	Confident	161 Å²	161	88.5 Å²	88.5	75%	0.752	46%	0.458	S	S	*	.	H	α-helix	trans	-63.1	-35.7	178.8	-73.8	178.3	-0.4	0	0	113.4	T1017 G1023	T1017-Q1021 HydrophobicContact CG2-CG 4.41Å; T1017-Q1021 WeakPolarHBondContact O-CB 3.24Å; T1017-Q1021 VanDerWaalsContact O-CG 3.3Å; T1017-Q1021 WeakPolarHBondContact O-CG 3.46Å; T1017-Q1021 PolarHBondContact O-N 3.01Å; Q1021-G1023 PolarHBondContact O-N 3.22Å
1022	S	83.8	Confident	81.8	Confident	63 Å²	63	91.9 Å²	91.9	44%	0.441	47%	0.47	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-7.9	176	59.7	0	0	0	0	113.8	A1018 L1019 E1020 E1024 R1027	A1018-S1022 VanDerWaalsContact O-CB 3.28Å; A1018-S1022 WeakPolarHBondContact O-CB 3.15Å; A1018-S1022 PolarHBondContact O-N 3.11Å; A1018-S1022 PolarHBondContact O-OG 2.9Å; L1019-S1022 WeakPolarHBondContact CA-OG 3.23Å; L1019-S1022 PolarHBondContact O-OG 3.44Å; L1019-S1022 VanDerWaalsContact O-OG 3.11Å; E1020-S1022 VanDerWaalsContact C-N 3.34Å; E1020-S1022 PolarHBondContact O-N 3.26Å; S1022-E1024 PolarHBondContact O-N 3.35Å; S1022-E1024 WeakPolarHBondContact OG-CB 3.34Å; S1022-E1024 PolarHBondContact OG-N 3.26Å; S1022-R1027 PolarHBondContact O-NH2 3.17Å
1023	G	80.5	Confident	81.5	Confident	35 Å²	35	93.3 Å²	93.3	36%	0.361	47%	0.473	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.2	7.3	-171.9	0	0	0	0	0	114.1	L1019 E1020 Q1021 M1025 R1027	L1019-G1023 PolarHBondContact O-N 3.01Å; E1020-G1023 PolarHBondContact O-N 2.89Å; Q1021-G1023 PolarHBondContact O-N 3.22Å; G1023-M1025 VanDerWaalsContact C-N 3.31Å; G1023-R1027 PolarHBondContact O-N 3.18Å
1024	E	77.7	Confident	81.3	Confident	80 Å²	80	93.9 Å²	93.9	37%	0.374	48%	0.475	S	S	.	.	H	α-helix	trans	-68.6	-32.3	176.3	-164.5	-172.6	150.5	0	0	111.2	L1019 S1022 R1027 K1028	L1019-E1024 HydrophobicContact CD2-CB 3.88Å; L1019-E1024 HydrophobicContact CD2-CG 3.96Å; L1019-E1024 VanDerWaalsContact CD2-OE2 3.32Å; L1019-E1024 WeakPolarHBondContact CD2-OE2 3.4Å; L1019-E1024 PolarHBondContact O-N 3.37Å; L1019-E1024 VanDerWaalsContact O-N 3.11Å; S1022-E1024 PolarHBondContact O-N 3.35Å; S1022-E1024 WeakPolarHBondContact OG-CB 3.34Å; S1022-E1024 PolarHBondContact OG-N 3.26Å; E1024-R1027 PolarHBondContact O-N 3.11Å; E1024-K1028 PolarHBondContact O-N 3.46Å; E1024-K1028 WeakPolarHBondContact OE1-CE 3.45Å; E1024-K1028 IonicContact OE1-NZ 2.67Å; E1024-K1028 PolarHBondContact OE1-NZ 3.3Å
1025	M	79.2	Confident	80.9	Confident	73 Å²	73	94.3 Å²	94.3	36%	0.36	47%	0.471	S	S	.	.	H	α-helix	trans	-60.4	-47	176.3	-171.2	64.6	178	0	0	111.8	L1019 G1023 K1028 M1029	L1019-M1025 HydrophobicContact CB-CB 4.21Å; L1019-M1025 WeakPolarHBondContact O-CB 3.22Å; L1019-M1025 PolarHBondContact O-N 3.35Å; G1023-M1025 VanDerWaalsContact C-N 3.31Å; M1025-K1028 PolarHBondContact O-N 2.79Å; M1025-M1029 WeakPolarHBondContact O-CB 3.48Å; M1025-M1029 PolarHBondContact O-N 2.81Å
1026	G	79	Confident	80.5	Confident	36 Å²	36	88.8 Å²	88.8	37%	0.371	46%	0.457	S	S	.	.	H	α-helix	trans	-58.2	-49.6	174.8	0	0	0	0	0	111.3	K1028 M1029 D1030	G1026-K1028 VanDerWaalsContact C-N 3.34Å; G1026-K1028 PolarHBondContact O-N 3.13Å; G1026-M1029 WeakPolarHBondContact O-CB 3.46Å; G1026-M1029 PolarHBondContact O-N 3Å; G1026-M1029 VanDerWaalsContact O-N 3.12Å; G1026-D1030 PolarHBondContact O-N 2.85Å
1027	R	79.5	Confident	80.2	Confident	173 Å²	173	89.9 Å²	89.9	65%	0.653	46%	0.463	S	S	*	.	H	α-helix	trans	-57.7	-41.5	176.4	-78.8	-177.3	-92.1	169.6	-7.9	113.4	S1022 G1023 E1024 A1031	S1022-R1027 PolarHBondContact O-NH2 3.17Å; G1023-R1027 PolarHBondContact O-N 3.18Å; E1024-R1027 PolarHBondContact O-N 3.11Å; R1027-A1031 VanDerWaalsContact O-CB 3.3Å; R1027-A1031 WeakPolarHBondContact O-CB 3.42Å; R1027-A1031 PolarHBondContact O-N 2.73Å
1028	K	83.4	Confident	80	Confident	107 Å²	107	94.5 Å²	94.5	47%	0.465	47%	0.474	S	S	.	.	H	α-helix	trans	-67.7	-38.5	176.3	-78.4	179.8	179.7	162.1	0	112.3	E1024 M1025 G1026 F1032	E1024-K1028 PolarHBondContact O-N 3.46Å; E1024-K1028 WeakPolarHBondContact OE1-CE 3.45Å; E1024-K1028 IonicContact OE1-NZ 2.67Å; E1024-K1028 PolarHBondContact OE1-NZ 3.3Å; M1025-K1028 PolarHBondContact O-N 2.79Å; G1026-K1028 VanDerWaalsContact C-N 3.34Å; G1026-K1028 PolarHBondContact O-N 3.13Å; K1028-F1032 WeakPolarHBondContact O-CB 3.46Å; K1028-F1032 PolarHBondContact O-N 2.57Å
1029	M	78.6	Confident	79.7	Confident	86 Å²	86	95.5 Å²	95.5	42%	0.424	47%	0.472	S	S	.	.	H	α-helix	trans	-66.4	-44.8	176.9	-173.5	61.3	70	0	0	111.2	M1025 G1026 F1032 K1033	M1025-M1029 WeakPolarHBondContact O-CB 3.48Å; M1025-M1029 PolarHBondContact O-N 2.81Å; G1026-M1029 WeakPolarHBondContact O-CB 3.46Å; G1026-M1029 PolarHBondContact O-N 3Å; G1026-M1029 VanDerWaalsContact O-N 3.12Å; M1029-F1032 WeakPolarHBondContact O-CB 3.27Å; M1029-F1032 PolarHBondContact O-N 3.39Å; M1029-K1033 WeakPolarHBondContact O-CG 3.32Å; M1029-K1033 PolarHBondContact O-N 2.98Å
1030	D	83.1	Confident	79.4	Confident	89 Å²	89	97.3 Å²	97.3	48%	0.476	49%	0.488	S	S	.	.	H	α-helix	trans	-64.9	-44.2	177.5	-66.9	-26.2	0	0	0	111	G1026 F1032 K1033 E1034	G1026-D1030 PolarHBondContact O-N 2.85Å; D1030-F1032 VanDerWaalsContact C-N 3.27Å; D1030-F1032 PolarHBondContact O-N 3.11Å; D1030-K1033 PolarHBondContact O-N 3.43Å; D1030-E1034 WeakPolarHBondContact O-CB 3.44Å; D1030-E1034 WeakPolarHBondContact O-CG 3.49Å; D1030-E1034 PolarHBondContact O-N 2.81Å
1031	A	82.2	Confident	79.7	Confident	54 Å²	54	94.8 Å²	94.8	45%	0.446	48%	0.478	S	S	.	.	H	α-helix	trans	-60.6	-35.6	173	0	0	0	0	0	112.8	R1027 R1035	R1027-A1031 VanDerWaalsContact O-CB 3.3Å; R1027-A1031 WeakPolarHBondContact O-CB 3.42Å; R1027-A1031 PolarHBondContact O-N 2.73Å; A1031-R1035 VanDerWaalsContact O-CB 3.3Å; A1031-R1035 WeakPolarHBondContact O-CB 3.5Å; A1031-R1035 PolarHBondContact O-N 3.02Å
1032	F	78.8	Confident	80.1	Confident	104 Å²	104	92.3 Å²	92.3	46%	0.456	46%	0.462	S	S	.	.	H	α-helix	trans	-66.2	-48.2	174.3	179.8	-94.8	0	0	0	111.4	K1028 M1029 D1030 R1035 V1036	K1028-F1032 WeakPolarHBondContact O-CB 3.46Å; K1028-F1032 PolarHBondContact O-N 2.57Å; M1029-F1032 WeakPolarHBondContact O-CB 3.27Å; M1029-F1032 PolarHBondContact O-N 3.39Å; D1030-F1032 VanDerWaalsContact C-N 3.27Å; D1030-F1032 PolarHBondContact O-N 3.11Å; F1032-R1035 VanDerWaalsContact CD2-NH2 3.25Å; F1032-R1035 WeakPolarHBondContact O-CB 3.45Å; F1032-R1035 PolarHBondContact O-N 3.32Å; F1032-V1036 HydrophobicContact CD1-CG2 4.17Å; F1032-V1036 HydrophobicContact CE1-CG2 3.75Å; F1032-V1036 HydrophobicContact CE2-CG2 4.4Å; F1032-V1036 HydrophobicContact CZ-CG2 3.87Å; F1032-V1036 WeakPolarHBondContact O-CG2 3.48Å; F1032-V1036 PolarHBondContact O-N 2.92Å
1033	K	78.4	Confident	80.4	Confident	114 Å²	114	90 Å²	90	50%	0.496	45%	0.445	S	S	.	.	H	α-helix	trans	-58.2	-48.3	176	-73	175.3	-179.2	173.4	0	111.4	M1029 D1030 R1035 V1036 I1037	M1029-K1033 WeakPolarHBondContact O-CG 3.32Å; M1029-K1033 PolarHBondContact O-N 2.98Å; D1030-K1033 PolarHBondContact O-N 3.43Å; K1033-R1035 VanDerWaalsContact C-N 3.29Å; K1033-R1035 PolarHBondContact O-N 2.88Å; K1033-V1036 PolarHBondContact O-N 2.94Å; K1033-I1037 VanDerWaalsContact O-CG1 3.31Å; K1033-I1037 WeakPolarHBondContact O-CG1 3.41Å; K1033-I1037 PolarHBondContact O-N 2.88Å
1034	E	80.4	Confident	80.9	Confident	121 Å²	121	93 Å²	93	57%	0.565	46%	0.458	S	S	*	.	H	α-helix	trans	-58.7	-40.9	176.4	-77.2	-173.9	174.8	0	0	112.2	D1030 R1038	D1030-E1034 WeakPolarHBondContact O-CB 3.44Å; D1030-E1034 WeakPolarHBondContact O-CG 3.49Å; D1030-E1034 PolarHBondContact O-N 2.81Å; E1034-R1038 WeakPolarHBondContact O-CB 2.91Å; E1034-R1038 PolarHBondContact O-N 3.49Å
1035	R	76.7	Confident	81.5	Confident	135 Å²	135	91.4 Å²	91.4	51%	0.509	46%	0.459	S	S	.	.	H	α-helix	trans	-65.7	-41.7	177	-175.1	177.5	67.2	-175.4	3.1	111.9	A1031 F1032 K1033 N1039	A1031-R1035 VanDerWaalsContact O-CB 3.3Å; A1031-R1035 WeakPolarHBondContact O-CB 3.5Å; A1031-R1035 PolarHBondContact O-N 3.02Å; F1032-R1035 VanDerWaalsContact CD2-NH2 3.25Å; F1032-R1035 WeakPolarHBondContact O-CB 3.45Å; F1032-R1035 PolarHBondContact O-N 3.32Å; K1033-R1035 VanDerWaalsContact C-N 3.29Å; K1033-R1035 PolarHBondContact O-N 2.88Å; R1035-N1039 WeakPolarHBondContact O-CB 3.21Å; R1035-N1039 VanDerWaalsContact O-CG 3.24Å; R1035-N1039 PolarHBondContact O-N 3.39Å
1036	V	75.8	Confident	82.2	Confident	65 Å²	65	88.6 Å²	88.6	39%	0.394	45%	0.446	S	S	.	.	H	α-helix	trans	-63.8	-50.6	176.2	173.1	0	0	0	0	110.1	F1032 K1033 R1038 N1039 S1040	F1032-V1036 HydrophobicContact CD1-CG2 4.17Å; F1032-V1036 HydrophobicContact CE1-CG2 3.75Å; F1032-V1036 HydrophobicContact CE2-CG2 4.4Å; F1032-V1036 HydrophobicContact CZ-CG2 3.87Å; F1032-V1036 WeakPolarHBondContact O-CG2 3.48Å; F1032-V1036 PolarHBondContact O-N 2.92Å; K1033-V1036 PolarHBondContact O-N 2.94Å; V1036-R1038 VanDerWaalsContact C-N 3.33Å; V1036-R1038 PolarHBondContact O-N 3.05Å; V1036-N1039 PolarHBondContact O-N 2.95Å; V1036-S1040 WeakPolarHBondContact O-CB 3.38Å; V1036-S1040 PolarHBondContact O-N 3.49Å; V1036-S1040 PolarHBondContact O-OG 3.04Å; V1036-S1040 VanDerWaalsContact O-OG 3.06Å
1037	I	77.8	Confident	82.6	Confident	102 Å²	102	92.1 Å²	92.1	52%	0.523	46%	0.462	S	S	.	.	H	α-helix	trans	-55.5	-48.9	177.5	-68.2	167	0	0	0	110.5	K1033 N1039 S1040 L1041	K1033-I1037 VanDerWaalsContact O-CG1 3.31Å; K1033-I1037 WeakPolarHBondContact O-CG1 3.41Å; K1033-I1037 PolarHBondContact O-N 2.88Å; I1037-N1039 PolarHBondContact O-N 2.97Å; I1037-S1040 PolarHBondContact O-N 3.44Å; I1037-L1041 HydrophobicContact CG2-CD1 3.61Å; I1037-L1041 HydrophobicContact CG2-CG 4.29Å; I1037-L1041 WeakPolarHBondContact O-CB 3.13Å; I1037-L1041 VanDerWaalsContact O-CG 3.25Å; I1037-L1041 WeakPolarHBondContact O-CG 3.38Å; I1037-L1041 PolarHBondContact O-N 3.3Å
1038	R	78.6	Confident	83.1	Confident	153 Å²	153	87.4 Å²	87.4	58%	0.577	47%	0.468	S	S	*	.	H	α-helix	trans	-58.2	-48.9	178.8	-169.5	-169.9	-46.5	175.8	5.1	112.1	E1034 V1036 R1042	E1034-R1038 WeakPolarHBondContact O-CB 2.91Å; E1034-R1038 PolarHBondContact O-N 3.49Å; V1036-R1038 VanDerWaalsContact C-N 3.33Å; V1036-R1038 PolarHBondContact O-N 3.05Å; R1038-R1042 CarbonylContact O-C 3.51Å; R1038-R1042 PolarHBondContact O-N 3.49Å
1039	N	77.9	Confident	83.7	Confident	75 Å²	75	84.2 Å²	84.2	40%	0.401	46%	0.455	S	S	.	.	H	α-helix	trans	-71.4	-29.7	-178.4	-70.9	-9.4	0	0	0	112.8	R1035 V1036 I1037 P1043	R1035-N1039 WeakPolarHBondContact O-CB 3.21Å; R1035-N1039 VanDerWaalsContact O-CG 3.24Å; R1035-N1039 PolarHBondContact O-N 3.39Å; V1036-N1039 PolarHBondContact O-N 2.95Å; I1037-N1039 PolarHBondContact O-N 2.97Å; N1039-P1043 WeakPolarHBondContact O-CA 3.27Å; N1039-P1043 WeakPolarHBondContact O-CG 3.37Å
1040	S	77.4	Confident	84.3	Confident	77 Å²	77	81.9 Å²	81.9	54%	0.538	45%	0.453	S	S	.	.	H	α-helix	trans	-73.6	-39.8	175.4	-66.9	0	0	0	0	112.3	V1036 I1037	V1036-S1040 WeakPolarHBondContact O-CB 3.38Å; V1036-S1040 PolarHBondContact O-N 3.49Å; V1036-S1040 PolarHBondContact O-OG 3.04Å; V1036-S1040 VanDerWaalsContact O-OG 3.06Å; I1037-S1040 PolarHBondContact O-N 3.44Å
1041	L	84.4	Confident	84.9	Confident	87 Å²	87	82.6 Å²	82.6	46%	0.455	45%	0.449	S	S	.	.	H	α-helix	trans	-79.4	-33.7	179.6	-64	174.7	0	0	0	112.6	I1037 S1129 I1130 P1131	I1037-L1041 HydrophobicContact CG2-CD1 3.61Å; I1037-L1041 HydrophobicContact CG2-CG 4.29Å; I1037-L1041 WeakPolarHBondContact O-CB 3.13Å; I1037-L1041 VanDerWaalsContact O-CG 3.25Å; I1037-L1041 WeakPolarHBondContact O-CG 3.38Å; I1037-L1041 PolarHBondContact O-N 3.3Å; L1041-S1129 WeakPolarHBondContact O-CA 3.48Å; L1041-S1129 PolarHBondContact O-OG 3.39Å; L1041-S1129 VanDerWaalsContact O-OG 3.09Å; L1041-I1130 PolarHBondContact O-N 3.41Å; L1041-P1131 HydrophobicContact CD2-CG 3.83Å
1042	R	89.8	Confident	85.5	Confident	110 Å²	110	80.1 Å²	80.1	42%	0.415	43%	0.429	S	S	.	.	S	Bend	trans	-144.2	83.2	-177.5	-160.2	177.9	-175.9	96.1	0.6	110.2	R1038 D1103	R1038-R1042 CarbonylContact O-C 3.51Å; R1038-R1042 PolarHBondContact O-N 3.49Å; R1042-D1103 IonicContact CZ-OD1 2.78Å; R1042-D1103 IonicContact CZ-OD2 3.8Å; R1042-D1103 IonicContact NH1-OD1 3.43Å; R1042-D1103 IonicContact NH2-OD1 3.16Å; R1042-D1103 PolarHBondContact NH2-OD1 3.43Å; R1042-D1103 IonicContact NH2-OD2 3.62Å; R1042-D1103 PolarHBondContact NH2-OD2 2.8Å
1043	P	90.2	Very high	86.1	Confident	13 Å²	13	82.9 Å²	82.9	8%	0.084	44%	0.443	C	S	.	.	P	Polyproline II helix	trans	-59.2	155.7	177.4	-20.8	31.5	0	0	0	112	N1039 A1045 I1130 F1143	N1039-P1043 WeakPolarHBondContact O-CA 3.27Å; N1039-P1043 WeakPolarHBondContact O-CG 3.37Å; P1043-A1045 PolarHBondContact O-N 3.39Å; P1043-I1130 HydrophobicContact CG-CD1 3.85Å; P1043-I1130 HydrophobicContact CG-CG1 4.47Å; P1043-F1143 HydrophobicContact CB-CD1 3.84Å; P1043-F1143 HydrophobicContact CB-CD2 4.12Å; P1043-F1143 HydrophobicContact CB-CE1 3.77Å; P1043-F1143 HydrophobicContact CB-CE2 4.03Å; P1043-F1143 HydrophobicContact CB-CG 4.04Å; P1043-F1143 HydrophobicContact CB-CZ 3.86Å; P1043-F1143 HydrophobicContact CG-CB 4.32Å; P1043-F1143 HydrophobicContact CG-CD1 4.15Å; P1043-F1143 HydrophobicContact CG-CD2 3.83Å; P1043-F1143 HydrophobicContact CG-CE1 4.47Å; P1043-F1143 HydrophobicContact CG-CE2 4.16Å; P1043-F1143 HydrophobicContact CG-CG 3.84Å; P1043-F1143 HydrophobicContact CG-CZ 4.47Å
1044	P	89.3	Confident	86.6	Confident	98 Å²	98	85.5 Å²	85.5	64%	0.636	45%	0.454	S	S	*	.	P	Polyproline II helix	trans	-56.3	137.3	173.4	-22.3	32.6	0	0	0	111.5	F1143	P1044-F1143 VanDerWaalsContact O-CE1 3.28Å; P1044-F1143 WeakPolarHBondContact O-CE1 3.19Å; P1044-F1143 VanDerWaalsContact O-CZ 3.27Å; P1044-F1143 WeakPolarHBondContact O-CZ 3.34Å
1045	A	91.8	Very high	87.2	Confident	47 Å²	47	84.9 Å²	84.9	39%	0.388	45%	0.447	S	S	.	.	P	Polyproline II helix	trans	-58.6	142.4	176.3	0	0	0	0	0	111.3	P1043 P1047 V1126 Q1127	P1043-A1045 PolarHBondContact O-N 3.39Å; A1045-P1047 WeakPolarHBondContact O-CD 3.36Å; A1045-V1126 CarbonylContact C-O 3.56Å; A1045-V1126 WeakPolarHBondContact CA-O 3.29Å; A1045-Q1127 HydrophobicContact CB-CB 3.9Å; A1045-Q1127 HydrophobicContact CB-CG 3.89Å
1046	V	93.2	Very high	88	Confident	14 Å²	14	79.7 Å²	79.7	9%	0.085	44%	0.435	C	S	.	.	P	Polyproline II helix	trans	-64.5	121.1	173.2	179.9	0	0	0	0	108.7	I1049 V1126 F1143 D1144 G1147 C1150	V1046-I1049 HydrophobicContact CB-CG1 3.95Å; V1046-I1049 HydrophobicContact CG1-CD1 4.12Å; V1046-I1049 HydrophobicContact CG1-CG1 3.68Å; V1046-V1126 HydrophobicContact CB-CB 4.19Å; V1046-V1126 HydrophobicContact CG2-CB 4.17Å; V1046-V1126 PolarHBondContact N-O 3.22Å; V1046-F1143 HydrophobicContact CG2-CE1 4.33Å; V1046-D1144 HydrophobicContact CG2-CB 4.19Å; V1046-D1144 WeakPolarHBondContact CG2-O 3.43Å; V1046-G1147 VanDerWaalsContact CG1-CA 3.42Å; V1046-C1150 HydrophobicContact CG1-CB 4.43Å
1047	P	87.9	Confident	88.8	Confident	111 Å²	111	79.7 Å²	79.7	72%	0.721	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	140.9	-176.8	26.9	-33.2	0	0	0	111.3	A1045	A1045-P1047 WeakPolarHBondContact O-CD 3.36Å
1048	G	90.2	Very high	89.5	Confident	74 Å²	74	79.1 Å²	79.1	76%	0.763	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.4	8.3	171.6	0	0	0	0	0	116.3
1049	I	94.5	Very high	90.2	Very high	39 Å²	39	76.4 Å²	76.4	20%	0.2	43%	0.426	C	S	.	.			trans	-92.6	116	177.3	-48.9	-59.7	0	0	0	110.9	V1046 V1126 C1150 I1155 D1156 V1158	V1046-I1049 HydrophobicContact CB-CG1 3.95Å; V1046-I1049 HydrophobicContact CG1-CD1 4.12Å; V1046-I1049 HydrophobicContact CG1-CG1 3.68Å; I1049-V1126 HydrophobicContact CB-CG2 4.49Å; I1049-V1126 HydrophobicContact CG1-CB 4.4Å; I1049-V1126 HydrophobicContact CG1-CG1 4.41Å; I1049-V1126 HydrophobicContact CG2-CB 4.49Å; I1049-V1126 HydrophobicContact CG2-CG1 4.44Å; I1049-V1126 HydrophobicContact CG2-CG2 4.09Å; I1049-C1150 HydrophobicContact CD1-CB 3.89Å; I1049-I1155 WeakPolarHBondContact CD1-O 3.14Å; I1049-D1156 CarbonylContact C-O 3.6Å; I1049-D1156 WeakPolarHBondContact CA-O 3.49Å; I1049-V1158 HydrophobicContact CG2-CB 4.35Å; I1049-V1158 HydrophobicContact CG2-CG1 3.81Å; I1049-V1158 HydrophobicContact CG2-CG2 3.85Å
1050	G	92.3	Very high	91	Very high	37 Å²	37	74.9 Å²	74.9	38%	0.381	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	-179.8	175	0	0	0	0	0	114.1	D1156 Q1157 V1158	G1050-D1156 PolarHBondContact N-O 2.98Å; G1050-Q1157 CarbonylContact O-C 3.57Å; G1050-Q1157 VanDerWaalsContact O-CA 3.26Å; G1050-Q1157 WeakPolarHBondContact O-CA 3.2Å; G1050-V1158 PolarHBondContact O-N 3.05Å
1051	R	95.2	Very high	91.7	Very high	105 Å²	105	74.9 Å²	74.9	40%	0.396	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	135.9	171.3	-176.2	173	175.6	-165.6	-7.4	109.8	E1053 D1104 V1158 E1179	R1051-E1053 PolarHBondContact O-N 3.27Å; R1051-D1104 IonicContact NE-OD2 2.85Å; R1051-V1158 CarbonylContact C-O 3.52Å; R1051-V1158 WeakPolarHBondContact CA-O 3.43Å; R1051-E1179 IonicContact CZ-OE1 3.76Å; R1051-E1179 IonicContact NH2-OE1 3.31Å; R1051-E1179 PolarHBondContact NH2-OE1 3.21Å
1052	T	95	Very high	92	Very high	2 Å²	2	71.5 Å²	71.5	1%	0.012	39%	0.393	C	S	.	.			trans	-70.1	117.3	173.9	-56.5	0	0	0	0	110.4	K1054 V1158 P1159 F1175 P1177	T1052-K1054 WeakPolarHBondContact CG2-O 3.33Å; T1052-V1158 PolarHBondContact N-O 3.45Å; T1052-V1158 PolarHBondContact OG1-N 2.82Å; T1052-V1158 PolarHBondContact OG1-O 3.1Å; T1052-P1159 PolarHBondContact OG1-O 2.96Å; T1052-F1175 HydrophobicContact CG2-CB 3.64Å; T1052-P1177 HydrophobicContact CG2-CG 4.29Å
1053	E	91	Very high	92	Very high	162 Å²	162	68 Å²	68	76%	0.757	39%	0.385	S	S	*	.			trans	-99.9	-29.7	178.7	-64.1	-172.5	166.8	0	0	113.7	R1051	R1051-E1053 PolarHBondContact O-N 3.27Å
1054	K	89	Confident	91.7	Very high	168 Å²	168	70 Å²	70	73%	0.73	40%	0.398	S	S	*	.	S	Bend	trans	-129	144.1	-179.1	-67	-179.3	-178.3	175.6	0	109.9	T1052 G1056	T1052-K1054 WeakPolarHBondContact CG2-O 3.33Å; K1054-G1056 PolarHBondContact O-N 3.27Å
1055	Y	93.5	Very high	91.7	Very high	109 Å²	109	73.6 Å²	73.6	43%	0.427	40%	0.399	S	S	.	.			trans	-59.9	128.6	171.3	178.6	-94.1	0	0	0	109.7	K1172 E1174 F1175 I1176	Y1055-K1172 PolarHBondContact OH-NZ 3.29Å; Y1055-E1174 HydrophobicContact CE2-CB 4.47Å; Y1055-E1174 PolarHBondContact OH-OE1 3.29Å; Y1055-F1175 WeakPolarHBondContact CA-O 3.22Å; Y1055-I1176 HydrophobicContact CD2-CG1 4.17Å; Y1055-I1176 HydrophobicContact CE2-CG1 4.15Å
1056	G	92	Very high	91.3	Very high	25 Å²	25	72.5 Å²	72.5	26%	0.258	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	148.5	173.9	0	0	0	0	0	109.2	K1054 E1174 F1175	K1054-G1056 PolarHBondContact O-N 3.27Å; G1056-E1174 CarbonylContact O-C 3.4Å; G1056-E1174 WeakPolarHBondContact O-CA 3.47Å; G1056-F1175 PolarHBondContact N-O 3.48Å; G1056-F1175 PolarHBondContact O-N 3.47Å
1057	S	93.6	Very high	90.7	Very high	66 Å²	66	76.1 Å²	76.1	46%	0.462	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	148.7	168.7	72.8	0	0	0	0	110.3	V1173	S1057-V1173 CarbonylContact C-O 3.54Å; S1057-V1173 VanDerWaalsContact CA-O 3.31Å; S1057-V1173 WeakPolarHBondContact CA-O 3.45Å
1058	R	92.9	Very high	90.4	Very high	90 Å²	90	73.5 Å²	73.5	34%	0.34	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	157	172.2	64.9	176.1	-175	-138.7	-19.1	110.5	L1153 G1154 V1173	R1058-L1153 PolarHBondContact NH2-O 3.48Å; R1058-G1154 VanDerWaalsContact CZ-O 3.29Å; R1058-G1154 PolarHBondContact NH1-O 3.44Å; R1058-G1154 VanDerWaalsContact NH1-O 3.07Å; R1058-G1154 VanDerWaalsContact NH2-CA 3.33Å; R1058-G1154 PolarHBondContact NH2-O 3.22Å; R1058-V1173 HydrophobicContact CG-CB 4.11Å; R1058-V1173 PolarHBondContact N-O 3.41Å; R1058-V1173 PolarHBondContact O-N 3.25Å
1059	L	93.1	Very high	90.1	Very high	96 Å²	96	73.4 Å²	73.4	50%	0.503	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	131.8	171.2	-60.7	-178.6	0	0	0	108.9	V1165 F1170 L1171 K1172	L1059-V1165 HydrophobicContact CD2-CG2 3.66Å; L1059-F1170 HydrophobicContact CB-CB 4.08Å; L1059-F1170 HydrophobicContact CB-CD1 3.86Å; L1059-F1170 HydrophobicContact CB-CG 4.11Å; L1059-F1170 HydrophobicContact CD1-CG 4.4Å; L1059-F1170 HydrophobicContact CD2-CB 4.19Å; L1059-L1171 CarbonylContact C-O 3.52Å; L1059-L1171 WeakPolarHBondContact CA-O 3.47Å; L1059-K1172 HydrophobicContact CD2-CG 4.48Å
1060	F	93.5	Very high	89.4	Confident	42 Å²	42	75 Å²	75	18%	0.184	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	122.1	172.2	173.3	-100.8	0	0	0	108.2	P1062 R1152 L1153 F1170 L1171 V1173	F1060-P1062 HydrophobicContact CD1-CB 4.28Å; F1060-P1062 HydrophobicContact CE1-CB 3.87Å; F1060-P1062 VanDerWaalsContact O-CD 3.24Å; F1060-P1062 WeakPolarHBondContact O-CD 3.41Å; F1060-R1152 WeakPolarHBondContact CE2-O 3.14Å; F1060-R1152 HydrophobicContact CZ-CG 4.34Å; F1060-R1152 WeakPolarHBondContact CZ-O 3.43Å; F1060-L1153 HydrophobicContact CD1-CD2 3.81Å; F1060-L1153 HydrophobicContact CE1-CD2 3.85Å; F1060-L1153 HydrophobicContact CG-CD2 4.22Å; F1060-L1153 HydrophobicContact CZ-CD2 4.32Å; F1060-F1170 WeakPolarHBondContact O-CA 3.44Å; F1060-L1171 HydrophobicContact CB-CB 4.36Å; F1060-L1171 HydrophobicContact CD1-CB 4.31Å; F1060-L1171 HydrophobicContact CD1-CD1 4.13Å; F1060-L1171 HydrophobicContact CD1-CG 4.48Å; F1060-L1171 PolarHBondContact N-O 3.1Å; F1060-L1171 PolarHBondContact O-N 3.48Å; F1060-V1173 HydrophobicContact CB-CG2 4Å
1061	D	92.3	Very high	88.9	Confident	78 Å²	78	79.6 Å²	79.6	42%	0.417	40%	0.401	S	S	.	.			trans	-85.3	108.8	173.3	-171.1	-6.3	0	0	0	109.1	S1063 N1086 F1170	D1061-S1063 PolarHBondContact O-N 3.39Å; D1061-S1063 WeakPolarHBondContact OD1-CB 3.36Å; D1061-S1063 PolarHBondContact OD1-N 3.07Å; D1061-S1063 PolarHBondContact OD1-OG 3.12Å; D1061-S1063 PolarHBondContact OD2-OG 2.98Å; D1061-N1086 PolarHBondContact OD1-ND2 3.07Å; D1061-N1086 VanDerWaalsContact OD1-ND2 3.12Å; D1061-F1170 HydrophobicContact CB-CD1 3.92Å; D1061-F1170 HydrophobicContact CB-CE1 3.67Å
1062	P	90.9	Very high	87.9	Confident	15 Å²	15	77.1 Å²	77.1	10%	0.097	40%	0.396	C	S	.	.			trans	-77.4	5.8	177.8	34.3	-35	0	0	0	112.9	F1060 V1064 P1087 L1088 R1169	F1060-P1062 HydrophobicContact CD1-CB 4.28Å; F1060-P1062 HydrophobicContact CE1-CB 3.87Å; F1060-P1062 VanDerWaalsContact O-CD 3.24Å; F1060-P1062 WeakPolarHBondContact O-CD 3.41Å; P1062-V1064 PolarHBondContact O-N 3.44Å; P1062-P1087 WeakPolarHBondContact O-CD 3.45Å; P1062-L1088 HydrophobicContact CG-CD1 3.71Å; P1062-L1088 HydrophobicContact CG-CG 3.77Å; P1062-R1169 VanDerWaalsContact CD-O 3.31Å; P1062-R1169 WeakPolarHBondContact CD-O 3.45Å
1063	S	89.8	Confident	87.2	Confident	36 Å²	36	84.6 Å²	84.6	25%	0.252	44%	0.435	S	S	.	.			trans	-56.5	130	178.7	-60	0	0	0	0	111.8	D1061 M1085 N1086	D1061-S1063 PolarHBondContact O-N 3.39Å; D1061-S1063 WeakPolarHBondContact OD1-CB 3.36Å; D1061-S1063 PolarHBondContact OD1-N 3.07Å; D1061-S1063 PolarHBondContact OD1-OG 3.12Å; D1061-S1063 PolarHBondContact OD2-OG 2.98Å; S1063-M1085 WeakPolarHBondContact CA-O 3.47Å; S1063-N1086 WeakPolarHBondContact OG-CB 3.39Å; S1063-N1086 PolarHBondContact OG-ND2 3.17Å
1064	V	85.3	Confident	86.2	Confident	57 Å²	57	82.9 Å²	82.9	35%	0.345	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	129.9	177	-176.5	0	0	0	0	107.9	P1062 L1066 M1085	P1062-V1064 PolarHBondContact O-N 3.44Å; V1064-L1066 PolarHBondContact O-N 3.02Å; V1064-M1085 PolarHBondContact N-O 3.31Å; V1064-M1085 PolarHBondContact O-N 3.12Å
1065	R	88.7	Confident	85.2	Confident	173 Å²	173	76.6 Å²	76.6	65%	0.653	41%	0.41	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.4	118.6	166.8	-172.4	177.4	-70.9	-99.6	8.4	108.3	A1067 G1082 E1083 V1084	R1065-A1067 PolarHBondContact O-N 3.39Å; R1065-G1082 WeakPolarHBondContact CG-O 3.07Å; R1065-G1082 PolarHBondContact NH1-O 3.16Å; R1065-E1083 WeakPolarHBondContact CA-O 3.45Å; R1065-V1084 HydrophobicContact CB-CG2 4.23Å; R1065-V1084 HydrophobicContact CG-CG2 4.22Å
1066	L	83.3	Confident	84.5	Confident	24 Å²	24	79.1 Å²	79.1	13%	0.126	42%	0.419	C	S	.	.			trans	-65.7	126.1	-178	-61.5	-174.5	0	0	0	110.5	V1064 A1068 I1070 A1079 G1082 E1083 M1085	V1064-L1066 PolarHBondContact O-N 3.02Å; L1066-A1068 VanDerWaalsContact C-N 3.27Å; L1066-A1068 PolarHBondContact O-N 3.46Å; L1066-I1070 HydrophobicContact CD1-CD1 3.78Å; L1066-I1070 HydrophobicContact CD1-CG1 4.1Å; L1066-I1070 HydrophobicContact CD2-CD1 3.66Å; L1066-I1070 HydrophobicContact CG-CD1 4.31Å; L1066-A1079 HydrophobicContact CD1-CB 3.35Å; L1066-G1082 PolarHBondContact O-N 3.44Å; L1066-E1083 PolarHBondContact N-O 3.29Å; L1066-M1085 HydrophobicContact CD1-CG 3.9Å; L1066-M1085 HydrophobicContact CG-CG 4.14Å
1067	A	80.6	Confident	84	Confident	89 Å²	89	80.3 Å²	80.3	74%	0.736	42%	0.421	S	S	*	.	S	Bend	trans	-75.8	-16.9	179.2	0	0	0	0	0	112.9	R1065 Q1081	R1065-A1067 PolarHBondContact O-N 3.39Å; A1067-Q1081 WeakPolarHBondContact O-CG 3.37Å; A1067-Q1081 PolarHBondContact O-NE2 2.72Å
1068	A	81.6	Confident	83.4	Confident	56 Å²	56	83 Å²	83	46%	0.463	43%	0.425	S	S	.	.	S	Bend	trans	-153.9	165	179.6	0	0	0	0	0	110.7	L1066	L1066-A1068 VanDerWaalsContact C-N 3.27Å; L1066-A1068 PolarHBondContact O-N 3.46Å
1069	D	84.9	Confident	82.9	Confident	73 Å²	73	78.7 Å²	78.7	39%	0.39	41%	0.409	S	S	.	.			trans	-60.4	136.8	170.8	-73.4	-10.1	0	0	0	110.5	R1071 V1077 R1080 Q1081	D1069-R1071 IonicContact OD2-NH2 3.63Å; D1069-V1077 HydrophobicContact CB-CG1 4.1Å; D1069-R1080 WeakPolarHBondContact OD1-CA 3.45Å; D1069-Q1081 PolarHBondContact OD1-N 3.16Å
1070	I	78.2	Confident	82.6	Confident	73 Å²	73	82.7 Å²	82.7	37%	0.374	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	129	172.7	-54.2	-179.4	0	0	0	108.8	L1066 F1078 A1079	L1066-I1070 HydrophobicContact CD1-CD1 3.78Å; L1066-I1070 HydrophobicContact CD1-CG1 4.1Å; L1066-I1070 HydrophobicContact CD2-CD1 3.66Å; L1066-I1070 HydrophobicContact CG-CD1 4.31Å; I1070-F1078 HydrophobicContact CB-CE1 4.49Å; I1070-F1078 HydrophobicContact CB-CZ 4.24Å; I1070-F1078 HydrophobicContact CG2-CE1 3.7Å; I1070-F1078 HydrophobicContact CG2-CE2 4.19Å; I1070-F1078 HydrophobicContact CG2-CZ 3.4Å; I1070-F1078 VanDerWaalsContact CG2-CZ 3.4Å; I1070-F1078 PolarHBondContact O-N 3.07Å; I1070-A1079 HydrophobicContact CB-CB 4.32Å; I1070-A1079 PolarHBondContact N-O 3.43Å; I1070-A1079 PolarHBondContact O-N 3.4Å
1071	R	83.1	Confident	82.1	Confident	133 Å²	133	87 Å²	87	50%	0.502	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	144.9	-177	-64.9	172.7	-174.1	-109.8	0.2	110.6	D1069 G1075 R1076 V1077	D1069-R1071 IonicContact OD2-NH2 3.63Å; R1071-G1075 PolarHBondContact NH1-O 3.08Å; R1071-R1076 VanDerWaalsContact CA-O 3.25Å; R1071-R1076 WeakPolarHBondContact CA-O 3.38Å; R1071-V1077 HydrophobicContact CG-CB 4.35Å; R1071-V1077 HydrophobicContact CG-CG2 3.67Å
1072	D	73.2	Confident	81.7	Confident	53 Å²	53	84.6 Å²	84.6	28%	0.283	43%	0.432	S	S	.	.			trans	-75.9	-177.7	171.9	64.8	15	0	0	0	111.6	E1074 G1075 R1076 F1078	D1072-E1074 PolarHBondContact O-N 3Å; D1072-E1074 WeakPolarHBondContact OD1-CA 3.3Å; D1072-E1074 PolarHBondContact OD1-N 3.16Å; D1072-G1075 PolarHBondContact O-N 2.82Å; D1072-G1075 PolarHBondContact OD1-N 3.14Å; D1072-R1076 PolarHBondContact N-O 3.36Å; D1072-R1076 VanDerWaalsContact N-O 3.07Å; D1072-R1076 PolarHBondContact OD1-N 3.32Å; D1072-R1076 WeakPolarHBondContact OD2-CB 3.25Å; D1072-F1078 HydrophobicContact CB-CD1 3.99Å; D1072-F1078 HydrophobicContact CB-CE1 4.2Å
1073	N	80.3	Confident	81.4	Confident	158 Å²	158	87.7 Å²	87.7	85%	0.845	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-17.7	177.8	62	-35.8	0	0	0	113.8
1074	E	71.3	Confident	81.3	Confident	126 Å²	126	89.6 Å²	89.6	59%	0.589	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.7	3.4	174.3	-62.3	-175.3	-171.4	0	0	112.5	D1072 R1076	D1072-E1074 PolarHBondContact O-N 3Å; D1072-E1074 WeakPolarHBondContact OD1-CA 3.3Å; D1072-E1074 PolarHBondContact OD1-N 3.16Å; E1074-R1076 VanDerWaalsContact C-N 3.29Å; E1074-R1076 HydrophobicContact CB-CG 4.33Å; E1074-R1076 PolarHBondContact O-N 3.29Å; E1074-R1076 IonicContact OE2-CZ 3.67Å; E1074-R1076 IonicContact OE2-NE 2.66Å; E1074-R1076 PolarHBondContact OE2-NE 3.03Å; E1074-R1076 IonicContact OE2-NH1 3.44Å; E1074-R1076 IonicContact OE2-NH2 3.5Å; E1074-R1076 PolarHBondContact OE2-NH2 3.46Å
1075	G	67.3	Low	81.2	Confident	36 Å²	36	88.1 Å²	88.1	37%	0.371	45%	0.445	S	S	.	.			trans	79	5.6	178.7	0	0	0	0	0	114.9	R1071 D1072 V1077	R1071-G1075 PolarHBondContact NH1-O 3.08Å; D1072-G1075 PolarHBondContact O-N 2.82Å; D1072-G1075 PolarHBondContact OD1-N 3.14Å; G1075-V1077 PolarHBondContact O-N 3.16Å
1076	R	78.4	Confident	81.3	Confident	162 Å²	162	80.1 Å²	80.1	61%	0.611	42%	0.415	S	S	*	.			trans	-72.2	125.5	177	-54.7	176	-174.6	-175.9	3.5	108.7	R1071 D1072 E1074 F1078	R1071-R1076 VanDerWaalsContact CA-O 3.25Å; R1071-R1076 WeakPolarHBondContact CA-O 3.38Å; D1072-R1076 PolarHBondContact N-O 3.36Å; D1072-R1076 VanDerWaalsContact N-O 3.07Å; D1072-R1076 PolarHBondContact OD1-N 3.32Å; D1072-R1076 WeakPolarHBondContact OD2-CB 3.25Å; E1074-R1076 VanDerWaalsContact C-N 3.29Å; E1074-R1076 HydrophobicContact CB-CG 4.33Å; E1074-R1076 PolarHBondContact O-N 3.29Å; E1074-R1076 IonicContact OE2-CZ 3.67Å; E1074-R1076 IonicContact OE2-NE 2.66Å; E1074-R1076 PolarHBondContact OE2-NE 3.03Å; E1074-R1076 IonicContact OE2-NH1 3.44Å; E1074-R1076 IonicContact OE2-NH2 3.5Å; E1074-R1076 PolarHBondContact OE2-NH2 3.46Å; R1076-F1078 PolarHBondContact O-N 3.16Å; R1076-F1078 VanDerWaalsContact O-N 3.12Å
1077	V	80.9	Confident	81.4	Confident	50 Å²	50	81.7 Å²	81.7	30%	0.303	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	104.6	173.7	-177.8	0	0	0	0	107.9	D1069 R1071 G1075 A1079 R1080	D1069-V1077 HydrophobicContact CB-CG1 4.1Å; R1071-V1077 HydrophobicContact CG-CB 4.35Å; R1071-V1077 HydrophobicContact CG-CG2 3.67Å; G1075-V1077 PolarHBondContact O-N 3.16Å; V1077-A1079 WeakPolarHBondContact CG1-O 3.45Å; V1077-R1080 HydrophobicContact CG1-CG 3.81Å
1078	F	82.4	Confident	81.8	Confident	123 Å²	123	79.1 Å²	79.1	54%	0.539	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	-13.3	176.6	70.7	-95.1	0	0	0	112.8	I1070 D1072 R1076	I1070-F1078 HydrophobicContact CB-CE1 4.49Å; I1070-F1078 HydrophobicContact CB-CZ 4.24Å; I1070-F1078 HydrophobicContact CG2-CE1 3.7Å; I1070-F1078 HydrophobicContact CG2-CE2 4.19Å; I1070-F1078 HydrophobicContact CG2-CZ 3.4Å; I1070-F1078 VanDerWaalsContact CG2-CZ 3.4Å; I1070-F1078 PolarHBondContact O-N 3.07Å; D1072-F1078 HydrophobicContact CB-CD1 3.99Å; D1072-F1078 HydrophobicContact CB-CE1 4.2Å; R1076-F1078 PolarHBondContact O-N 3.16Å; R1076-F1078 VanDerWaalsContact O-N 3.12Å
1079	A	80.9	Confident	81.8	Confident	0 Å²	0	80.3 Å²	80.3	0%	0	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	132.2	169.5	0	0	0	0	0	110.4	L1066 I1070 V1077 E1083 M1085	L1066-A1079 HydrophobicContact CD1-CB 3.35Å; I1070-A1079 HydrophobicContact CB-CB 4.32Å; I1070-A1079 PolarHBondContact N-O 3.43Å; I1070-A1079 PolarHBondContact O-N 3.4Å; V1077-A1079 WeakPolarHBondContact CG1-O 3.45Å; A1079-E1083 WeakPolarHBondContact CA-OE2 3.11Å; A1079-M1085 HydrophobicContact CB-CE 3.95Å; A1079-M1085 HydrophobicContact CB-CG 4.48Å
1080	R	88	Confident	81.7	Confident	179 Å²	179	83.4 Å²	83.4	68%	0.675	40%	0.403	S	S	*	.			trans	-95.9	152.9	-172.2	-67	-174.5	-179.8	-173.6	0.8	112.6	D1069 V1077 G1082 E1083	D1069-R1080 WeakPolarHBondContact OD1-CA 3.45Å; V1077-R1080 HydrophobicContact CG1-CG 3.81Å; R1080-G1082 PolarHBondContact O-N 3.3Å; R1080-E1083 PolarHBondContact N-OE2 2.79Å; R1080-E1083 WeakPolarHBondContact O-CB 3.37Å; R1080-E1083 PolarHBondContact O-N 3.35Å
1081	Q	82.8	Confident	81.8	Confident	132 Å²	132	84.8 Å²	84.8	62%	0.617	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	132.8	170.5	-176.1	174.4	29.5	0	0	110.3	A1067 D1069 E1083	A1067-Q1081 WeakPolarHBondContact O-CG 3.37Å; A1067-Q1081 PolarHBondContact O-NE2 2.72Å; D1069-Q1081 PolarHBondContact OD1-N 3.16Å; Q1081-E1083 PolarHBondContact O-N 3.39Å
1082	G	83.1	Confident	81.7	Confident	29 Å²	29	82.4 Å²	82.4	30%	0.299	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.8	-10.6	-177.9	0	0	0	0	0	114.7	R1065 L1066 R1080	R1065-G1082 WeakPolarHBondContact CG-O 3.07Å; R1065-G1082 PolarHBondContact NH1-O 3.16Å; L1066-G1082 PolarHBondContact O-N 3.44Å; R1080-G1082 PolarHBondContact O-N 3.3Å
1083	E	86.1	Confident	82.5	Confident	80 Å²	80	81.9 Å²	81.9	37%	0.374	41%	0.412	S	S	.	.			trans	-63.2	139.3	171.5	-167.3	171.5	-176.6	0	0	110	R1065 L1066 A1079 R1080 Q1081 M1085	R1065-E1083 WeakPolarHBondContact CA-O 3.45Å; L1066-E1083 PolarHBondContact N-O 3.29Å; A1079-E1083 WeakPolarHBondContact CA-OE2 3.11Å; R1080-E1083 PolarHBondContact N-OE2 2.79Å; R1080-E1083 WeakPolarHBondContact O-CB 3.37Å; R1080-E1083 PolarHBondContact O-N 3.35Å; Q1081-E1083 PolarHBondContact O-N 3.39Å; E1083-M1085 HydrophobicContact CG-CG 4.16Å; E1083-M1085 HydrophobicContact CG-SD 4.28Å
1084	V	86.5	Confident	82.8	Confident	75 Å²	75	79.3 Å²	79.3	46%	0.455	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	107.4	178.7	179	0	0	0	0	107.4	R1065	R1065-V1084 HydrophobicContact CB-CG2 4.23Å; R1065-V1084 HydrophobicContact CG-CG2 4.22Å
1085	M	84.5	Confident	83.7	Confident	27 Å²	27	75.2 Å²	75.2	13%	0.133	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	126.6	-175.3	-71	-75.8	-84.8	0	0	109.6	S1063 V1064 L1066 A1079 E1083 P1087 Y1090	S1063-M1085 WeakPolarHBondContact CA-O 3.47Å; V1064-M1085 PolarHBondContact N-O 3.31Å; V1064-M1085 PolarHBondContact O-N 3.12Å; L1066-M1085 HydrophobicContact CD1-CG 3.9Å; L1066-M1085 HydrophobicContact CG-CG 4.14Å; A1079-M1085 HydrophobicContact CB-CE 3.95Å; A1079-M1085 HydrophobicContact CB-CG 4.48Å; E1083-M1085 HydrophobicContact CG-CG 4.16Å; E1083-M1085 HydrophobicContact CG-SD 4.28Å; M1085-P1087 WeakPolarHBondContact O-CD 3.34Å; M1085-Y1090 HydrophobicContact CE-CD2 4.32Å; M1085-Y1090 HydrophobicContact CE-CE1 4.26Å; M1085-Y1090 HydrophobicContact CE-CE2 3.34Å; M1085-Y1090 WeakPolarHBondContact CE-OH 3.44Å; M1085-Y1090 HydrophobicContact SD-CE2 4.02Å; M1085-Y1090 PolarHBondContact SD-OH 3.32Å; M1085-Y1090 VanDerWaalsContact SD-OH 3.37Å
1086	N	89.2	Confident	85	Confident	4 Å²	4	73.5 Å²	73.5	2%	0.021	36%	0.361	C	S	.	.			trans	-94.2	115.4	173	-169.3	-59	0	0	0	109.7	D1061 S1063 L1088 Q1089 R1169	D1061-N1086 PolarHBondContact OD1-ND2 3.07Å; D1061-N1086 VanDerWaalsContact OD1-ND2 3.12Å; S1063-N1086 WeakPolarHBondContact OG-CB 3.39Å; S1063-N1086 PolarHBondContact OG-ND2 3.17Å; N1086-L1088 PolarHBondContact O-N 3.22Å; N1086-L1088 VanDerWaalsContact O-N 3.14Å; N1086-L1088 VanDerWaalsContact OD1-CB 3.27Å; N1086-L1088 WeakPolarHBondContact OD1-CB 3.3Å; N1086-L1088 PolarHBondContact OD1-N 2.8Å; N1086-Q1089 HydrophobicContact CB-CG 4.18Å; N1086-Q1089 WeakPolarHBondContact O-CB 3.35Å; N1086-Q1089 PolarHBondContact O-N 3.4Å; N1086-Q1089 VanDerWaalsContact O-N 3.08Å; N1086-R1169 PolarHBondContact ND2-O 3.28Å
1087	P	86.3	Confident	85.9	Confident	58 Å²	58	66.6 Å²	66.6	38%	0.377	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-57.8	-29.8	-177.5	-24.6	33.8	0	0	0	113.9	P1062 M1085 Q1089 Y1090 V1091	P1062-P1087 WeakPolarHBondContact O-CD 3.45Å; M1085-P1087 WeakPolarHBondContact O-CD 3.34Å; P1087-Q1089 PolarHBondContact O-N 3.4Å; P1087-Y1090 PolarHBondContact O-N 3.03Å; P1087-V1091 PolarHBondContact O-N 2.87Å
1088	L	88	Confident	86.7	Confident	34 Å²	34	64.2 Å²	64.2	18%	0.178	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-68.4	-13	-179.2	-58.2	-179.8	0	0	0	113.4	P1062 N1086 Y1090 F1093 L1171	P1062-L1088 HydrophobicContact CG-CD1 3.71Å; P1062-L1088 HydrophobicContact CG-CG 3.77Å; N1086-L1088 PolarHBondContact O-N 3.22Å; N1086-L1088 VanDerWaalsContact O-N 3.14Å; N1086-L1088 VanDerWaalsContact OD1-CB 3.27Å; N1086-L1088 WeakPolarHBondContact OD1-CB 3.3Å; N1086-L1088 PolarHBondContact OD1-N 2.8Å; L1088-Y1090 VanDerWaalsContact C-N 3.31Å; L1088-F1093 HydrophobicContact CD2-CB 3.45Å; L1088-F1093 VanDerWaalsContact CD2-CB 3.45Å; L1088-F1093 HydrophobicContact CD2-CG 4.38Å; L1088-L1171 HydrophobicContact CD1-CD2 3.86Å; L1088-L1171 HydrophobicContact CD1-CG 4.18Å; L1088-L1171 HydrophobicContact CD2-CD2 4.17Å
1089	Q	82.6	Confident	87.4	Confident	82 Å²	82	58.3 Å²	58.3	38%	0.383	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-73.2	-26.2	171.2	-66.3	-179.6	36.6	0	0	112.7	N1086 P1087 R1169	N1086-Q1089 HydrophobicContact CB-CG 4.18Å; N1086-Q1089 WeakPolarHBondContact O-CB 3.35Å; N1086-Q1089 PolarHBondContact O-N 3.4Å; N1086-Q1089 VanDerWaalsContact O-N 3.08Å; P1087-Q1089 PolarHBondContact O-N 3.4Å; Q1089-R1169 HydrophobicContact CG-CG 4.29Å
1090	Y	82.4	Confident	88.2	Confident	138 Å²	138	58.3 Å²	58.3	54%	0.541	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.3	-36.4	-171.9	-56	-79.6	0	0	0	111.9	M1085 P1087 L1088	M1085-Y1090 HydrophobicContact CE-CD2 4.32Å; M1085-Y1090 HydrophobicContact CE-CE1 4.26Å; M1085-Y1090 HydrophobicContact CE-CE2 3.34Å; M1085-Y1090 WeakPolarHBondContact CE-OH 3.44Å; M1085-Y1090 HydrophobicContact SD-CE2 4.02Å; M1085-Y1090 PolarHBondContact SD-OH 3.32Å; M1085-Y1090 VanDerWaalsContact SD-OH 3.37Å; P1087-Y1090 PolarHBondContact O-N 3.03Å; L1088-Y1090 VanDerWaalsContact C-N 3.31Å
1091	V	80.6	Confident	88.6	Confident	101 Å²	101	51.2 Å²	51.2	61%	0.612	27%	0.272	S	S	*	.	S	Bend	trans	-125.4	110.1	-179.4	-175.6	0	0	0	0	108.5	P1087 F1093	P1087-V1091 PolarHBondContact O-N 2.87Å; V1091-F1093 PolarHBondContact O-N 2.71Å
1092	P	81.4	Confident	89.1	Confident	83 Å²	83	45.2 Å²	45.2	54%	0.539	25%	0.245	S	C	.	.			trans	-66.1	135.2	177.3	28.9	-34.5	0	0	0	109.9	N1094	P1092-N1094 WeakPolarHBondContact CB-OD1 3.41Å; P1092-N1094 PolarHBondContact O-N 3Å; P1092-N1094 VanDerWaalsContact O-N 3.07Å
1093	F	88.6	Confident	89.7	Confident	42 Å²	42	46.5 Å²	46.5	18%	0.184	25%	0.245	C	C	.	.			trans	-83.5	85.4	178.8	-171.1	-95.9	0	0	0	110.2	L1088 V1091 Q1095 L1097 A1164 L1171	L1088-F1093 HydrophobicContact CD2-CB 3.45Å; L1088-F1093 VanDerWaalsContact CD2-CB 3.45Å; L1088-F1093 HydrophobicContact CD2-CG 4.38Å; V1091-F1093 PolarHBondContact O-N 2.71Å; F1093-Q1095 VanDerWaalsContact C-N 3.28Å; F1093-Q1095 HydrophobicContact CD1-CG 4.48Å; F1093-Q1095 VanDerWaalsContact CD1-O 3.24Å; F1093-Q1095 WeakPolarHBondContact CD1-O 3.46Å; F1093-Q1095 HydrophobicContact CE1-CG 4.05Å; F1093-Q1095 WeakPolarHBondContact CE1-O 3.15Å; F1093-Q1095 HydrophobicContact CE2-CG 4.07Å; F1093-Q1095 HydrophobicContact CZ-CG 3.83Å; F1093-Q1095 PolarHBondContact O-N 3.2Å; F1093-L1097 HydrophobicContact CE1-CG 4.48Å; F1093-L1097 HydrophobicContact CZ-CD1 3.83Å; F1093-L1097 HydrophobicContact CZ-CD2 4.42Å; F1093-L1097 HydrophobicContact CZ-CG 3.83Å; F1093-A1164 HydrophobicContact CB-CB 4.23Å; F1093-A1164 HydrophobicContact CD1-CB 4.37Å; F1093-L1171 HydrophobicContact CB-CD2 4.09Å; F1093-L1171 HydrophobicContact CD1-CD2 3.68Å; F1093-L1171 HydrophobicContact CD2-CD2 4.31Å; F1093-L1171 HydrophobicContact CE1-CD2 4.1Å; F1093-L1171 HydrophobicContact CG-CD2 3.78Å
1094	N	87.3	Confident	90	Very high	105 Å²	105	43.9 Å²	43.9	56%	0.561	23%	0.234	S	C	*	.			trans	-87.6	18.5	-171.8	-65.4	-21.7	0	0	0	114.6	P1092	P1092-N1094 WeakPolarHBondContact CB-OD1 3.41Å; P1092-N1094 PolarHBondContact O-N 3Å; P1092-N1094 VanDerWaalsContact O-N 3.07Å
1095	Q	91.1	Very high	90.3	Very high	40 Å²	40	45.1 Å²	45.1	19%	0.187	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	154.9	-178.3	69	-165.8	-43.1	0	0	111	F1093 L1097 E1120	F1093-Q1095 VanDerWaalsContact C-N 3.28Å; F1093-Q1095 HydrophobicContact CD1-CG 4.48Å; F1093-Q1095 VanDerWaalsContact CD1-O 3.24Å; F1093-Q1095 WeakPolarHBondContact CD1-O 3.46Å; F1093-Q1095 HydrophobicContact CE1-CG 4.05Å; F1093-Q1095 WeakPolarHBondContact CE1-O 3.15Å; F1093-Q1095 HydrophobicContact CE2-CG 4.07Å; F1093-Q1095 HydrophobicContact CZ-CG 3.83Å; F1093-Q1095 PolarHBondContact O-N 3.2Å; Q1095-L1097 HydrophobicContact CG-CD2 4Å; Q1095-E1120 VanDerWaalsContact CA-O 3.25Å; Q1095-E1120 WeakPolarHBondContact CA-O 3.48Å; Q1095-E1120 HydrophobicContact CB-CB 3.94Å
1096	T	93.6	Very high	90.6	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	126.7	170.3	-57.7	0	0	0	0	108.8	Y1098 P1117 T1118 E1120 S1121 K1122 R1161	T1096-Y1098 HydrophobicContact CG2-CD2 4.1Å; T1096-Y1098 HydrophobicContact CG2-CE1 4.35Å; T1096-Y1098 HydrophobicContact CG2-CE2 3.47Å; T1096-Y1098 VanDerWaalsContact CG2-CE2 3.47Å; T1096-P1117 HydrophobicContact CG2-CG 4.23Å; T1096-P1117 WeakPolarHBondContact OG1-CD 3.25Å; T1096-P1117 VanDerWaalsContact OG1-CG 3.3Å; T1096-P1117 WeakPolarHBondContact OG1-CG 3.37Å; T1096-T1118 WeakPolarHBondContact CB-OG1 3.46Å; T1096-T1118 PolarHBondContact N-OG1 3.01Å; T1096-T1118 PolarHBondContact OG1-OG1 3.22Å; T1096-E1120 PolarHBondContact N-O 3.32Å; T1096-S1121 CarbonylContact O-C 3.59Å; T1096-S1121 WeakPolarHBondContact O-CA 3.43Å; T1096-S1121 WeakPolarHBondContact O-CB 3.24Å; T1096-K1122 PolarHBondContact O-N 2.97Å; T1096-R1161 HydrophobicContact CG2-CG 3.67Å
1097	L	97.1	Very high	90.9	Very high	16 Å²	16	45.3 Å²	45.3	8%	0.084	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	130.8	175.4	-48.7	179.9	0	0	0	109.3	F1093 Q1095 F1099 K1122 I1124 R1161 V1162	F1093-L1097 HydrophobicContact CE1-CG 4.48Å; F1093-L1097 HydrophobicContact CZ-CD1 3.83Å; F1093-L1097 HydrophobicContact CZ-CD2 4.42Å; F1093-L1097 HydrophobicContact CZ-CG 3.83Å; Q1095-L1097 HydrophobicContact CG-CD2 4Å; L1097-F1099 HydrophobicContact CB-CD2 4.45Å; L1097-F1099 HydrophobicContact CB-CE2 3.81Å; L1097-F1099 HydrophobicContact CD1-CE2 4.31Å; L1097-F1099 HydrophobicContact CD1-CZ 4.46Å; L1097-K1122 HydrophobicContact CD2-CB 3.87Å; L1097-K1122 HydrophobicContact CD2-CD 4.17Å; L1097-K1122 HydrophobicContact CD2-CG 4.34Å; L1097-I1124 HydrophobicContact CB-CD1 4.14Å; L1097-I1124 HydrophobicContact CD1-CD1 4.3Å; L1097-I1124 HydrophobicContact CD2-CD1 4.27Å; L1097-I1124 HydrophobicContact CG-CD1 4.47Å; L1097-R1161 CarbonylContact O-C 3.56Å; L1097-R1161 WeakPolarHBondContact O-CA 3.4Å; L1097-V1162 HydrophobicContact CB-CB 4.19Å; L1097-V1162 PolarHBondContact N-O 3.18Å; L1097-V1162 PolarHBondContact O-N 3.48Å
1098	Y	97.2	Very high	91.2	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	123.1	173.7	-66.7	-87.8	0	0	0	108.7	T1096 W1110 M1111 Q1114 P1116 P1117 K1122 I1124 A1160 R1161	T1096-Y1098 HydrophobicContact CG2-CD2 4.1Å; T1096-Y1098 HydrophobicContact CG2-CE1 4.35Å; T1096-Y1098 HydrophobicContact CG2-CE2 3.47Å; T1096-Y1098 VanDerWaalsContact CG2-CE2 3.47Å; Y1098-W1110 AromaticContact CD1-CH2 3.79Å; Y1098-W1110 HydrophobicContact CD1-CH2 3.79Å; Y1098-W1110 AromaticContact CD1-CZ3 3.99Å; Y1098-W1110 HydrophobicContact CD1-CZ3 3.99Å; Y1098-W1110 HydrophobicContact CE1-CH2 4.18Å; Y1098-M1111 VanDerWaalsContact CB-SD 3.56Å; Y1098-M1111 HydrophobicContact CD1-CE 4.02Å; Y1098-M1111 HydrophobicContact CD1-SD 3.72Å; Y1098-M1111 HydrophobicContact CD2-CE 3.69Å; Y1098-M1111 HydrophobicContact CD2-SD 4.2Å; Y1098-M1111 HydrophobicContact CE1-CE 4.29Å; Y1098-M1111 HydrophobicContact CE1-SD 4.44Å; Y1098-M1111 HydrophobicContact CE2-CE 4Å; Y1098-M1111 HydrophobicContact CG-CE 3.7Å; Y1098-M1111 HydrophobicContact CG-SD 3.57Å; Y1098-M1111 VanDerWaalsContact CG-SD 3.57Å; Y1098-Q1114 HydrophobicContact CD1-CG 4.32Å; Y1098-Q1114 HydrophobicContact CE1-CB 3.94Å; Y1098-Q1114 HydrophobicContact CE1-CG 3.79Å; Y1098-P1116 WeakPolarHBondContact OH-CA 3.1Å; Y1098-P1117 WeakPolarHBondContact OH-CD 3.46Å; Y1098-K1122 PolarHBondContact N-O 2.68Å; Y1098-I1124 PolarHBondContact O-N 3.45Å; Y1098-A1160 WeakPolarHBondContact CA-O 3.01Å; Y1098-R1161 HydrophobicContact CD1-CB 4.38Å; Y1098-R1161 HydrophobicContact CD1-CG 4.24Å; Y1098-R1161 HydrophobicContact CE1-CB 4.4Å; Y1098-R1161 HydrophobicContact CE1-CG 3.92Å
1099	F	98.1	Very high	91.4	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	122.4	174.2	-65.8	-100.3	0	0	0	108.7	L1097 I1124 V1126 L1149 L1153 I1155 V1158 P1159 A1160 V1162	L1097-F1099 HydrophobicContact CB-CD2 4.45Å; L1097-F1099 HydrophobicContact CB-CE2 3.81Å; L1097-F1099 HydrophobicContact CD1-CE2 4.31Å; L1097-F1099 HydrophobicContact CD1-CZ 4.46Å; F1099-I1124 VanDerWaalsContact CA-O 3.3Å; F1099-I1124 WeakPolarHBondContact CA-O 3.35Å; F1099-I1124 HydrophobicContact CD1-CB 3.94Å; F1099-I1124 HydrophobicContact CD1-CD1 4.45Å; F1099-I1124 HydrophobicContact CD1-CG2 3.84Å; F1099-I1124 HydrophobicContact CE1-CB 4.02Å; F1099-I1124 HydrophobicContact CE1-CD1 3.8Å; F1099-I1124 HydrophobicContact CE1-CG2 3.74Å; F1099-I1124 HydrophobicContact CE2-CD1 4.06Å; F1099-I1124 HydrophobicContact CG-CB 4.43Å; F1099-I1124 HydrophobicContact CZ-CD1 3.57Å; F1099-V1126 HydrophobicContact CD1-CG1 4.42Å; F1099-L1149 HydrophobicContact CE1-CB 3.9Å; F1099-L1149 HydrophobicContact CE1-CD1 4.37Å; F1099-L1149 HydrophobicContact CZ-CB 3.99Å; F1099-L1149 HydrophobicContact CZ-CD1 4.3Å; F1099-L1153 HydrophobicContact CE2-CD1 4.05Å; F1099-L1153 HydrophobicContact CZ-CD1 3.8Å; F1099-I1155 HydrophobicContact CD1-CD1 4.12Å; F1099-I1155 HydrophobicContact CD2-CD1 3.49Å; F1099-I1155 VanDerWaalsContact CD2-CD1 3.49Å; F1099-I1155 HydrophobicContact CE1-CD1 4.13Å; F1099-I1155 HydrophobicContact CE2-CD1 3.51Å; F1099-I1155 HydrophobicContact CG-CD1 3.81Å; F1099-I1155 HydrophobicContact CZ-CD1 3.84Å; F1099-V1158 HydrophobicContact CB-CG1 3.75Å; F1099-P1159 VanDerWaalsContact O-CA 3.32Å; F1099-P1159 WeakPolarHBondContact O-CA 3.49Å; F1099-A1160 HydrophobicContact CB-CB 4.27Å; F1099-A1160 PolarHBondContact N-O 3.49Å; F1099-A1160 PolarHBondContact O-N 3.44Å; F1099-V1162 HydrophobicContact CD2-CG2 4.25Å; F1099-V1162 HydrophobicContact CE2-CG2 3.88Å
1100	I	97.1	Very high	91.9	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	154.5	-179.6	63.6	171.8	0	0	0	111.4	Q1107 W1110 M1111 I1123 I1124 L1125 V1126 L1137 P1159	I1100-Q1107 HydrophobicContact CB-CB 4.38Å; I1100-W1110 HydrophobicContact CG2-CE3 4.13Å; I1100-W1110 HydrophobicContact CG2-CZ3 3.92Å; I1100-M1111 HydrophobicContact CD1-CB 4.03Å; I1100-M1111 HydrophobicContact CD1-CG 4.1Å; I1100-M1111 HydrophobicContact CG2-CB 4.46Å; I1100-I1123 HydrophobicContact CD1-CG2 3.81Å; I1100-I1123 HydrophobicContact CG1-CG2 4.08Å; I1100-I1124 PolarHBondContact N-O 3.38Å; I1100-I1124 VanDerWaalsContact N-O 3.09Å; I1100-L1125 HydrophobicContact CD1-CD2 4.15Å; I1100-L1125 HydrophobicContact CG1-CD2 3.78Å; I1100-L1125 WeakPolarHBondContact O-CA 3.4Å; I1100-V1126 PolarHBondContact O-N 3.28Å; I1100-V1126 VanDerWaalsContact O-N 3.11Å; I1100-L1137 HydrophobicContact CD1-CD1 4.1Å; I1100-P1159 HydrophobicContact CG2-CB 4.3Å
1101	N	96.6	Very high	92.4	Very high	30 Å²	30	33.7 Å²	33.7	16%	0.16	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	111.9	160.4	-175.5	-9.4	0	0	0	108.9	D1103 D1104 V1126 Q1127 V1158	N1101-D1103 PolarHBondContact O-N 3.03Å; N1101-D1103 WeakPolarHBondContact OD1-CB 3.48Å; N1101-D1103 PolarHBondContact OD1-N 3.4Å; N1101-D1104 HydrophobicContact CB-CB 4.12Å; N1101-D1104 PolarHBondContact O-N 3.5Å; N1101-D1104 VanDerWaalsContact O-N 3.16Å; N1101-V1126 HydrophobicContact CB-CG2 4.34Å; N1101-Q1127 WeakPolarHBondContact OD1-CB 2.99Å; N1101-Q1127 PolarHBondContact OD1-O 2.94Å; N1101-V1158 HydrophobicContact CB-CG2 4.19Å
1102	G	94.5	Very high	92.9	Very high	6 Å²	6	34.8 Å²	34.8	6%	0.062	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-16.6	179.1	0	0	0	0	0	114.3	V1108 Q1127	G1102-V1108 WeakPolarHBondContact O-CG2 3.49Å; G1102-Q1127 PolarHBondContact N-O 2.95Å
1103	D	94	Very high	93.3	Very high	56 Å²	56	36.4 Å²	36.4	30%	0.299	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-15.7	173.3	-68	-28.2	0	0	0	113.1	R1042 N1101 P1105 Q1127 G1128	R1042-D1103 IonicContact CZ-OD1 2.78Å; R1042-D1103 IonicContact CZ-OD2 3.8Å; R1042-D1103 IonicContact NH1-OD1 3.43Å; R1042-D1103 IonicContact NH2-OD1 3.16Å; R1042-D1103 PolarHBondContact NH2-OD1 3.43Å; R1042-D1103 IonicContact NH2-OD2 3.62Å; R1042-D1103 PolarHBondContact NH2-OD2 2.8Å; N1101-D1103 PolarHBondContact O-N 3.03Å; N1101-D1103 WeakPolarHBondContact OD1-CB 3.48Å; N1101-D1103 PolarHBondContact OD1-N 3.4Å; D1103-P1105 VanDerWaalsContact O-CD 3.24Å; D1103-P1105 WeakPolarHBondContact O-CD 3.4Å; D1103-Q1127 WeakPolarHBondContact OD2-CG 3.48Å; D1103-Q1127 PolarHBondContact OD2-NE2 3.16Å; D1103-G1128 WeakPolarHBondContact OD1-CA 3.47Å
1104	D	94	Very high	93.3	Very high	25 Å²	25	36.4 Å²	36.4	13%	0.134	19%	0.194	C	C	.	.			trans	-89.4	107.6	-179.4	-175.9	-20.7	0	0	0	109.8	R1051 N1101 A1106 Q1107 V1108	R1051-D1104 IonicContact NE-OD2 2.85Å; N1101-D1104 HydrophobicContact CB-CB 4.12Å; N1101-D1104 PolarHBondContact O-N 3.5Å; N1101-D1104 VanDerWaalsContact O-N 3.16Å; D1104-A1106 PolarHBondContact O-N 3.24Å; D1104-A1106 VanDerWaalsContact O-N 3.15Å; D1104-A1106 WeakPolarHBondContact OD1-CB 3.43Å; D1104-A1106 PolarHBondContact OD1-N 3.44Å; D1104-Q1107 HydrophobicContact CB-CB 4.09Å; D1104-Q1107 HydrophobicContact CB-CG 3.83Å; D1104-Q1107 PolarHBondContact O-N 2.95Å; D1104-Q1107 WeakPolarHBondContact OD2-CG 3.43Å; D1104-Q1107 PolarHBondContact OD2-NE2 3.28Å; D1104-V1108 WeakPolarHBondContact O-CG2 3.35Å; D1104-V1108 PolarHBondContact O-N 3.35Å
1105	P	91.9	Very high	93.1	Very high	101 Å²	101	37.3 Å²	37.3	66%	0.656	20%	0.203	S	C	*	.	H	α-helix	trans	-61.7	-28.6	-176.3	-21.6	34.6	0	0	0	112.9	D1103 A1109	D1103-P1105 VanDerWaalsContact O-CD 3.24Å; D1103-P1105 WeakPolarHBondContact O-CD 3.4Å; P1105-A1109 VanDerWaalsContact O-CB 3.27Å; P1105-A1109 WeakPolarHBondContact O-CB 3.46Å; P1105-A1109 PolarHBondContact O-N 2.91Å
1106	A	92	Very high	92.6	Very high	31 Å²	31	37.7 Å²	37.7	26%	0.256	21%	0.209	S	C	.	.	H	α-helix	trans	-68.7	-38.5	177.8	0	0	0	0	0	110.9	D1104 W1110 A1178	D1104-A1106 PolarHBondContact O-N 3.24Å; D1104-A1106 VanDerWaalsContact O-N 3.15Å; D1104-A1106 WeakPolarHBondContact OD1-CB 3.43Å; D1104-A1106 PolarHBondContact OD1-N 3.44Å; A1106-W1110 VanDerWaalsContact O-CB 3.3Å; A1106-W1110 WeakPolarHBondContact O-CB 3.37Å; A1106-W1110 PolarHBondContact O-N 2.84Å; A1106-A1178 HydrophobicContact CB-CB 4.12Å
1107	Q	95	Very high	91.9	Very high	3 Å²	3	41.9 Å²	41.9	1%	0.014	24%	0.236	C	C	.	.	H	α-helix	trans	-72.3	-39.6	177	-61.3	-170.7	37.6	0	0	112.2	I1100 D1104 A1109 W1110 M1111 V1158 P1159 A1178	I1100-Q1107 HydrophobicContact CB-CB 4.38Å; D1104-Q1107 HydrophobicContact CB-CB 4.09Å; D1104-Q1107 HydrophobicContact CB-CG 3.83Å; D1104-Q1107 PolarHBondContact O-N 2.95Å; D1104-Q1107 WeakPolarHBondContact OD2-CG 3.43Å; D1104-Q1107 PolarHBondContact OD2-NE2 3.28Å; Q1107-A1109 VanDerWaalsContact C-N 3.34Å; Q1107-W1110 WeakPolarHBondContact O-CB 3.32Å; Q1107-W1110 PolarHBondContact O-N 3.02Å; Q1107-M1111 WeakPolarHBondContact O-CB 3.34Å; Q1107-M1111 PolarHBondContact O-N 3.33Å; Q1107-V1158 PolarHBondContact NE2-O 3.14Å; Q1107-P1159 HydrophobicContact CB-CG 4.03Å; Q1107-P1159 HydrophobicContact CG-CG 3.61Å; Q1107-A1178 HydrophobicContact CG-CB 4.03Å
1108	V	93	Very high	91.3	Very high	14 Å²	14	43 Å²	43	9%	0.085	24%	0.244	C	C	.	.	H	α-helix	trans	-61.9	-44.5	173.5	177.1	0	0	0	0	110.3	G1102 D1104 W1110 M1111 K1112 M1133 L1137	G1102-V1108 WeakPolarHBondContact O-CG2 3.49Å; D1104-V1108 WeakPolarHBondContact O-CG2 3.35Å; D1104-V1108 PolarHBondContact O-N 3.35Å; V1108-W1110 VanDerWaalsContact C-N 3.34Å; V1108-W1110 PolarHBondContact O-N 3.3Å; V1108-M1111 PolarHBondContact O-N 2.71Å; V1108-K1112 WeakPolarHBondContact O-CG 3.19Å; V1108-K1112 PolarHBondContact O-N 3.08Å; V1108-M1133 HydrophobicContact CG2-SD 3.78Å; V1108-L1137 HydrophobicContact CG1-CD2 4.08Å
1109	A	91	Very high	90.5	Very high	39 Å²	39	52.1 Å²	52.1	32%	0.322	29%	0.292	S	S	.	.	H	α-helix	trans	-64.7	-37.5	174.9	0	0	0	0	0	112.3	P1105 Q1107 R1113	P1105-A1109 VanDerWaalsContact O-CB 3.27Å; P1105-A1109 WeakPolarHBondContact O-CB 3.46Å; P1105-A1109 PolarHBondContact O-N 2.91Å; Q1107-A1109 VanDerWaalsContact C-N 3.34Å; A1109-R1113 WeakPolarHBondContact O-CG 3.35Å; A1109-R1113 PolarHBondContact O-N 2.9Å; A1109-R1113 PolarHBondContact O-NH1 3.47Å; A1109-R1113 VanDerWaalsContact O-NH1 3.12Å
1110	W	93.3	Very high	90	Very high	4 Å²	4	57.9 Å²	57.9	2%	0.015	32%	0.319	C	S	.	.	H	α-helix	trans	-62.2	-43.9	173.4	172.9	92.1	0	0	0	111.7	Y1098 I1100 A1106 Q1107 V1108 R1113 Q1114 P1159 I1176 A1178	Y1098-W1110 AromaticContact CD1-CH2 3.79Å; Y1098-W1110 HydrophobicContact CD1-CH2 3.79Å; Y1098-W1110 AromaticContact CD1-CZ3 3.99Å; Y1098-W1110 HydrophobicContact CD1-CZ3 3.99Å; Y1098-W1110 HydrophobicContact CE1-CH2 4.18Å; I1100-W1110 HydrophobicContact CG2-CE3 4.13Å; I1100-W1110 HydrophobicContact CG2-CZ3 3.92Å; A1106-W1110 VanDerWaalsContact O-CB 3.3Å; A1106-W1110 WeakPolarHBondContact O-CB 3.37Å; A1106-W1110 PolarHBondContact O-N 2.84Å; Q1107-W1110 WeakPolarHBondContact O-CB 3.32Å; Q1107-W1110 PolarHBondContact O-N 3.02Å; V1108-W1110 VanDerWaalsContact C-N 3.34Å; V1108-W1110 PolarHBondContact O-N 3.3Å; W1110-R1113 PolarHBondContact O-N 3.01Å; W1110-R1113 VanDerWaalsContact O-N 3.14Å; W1110-Q1114 HydrophobicContact CD2-CG 4.29Å; W1110-Q1114 VanDerWaalsContact CE2-NE2 3.31Å; W1110-Q1114 HydrophobicContact CE3-CG 4.19Å; W1110-Q1114 HydrophobicContact CH2-CG 4.07Å; W1110-Q1114 HydrophobicContact CZ2-CG 4.16Å; W1110-Q1114 HydrophobicContact CZ3-CG 4.07Å; W1110-Q1114 WeakPolarHBondContact O-CG 3.36Å; W1110-Q1114 PolarHBondContact O-N 3.32Å; W1110-Q1114 PolarHBondContact O-NE2 2.75Å; W1110-Q1114 VanDerWaalsContact O-NE2 3.1Å; W1110-P1159 HydrophobicContact CD2-CB 3.94Å; W1110-P1159 HydrophobicContact CD2-CG 3.99Å; W1110-P1159 HydrophobicContact CE3-CB 3.59Å; W1110-P1159 HydrophobicContact CE3-CG 3.86Å; W1110-P1159 HydrophobicContact CG-CG 4.43Å; W1110-P1159 HydrophobicContact CH2-CB 3.71Å; W1110-P1159 HydrophobicContact CZ2-CB 4.05Å; W1110-P1159 HydrophobicContact CZ3-CB 3.48Å; W1110-P1159 VanDerWaalsContact CZ3-CB 3.48Å; W1110-P1159 HydrophobicContact CZ3-CG 4.27Å; W1110-I1176 HydrophobicContact CZ2-CB 3.83Å; W1110-I1176 HydrophobicContact CZ2-CD1 3.81Å; W1110-I1176 HydrophobicContact CZ2-CG1 4.4Å; W1110-I1176 HydrophobicContact CZ2-CG2 3.98Å; W1110-A1178 HydrophobicContact CB-CB 4.1Å; W1110-A1178 HydrophobicContact CG-CB 4.47Å
1111	M	94.1	Very high	89.7	Confident	12 Å²	12	60.3 Å²	60.3	6%	0.059	34%	0.335	C	S	.	.	H	α-helix	trans	-63.2	-42	178.3	-172.4	61.8	-131.7	0	0	111.6	Y1098 I1100 Q1107 V1108 R1113 Q1114 I1123 L1137	Y1098-M1111 VanDerWaalsContact CB-SD 3.56Å; Y1098-M1111 HydrophobicContact CD1-CE 4.02Å; Y1098-M1111 HydrophobicContact CD1-SD 3.72Å; Y1098-M1111 HydrophobicContact CD2-CE 3.69Å; Y1098-M1111 HydrophobicContact CD2-SD 4.2Å; Y1098-M1111 HydrophobicContact CE1-CE 4.29Å; Y1098-M1111 HydrophobicContact CE1-SD 4.44Å; Y1098-M1111 HydrophobicContact CE2-CE 4Å; Y1098-M1111 HydrophobicContact CG-CE 3.7Å; Y1098-M1111 HydrophobicContact CG-SD 3.57Å; Y1098-M1111 VanDerWaalsContact CG-SD 3.57Å; I1100-M1111 HydrophobicContact CD1-CB 4.03Å; I1100-M1111 HydrophobicContact CD1-CG 4.1Å; I1100-M1111 HydrophobicContact CG2-CB 4.46Å; Q1107-M1111 WeakPolarHBondContact O-CB 3.34Å; Q1107-M1111 PolarHBondContact O-N 3.33Å; V1108-M1111 PolarHBondContact O-N 2.71Å; M1111-R1113 PolarHBondContact O-N 3.25Å; M1111-Q1114 HydrophobicContact CE-CB 4Å; M1111-Q1114 HydrophobicContact CE-CG 4.34Å; M1111-Q1114 WeakPolarHBondContact O-CB 3.4Å; M1111-Q1114 PolarHBondContact O-N 2.62Å; M1111-Q1114 HydrophobicContact SD-CG 4.3Å; M1111-I1123 HydrophobicContact CE-CD1 3.93Å; M1111-I1123 HydrophobicContact CE-CG1 3.96Å; M1111-I1123 HydrophobicContact CG-CD1 4.03Å; M1111-I1123 HydrophobicContact CG-CG1 4.49Å; M1111-I1123 HydrophobicContact CG-CG2 4.38Å; M1111-I1123 HydrophobicContact SD-CD1 4.4Å; M1111-I1123 HydrophobicContact SD-CG1 4.31Å; M1111-L1137 HydrophobicContact CB-CD2 4.25Å; M1111-L1137 HydrophobicContact CG-CD1 4.42Å; M1111-L1137 HydrophobicContact CG-CD2 4.15Å
1112	K	91.3	Very high	89.7	Confident	124 Å²	124	62.2 Å²	62.2	54%	0.539	34%	0.342	S	S	.	.	H	α-helix	trans	-60.9	-22.9	175.1	-72.2	-177	-179.9	-169.2	0	114.1	V1108 S1136 L1137	V1108-K1112 WeakPolarHBondContact O-CG 3.19Å; V1108-K1112 PolarHBondContact O-N 3.08Å; K1112-S1136 WeakPolarHBondContact CE-O 3.01Å; K1112-S1136 PolarHBondContact NZ-O 3.37Å; K1112-S1136 PolarHBondContact NZ-OG 3.22Å; K1112-L1137 HydrophobicContact CG-CD2 3.72Å
1113	R	89.2	Confident	89.8	Confident	116 Å²	116	62.3 Å²	62.3	44%	0.438	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-8.7	175.7	-65.8	-172.7	-59.4	-90.5	6.6	113.2	A1109 W1110 M1111 A1178	A1109-R1113 WeakPolarHBondContact O-CG 3.35Å; A1109-R1113 PolarHBondContact O-N 2.9Å; A1109-R1113 PolarHBondContact O-NH1 3.47Å; A1109-R1113 VanDerWaalsContact O-NH1 3.12Å; W1110-R1113 PolarHBondContact O-N 3.01Å; W1110-R1113 VanDerWaalsContact O-N 3.14Å; M1111-R1113 PolarHBondContact O-N 3.25Å; R1113-A1178 PolarHBondContact NH2-O 3.14Å
1114	Q	87.4	Confident	89.9	Confident	42 Å²	42	59.9 Å²	59.9	20%	0.196	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-77.8	127.8	-178.4	-59.6	-52.7	-61.3	0	0	110.5	Y1098 W1110 M1111	Y1098-Q1114 HydrophobicContact CD1-CG 4.32Å; Y1098-Q1114 HydrophobicContact CE1-CB 3.94Å; Y1098-Q1114 HydrophobicContact CE1-CG 3.79Å; W1110-Q1114 HydrophobicContact CD2-CG 4.29Å; W1110-Q1114 VanDerWaalsContact CE2-NE2 3.31Å; W1110-Q1114 HydrophobicContact CE3-CG 4.19Å; W1110-Q1114 HydrophobicContact CH2-CG 4.07Å; W1110-Q1114 HydrophobicContact CZ2-CG 4.16Å; W1110-Q1114 HydrophobicContact CZ3-CG 4.07Å; W1110-Q1114 WeakPolarHBondContact O-CG 3.36Å; W1110-Q1114 PolarHBondContact O-N 3.32Å; W1110-Q1114 PolarHBondContact O-NE2 2.75Å; W1110-Q1114 VanDerWaalsContact O-NE2 3.1Å; M1111-Q1114 HydrophobicContact CE-CB 4Å; M1111-Q1114 HydrophobicContact CE-CG 4.34Å; M1111-Q1114 WeakPolarHBondContact O-CB 3.4Å; M1111-Q1114 PolarHBondContact O-N 2.62Å; M1111-Q1114 HydrophobicContact SD-CG 4.3Å
1115	T	83.1	Confident	90.1	Very high	124 Å²	124	58.7 Å²	58.7	76%	0.761	32%	0.322	S	S	*	.	P	Polyproline II helix	trans	-93.6	116	160.6	-50.3	0	0	0	0	107.5
1116	P	80.8	Confident	90.3	Very high	49 Å²	49	54.1 Å²	54.1	32%	0.318	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-57.3	129.7	176.5	-25.4	35.1	0	0	0	111.2	Y1098 T1118 S1121	Y1098-P1116 WeakPolarHBondContact OH-CA 3.1Å; P1116-T1118 WeakPolarHBondContact CB-O 3.14Å; P1116-T1118 PolarHBondContact O-N 2.86Å; P1116-S1121 WeakPolarHBondContact CG-OG 3.1Å
1117	P	79	Confident	90.4	Very high	87 Å²	87	56.1 Å²	56.1	57%	0.565	30%	0.296	S	S	*	.	S	Bend	trans	-73	-13	176.5	29.4	-33.1	0	0	0	112.4	T1096 Y1098	T1096-P1117 HydrophobicContact CG2-CG 4.23Å; T1096-P1117 WeakPolarHBondContact OG1-CD 3.25Å; T1096-P1117 VanDerWaalsContact OG1-CG 3.3Å; T1096-P1117 WeakPolarHBondContact OG1-CG 3.37Å; Y1098-P1117 WeakPolarHBondContact OH-CD 3.46Å
1118	T	84.2	Confident	90.3	Very high	40 Å²	40	56 Å²	56	25%	0.245	30%	0.296	C	S	.	.	S	Bend	trans	-117.6	151.1	178.7	51	0	0	0	0	110.7	T1096 P1116 E1120	T1096-T1118 WeakPolarHBondContact CB-OG1 3.46Å; T1096-T1118 PolarHBondContact N-OG1 3.01Å; T1096-T1118 PolarHBondContact OG1-OG1 3.22Å; P1116-T1118 WeakPolarHBondContact CB-O 3.14Å; P1116-T1118 PolarHBondContact O-N 2.86Å; T1118-E1120 PolarHBondContact O-N 3.31Å; T1118-E1120 PolarHBondContact OG1-O 3.33Å
1119	L	81.6	Confident	90.3	Very high	191 Å²	191	55.8 Å²	55.8	100%	1	30%	0.295	S	S	*	.	S	Bend	trans	-56.2	-37	175.5	-76.7	161.5	0	0	0	112.3
1120	E	87.2	Confident	90.3	Very high	122 Å²	122	55.6 Å²	55.6	57%	0.57	29%	0.288	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100	135.3	174.6	-66	-172.9	178.9	0	0	110.9	Q1095 T1096 T1118	Q1095-E1120 VanDerWaalsContact CA-O 3.25Å; Q1095-E1120 WeakPolarHBondContact CA-O 3.48Å; Q1095-E1120 HydrophobicContact CB-CB 3.94Å; T1096-E1120 PolarHBondContact N-O 3.32Å; T1118-E1120 PolarHBondContact O-N 3.31Å; T1118-E1120 PolarHBondContact OG1-O 3.33Å
1121	S	91.4	Very high	90	Very high	50 Å²	50	58.2 Å²	58.2	35%	0.35	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	151.8	169.5	64.1	0	0	0	0	111.3	T1096 P1116	T1096-S1121 CarbonylContact O-C 3.59Å; T1096-S1121 WeakPolarHBondContact O-CA 3.43Å; T1096-S1121 WeakPolarHBondContact O-CB 3.24Å; P1116-S1121 WeakPolarHBondContact CG-OG 3.1Å
1122	K	95.8	Very high	89.8	Confident	70 Å²	70	63.2 Å²	63.2	30%	0.304	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	129.5	177.6	-66.2	-177.8	178.9	159	0	109.9	T1096 L1097 Y1098 I1124 Y1142	T1096-K1122 PolarHBondContact O-N 2.97Å; L1097-K1122 HydrophobicContact CD2-CB 3.87Å; L1097-K1122 HydrophobicContact CD2-CD 4.17Å; L1097-K1122 HydrophobicContact CD2-CG 4.34Å; Y1098-K1122 PolarHBondContact N-O 2.68Å; K1122-I1124 HydrophobicContact CB-CG1 4.44Å; K1122-Y1142 HydrophobicContact CB-CD2 3.98Å; K1122-Y1142 HydrophobicContact CB-CE2 4.01Å; K1122-Y1142 HydrophobicContact CD-CD2 4.37Å; K1122-Y1142 HydrophobicContact CD-CE2 3.97Å; K1122-Y1142 HydrophobicContact CG-CD2 4.19Å; K1122-Y1142 HydrophobicContact CG-CE2 3.73Å
1123	I	95.9	Very high	89.9	Confident	8 Å²	8	58.2 Å²	58.2	4%	0.041	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	117.9	173.3	-51.3	177.5	0	0	0	107.1	I1100 M1111 L1137 V1141 Y1142	I1100-I1123 HydrophobicContact CD1-CG2 3.81Å; I1100-I1123 HydrophobicContact CG1-CG2 4.08Å; M1111-I1123 HydrophobicContact CE-CD1 3.93Å; M1111-I1123 HydrophobicContact CE-CG1 3.96Å; M1111-I1123 HydrophobicContact CG-CD1 4.03Å; M1111-I1123 HydrophobicContact CG-CG1 4.49Å; M1111-I1123 HydrophobicContact CG-CG2 4.38Å; M1111-I1123 HydrophobicContact SD-CD1 4.4Å; M1111-I1123 HydrophobicContact SD-CG1 4.31Å; I1123-L1137 HydrophobicContact CD1-CB 4.29Å; I1123-L1137 HydrophobicContact CD1-CD1 3.9Å; I1123-L1137 HydrophobicContact CG2-CD1 3.98Å; I1123-V1141 HydrophobicContact CB-CG2 4.47Å; I1123-Y1142 PolarHBondContact O-N 3.04Å
1124	I	97.5	Very high	90	Very high	6 Å²	6	57.1 Å²	57.1	3%	0.031	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	116.7	-175	-56	169.8	0	0	0	107.8	L1097 Y1098 F1099 I1100 K1122 Y1142 D1144 L1149	L1097-I1124 HydrophobicContact CB-CD1 4.14Å; L1097-I1124 HydrophobicContact CD1-CD1 4.3Å; L1097-I1124 HydrophobicContact CD2-CD1 4.27Å; L1097-I1124 HydrophobicContact CG-CD1 4.47Å; Y1098-I1124 PolarHBondContact O-N 3.45Å; F1099-I1124 VanDerWaalsContact CA-O 3.3Å; F1099-I1124 WeakPolarHBondContact CA-O 3.35Å; F1099-I1124 HydrophobicContact CD1-CB 3.94Å; F1099-I1124 HydrophobicContact CD1-CD1 4.45Å; F1099-I1124 HydrophobicContact CD1-CG2 3.84Å; F1099-I1124 HydrophobicContact CE1-CB 4.02Å; F1099-I1124 HydrophobicContact CE1-CD1 3.8Å; F1099-I1124 HydrophobicContact CE1-CG2 3.74Å; F1099-I1124 HydrophobicContact CE2-CD1 4.06Å; F1099-I1124 HydrophobicContact CG-CB 4.43Å; F1099-I1124 HydrophobicContact CZ-CD1 3.57Å; I1100-I1124 PolarHBondContact N-O 3.38Å; I1100-I1124 VanDerWaalsContact N-O 3.09Å; K1122-I1124 HydrophobicContact CB-CG1 4.44Å; I1124-Y1142 CarbonylContact C-O 3.33Å; I1124-Y1142 WeakPolarHBondContact CA-O 3.36Å; I1124-D1144 HydrophobicContact CG2-CB 3.79Å; I1124-L1149 HydrophobicContact CD1-CD1 3.84Å
1125	L	97.3	Very high	90.1	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	135.3	174.6	-57.9	-176.3	0	0	0	110.2	I1100 I1130 M1133 V1141 Y1142 F1143 D1144	I1100-L1125 HydrophobicContact CD1-CD2 4.15Å; I1100-L1125 HydrophobicContact CG1-CD2 3.78Å; I1100-L1125 WeakPolarHBondContact O-CA 3.4Å; L1125-I1130 HydrophobicContact CD1-CG1 4.45Å; L1125-M1133 HydrophobicContact CD1-CB 3.98Å; L1125-M1133 HydrophobicContact CD1-CG 3.8Å; L1125-M1133 HydrophobicContact CD2-CB 4.42Å; L1125-M1133 HydrophobicContact CD2-CG 4.11Å; L1125-V1141 HydrophobicContact CD1-CG1 3.59Å; L1125-V1141 HydrophobicContact CD2-CG1 4.01Å; L1125-V1141 HydrophobicContact CG-CG1 3.45Å; L1125-V1141 VanDerWaalsContact CG-CG1 3.45Å; L1125-Y1142 PolarHBondContact N-O 3.25Å; L1125-F1143 HydrophobicContact CB-CD2 3.66Å; L1125-F1143 HydrophobicContact CB-CE2 4.12Å; L1125-F1143 HydrophobicContact CB-CG 4.34Å; L1125-F1143 HydrophobicContact CD1-CD2 4.42Å; L1125-F1143 WeakPolarHBondContact O-CA 3.47Å; L1125-D1144 PolarHBondContact O-N 3.42Å
1126	V	96.5	Very high	90.3	Very high	5 Å²	5	60.1 Å²	60.1	3%	0.03	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	-18.7	163.2	-61.4	0	0	0	0	111.7	A1045 V1046 I1049 F1099 I1100 N1101 F1143 V1158	A1045-V1126 CarbonylContact C-O 3.56Å; A1045-V1126 WeakPolarHBondContact CA-O 3.29Å; V1046-V1126 HydrophobicContact CB-CB 4.19Å; V1046-V1126 HydrophobicContact CG2-CB 4.17Å; V1046-V1126 PolarHBondContact N-O 3.22Å; I1049-V1126 HydrophobicContact CB-CG2 4.49Å; I1049-V1126 HydrophobicContact CG1-CB 4.4Å; I1049-V1126 HydrophobicContact CG1-CG1 4.41Å; I1049-V1126 HydrophobicContact CG2-CB 4.49Å; I1049-V1126 HydrophobicContact CG2-CG1 4.44Å; I1049-V1126 HydrophobicContact CG2-CG2 4.09Å; F1099-V1126 HydrophobicContact CD1-CG1 4.42Å; I1100-V1126 PolarHBondContact O-N 3.28Å; I1100-V1126 VanDerWaalsContact O-N 3.11Å; N1101-V1126 HydrophobicContact CB-CG2 4.34Å; V1126-F1143 WeakPolarHBondContact O-CZ 3.47Å; V1126-V1158 HydrophobicContact CG1-CG1 4.17Å; V1126-V1158 HydrophobicContact CG2-CG1 4.28Å; V1126-V1158 HydrophobicContact CG2-CG2 3.82Å
1127	Q	94.9	Very high	90.7	Very high	72 Å²	72	58.8 Å²	58.8	34%	0.336	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.4	150.1	178.8	176	175.2	-19	0	0	108.9	A1045 N1101 G1102 D1103	A1045-Q1127 HydrophobicContact CB-CB 3.9Å; A1045-Q1127 HydrophobicContact CB-CG 3.89Å; N1101-Q1127 WeakPolarHBondContact OD1-CB 2.99Å; N1101-Q1127 PolarHBondContact OD1-O 2.94Å; G1102-Q1127 PolarHBondContact N-O 2.95Å; D1103-Q1127 WeakPolarHBondContact OD2-CG 3.48Å; D1103-Q1127 PolarHBondContact OD2-NE2 3.16Å
1128	G	92.8	Very high	91.2	Very high	1 Å²	1	61.7 Å²	61.7	1%	0.01	32%	0.316	C	S	.	.	S	Bend	trans	119.9	174.6	176.5	0	0	0	0	0	113.6	D1103	D1103-G1128 WeakPolarHBondContact OD1-CA 3.47Å
1129	S	92	Very high	91.2	Very high	9 Å²	9	62.6 Å²	62.6	6%	0.063	32%	0.324	C	S	.	.			trans	-85.4	126.6	177.5	178.2	0	0	0	0	111.6	L1041 P1131 E1132 M1133	L1041-S1129 WeakPolarHBondContact O-CA 3.48Å; L1041-S1129 PolarHBondContact O-OG 3.39Å; L1041-S1129 VanDerWaalsContact O-OG 3.09Å; S1129-P1131 WeakPolarHBondContact OG-CD 3.17Å; S1129-E1132 WeakPolarHBondContact CB-OE2 2.81Å; S1129-M1133 WeakPolarHBondContact O-CB 3.36Å; S1129-M1133 WeakPolarHBondContact O-CG 3.3Å; S1129-M1133 PolarHBondContact O-N 2.77Å; S1129-M1133 VanDerWaalsContact O-N 3.09Å
1130	I	90.5	Very high	91.6	Very high	35 Å²	35	57 Å²	57	18%	0.179	30%	0.3	C	S	.	.	H	α-helix	trans	-60.8	-55.5	178.4	-59.6	172.7	0	0	0	111.7	L1041 P1043 L1125 E1132 M1133 Q1134 F1143	L1041-I1130 PolarHBondContact O-N 3.41Å; P1043-I1130 HydrophobicContact CG-CD1 3.85Å; P1043-I1130 HydrophobicContact CG-CG1 4.47Å; L1125-I1130 HydrophobicContact CD1-CG1 4.45Å; I1130-E1132 PolarHBondContact O-N 3.44Å; I1130-M1133 PolarHBondContact O-N 3.32Å; I1130-Q1134 WeakPolarHBondContact O-CB 3.23Å; I1130-Q1134 PolarHBondContact O-N 3.23Å; I1130-F1143 HydrophobicContact CD1-CB 3.85Å; I1130-F1143 HydrophobicContact CG1-CB 4.2Å; I1130-F1143 HydrophobicContact CG1-CD2 4.26Å
1131	P	88.2	Confident	91.9	Very high	59 Å²	59	51.6 Å²	51.6	38%	0.383	28%	0.275	S	S	.	.	H	α-helix	trans	-65.3	-36.8	-177.4	21.9	-32.8	0	0	0	113.7	L1041 S1129 M1133 K1135	L1041-P1131 HydrophobicContact CD2-CG 3.83Å; S1129-P1131 WeakPolarHBondContact OG-CD 3.17Å; P1131-M1133 VanDerWaalsContact C-N 3.35Å; P1131-K1135 WeakPolarHBondContact O-CB 3.38Å; P1131-K1135 PolarHBondContact O-N 2.93Å
1132	E	90.1	Very high	92	Very high	117 Å²	117	54.1 Å²	54.1	55%	0.547	28%	0.278	S	S	.	.	H	α-helix	trans	-64.9	-40.6	176.1	-64.5	177.4	165.5	0	0	111.3	S1129 I1130 K1135 S1136	S1129-E1132 WeakPolarHBondContact CB-OE2 2.81Å; I1130-E1132 PolarHBondContact O-N 3.44Å; E1132-K1135 PolarHBondContact O-N 3.04Å; E1132-S1136 VanDerWaalsContact O-CB 3.31Å; E1132-S1136 WeakPolarHBondContact O-CB 3.46Å; E1132-S1136 PolarHBondContact O-N 2.78Å
1133	M	92.8	Very high	92	Very high	19 Å²	19	51.9 Å²	51.9	9%	0.094	27%	0.268	C	S	.	.	H	α-helix	trans	-71.3	-40.3	177.4	-70.2	-57.2	93.6	0	0	112.9	V1108 L1125 S1129 I1130 P1131 K1135 S1136 L1137 V1141	V1108-M1133 HydrophobicContact CG2-SD 3.78Å; L1125-M1133 HydrophobicContact CD1-CB 3.98Å; L1125-M1133 HydrophobicContact CD1-CG 3.8Å; L1125-M1133 HydrophobicContact CD2-CB 4.42Å; L1125-M1133 HydrophobicContact CD2-CG 4.11Å; S1129-M1133 WeakPolarHBondContact O-CB 3.36Å; S1129-M1133 WeakPolarHBondContact O-CG 3.3Å; S1129-M1133 PolarHBondContact O-N 2.77Å; S1129-M1133 VanDerWaalsContact O-N 3.09Å; I1130-M1133 PolarHBondContact O-N 3.32Å; P1131-M1133 VanDerWaalsContact C-N 3.35Å; M1133-K1135 VanDerWaalsContact C-N 3.25Å; M1133-K1135 PolarHBondContact O-N 2.97Å; M1133-S1136 PolarHBondContact O-N 2.91Å; M1133-L1137 WeakPolarHBondContact O-CB 3.47Å; M1133-L1137 PolarHBondContact O-N 3.36Å; M1133-V1141 HydrophobicContact CB-CG1 4.19Å; M1133-V1141 HydrophobicContact CB-CG2 4.21Å
1134	Q	91.5	Very high	92	Very high	93 Å²	93	51.8 Å²	51.8	44%	0.435	27%	0.268	S	S	.	.	H	α-helix	trans	-59.3	-39.4	174	178.6	161.8	-9.2	0	0	111.2	I1130 D1138 S1139 V1141	I1130-Q1134 WeakPolarHBondContact O-CB 3.23Å; I1130-Q1134 PolarHBondContact O-N 3.23Å; Q1134-D1138 WeakPolarHBondContact O-CA 3.33Å; Q1134-D1138 PolarHBondContact O-N 2.96Å; Q1134-D1138 VanDerWaalsContact O-N 3.09Å; Q1134-S1139 WeakPolarHBondContact CG-O 3.14Å; Q1134-S1139 PolarHBondContact O-N 2.97Å; Q1134-V1141 HydrophobicContact CB-CB 4.36Å; Q1134-V1141 HydrophobicContact CB-CG2 4.25Å
1135	K	88.5	Confident	91.5	Very high	182 Å²	182	57.8 Å²	57.8	79%	0.791	30%	0.296	S	S	*	.	H	α-helix	trans	-70.8	-40.9	173.7	-170	178.4	-177.7	-179.4	0	113	P1131 E1132 M1133	P1131-K1135 WeakPolarHBondContact O-CB 3.38Å; P1131-K1135 PolarHBondContact O-N 2.93Å; E1132-K1135 PolarHBondContact O-N 3.04Å; M1133-K1135 VanDerWaalsContact C-N 3.25Å; M1133-K1135 PolarHBondContact O-N 2.97Å
1136	S	87.6	Confident	91.1	Very high	47 Å²	47	64.9 Å²	64.9	33%	0.329	33%	0.334	S	S	.	.	H	α-helix	trans	-71.8	-36.3	-177.2	-177.8	0	0	0	0	113.2	K1112 E1132 M1133	K1112-S1136 WeakPolarHBondContact CE-O 3.01Å; K1112-S1136 PolarHBondContact NZ-O 3.37Å; K1112-S1136 PolarHBondContact NZ-OG 3.22Å; E1132-S1136 VanDerWaalsContact O-CB 3.31Å; E1132-S1136 WeakPolarHBondContact O-CB 3.46Å; E1132-S1136 PolarHBondContact O-N 2.78Å; M1133-S1136 PolarHBondContact O-N 2.91Å
1137	L	89.8	Confident	90.8	Very high	21 Å²	21	64.8 Å²	64.8	11%	0.11	33%	0.334	C	S	.	.	H	α-helix	trans	-95.7	-7.7	-177.7	-63.3	170.7	0	0	0	113	I1100 V1108 M1111 K1112 I1123 M1133 S1139 V1141	I1100-L1137 HydrophobicContact CD1-CD1 4.1Å; V1108-L1137 HydrophobicContact CG1-CD2 4.08Å; M1111-L1137 HydrophobicContact CB-CD2 4.25Å; M1111-L1137 HydrophobicContact CG-CD1 4.42Å; M1111-L1137 HydrophobicContact CG-CD2 4.15Å; K1112-L1137 HydrophobicContact CG-CD2 3.72Å; I1123-L1137 HydrophobicContact CD1-CB 4.29Å; I1123-L1137 HydrophobicContact CD1-CD1 3.9Å; I1123-L1137 HydrophobicContact CG2-CD1 3.98Å; M1133-L1137 WeakPolarHBondContact O-CB 3.47Å; M1133-L1137 PolarHBondContact O-N 3.36Å; L1137-S1139 PolarHBondContact O-N 3.3Å; L1137-S1139 PolarHBondContact O-OG 3.14Å; L1137-V1141 HydrophobicContact CD1-CG2 4.28Å
1138	D	88.8	Confident	90.6	Very high	149 Å²	149	65.7 Å²	65.7	80%	0.797	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.9	46.3	-176.4	-163.2	33	0	0	0	112.2	Q1134	Q1134-D1138 WeakPolarHBondContact O-CA 3.33Å; Q1134-D1138 PolarHBondContact O-N 2.96Å; Q1134-D1138 VanDerWaalsContact O-N 3.09Å
1139	S	85.5	Confident	90.7	Very high	58 Å²	58	68.9 Å²	68.9	41%	0.406	36%	0.361	S	S	.	.	S	Bend	trans	-153.8	154.6	-172.3	-76	0	0	0	0	110.6	Q1134 L1137 V1141	Q1134-S1139 WeakPolarHBondContact CG-O 3.14Å; Q1134-S1139 PolarHBondContact O-N 2.97Å; L1137-S1139 PolarHBondContact O-N 3.3Å; L1137-S1139 PolarHBondContact O-OG 3.14Å; S1139-V1141 PolarHBondContact O-N 3.48Å
1140	C	89.1	Confident	90.9	Very high	73 Å²	73	68.6 Å²	68.6	49%	0.493	36%	0.359	S	S	.	.			trans	-64.1	125.3	173.7	-169.3	0	0	0	0	110.1	Y1142	C1140-Y1142 HydrophobicContact CB-CE2 4.38Å
1141	V	92.4	Very high	91	Very high	9 Å²	9	74.6 Å²	74.6	6%	0.055	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	134.1	-177.4	176.3	0	0	0	0	109.9	I1123 L1125 M1133 Q1134 L1137 S1139	I1123-V1141 HydrophobicContact CB-CG2 4.47Å; L1125-V1141 HydrophobicContact CD1-CG1 3.59Å; L1125-V1141 HydrophobicContact CD2-CG1 4.01Å; L1125-V1141 HydrophobicContact CG-CG1 3.45Å; L1125-V1141 VanDerWaalsContact CG-CG1 3.45Å; M1133-V1141 HydrophobicContact CB-CG1 4.19Å; M1133-V1141 HydrophobicContact CB-CG2 4.21Å; Q1134-V1141 HydrophobicContact CB-CB 4.36Å; Q1134-V1141 HydrophobicContact CB-CG2 4.25Å; L1137-V1141 HydrophobicContact CD1-CG2 4.28Å; S1139-V1141 PolarHBondContact O-N 3.48Å
1142	Y	95.1	Very high	91.1	Very high	104 Å²	104	79.3 Å²	79.3	41%	0.408	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	165.9	177.7	-59.3	-90.1	0	0	0	109.8	K1122 I1123 I1124 L1125 C1140	K1122-Y1142 HydrophobicContact CB-CD2 3.98Å; K1122-Y1142 HydrophobicContact CB-CE2 4.01Å; K1122-Y1142 HydrophobicContact CD-CD2 4.37Å; K1122-Y1142 HydrophobicContact CD-CE2 3.97Å; K1122-Y1142 HydrophobicContact CG-CD2 4.19Å; K1122-Y1142 HydrophobicContact CG-CE2 3.73Å; I1123-Y1142 PolarHBondContact O-N 3.04Å; I1124-Y1142 CarbonylContact C-O 3.33Å; I1124-Y1142 WeakPolarHBondContact CA-O 3.36Å; L1125-Y1142 PolarHBondContact N-O 3.25Å; C1140-Y1142 HydrophobicContact CB-CE2 4.38Å
1143	F	95.3	Very high	91.3	Very high	23 Å²	23	74.3 Å²	74.3	10%	0.101	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	134.5	172.9	-163.2	-74.9	0	0	0	108.9	P1043 P1044 V1046 L1125 V1126 I1130 Q1145	P1043-F1143 HydrophobicContact CB-CD1 3.84Å; P1043-F1143 HydrophobicContact CB-CD2 4.12Å; P1043-F1143 HydrophobicContact CB-CE1 3.77Å; P1043-F1143 HydrophobicContact CB-CE2 4.03Å; P1043-F1143 HydrophobicContact CB-CG 4.04Å; P1043-F1143 HydrophobicContact CB-CZ 3.86Å; P1043-F1143 HydrophobicContact CG-CB 4.32Å; P1043-F1143 HydrophobicContact CG-CD1 4.15Å; P1043-F1143 HydrophobicContact CG-CD2 3.83Å; P1043-F1143 HydrophobicContact CG-CE1 4.47Å; P1043-F1143 HydrophobicContact CG-CE2 4.16Å; P1043-F1143 HydrophobicContact CG-CG 3.84Å; P1043-F1143 HydrophobicContact CG-CZ 4.47Å; P1044-F1143 VanDerWaalsContact O-CE1 3.28Å; P1044-F1143 WeakPolarHBondContact O-CE1 3.19Å; P1044-F1143 VanDerWaalsContact O-CZ 3.27Å; P1044-F1143 WeakPolarHBondContact O-CZ 3.34Å; V1046-F1143 HydrophobicContact CG2-CE1 4.33Å; L1125-F1143 HydrophobicContact CB-CD2 3.66Å; L1125-F1143 HydrophobicContact CB-CE2 4.12Å; L1125-F1143 HydrophobicContact CB-CG 4.34Å; L1125-F1143 HydrophobicContact CD1-CD2 4.42Å; L1125-F1143 WeakPolarHBondContact O-CA 3.47Å; V1126-F1143 WeakPolarHBondContact O-CZ 3.47Å; I1130-F1143 HydrophobicContact CD1-CB 3.85Å; I1130-F1143 HydrophobicContact CG1-CB 4.2Å; I1130-F1143 HydrophobicContact CG1-CD2 4.26Å; F1143-Q1145 VanDerWaalsContact C-N 3.28Å; F1143-Q1145 HydrophobicContact CD1-CG 4.47Å; F1143-Q1145 PolarHBondContact O-N 2.7Å
1144	D	95.3	Very high	91.2	Very high	5 Å²	5	74.9 Å²	74.9	3%	0.027	38%	0.383	C	S	.	.			trans	-77.9	77.4	177.2	-172.7	22.2	0	0	0	110.9	V1046 I1124 L1125 N1146 G1147 V1148 L1149 C1150	V1046-D1144 HydrophobicContact CG2-CB 4.19Å; V1046-D1144 WeakPolarHBondContact CG2-O 3.43Å; I1124-D1144 HydrophobicContact CG2-CB 3.79Å; L1125-D1144 PolarHBondContact O-N 3.42Å; D1144-N1146 PolarHBondContact O-N 2.6Å; D1144-G1147 PolarHBondContact O-N 3.2Å; D1144-G1147 VanDerWaalsContact OD2-C 3.26Å; D1144-G1147 VanDerWaalsContact OD2-CA 3.28Å; D1144-G1147 WeakPolarHBondContact OD2-CA 3.43Å; D1144-V1148 PolarHBondContact OD1-N 3.02Å; D1144-V1148 VanDerWaalsContact OD1-N 3.14Å; D1144-L1149 WeakPolarHBondContact OD1-CB 3.26Å; D1144-L1149 PolarHBondContact OD1-N 2.7Å; D1144-L1149 PolarHBondContact OD2-N 2.87Å; D1144-C1150 WeakPolarHBondContact OD2-CB 3.48Å; D1144-C1150 PolarHBondContact OD2-N 3.3Å; D1144-C1150 PolarHBondContact OD2-SG 3.05Å
1145	Q	87.3	Confident	91.4	Very high	132 Å²	132	70.7 Å²	70.7	62%	0.617	36%	0.364	S	S	*	.	G	3₁₀ helix	trans	-57.5	126.7	-176.9	-70.5	-174.4	2.7	0	0	111.1	F1143 G1147	F1143-Q1145 VanDerWaalsContact C-N 3.28Å; F1143-Q1145 HydrophobicContact CD1-CG 4.47Å; F1143-Q1145 PolarHBondContact O-N 2.7Å; Q1145-G1147 PolarHBondContact O-N 3.03Å; Q1145-G1147 VanDerWaalsContact O-N 3.14Å
1146	N	88.2	Confident	91.7	Very high	149 Å²	149	66 Å²	66	80%	0.797	35%	0.348	S	S	*	.	G	3₁₀ helix	trans	60	11.1	-175	-52	-47.1	0	0	0	115.1	D1144 V1148	D1144-N1146 PolarHBondContact O-N 2.6Å; N1146-V1148 HydrophobicContact CB-CG2 4.47Å; N1146-V1148 PolarHBondContact O-N 2.85Å
1147	G	90.2	Very high	92.1	Very high	4 Å²	4	67.2 Å²	67.2	4%	0.041	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	71.8	22.8	176.1	0	0	0	0	0	115.3	V1046 D1144 Q1145 L1149 C1150 Q1151	V1046-G1147 VanDerWaalsContact CG1-CA 3.42Å; D1144-G1147 PolarHBondContact O-N 3.2Å; D1144-G1147 VanDerWaalsContact OD2-C 3.26Å; D1144-G1147 VanDerWaalsContact OD2-CA 3.28Å; D1144-G1147 WeakPolarHBondContact OD2-CA 3.43Å; Q1145-G1147 PolarHBondContact O-N 3.03Å; Q1145-G1147 VanDerWaalsContact O-N 3.14Å; G1147-L1149 VanDerWaalsContact C-N 3.34Å; G1147-L1149 PolarHBondContact O-N 2.93Å; G1147-C1150 PolarHBondContact O-N 2.89Å; G1147-Q1151 VanDerWaalsContact O-CB 3.25Å; G1147-Q1151 WeakPolarHBondContact O-CB 3.49Å; G1147-Q1151 PolarHBondContact O-N 3.28Å
1148	V	92.2	Very high	92.4	Very high	90 Å²	90	66.4 Å²	66.4	55%	0.545	34%	0.344	S	S	.	.	H	α-helix	trans	-61.4	-42.4	-173.3	177.1	0	0	0	0	111.5	D1144 N1146 R1152	D1144-V1148 PolarHBondContact OD1-N 3.02Å; D1144-V1148 VanDerWaalsContact OD1-N 3.14Å; N1146-V1148 HydrophobicContact CB-CG2 4.47Å; N1146-V1148 PolarHBondContact O-N 2.85Å; V1148-R1152 VanDerWaalsContact O-CB 3.27Å; V1148-R1152 WeakPolarHBondContact O-CB 3.41Å; V1148-R1152 PolarHBondContact O-N 2.83Å; V1148-R1152 VanDerWaalsContact O-N 3.07Å
1149	L	94.2	Very high	92.9	Very high	68 Å²	68	59.3 Å²	59.3	36%	0.356	31%	0.306	S	S	.	.	H	α-helix	trans	-72.7	-44.6	178.6	-65.9	175.9	0	0	0	111.2	F1099 I1124 D1144 G1147 Q1151 R1152 L1153	F1099-L1149 HydrophobicContact CE1-CB 3.9Å; F1099-L1149 HydrophobicContact CE1-CD1 4.37Å; F1099-L1149 HydrophobicContact CZ-CB 3.99Å; F1099-L1149 HydrophobicContact CZ-CD1 4.3Å; I1124-L1149 HydrophobicContact CD1-CD1 3.84Å; D1144-L1149 WeakPolarHBondContact OD1-CB 3.26Å; D1144-L1149 PolarHBondContact OD1-N 2.7Å; D1144-L1149 PolarHBondContact OD2-N 2.87Å; G1147-L1149 VanDerWaalsContact C-N 3.34Å; G1147-L1149 PolarHBondContact O-N 2.93Å; L1149-Q1151 VanDerWaalsContact C-N 3.34Å; L1149-Q1151 PolarHBondContact O-N 3.29Å; L1149-R1152 PolarHBondContact O-N 3.03Å; L1149-L1153 HydrophobicContact CB-CD1 4.44Å; L1149-L1153 VanDerWaalsContact O-CB 3.28Å; L1149-L1153 WeakPolarHBondContact O-CB 3.45Å; L1149-L1153 WeakPolarHBondContact O-CG 3.2Å; L1149-L1153 PolarHBondContact O-N 2.87Å
1150	C	95.8	Very high	93.4	Very high	3 Å²	3	56.5 Å²	56.5	2%	0.02	29%	0.287	C	S	.	.	H	α-helix	trans	-58.8	-46.9	177.4	-69.1	0	0	0	0	110.8	V1046 I1049 D1144 G1147 R1152 L1153 G1154 I1155	V1046-C1150 HydrophobicContact CG1-CB 4.43Å; I1049-C1150 HydrophobicContact CD1-CB 3.89Å; D1144-C1150 WeakPolarHBondContact OD2-CB 3.48Å; D1144-C1150 PolarHBondContact OD2-N 3.3Å; D1144-C1150 PolarHBondContact OD2-SG 3.05Å; G1147-C1150 PolarHBondContact O-N 2.89Å; C1150-R1152 PolarHBondContact O-N 3.19Å; C1150-L1153 PolarHBondContact O-N 3.42Å; C1150-G1154 CarbonylContact O-C 3.52Å; C1150-G1154 VanDerWaalsContact O-CA 3.27Å; C1150-G1154 WeakPolarHBondContact O-CA 3.31Å; C1150-G1154 PolarHBondContact O-N 2.88Å; C1150-I1155 HydrophobicContact CB-CB 4.17Å; C1150-I1155 PolarHBondContact O-N 3.02Å
1151	Q	92.5	Very high	93.7	Very high	162 Å²	162	55.7 Å²	55.7	76%	0.757	27%	0.273	S	S	*	.	H	α-helix	trans	-61.4	-46.3	177	-172.4	-179.3	19.1	0	0	111.8	G1147 L1149 G1154	G1147-Q1151 VanDerWaalsContact O-CB 3.25Å; G1147-Q1151 WeakPolarHBondContact O-CB 3.49Å; G1147-Q1151 PolarHBondContact O-N 3.28Å; L1149-Q1151 VanDerWaalsContact C-N 3.34Å; L1149-Q1151 PolarHBondContact O-N 3.29Å; Q1151-G1154 PolarHBondContact O-N 3.32Å
1152	R	91.5	Very high	93.9	Very high	158 Å²	158	55.3 Å²	55.3	60%	0.596	27%	0.271	S	S	*	.	H	α-helix	trans	-66.6	-40.7	-178.3	-174.7	170.6	-176.3	143.4	0.9	112.6	F1060 V1148 L1149 C1150 G1154	F1060-R1152 WeakPolarHBondContact CE2-O 3.14Å; F1060-R1152 HydrophobicContact CZ-CG 4.34Å; F1060-R1152 WeakPolarHBondContact CZ-O 3.43Å; V1148-R1152 VanDerWaalsContact O-CB 3.27Å; V1148-R1152 WeakPolarHBondContact O-CB 3.41Å; V1148-R1152 PolarHBondContact O-N 2.83Å; V1148-R1152 VanDerWaalsContact O-N 3.07Å; L1149-R1152 PolarHBondContact O-N 3.03Å; C1150-R1152 PolarHBondContact O-N 3.19Å; R1152-G1154 VanDerWaalsContact C-N 3.27Å
1153	L	93.4	Very high	93.8	Very high	12 Å²	12	51.3 Å²	51.3	6%	0.063	26%	0.258	C	S	.	.	H	α-helix	trans	-85.2	-4.4	179.4	-63.6	166.3	0	0	0	112.3	R1058 F1060 F1099 L1149 C1150 I1155 V1162 L1171	R1058-L1153 PolarHBondContact NH2-O 3.48Å; F1060-L1153 HydrophobicContact CD1-CD2 3.81Å; F1060-L1153 HydrophobicContact CE1-CD2 3.85Å; F1060-L1153 HydrophobicContact CG-CD2 4.22Å; F1060-L1153 HydrophobicContact CZ-CD2 4.32Å; F1099-L1153 HydrophobicContact CE2-CD1 4.05Å; F1099-L1153 HydrophobicContact CZ-CD1 3.8Å; L1149-L1153 HydrophobicContact CB-CD1 4.44Å; L1149-L1153 VanDerWaalsContact O-CB 3.28Å; L1149-L1153 WeakPolarHBondContact O-CB 3.45Å; L1149-L1153 WeakPolarHBondContact O-CG 3.2Å; L1149-L1153 PolarHBondContact O-N 2.87Å; C1150-L1153 PolarHBondContact O-N 3.42Å; L1153-I1155 VanDerWaalsContact C-N 3.3Å; L1153-I1155 HydrophobicContact CB-CD1 3.93Å; L1153-I1155 HydrophobicContact CB-CG1 3.91Å; L1153-I1155 HydrophobicContact CD1-CD1 4.06Å; L1153-I1155 PolarHBondContact O-N 3.44Å; L1153-V1162 HydrophobicContact CD1-CG2 4.28Å; L1153-L1171 HydrophobicContact CD2-CD1 4.39Å
1154	G	91.6	Very high	93.5	Very high	30 Å²	30	51.9 Å²	51.9	31%	0.309	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.6	17.3	-176.4	0	0	0	0	0	115	R1058 C1150 Q1151 R1152 D1156	R1058-G1154 VanDerWaalsContact CZ-O 3.29Å; R1058-G1154 PolarHBondContact NH1-O 3.44Å; R1058-G1154 VanDerWaalsContact NH1-O 3.07Å; R1058-G1154 VanDerWaalsContact NH2-CA 3.33Å; R1058-G1154 PolarHBondContact NH2-O 3.22Å; C1150-G1154 CarbonylContact O-C 3.52Å; C1150-G1154 VanDerWaalsContact O-CA 3.27Å; C1150-G1154 WeakPolarHBondContact O-CA 3.31Å; C1150-G1154 PolarHBondContact O-N 2.88Å; Q1151-G1154 PolarHBondContact O-N 3.32Å; R1152-G1154 VanDerWaalsContact C-N 3.27Å; G1154-D1156 PolarHBondContact O-N 3.39Å
1155	I	95.6	Very high	93.1	Very high	5 Å²	5	53.3 Å²	53.3	3%	0.026	28%	0.276	C	S	.	.			trans	-68.8	117	-176.1	-61.1	170.8	0	0	0	108	I1049 F1099 C1150 L1153 Q1157 V1158 A1160 V1162 V1173 F1175	I1049-I1155 WeakPolarHBondContact CD1-O 3.14Å; F1099-I1155 HydrophobicContact CD1-CD1 4.12Å; F1099-I1155 HydrophobicContact CD2-CD1 3.49Å; F1099-I1155 VanDerWaalsContact CD2-CD1 3.49Å; F1099-I1155 HydrophobicContact CE1-CD1 4.13Å; F1099-I1155 HydrophobicContact CE2-CD1 3.51Å; F1099-I1155 HydrophobicContact CG-CD1 3.81Å; F1099-I1155 HydrophobicContact CZ-CD1 3.84Å; C1150-I1155 HydrophobicContact CB-CB 4.17Å; C1150-I1155 PolarHBondContact O-N 3.02Å; L1153-I1155 VanDerWaalsContact C-N 3.3Å; L1153-I1155 HydrophobicContact CB-CD1 3.93Å; L1153-I1155 HydrophobicContact CB-CG1 3.91Å; L1153-I1155 HydrophobicContact CD1-CD1 4.06Å; L1153-I1155 PolarHBondContact O-N 3.44Å; I1155-Q1157 WeakPolarHBondContact CG2-O 3.45Å; I1155-V1158 HydrophobicContact CG2-CG1 4.14Å; I1155-A1160 HydrophobicContact CD1-CB 4.39Å; I1155-A1160 HydrophobicContact CG2-CB 3.98Å; I1155-V1162 HydrophobicContact CD1-CG2 4.07Å; I1155-V1173 HydrophobicContact CG1-CG1 3.98Å; I1155-F1175 HydrophobicContact CB-CE1 4.44Å; I1155-F1175 HydrophobicContact CG2-CE1 4.06Å
1156	D	94.5	Very high	92.7	Very high	84 Å²	84	53 Å²	53	45%	0.449	29%	0.286	S	S	.	.			trans	-119	-3.3	177.4	59.6	-12.2	0	0	0	112.1	I1049 G1050 G1154	I1049-D1156 CarbonylContact C-O 3.6Å; I1049-D1156 WeakPolarHBondContact CA-O 3.49Å; G1050-D1156 PolarHBondContact N-O 2.98Å; G1154-D1156 PolarHBondContact O-N 3.39Å
1157	Q	95.9	Very high	92.1	Very high	73 Å²	73	50.6 Å²	50.6	34%	0.341	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	145.8	178.1	-59.7	-178.4	0.5	0	0	111.2	G1050 I1155 F1175	G1050-Q1157 CarbonylContact O-C 3.57Å; G1050-Q1157 VanDerWaalsContact O-CA 3.26Å; G1050-Q1157 WeakPolarHBondContact O-CA 3.2Å; I1155-Q1157 WeakPolarHBondContact CG2-O 3.45Å; Q1157-F1175 HydrophobicContact CB-CD1 3.95Å; Q1157-F1175 HydrophobicContact CB-CE1 4.3Å; Q1157-F1175 VanDerWaalsContact O-CD1 3.28Å; Q1157-F1175 WeakPolarHBondContact O-CD1 3.4Å; Q1157-F1175 WeakPolarHBondContact O-CE1 3.24Å
1158	V	97	Very high	91.7	Very high	3 Å²	3	54.1 Å²	54.1	2%	0.018	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	147.7	173.7	-66.1	0	0	0	0	111.8	I1049 G1050 R1051 T1052 F1099 N1101 Q1107 V1126 I1155	I1049-V1158 HydrophobicContact CG2-CB 4.35Å; I1049-V1158 HydrophobicContact CG2-CG1 3.81Å; I1049-V1158 HydrophobicContact CG2-CG2 3.85Å; G1050-V1158 PolarHBondContact O-N 3.05Å; R1051-V1158 CarbonylContact C-O 3.52Å; R1051-V1158 WeakPolarHBondContact CA-O 3.43Å; T1052-V1158 PolarHBondContact N-O 3.45Å; T1052-V1158 PolarHBondContact OG1-N 2.82Å; T1052-V1158 PolarHBondContact OG1-O 3.1Å; F1099-V1158 HydrophobicContact CB-CG1 3.75Å; N1101-V1158 HydrophobicContact CB-CG2 4.19Å; Q1107-V1158 PolarHBondContact NE2-O 3.14Å; V1126-V1158 HydrophobicContact CG1-CG1 4.17Å; V1126-V1158 HydrophobicContact CG2-CG1 4.28Å; V1126-V1158 HydrophobicContact CG2-CG2 3.82Å; I1155-V1158 HydrophobicContact CG2-CG1 4.14Å
1159	P	97.4	Very high	91.5	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	31%	0.312	C	S	.	.	S	Bend	cis	-68.5	139.8	9.4	-20.4	32.8	0	0	0	114.4	T1052 F1099 I1100 Q1107 W1110 I1176 A1178	T1052-P1159 PolarHBondContact OG1-O 2.96Å; F1099-P1159 VanDerWaalsContact O-CA 3.32Å; F1099-P1159 WeakPolarHBondContact O-CA 3.49Å; I1100-P1159 HydrophobicContact CG2-CB 4.3Å; Q1107-P1159 HydrophobicContact CB-CG 4.03Å; Q1107-P1159 HydrophobicContact CG-CG 3.61Å; W1110-P1159 HydrophobicContact CD2-CB 3.94Å; W1110-P1159 HydrophobicContact CD2-CG 3.99Å; W1110-P1159 HydrophobicContact CE3-CB 3.59Å; W1110-P1159 HydrophobicContact CE3-CG 3.86Å; W1110-P1159 HydrophobicContact CG-CG 4.43Å; W1110-P1159 HydrophobicContact CH2-CB 3.71Å; W1110-P1159 HydrophobicContact CZ2-CB 4.05Å; W1110-P1159 HydrophobicContact CZ3-CB 3.48Å; W1110-P1159 VanDerWaalsContact CZ3-CB 3.48Å; W1110-P1159 HydrophobicContact CZ3-CG 4.27Å; P1159-I1176 WeakPolarHBondContact CD-O 3.39Å; P1159-I1176 PolarHBondContact O-N 2.68Å; P1159-A1178 HydrophobicContact CG-CB 4.03Å
1160	A	96.6	Very high	91.4	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	142.7	170.7	0	0	0	0	0	111	Y1098 F1099 I1155 E1174 F1175	Y1098-A1160 WeakPolarHBondContact CA-O 3.01Å; F1099-A1160 HydrophobicContact CB-CB 4.27Å; F1099-A1160 PolarHBondContact N-O 3.49Å; F1099-A1160 PolarHBondContact O-N 3.44Å; I1155-A1160 HydrophobicContact CD1-CB 4.39Å; I1155-A1160 HydrophobicContact CG2-CB 3.98Å; A1160-E1174 CarbonylContact C-O 3.58Å; A1160-E1174 WeakPolarHBondContact CA-O 3.18Å; A1160-F1175 HydrophobicContact CB-CD1 3.99Å; A1160-F1175 HydrophobicContact CB-CE1 4.24Å
1161	R	96	Very high	91.3	Very high	56 Å²	56	56.5 Å²	56.5	21%	0.211	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	131.2	176.1	-177.9	174.9	68.7	-168.9	3.4	109	T1096 L1097 Y1098 E1174 I1176	T1096-R1161 HydrophobicContact CG2-CG 3.67Å; L1097-R1161 CarbonylContact O-C 3.56Å; L1097-R1161 WeakPolarHBondContact O-CA 3.4Å; Y1098-R1161 HydrophobicContact CD1-CB 4.38Å; Y1098-R1161 HydrophobicContact CD1-CG 4.24Å; Y1098-R1161 HydrophobicContact CE1-CB 4.4Å; Y1098-R1161 HydrophobicContact CE1-CG 3.92Å; R1161-E1174 IonicContact CZ-OE2 2.55Å; R1161-E1174 VanDerWaalsContact CZ-OE2 3.25Å; R1161-E1174 PolarHBondContact N-O 2.73Å; R1161-E1174 IonicContact NE-OE2 2.85Å; R1161-E1174 PolarHBondContact NE-OE2 3.49Å; R1161-E1174 IonicContact NH2-OE1 2.8Å; R1161-E1174 IonicContact NH2-OE2 3.37Å; R1161-E1174 PolarHBondContact NH2-OE2 3.48Å; R1161-E1174 PolarHBondContact O-N 2.98Å; R1161-I1176 HydrophobicContact CB-CD1 4.03Å
1162	V	95.9	Very high	91.3	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	121.6	175.8	-172.6	0	0	0	0	109.5	L1097 F1099 L1153 I1155 L1171 K1172 V1173	L1097-V1162 HydrophobicContact CB-CB 4.19Å; L1097-V1162 PolarHBondContact N-O 3.18Å; L1097-V1162 PolarHBondContact O-N 3.48Å; F1099-V1162 HydrophobicContact CD2-CG2 4.25Å; F1099-V1162 HydrophobicContact CE2-CG2 3.88Å; L1153-V1162 HydrophobicContact CD1-CG2 4.28Å; I1155-V1162 HydrophobicContact CD1-CG2 4.07Å; V1162-L1171 HydrophobicContact CG1-CB 4.06Å; V1162-L1171 HydrophobicContact CG1-CD1 4.12Å; V1162-K1172 WeakPolarHBondContact CA-O 3.43Å; V1162-V1173 HydrophobicContact CG1-CG2 4.25Å; V1162-V1173 HydrophobicContact CG2-CB 4.45Å; V1162-V1173 HydrophobicContact CG2-CG1 4.18Å; V1162-V1173 HydrophobicContact CG2-CG2 4.05Å
1163	S	92.9	Very high	91.6	Very high	20 Å²	20	44 Å²	44	14%	0.14	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	158	179.8	60.8	0	0	0	0	110.5	L1171 K1172	S1163-L1171 CarbonylContact O-C 3.55Å; S1163-L1171 WeakPolarHBondContact O-CA 3.48Å; S1163-K1172 PolarHBondContact N-O 3.4Å; S1163-K1172 VanDerWaalsContact N-O 3.1Å; S1163-K1172 PolarHBondContact O-N 3.14Å
1164	A	89.4	Confident	91.7	Very high	36 Å²	36	43.8 Å²	43.8	30%	0.298	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	145	168.7	0	0	0	0	0	110.7	F1093 L1171	F1093-A1164 HydrophobicContact CB-CB 4.23Å; F1093-A1164 HydrophobicContact CD1-CB 4.37Å; A1164-L1171 HydrophobicContact CB-CD2 4.4Å
1165	V	86.6	Confident	91.9	Very high	34 Å²	34	43.1 Å²	43.1	21%	0.206	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-81.1	122	164.7	177.2	0	0	0	0	108.1	L1059 G1167 D1168 F1170 K1172	L1059-V1165 HydrophobicContact CD2-CG2 3.66Å; V1165-G1167 PolarHBondContact O-N 2.95Å; V1165-D1168 HydrophobicContact CB-CB 3.88Å; V1165-D1168 HydrophobicContact CG1-CB 3.61Å; V1165-D1168 PolarHBondContact O-N 3.26Å; V1165-D1168 VanDerWaalsContact O-N 3.13Å; V1165-F1170 PolarHBondContact N-O 3.18Å; V1165-F1170 VanDerWaalsContact N-O 3.1Å; V1165-K1172 HydrophobicContact CG2-CB 3.83Å
1166	P	79.6	Confident	91.8	Very high	127 Å²	127	43.7 Å²	43.7	83%	0.825	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.1	124.6	-179.9	-25.5	34.5	0	0	0	111.9	D1168	P1166-D1168 VanDerWaalsContact C-N 3.27Å; P1166-D1168 PolarHBondContact O-N 2.95Å
1167	G	76.4	Confident	91.7	Very high	97 Å²	97	40.5 Å²	40.5	100%	1	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.1	6.4	178.1	0	0	0	0	0	115.5	V1165	V1165-G1167 PolarHBondContact O-N 2.95Å
1168	D	81	Confident	91.3	Very high	79 Å²	79	37.1 Å²	37.1	42%	0.422	22%	0.216	S	C	.	.	S	Bend	trans	-123.8	166.7	-178.8	-153.2	-13.3	0	0	0	111.7	V1165 P1166 F1170	V1165-D1168 HydrophobicContact CB-CB 3.88Å; V1165-D1168 HydrophobicContact CG1-CB 3.61Å; V1165-D1168 PolarHBondContact O-N 3.26Å; V1165-D1168 VanDerWaalsContact O-N 3.13Å; P1166-D1168 VanDerWaalsContact C-N 3.27Å; P1166-D1168 PolarHBondContact O-N 2.95Å; D1168-F1170 VanDerWaalsContact C-N 3.35Å; D1168-F1170 WeakPolarHBondContact OD1-CD2 3.49Å
1169	R	86.9	Confident	90.5	Very high	134 Å²	134	42.7 Å²	42.7	51%	0.506	24%	0.242	S	C	.	.	S	Bend	trans	-98.3	19.5	-177.6	-63	177.3	-179.6	176.2	-5.3	112.8	P1062 N1086 Q1089	P1062-R1169 VanDerWaalsContact CD-O 3.31Å; P1062-R1169 WeakPolarHBondContact CD-O 3.45Å; N1086-R1169 PolarHBondContact ND2-O 3.28Å; Q1089-R1169 HydrophobicContact CG-CG 4.29Å
1170	F	92	Very high	88.7	Confident	65 Å²	65	47.9 Å²	47.9	29%	0.285	27%	0.266	S	S	.	.			trans	-113.6	150.2	178.9	-65.3	-93.2	0	0	0	111.2	L1059 F1060 D1061 V1165 D1168	L1059-F1170 HydrophobicContact CB-CB 4.08Å; L1059-F1170 HydrophobicContact CB-CD1 3.86Å; L1059-F1170 HydrophobicContact CB-CG 4.11Å; L1059-F1170 HydrophobicContact CD1-CG 4.4Å; L1059-F1170 HydrophobicContact CD2-CB 4.19Å; F1060-F1170 WeakPolarHBondContact O-CA 3.44Å; D1061-F1170 HydrophobicContact CB-CD1 3.92Å; D1061-F1170 HydrophobicContact CB-CE1 3.67Å; V1165-F1170 PolarHBondContact N-O 3.18Å; V1165-F1170 VanDerWaalsContact N-O 3.1Å; D1168-F1170 VanDerWaalsContact C-N 3.35Å; D1168-F1170 WeakPolarHBondContact OD1-CD2 3.49Å
1171	L	94	Very high	86.7	Confident	11 Å²	11	50.6 Å²	50.6	6%	0.058	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	137.1	160.7	-60.6	-179.9	0	0	0	108.5	L1059 F1060 L1088 F1093 L1153 V1162 S1163 A1164	L1059-L1171 CarbonylContact C-O 3.52Å; L1059-L1171 WeakPolarHBondContact CA-O 3.47Å; F1060-L1171 HydrophobicContact CB-CB 4.36Å; F1060-L1171 HydrophobicContact CD1-CB 4.31Å; F1060-L1171 HydrophobicContact CD1-CD1 4.13Å; F1060-L1171 HydrophobicContact CD1-CG 4.48Å; F1060-L1171 PolarHBondContact N-O 3.1Å; F1060-L1171 PolarHBondContact O-N 3.48Å; L1088-L1171 HydrophobicContact CD1-CD2 3.86Å; L1088-L1171 HydrophobicContact CD1-CG 4.18Å; L1088-L1171 HydrophobicContact CD2-CD2 4.17Å; F1093-L1171 HydrophobicContact CB-CD2 4.09Å; F1093-L1171 HydrophobicContact CD1-CD2 3.68Å; F1093-L1171 HydrophobicContact CD2-CD2 4.31Å; F1093-L1171 HydrophobicContact CE1-CD2 4.1Å; F1093-L1171 HydrophobicContact CG-CD2 3.78Å; L1153-L1171 HydrophobicContact CD2-CD1 4.39Å; V1162-L1171 HydrophobicContact CG1-CB 4.06Å; V1162-L1171 HydrophobicContact CG1-CD1 4.12Å; S1163-L1171 CarbonylContact O-C 3.55Å; S1163-L1171 WeakPolarHBondContact O-CA 3.48Å; A1164-L1171 HydrophobicContact CB-CD2 4.4Å
1172	K	94	Very high	84.2	Confident	57 Å²	57	58.5 Å²	58.5	25%	0.248	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	119.1	168.7	-161.5	-174.8	-176.4	-165.4	0	108.1	Y1055 L1059 V1162 S1163 V1165 E1174	Y1055-K1172 PolarHBondContact OH-NZ 3.29Å; L1059-K1172 HydrophobicContact CD2-CG 4.48Å; V1162-K1172 WeakPolarHBondContact CA-O 3.43Å; S1163-K1172 PolarHBondContact N-O 3.4Å; S1163-K1172 VanDerWaalsContact N-O 3.1Å; S1163-K1172 PolarHBondContact O-N 3.14Å; V1165-K1172 HydrophobicContact CG2-CB 3.83Å; K1172-E1174 HydrophobicContact CD-CG 3.71Å; K1172-E1174 WeakPolarHBondContact CE-OE1 3.44Å; K1172-E1174 HydrophobicContact CG-CG 3.83Å; K1172-E1174 IonicContact NZ-OE1 2.7Å; K1172-E1174 PolarHBondContact NZ-OE1 3.28Å
1173	V	96.5	Very high	81.2	Confident	0 Å²	0	71.1 Å²	71.1	0%	0	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	112.9	168.8	-177.1	0	0	0	0	107	S1057 R1058 F1060 I1155 V1162 F1175	S1057-V1173 CarbonylContact C-O 3.54Å; S1057-V1173 VanDerWaalsContact CA-O 3.31Å; S1057-V1173 WeakPolarHBondContact CA-O 3.45Å; R1058-V1173 HydrophobicContact CG-CB 4.11Å; R1058-V1173 PolarHBondContact N-O 3.41Å; R1058-V1173 PolarHBondContact O-N 3.25Å; F1060-V1173 HydrophobicContact CB-CG2 4Å; I1155-V1173 HydrophobicContact CG1-CG1 3.98Å; V1162-V1173 HydrophobicContact CG1-CG2 4.25Å; V1162-V1173 HydrophobicContact CG2-CB 4.45Å; V1162-V1173 HydrophobicContact CG2-CG1 4.18Å; V1162-V1173 HydrophobicContact CG2-CG2 4.05Å; V1173-F1175 HydrophobicContact CG1-CE1 4.49Å; V1173-F1175 HydrophobicContact CG1-CE2 4.07Å; V1173-F1175 HydrophobicContact CG1-CZ 3.95Å
1174	E	95.8	Very high	80.6	Confident	9 Å²	9	73.7 Å²	73.7	4%	0.042	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	129.7	178.8	-62	-178.4	106.2	0	0	109.8	Y1055 G1056 A1160 R1161 K1172 I1176	Y1055-E1174 HydrophobicContact CE2-CB 4.47Å; Y1055-E1174 PolarHBondContact OH-OE1 3.29Å; G1056-E1174 CarbonylContact O-C 3.4Å; G1056-E1174 WeakPolarHBondContact O-CA 3.47Å; A1160-E1174 CarbonylContact C-O 3.58Å; A1160-E1174 WeakPolarHBondContact CA-O 3.18Å; R1161-E1174 IonicContact CZ-OE2 2.55Å; R1161-E1174 VanDerWaalsContact CZ-OE2 3.25Å; R1161-E1174 PolarHBondContact N-O 2.73Å; R1161-E1174 IonicContact NE-OE2 2.85Å; R1161-E1174 PolarHBondContact NE-OE2 3.49Å; R1161-E1174 IonicContact NH2-OE1 2.8Å; R1161-E1174 IonicContact NH2-OE2 3.37Å; R1161-E1174 PolarHBondContact NH2-OE2 3.48Å; R1161-E1174 PolarHBondContact O-N 2.98Å; K1172-E1174 HydrophobicContact CD-CG 3.71Å; K1172-E1174 WeakPolarHBondContact CE-OE1 3.44Å; K1172-E1174 HydrophobicContact CG-CG 3.83Å; K1172-E1174 IonicContact NZ-OE1 2.7Å; K1172-E1174 PolarHBondContact NZ-OE1 3.28Å; E1174-I1176 HydrophobicContact CB-CD1 4.17Å; E1174-I1176 HydrophobicContact CB-CG1 4.11Å
1175	F	96.4	Very high	80.1	Confident	16 Å²	16	75.6 Å²	75.6	7%	0.07	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	117.7	169.9	-57.8	-82.9	0	0	0	106.7	T1052 Y1055 G1056 I1155 Q1157 A1160 V1173	T1052-F1175 HydrophobicContact CG2-CB 3.64Å; Y1055-F1175 WeakPolarHBondContact CA-O 3.22Å; G1056-F1175 PolarHBondContact N-O 3.48Å; G1056-F1175 PolarHBondContact O-N 3.47Å; I1155-F1175 HydrophobicContact CB-CE1 4.44Å; I1155-F1175 HydrophobicContact CG2-CE1 4.06Å; Q1157-F1175 HydrophobicContact CB-CD1 3.95Å; Q1157-F1175 HydrophobicContact CB-CE1 4.3Å; Q1157-F1175 VanDerWaalsContact O-CD1 3.28Å; Q1157-F1175 WeakPolarHBondContact O-CD1 3.4Å; Q1157-F1175 WeakPolarHBondContact O-CE1 3.24Å; A1160-F1175 HydrophobicContact CB-CD1 3.99Å; A1160-F1175 HydrophobicContact CB-CE1 4.24Å; V1173-F1175 HydrophobicContact CG1-CE1 4.49Å; V1173-F1175 HydrophobicContact CG1-CE2 4.07Å; V1173-F1175 HydrophobicContact CG1-CZ 3.95Å
1176	I	93.6	Very high	79.8	Confident	17 Å²	17	77.9 Å²	77.9	9%	0.087	41%	0.406	C	S	.	.			trans	-120.7	119	-172.4	-56.7	165.2	0	0	0	108.8	Y1055 W1110 P1159 R1161 E1174 A1178	Y1055-I1176 HydrophobicContact CD2-CG1 4.17Å; Y1055-I1176 HydrophobicContact CE2-CG1 4.15Å; W1110-I1176 HydrophobicContact CZ2-CB 3.83Å; W1110-I1176 HydrophobicContact CZ2-CD1 3.81Å; W1110-I1176 HydrophobicContact CZ2-CG1 4.4Å; W1110-I1176 HydrophobicContact CZ2-CG2 3.98Å; P1159-I1176 WeakPolarHBondContact CD-O 3.39Å; P1159-I1176 PolarHBondContact O-N 2.68Å; R1161-I1176 HydrophobicContact CB-CD1 4.03Å; E1174-I1176 HydrophobicContact CB-CD1 4.17Å; E1174-I1176 HydrophobicContact CB-CG1 4.11Å; I1176-A1178 PolarHBondContact O-N 3Å
1177	P	92.2	Very high	79.8	Confident	16 Å²	16	75.1 Å²	75.1	10%	0.104	38%	0.382	C	S	.	.			trans	-57.7	132.1	175	-22.8	32.8	0	0	0	110.8	T1052 E1179 E1180	T1052-P1177 HydrophobicContact CG2-CG 4.29Å; P1177-E1179 PolarHBondContact O-N 3.28Å; P1177-E1180 PolarHBondContact O-N 3.42Å; P1177-E1180 VanDerWaalsContact O-N 3.11Å
1178	A	87.5	Confident	80	Confident	2 Å²	2	73.7 Å²	73.7	2%	0.017	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-18.4	-178	0	0	0	0	0	114	A1106 Q1107 W1110 R1113 P1159 I1176	A1106-A1178 HydrophobicContact CB-CB 4.12Å; Q1107-A1178 HydrophobicContact CG-CB 4.03Å; W1110-A1178 HydrophobicContact CB-CB 4.1Å; W1110-A1178 HydrophobicContact CG-CB 4.47Å; R1113-A1178 PolarHBondContact NH2-O 3.14Å; P1159-A1178 HydrophobicContact CG-CB 4.03Å; I1176-A1178 PolarHBondContact O-N 3Å
1179	E	80.1	Confident	79.9	Confident	120 Å²	120	73.3 Å²	73.3	56%	0.561	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94	-10.3	-178.2	-64.5	179.5	-162.5	0	0	113.8	R1051 P1177 G1181 R1182	R1051-E1179 IonicContact CZ-OE1 3.76Å; R1051-E1179 IonicContact NH2-OE1 3.31Å; R1051-E1179 PolarHBondContact NH2-OE1 3.21Å; P1177-E1179 PolarHBondContact O-N 3.28Å; E1179-G1181 PolarHBondContact O-N 3.16Å; E1179-R1182 PolarHBondContact O-N 2.99Å
1180	E	60.2	Low	79.4	Confident	109 Å²	109	69 Å²	69	51%	0.509	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	124.7	172.1	-118.1	177.7	175.2	0	0	109.5	P1177	P1177-E1180 PolarHBondContact O-N 3.42Å; P1177-E1180 VanDerWaalsContact O-N 3.11Å
1181	G	53.7	Low	78.5	Confident	57 Å²	57	69.3 Å²	69.3	59%	0.588	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	109.3	6.6	-171	0	0	0	0	0	115.7	E1179	E1179-G1181 PolarHBondContact O-N 3.16Å
1182	R	42.5	Very low	77.2	Confident	222 Å²	222	74.2 Å²	74.2	84%	0.838	35%	0.351	S	S	*	.			trans	-89.5	-5	165.1	-98.7	-173	178.1	174.6	0.4	114.5	E1179	E1179-R1182 PolarHBondContact O-N 2.99Å
1183	K	33.5	Very low	75.6	Confident	265 Å²	265	75.7 Å²	75.7	100%	1.152	36%	0.361	S	S	*	.			trans	-101.4	0	162.1	-74.5	-175	178.2	179.8	0	107.8

Retrieved 1,183 of 1,183 residues in 1972.9 ms (Link to these results)

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