G4VRK9_SCHMA Loading...

PH domain-containing protein

AlphaFold DB , UniProt , Accession G4VRK9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 854 aa.

						>G4VRK9_SCHMA|G4VRK9
MSAYDPFSVHNGGTHTFNGTETISRMVVDGNYIDGSWELSVRVEDINTNVSVRVSGDLPLGGLMHLIVEKVKLQQSWSDHAIWWVDRNVWLLQSRTTLDQYGIQSDARLVFHRMHNDVQIVLPSLTPLVLRVNYAARLFTVVRDICKELNIRHSEELSLTLPITKNMLKTNCPLPTVRPGLRRPGTSLPNPRNDQSSVKSKVPSSASSAYPTVDGQKINPYNTLNSNAGTIMRFKSDNSLDQERVDFARYADCSLRRSAKAVFADSWLMKPKNLVQKARLNSGWLDSSRSLLEQGIKPSSLELDGHNPPNPPTLYLCFKYFTFYDVILKYDAVRIHQLYEQARWSLLSGQFDCTEDEMVVFAAYQLQAELQSAAVSQQLCITNFPDMNNTNPYSTLGACTTVSSNYVNRSPVHATSSPDLAKKHYPHYNSGGSVSQLPRNLSPIGSALVDEIPSNVHNVGGVDEVDELLSELEQSCGVADESEPVSRNLQNAIRPTGHDMTDTSEVPSLEGSIKVFRDRSRLLKRYKAYWAVIVEARLYLFKNKAQTKECLAEYPLRDCTVSFDVSVAHQKYIIKLSVPSVLDQKTSNGSPLIFSANSSTPKELCSTREEIWLKFDSAEQYACWLAACRLGSRGKTLASKVAYGKEVEATLELLKLQMPGPSPAMSLSESTAYLGDLTDFCNDRIIRKARSKDTLRQRITEAHVNIRDLGLLEAKYKYVQTWQRLTGFGRSYFIVQFERGLQGLPNTNGGGLFSTPMDDIIAICQGRIEVVSPQTGEILLTWNFSDLRSWNVNWDAEKVILEFRNSQVAFRPLSTNCKTIVEFIGGYIFLSQRNLEKSQEVNERLFHRLTGAND
					

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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	33.1	Very low	38.2	Very low	252 Å²	252	146.7 Å²	146.7	100%	1.241	80%	0.796	S	S	*	*				0	91.2	0	-76.9	172.1	167.5	0	0	108.3
2	S	38.2	Very low	37.7	Very low	112 Å²	112	142.4 Å²	142.4	78%	0.783	81%	0.811	S	S	*	*			trans	-114.9	108.3	160.2	172.5	0	0	0	0	103.9	Y4	S2-Y4 PolarHBondContact O-N 2.94Å; S2-Y4 VanDerWaalsContact O-N 3.13Å
3	A	39.9	Very low	37.6	Very low	99 Å²	99	135.1 Å²	135.1	82%	0.818	79%	0.786	S	S	*	*			trans	-67.9	106.9	175.6	0	0	0	0	0	106.8	D5	A3-D5 PolarHBondContact O-N 3.16Å
4	Y	38.9	Very low	37.7	Very low	219 Å²	219	136 Å²	136	86%	0.859	80%	0.795	S	S	*	*			trans	-71.7	111.3	171.7	-143.6	-92.8	0	0	0	106.7	S2 P6	S2-Y4 PolarHBondContact O-N 2.94Å; S2-Y4 VanDerWaalsContact O-N 3.13Å; Y4-P6 VanDerWaalsContact O-CD 3.32Å; Y4-P6 WeakPolarHBondContact O-CD 3.48Å
5	D	41.6	Very low	38.2	Very low	113 Å²	113	137.3 Å²	137.3	60%	0.604	79%	0.79	S	S	*	*			trans	-78.2	112.3	-178.3	-168.1	-6.2	0	0	0	109.5	A3 F7	A3-D5 PolarHBondContact O-N 3.16Å; D5-F7 PolarHBondContact O-N 3.03Å; D5-F7 PolarHBondContact OD1-N 2.75Å
6	P	46	Very low	38.6	Very low	101 Å²	101	136.4 Å²	136.4	66%	0.656	79%	0.788	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.3	6.4	-175.4	31.4	-32.4	0	0	0	113.8	Y4	Y4-P6 VanDerWaalsContact O-CD 3.32Å; Y4-P6 WeakPolarHBondContact O-CD 3.48Å
7	F	37.4	Very low	38.9	Very low	178 Å²	178	139.1 Å²	139.1	78%	0.781	79%	0.788	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.3	16.6	-174.8	-66.3	-72.9	0	0	0	115.9	D5 V9	D5-F7 PolarHBondContact O-N 3.03Å; D5-F7 PolarHBondContact OD1-N 2.75Å; F7-V9 PolarHBondContact O-N 3.4Å
8	S	34.6	Very low	39.7	Very low	103 Å²	103	136.3 Å²	136.3	72%	0.72	77%	0.771	S	S	*	*			trans	-89.5	84.8	171	-161.9	0	0	0	0	111.1
9	V	39.1	Very low	40.6	Very low	116 Å²	116	131.6 Å²	131.6	70%	0.703	76%	0.756	S	S	*	*			trans	-125.3	91.9	164.3	-173.9	0	0	0	0	108.9	F7	F7-V9 PolarHBondContact O-N 3.4Å
10	H	35.2	Very low	41.4	Very low	174 Å²	174	129.7 Å²	129.7	81%	0.806	75%	0.746	S	S	*	*			trans	-70	141.9	149.3	-90.9	-64	0	0	0	108.9
11	N	36	Very low	42.1	Very low	147 Å²	147	128.8 Å²	128.8	79%	0.786	74%	0.736	S	S	*	*	S	Bend	trans	76.5	85.9	173.3	-68	-11.8	0	0	0	117.6	G13	N11-G13 VanDerWaalsContact C-N 3.26Å; N11-G13 PolarHBondContact O-N 3.27Å
12	G	33	Very low	43.5	Very low	95 Å²	95	119.7 Å²	119.7	98%	0.979	70%	0.695	S	S	*	*				66.7	5.4	101.2	0	0	0	0	0	119.9
13	G	35.4	Very low	44.6	Very low	47 Å²	47	118.7 Å²	118.7	49%	0.485	68%	0.679	S	S	.	*			trans	-100.9	123.6	167.2	0	0	0	0	0	110.2	N11 H15	N11-G13 VanDerWaalsContact C-N 3.26Å; N11-G13 PolarHBondContact O-N 3.27Å; G13-H15 PolarHBondContact O-N 3.46Å
14	T	39.7	Very low	45.5	Very low	148 Å²	148	115.9 Å²	115.9	91%	0.908	65%	0.654	S	S	*	*			trans	-59.5	80.4	165.9	37.8	0	0	0	0	109.9	T16	T14-T16 PolarHBondContact O-N 3.36Å
15	H	44.6	Very low	46.9	Very low	155 Å²	155	114.4 Å²	114.4	72%	0.718	65%	0.647	S	S	*	*			trans	-73.8	105.8	161.6	-79.7	-79.5	0	0	0	106.4	G13 F17	G13-H15 PolarHBondContact O-N 3.46Å; H15-F17 PolarHBondContact O-N 2.96Å
16	T	44.7	Very low	48.4	Very low	123 Å²	123	113.5 Å²	113.5	76%	0.755	64%	0.64	S	S	*	*			trans	-51.8	105	161.6	44.4	0	0	0	0	107.7	T14 N18	T14-T16 PolarHBondContact O-N 3.36Å; T16-N18 PolarHBondContact O-N 2.73Å
17	F	44.2	Very low	49.5	Very low	183 Å²	183	112.3 Å²	112.3	80%	0.803	63%	0.631	S	S	*	*			trans	-66.2	94.4	175.4	-112.2	-94	0	0	0	108	H15 G19	H15-F17 PolarHBondContact O-N 2.96Å; F17-G19 PolarHBondContact O-N 3.39Å
18	N	52.4	Low	51.2	Low	89 Å²	89	107.6 Å²	107.6	48%	0.476	62%	0.616	S	S	.	*			trans	-75.6	107.9	169.8	-98.6	-12.1	0	0	0	107.7	T16 T20 E21	T16-N18 PolarHBondContact O-N 2.73Å; N18-T20 PolarHBondContact O-N 3.14Å; N18-E21 HydrophobicContact CB-CG 4.2Å; N18-E21 PolarHBondContact O-N 3.05Å
19	G	56.8	Low	53.1	Low	47 Å²	47	110.3 Å²	110.3	49%	0.485	62%	0.623	S	S	.	*	H	α-helix	trans	-54.2	-22.5	176.1	0	0	0	0	0	113.5	F17 T22 I23	F17-G19 PolarHBondContact O-N 3.39Å; G19-T22 PolarHBondContact O-N 3.2Å; G19-I23 WeakPolarHBondContact O-CG1 3.26Å; G19-I23 PolarHBondContact O-N 2.71Å; G19-I23 VanDerWaalsContact O-N 3.11Å
20	T	56.9	Low	54.5	Low	92 Å²	92	107.8 Å²	107.8	56%	0.564	62%	0.62	S	S	*	*	H	α-helix	trans	-64	-40.5	172.5	51	0	0	0	0	113.2	N18 T22 I23 S24	N18-T20 PolarHBondContact O-N 3.14Å; T20-T22 VanDerWaalsContact C-N 3.33Å; T20-T22 PolarHBondContact O-N 3.45Å; T20-I23 PolarHBondContact O-N 2.99Å; T20-S24 PolarHBondContact O-N 3.03Å; T20-S24 PolarHBondContact O-OG 3.18Å
21	E	56.6	Low	56.3	Low	111 Å²	111	105.2 Å²	105.2	52%	0.519	61%	0.612	S	S	.	*	H	α-helix	trans	-67.1	-36.6	177.9	-70.5	-171.7	178.9	0	0	111.8	N18 R25	N18-E21 HydrophobicContact CB-CG 4.2Å; N18-E21 PolarHBondContact O-N 3.05Å; E21-R25 WeakPolarHBondContact O-CG 3.32Å; E21-R25 PolarHBondContact O-N 3.2Å; E21-R25 VanDerWaalsContact O-N 3.12Å
22	T	62.8	Low	58.3	Low	62 Å²	62	100.9 Å²	100.9	38%	0.38	59%	0.585	S	S	.	*	H	α-helix	trans	-66.7	-45.1	176.8	-48.6	0	0	0	0	111	G19 T20 S24 R25 M26	G19-T22 PolarHBondContact O-N 3.2Å; T20-T22 VanDerWaalsContact C-N 3.33Å; T20-T22 PolarHBondContact O-N 3.45Å; T22-S24 VanDerWaalsContact C-N 3.34Å; T22-S24 PolarHBondContact O-N 2.71Å; T22-R25 PolarHBondContact O-N 3.11Å; T22-R25 VanDerWaalsContact O-N 3.09Å; T22-M26 HydrophobicContact CG2-CE 4.2Å; T22-M26 PolarHBondContact O-N 2.84Å
23	I	60.6	Low	60.5	Low	90 Å²	90	100.4 Å²	100.4	46%	0.462	56%	0.559	S	S	.	*	H	α-helix	trans	-62.1	-42.9	176.7	-68	166.3	0	0	0	110.7	G19 T20 R25 M26 I33	G19-I23 WeakPolarHBondContact O-CG1 3.26Å; G19-I23 PolarHBondContact O-N 2.71Å; G19-I23 VanDerWaalsContact O-N 3.11Å; T20-I23 PolarHBondContact O-N 2.99Å; I23-R25 VanDerWaalsContact C-N 3.25Å; I23-R25 PolarHBondContact O-N 2.9Å; I23-M26 WeakPolarHBondContact O-CB 3.27Å; I23-M26 PolarHBondContact O-N 3.12Å; I23-M26 VanDerWaalsContact O-N 3.1Å; I23-I33 HydrophobicContact CG2-CG2 4.31Å
24	S	59.5	Low	62.8	Low	40 Å²	40	101.5 Å²	101.5	28%	0.28	55%	0.554	S	S	.	*	H	α-helix	trans	-57.1	-40.2	173.3	-75.8	0	0	0	0	110.9	T20 T22 M26 D34 R53	T20-S24 PolarHBondContact O-N 3.03Å; T20-S24 PolarHBondContact O-OG 3.18Å; T22-S24 VanDerWaalsContact C-N 3.34Å; T22-S24 PolarHBondContact O-N 2.71Å; S24-M26 VanDerWaalsContact C-N 3.26Å; S24-M26 PolarHBondContact O-N 3.25Å; S24-D34 WeakPolarHBondContact CA-OD2 3.2Å; S24-D34 WeakPolarHBondContact CB-OD2 3.39Å; S24-D34 PolarHBondContact OG-OD2 3.49Å; S24-R53 PolarHBondContact O-NH1 3Å; S24-R53 PolarHBondContact O-NH2 2.91Å
25	R	66.9	Low	65	Low	188 Å²	188	97.1 Å²	97.1	71%	0.709	54%	0.538	S	S	*	.	H	α-helix	trans	-75.1	-9.5	-179.9	-67.5	179.4	-170.6	179	7.3	115.1	E21 T22 I23	E21-R25 WeakPolarHBondContact O-CG 3.32Å; E21-R25 PolarHBondContact O-N 3.2Å; E21-R25 VanDerWaalsContact O-N 3.12Å; T22-R25 PolarHBondContact O-N 3.11Å; T22-R25 VanDerWaalsContact O-N 3.09Å; I23-R25 VanDerWaalsContact C-N 3.25Å; I23-R25 PolarHBondContact O-N 2.9Å
26	M	73.1	Confident	67.1	Low	94 Å²	94	90.3 Å²	90.3	46%	0.463	51%	0.508	S	S	.	.			trans	-74.4	130	179.3	-70.8	-177.9	-179.6	0	0	111.5	T22 I23 S24 I33	T22-M26 HydrophobicContact CG2-CE 4.2Å; T22-M26 PolarHBondContact O-N 2.84Å; I23-M26 WeakPolarHBondContact O-CB 3.27Å; I23-M26 PolarHBondContact O-N 3.12Å; I23-M26 VanDerWaalsContact O-N 3.1Å; S24-M26 VanDerWaalsContact C-N 3.26Å; S24-M26 PolarHBondContact O-N 3.25Å; M26-I33 HydrophobicContact CB-CD1 3.42Å; M26-I33 VanDerWaalsContact CB-CD1 3.42Å; M26-I33 HydrophobicContact CB-CG1 4.02Å; M26-I33 HydrophobicContact CG-CD1 4.35Å; M26-I33 PolarHBondContact O-N 2.81Å; M26-I33 HydrophobicContact SD-CD1 4.06Å
27	V	69.2	Low	69.4	Low	77 Å²	77	86.6 Å²	86.6	47%	0.467	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	123.2	173.9	179.5	0	0	0	0	107.6	G30 N31 Y32	V27-G30 VanDerWaalsContact CG1-C 3.5Å; V27-N31 CarbonylContact C-O 3.56Å; V27-N31 VanDerWaalsContact CA-O 3.32Å; V27-N31 WeakPolarHBondContact CA-O 3.34Å; V27-Y32 HydrophobicContact CG2-CD1 3.56Å; V27-Y32 HydrophobicContact CG2-CE1 3.52Å; V27-Y32 HydrophobicContact CG2-CG 4.3Å
28	V	74	Confident	71.7	Confident	78 Å²	78	82.9 Å²	82.9	47%	0.473	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	126.1	175.6	178.4	0	0	0	0	107.4	G30 N31 I33	V28-G30 PolarHBondContact O-N 3.11Å; V28-N31 PolarHBondContact N-O 3.46Å; V28-N31 PolarHBondContact O-N 3.17Å; V28-N31 VanDerWaalsContact O-O 3.1Å; V28-I33 HydrophobicContact CB-CG1 4.36Å; V28-I33 HydrophobicContact CG2-CD1 3.59Å; V28-I33 HydrophobicContact CG2-CG1 3.64Å
29	D	73.3	Confident	73.8	Confident	161 Å²	161	78.7 Å²	78.7	86%	0.861	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.1	32.4	-179.2	-58.7	-31.4	0	0	0	114.8	N31	D29-N31 VanDerWaalsContact C-N 3.35Å
30	G	69.3	Low	75.6	Confident	62 Å²	62	78.9 Å²	78.9	64%	0.639	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	86	-2.3	-179.4	0	0	0	0	0	115.4	V27 V28	V27-G30 VanDerWaalsContact CG1-C 3.5Å; V28-G30 PolarHBondContact O-N 3.11Å
31	N	73	Confident	77.5	Confident	121 Å²	121	74.5 Å²	74.5	65%	0.647	41%	0.41	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.7	143.4	177.6	-65.3	-30.1	0	0	0	111.3	V27 V28 D29	V27-N31 CarbonylContact C-O 3.56Å; V27-N31 VanDerWaalsContact CA-O 3.32Å; V27-N31 WeakPolarHBondContact CA-O 3.34Å; V28-N31 PolarHBondContact N-O 3.46Å; V28-N31 PolarHBondContact O-N 3.17Å; V28-N31 VanDerWaalsContact O-O 3.1Å; D29-N31 VanDerWaalsContact C-N 3.35Å
32	Y	79	Confident	79.3	Confident	55 Å²	55	75 Å²	75	22%	0.216	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	137.7	172.6	-65.7	-80.4	0	0	0	110.5	V27 D34 G35 S36 E38	V27-Y32 HydrophobicContact CG2-CD1 3.56Å; V27-Y32 HydrophobicContact CG2-CE1 3.52Å; V27-Y32 HydrophobicContact CG2-CG 4.3Å; Y32-D34 WeakPolarHBondContact CB-OD1 3.49Å; Y32-D34 PolarHBondContact O-N 3.27Å; Y32-G35 PolarHBondContact O-N 3.4Å; Y32-G35 VanDerWaalsContact O-N 3.16Å; Y32-S36 WeakPolarHBondContact CB-O 3.37Å; Y32-S36 VanDerWaalsContact CD2-O 3.32Å; Y32-S36 WeakPolarHBondContact CD2-O 3.47Å; Y32-E38 HydrophobicContact CE2-CG 4.29Å; Y32-E38 PolarHBondContact OH-OE1 3.09Å
33	I	78.5	Confident	80.8	Confident	86 Å²	86	72 Å²	72	44%	0.441	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-31.6	-177.1	-62.8	-177.4	0	0	0	112.2	I23 M26 V28 G35	I23-I33 HydrophobicContact CG2-CG2 4.31Å; M26-I33 HydrophobicContact CB-CD1 3.42Å; M26-I33 VanDerWaalsContact CB-CD1 3.42Å; M26-I33 HydrophobicContact CB-CG1 4.02Å; M26-I33 HydrophobicContact CG-CD1 4.35Å; M26-I33 PolarHBondContact O-N 2.81Å; M26-I33 HydrophobicContact SD-CD1 4.06Å; V28-I33 HydrophobicContact CB-CG1 4.36Å; V28-I33 HydrophobicContact CG2-CD1 3.59Å; V28-I33 HydrophobicContact CG2-CG1 3.64Å; I33-G35 PolarHBondContact O-N 3.2Å
34	D	83.5	Confident	82.2	Confident	69 Å²	69	69.4 Å²	69.4	37%	0.369	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	4.7	-179.8	64.6	2.7	0	0	0	113.9	S24 Y32 S36 R53	S24-D34 WeakPolarHBondContact CA-OD2 3.2Å; S24-D34 WeakPolarHBondContact CB-OD2 3.39Å; S24-D34 PolarHBondContact OG-OD2 3.49Å; Y32-D34 WeakPolarHBondContact CB-OD1 3.49Å; Y32-D34 PolarHBondContact O-N 3.27Å; D34-S36 PolarHBondContact O-N 2.86Å; D34-S36 VanDerWaalsContact OD1-CB 3.28Å; D34-S36 WeakPolarHBondContact OD1-CB 3.14Å; D34-S36 PolarHBondContact OD1-N 2.83Å; D34-S36 VanDerWaalsContact OD1-N 3.08Å; D34-S36 PolarHBondContact OD1-OG 3.16Å; D34-R53 IonicContact OD1-NH2 2.89Å; D34-R53 PolarHBondContact OD1-NH2 3.38Å; D34-R53 IonicContact OD2-CZ 2.68Å; D34-R53 IonicContact OD2-NH2 2.81Å; D34-R53 PolarHBondContact OD2-NH2 3.23Å
35	G	85	Confident	83.5	Confident	56 Å²	56	68.7 Å²	68.7	58%	0.577	37%	0.368	S	S	*	.	S	Bend	trans	75.2	4.7	-180	0	0	0	0	0	114.5	Y32 I33	Y32-G35 PolarHBondContact O-N 3.4Å; Y32-G35 VanDerWaalsContact O-N 3.16Å; I33-G35 PolarHBondContact O-N 3.2Å
36	S	90.3	Very high	84.5	Confident	12 Å²	12	62.5 Å²	62.5	8%	0.084	35%	0.348	C	S	.	.			trans	-75	164.7	171.7	66.9	0	0	0	0	111.9	Y32 D34 R53 V54	Y32-S36 WeakPolarHBondContact CB-O 3.37Å; Y32-S36 VanDerWaalsContact CD2-O 3.32Å; Y32-S36 WeakPolarHBondContact CD2-O 3.47Å; D34-S36 PolarHBondContact O-N 2.86Å; D34-S36 VanDerWaalsContact OD1-CB 3.28Å; D34-S36 WeakPolarHBondContact OD1-CB 3.14Å; D34-S36 PolarHBondContact OD1-N 2.83Å; D34-S36 VanDerWaalsContact OD1-N 3.08Å; D34-S36 PolarHBondContact OD1-OG 3.16Å; S36-R53 VanDerWaalsContact OG-CZ 3.25Å; S36-R53 PolarHBondContact OG-NE 3.34Å; S36-R53 PolarHBondContact OG-NH2 2.81Å; S36-V54 CarbonylContact C-O 3.47Å; S36-V54 WeakPolarHBondContact CA-O 3.2Å; S36-V54 WeakPolarHBondContact CB-O 3.47Å
37	W	92.7	Very high	85.2	Confident	46 Å²	46	62.9 Å²	62.9	17%	0.174	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	162.3	-177.8	44.4	-89.1	0	0	0	110.2	L39 V54 L98 I103 Q104 S105	W37-L39 HydrophobicContact CE3-CB 4.07Å; W37-L39 HydrophobicContact CH2-CB 4.38Å; W37-L39 HydrophobicContact CH2-CD1 4.28Å; W37-L39 HydrophobicContact CH2-CD2 4.19Å; W37-L39 HydrophobicContact CZ3-CB 3.52Å; W37-L39 HydrophobicContact CZ3-CD1 3.71Å; W37-L39 HydrophobicContact CZ3-CD2 4.09Å; W37-L39 HydrophobicContact CZ3-CG 3.94Å; W37-V54 HydrophobicContact CD2-CG2 3.9Å; W37-V54 HydrophobicContact CE3-CG2 3.7Å; W37-V54 HydrophobicContact CH2-CG2 3.74Å; W37-V54 HydrophobicContact CZ2-CG2 3.91Å; W37-V54 HydrophobicContact CZ3-CG2 3.65Å; W37-V54 PolarHBondContact N-O 2.85Å; W37-V54 PolarHBondContact O-N 3.16Å; W37-L98 HydrophobicContact CH2-CD1 4.23Å; W37-L98 HydrophobicContact CZ2-CD1 4.29Å; W37-I103 HydrophobicContact CH2-CG2 4.05Å; W37-I103 WeakPolarHBondContact CZ2-O 3.49Å; W37-Q104 VanDerWaalsContact CH2-C 3.45Å; W37-Q104 WeakPolarHBondContact CZ3-O 3.35Å; W37-S105 VanDerWaalsContact CZ3-N 3.34Å
38	E	92.7	Very high	86.2	Confident	105 Å²	105	62.5 Å²	62.5	49%	0.491	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	130.4	176.3	-71.6	-167.2	-178.2	0	0	111.1	Y32 V52	Y32-E38 HydrophobicContact CE2-CG 4.29Å; Y32-E38 PolarHBondContact OH-OE1 3.09Å; E38-V52 WeakPolarHBondContact CA-O 3.36Å
39	L	95.1	Very high	87.2	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	125.6	175.2	-177.6	56.5	0	0	0	109.3	W37 V41 S51 V52 V54 L63 L98 I103 A107 L109	W37-L39 HydrophobicContact CE3-CB 4.07Å; W37-L39 HydrophobicContact CH2-CB 4.38Å; W37-L39 HydrophobicContact CH2-CD1 4.28Å; W37-L39 HydrophobicContact CH2-CD2 4.19Å; W37-L39 HydrophobicContact CZ3-CB 3.52Å; W37-L39 HydrophobicContact CZ3-CD1 3.71Å; W37-L39 HydrophobicContact CZ3-CD2 4.09Å; W37-L39 HydrophobicContact CZ3-CG 3.94Å; L39-V41 HydrophobicContact CD2-CG2 4.29Å; L39-V41 HydrophobicContact CG-CG2 4Å; L39-S51 WeakPolarHBondContact O-CA 3.03Å; L39-V52 HydrophobicContact CB-CG2 4.34Å; L39-V52 PolarHBondContact N-O 2.98Å; L39-V52 PolarHBondContact O-N 3.43Å; L39-V54 HydrophobicContact CB-CG1 4.49Å; L39-V54 HydrophobicContact CB-CG2 3.78Å; L39-V54 HydrophobicContact CD2-CG2 4.24Å; L39-L63 HydrophobicContact CD2-CD1 3.98Å; L39-L63 HydrophobicContact CD2-CD2 3.73Å; L39-L98 HydrophobicContact CD2-CD1 4.34Å; L39-I103 HydrophobicContact CD1-CG2 4.4Å; L39-I103 HydrophobicContact CD2-CG2 4.42Å; L39-A107 HydrophobicContact CD1-CB 4.46Å; L39-L109 HydrophobicContact CD1-CD1 4.02Å; L39-L109 HydrophobicContact CD2-CD1 3.84Å; L39-L109 HydrophobicContact CG-CD1 4.3Å
40	S	94.8	Very high	88.2	Confident	51 Å²	51	56.9 Å²	56.9	36%	0.357	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	118.9	176.2	-171.3	0	0	0	0	110.2
41	V	96.5	Very high	89.4	Confident	0 Å²	0	57 Å²	57	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	126	179.4	-173.3	0	0	0	0	109.5	L39 V43 N49 V50 I67 L109 F111	L39-V41 HydrophobicContact CD2-CG2 4.29Å; L39-V41 HydrophobicContact CG-CG2 4Å; V41-V43 PolarHBondContact O-N 3.27Å; V41-N49 WeakPolarHBondContact O-CA 3.28Å; V41-V50 PolarHBondContact N-O 3.26Å; V41-V50 PolarHBondContact O-N 3.46Å; V41-I67 HydrophobicContact CB-CD1 4.05Å; V41-I67 HydrophobicContact CB-CG1 4.42Å; V41-I67 HydrophobicContact CG1-CD1 3.83Å; V41-I67 HydrophobicContact CG2-CD1 4.03Å; V41-I67 HydrophobicContact CG2-CG1 4.47Å; V41-L109 HydrophobicContact CB-CB 4.48Å; V41-L109 HydrophobicContact CG1-CB 4.01Å; V41-L109 HydrophobicContact CG2-CB 4.13Å; V41-L109 HydrophobicContact CG2-CD1 4.3Å; V41-F111 HydrophobicContact CG1-CB 4.11Å
42	R	95.5	Very high	90.3	Very high	121 Å²	121	51.3 Å²	51.3	46%	0.457	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	120.7	174.9	-173.5	173.3	178.4	176.7	-2.3	110	N47 N49 L109 V110 F111	R42-N47 PolarHBondContact NE-OD1 3.07Å; R42-N47 PolarHBondContact NH2-OD1 3.3Å; R42-N49 WeakPolarHBondContact CA-OD1 3.45Å; R42-N49 WeakPolarHBondContact CB-OD1 3.45Å; R42-N49 WeakPolarHBondContact CG-OD1 3.36Å; R42-L109 PolarHBondContact N-O 3.01Å; R42-V110 HydrophobicContact CB-CG2 4.27Å; R42-V110 CarbonylContact O-C 3.53Å; R42-V110 VanDerWaalsContact O-CA 3.24Å; R42-V110 WeakPolarHBondContact O-CA 3.47Å; R42-F111 PolarHBondContact O-N 3.38Å
43	V	94.4	Very high	91	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	117.8	174.4	-176	0	0	0	0	108.7	V41 I46 N47 T48 V50 I67 V71 W77 F111	V41-V43 PolarHBondContact O-N 3.27Å; V43-I46 HydrophobicContact CB-CD1 3.9Å; V43-I46 HydrophobicContact CB-CG1 3.67Å; V43-I46 HydrophobicContact CG1-CD1 3.98Å; V43-I46 HydrophobicContact CG1-CG1 3.67Å; V43-I46 HydrophobicContact CG2-CD1 4.46Å; V43-N47 WeakPolarHBondContact O-CA 3.39Å; V43-N47 PolarHBondContact O-N 3.2Å; V43-T48 PolarHBondContact N-O 3.39Å; V43-T48 PolarHBondContact O-N 3.42Å; V43-V50 HydrophobicContact CG2-CB 4.32Å; V43-V50 HydrophobicContact CG2-CG2 3.69Å; V43-I67 HydrophobicContact CG2-CG2 3.65Å; V43-V71 HydrophobicContact CG1-CG2 4.41Å; V43-V71 HydrophobicContact CG2-CG2 3.95Å; V43-W77 HydrophobicContact CG1-CH2 4Å; V43-W77 HydrophobicContact CG1-CZ3 4Å; V43-F111 HydrophobicContact CG1-CD1 4.25Å; V43-F111 HydrophobicContact CG2-CB 4.33Å
44	E	89.7	Confident	91.7	Very high	36 Å²	36	48.6 Å²	48.6	17%	0.168	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-50.7	-173.3	-173.5	-168.6	-166.3	0	0	112.5	I46 N47 F111 H112 R113	E44-I46 PolarHBondContact O-N 3.21Å; E44-N47 PolarHBondContact O-N 3.06Å; E44-F111 WeakPolarHBondContact CB-O 3.5Å; E44-F111 PolarHBondContact N-O 2.97Å; E44-F111 VanDerWaalsContact N-O 3.09Å; E44-H112 IonicContact OE1-CD2 3.97Å; E44-H112 IonicContact OE1-CE1 3.11Å; E44-H112 PolarHBondContact OE1-CE1 3.09Å; E44-H112 VanDerWaalsContact OE1-CE1 3.27Å; E44-H112 IonicContact OE1-NE2 2.86Å; E44-H112 PolarHBondContact OE1-NE2 3.45Å; E44-H112 IonicContact OE2-CD2 2.85Å; E44-H112 PolarHBondContact OE2-CD2 2.92Å; E44-H112 IonicContact OE2-CE1 3.74Å; E44-H112 PolarHBondContact OE2-CE1 3.18Å; E44-H112 IonicContact OE2-CG 4Å; E44-H112 VanDerWaalsContact OE2-CG 3.27Å; E44-H112 IonicContact OE2-ND1 3.7Å; E44-H112 PolarHBondContact OE2-ND1 3.16Å; E44-H112 IonicContact OE2-NE2 3.82Å; E44-H112 PolarHBondContact OE2-NE2 3.37Å; E44-R113 PolarHBondContact OE2-N 3.37Å
45	D	86.2	Confident	92.2	Very high	25 Å²	25	47.1 Å²	47.1	13%	0.134	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-30.9	-175	-75.8	22.2	0	0	0	114.1	Q75 H80 R113	D45-Q75 PolarHBondContact OD2-NE2 2.98Å; D45-Q75 VanDerWaalsContact OD2-NE2 3.09Å; D45-H80 IonicContact OD1-NE2 2.77Å; D45-H80 PolarHBondContact OD1-NE2 2.83Å; D45-H80 IonicContact OD2-CE1 3.48Å; D45-H80 IonicContact OD2-NE2 3.29Å; D45-H80 PolarHBondContact OD2-NE2 2.78Å; D45-R113 IonicContact OD1-CZ 2.68Å; D45-R113 IonicContact OD1-NE 3.42Å; D45-R113 PolarHBondContact OD1-NE 2.86Å; D45-R113 IonicContact OD1-NH2 3.3Å; D45-R113 IonicContact OD2-CZ 2.99Å; D45-R113 IonicContact OD2-NE 2.67Å; D45-R113 PolarHBondContact OD2-NE 3.45Å; D45-R113 IonicContact OD2-NH2 3.99Å; D45-R113 PolarHBondContact OD2-NH2 2.8Å
46	I	88.2	Confident	92.5	Very high	57 Å²	57	44.9 Å²	44.9	29%	0.292	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.6	-4.5	179.2	56.7	178.2	0	0	0	112.8	V43 E44 T48 V71 L73	V43-I46 HydrophobicContact CB-CD1 3.9Å; V43-I46 HydrophobicContact CB-CG1 3.67Å; V43-I46 HydrophobicContact CG1-CD1 3.98Å; V43-I46 HydrophobicContact CG1-CG1 3.67Å; V43-I46 HydrophobicContact CG2-CD1 4.46Å; E44-I46 PolarHBondContact O-N 3.21Å; I46-T48 WeakPolarHBondContact CD1-OG1 3.39Å; I46-T48 WeakPolarHBondContact CG1-OG1 3.44Å; I46-T48 PolarHBondContact O-N 3.38Å; I46-V71 HydrophobicContact CD1-CB 4.4Å; I46-V71 HydrophobicContact CD1-CG1 3.81Å; I46-V71 HydrophobicContact CD1-CG2 3.79Å; I46-L73 HydrophobicContact CG2-CD1 3.41Å; I46-L73 VanDerWaalsContact CG2-CD1 3.41Å
47	N	88	Confident	92.7	Very high	103 Å²	103	49.6 Å²	49.6	55%	0.551	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.3	34.7	-176.6	-164.5	32.8	0	0	0	114.8	R42 V43 E44	R42-N47 PolarHBondContact NE-OD1 3.07Å; R42-N47 PolarHBondContact NH2-OD1 3.3Å; V43-N47 WeakPolarHBondContact O-CA 3.39Å; V43-N47 PolarHBondContact O-N 3.2Å; E44-N47 PolarHBondContact O-N 3.06Å
48	T	91.4	Very high	92.9	Very high	68 Å²	68	48.9 Å²	48.9	42%	0.417	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	151.4	178.9	60.7	0	0	0	0	112	V43 I46	V43-T48 PolarHBondContact N-O 3.39Å; V43-T48 PolarHBondContact O-N 3.42Å; I46-T48 WeakPolarHBondContact CD1-OG1 3.39Å; I46-T48 WeakPolarHBondContact CG1-OG1 3.44Å; I46-T48 PolarHBondContact O-N 3.38Å
49	N	94.1	Very high	93.1	Very high	107 Å²	107	46.5 Å²	46.5	57%	0.572	25%	0.252	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.2	133.2	170	-64.2	-31.2	0	0	0	110.4	V41 R42	V41-N49 WeakPolarHBondContact O-CA 3.28Å; R42-N49 WeakPolarHBondContact CA-OD1 3.45Å; R42-N49 WeakPolarHBondContact CB-OD1 3.45Å; R42-N49 WeakPolarHBondContact CG-OD1 3.36Å
50	V	93.9	Very high	93	Very high	15 Å²	15	46.5 Å²	46.5	9%	0.091	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	120	176.4	176.3	0	0	0	0	108	V41 V43 V52 K70 V71	V41-V50 PolarHBondContact N-O 3.26Å; V41-V50 PolarHBondContact O-N 3.46Å; V43-V50 HydrophobicContact CG2-CB 4.32Å; V43-V50 HydrophobicContact CG2-CG2 3.69Å; V50-V52 HydrophobicContact CG1-CG1 4.17Å; V50-K70 HydrophobicContact CG1-CB 3.46Å; V50-K70 VanDerWaalsContact CG1-CB 3.46Å; V50-K70 HydrophobicContact CG1-CG 4.01Å; V50-V71 HydrophobicContact CG2-CG2 3.85Å
51	S	94.1	Very high	93	Very high	63 Å²	63	44.8 Å²	44.8	44%	0.441	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	122.8	172.6	-61.2	0	0	0	0	110.3	L39	L39-S51 WeakPolarHBondContact O-CA 3.03Å
52	V	93.8	Very high	93	Very high	3 Å²	3	45.9 Å²	45.9	2%	0.018	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	143.9	175.3	-74.2	0	0	0	0	109.7	E38 L39 V50 V54 L63 L66 K70	E38-V52 WeakPolarHBondContact CA-O 3.36Å; L39-V52 HydrophobicContact CB-CG2 4.34Å; L39-V52 PolarHBondContact N-O 2.98Å; L39-V52 PolarHBondContact O-N 3.43Å; V50-V52 HydrophobicContact CG1-CG1 4.17Å; V52-V54 HydrophobicContact CB-CG1 4.3Å; V52-V54 HydrophobicContact CG2-CG1 3.83Å; V52-L63 HydrophobicContact CG2-CD1 3.64Å; V52-L66 HydrophobicContact CB-CB 4.4Å; V52-L66 HydrophobicContact CG1-CB 3.95Å; V52-K70 HydrophobicContact CG1-CG 3.74Å
53	R	92.3	Very high	93	Very high	79 Å²	79	40.1 Å²	40.1	30%	0.298	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	126	173	-177.1	175.3	174.8	172.9	-2.1	108.8	S24 D34 S36	S24-R53 PolarHBondContact O-NH1 3Å; S24-R53 PolarHBondContact O-NH2 2.91Å; D34-R53 IonicContact OD1-NH2 2.89Å; D34-R53 PolarHBondContact OD1-NH2 3.38Å; D34-R53 IonicContact OD2-CZ 2.68Å; D34-R53 IonicContact OD2-NH2 2.81Å; D34-R53 PolarHBondContact OD2-NH2 3.23Å; S36-R53 VanDerWaalsContact OG-CZ 3.25Å; S36-R53 PolarHBondContact OG-NE 3.34Å; S36-R53 PolarHBondContact OG-NH2 2.81Å
54	V	94.2	Very high	93.1	Very high	5 Å²	5	42.1 Å²	42.1	3%	0.03	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	158.8	-172.3	-58.5	0	0	0	0	111.3	S36 W37 L39 V52 L58 L63 L66 L98	S36-V54 CarbonylContact C-O 3.47Å; S36-V54 WeakPolarHBondContact CA-O 3.2Å; S36-V54 WeakPolarHBondContact CB-O 3.47Å; W37-V54 HydrophobicContact CD2-CG2 3.9Å; W37-V54 HydrophobicContact CE3-CG2 3.7Å; W37-V54 HydrophobicContact CH2-CG2 3.74Å; W37-V54 HydrophobicContact CZ2-CG2 3.91Å; W37-V54 HydrophobicContact CZ3-CG2 3.65Å; W37-V54 PolarHBondContact N-O 2.85Å; W37-V54 PolarHBondContact O-N 3.16Å; L39-V54 HydrophobicContact CB-CG1 4.49Å; L39-V54 HydrophobicContact CB-CG2 3.78Å; L39-V54 HydrophobicContact CD2-CG2 4.24Å; V52-V54 HydrophobicContact CB-CG1 4.3Å; V52-V54 HydrophobicContact CG2-CG1 3.83Å; V54-L58 HydrophobicContact CB-CD2 3.84Å; V54-L58 HydrophobicContact CG1-CD2 3.58Å; V54-L63 HydrophobicContact CG1-CD1 4.08Å; V54-L66 HydrophobicContact CG1-CD1 4.21Å; V54-L98 HydrophobicContact CB-CD1 3.95Å; V54-L98 HydrophobicContact CG1-CD1 4.46Å; V54-L98 HydrophobicContact CG2-CD1 3.82Å
55	S	93	Very high	93.2	Very high	38 Å²	38	46.6 Å²	46.6	27%	0.266	26%	0.262	S	S	.	.			trans	-118.7	158.5	170.5	51.4	0	0	0	0	109.6	D57 L58	S55-D57 WeakPolarHBondContact CB-OD1 3.5Å; S55-D57 PolarHBondContact O-N 3.47Å; S55-D57 PolarHBondContact OG-OD1 3.22Å; S55-L58 WeakPolarHBondContact O-CB 3.43Å; S55-L58 PolarHBondContact O-N 3.5Å; S55-L58 VanDerWaalsContact O-N 3.07Å
56	G	92.4	Very high	93.7	Very high	8 Å²	8	48 Å²	48	8%	0.082	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-26.6	-175.3	0	0	0	0	0	114.7	L58 T97 L98 D99	G56-L58 VanDerWaalsContact C-N 3.3Å; G56-L58 PolarHBondContact O-N 2.89Å; G56-T97 WeakPolarHBondContact O-CB 3.34Å; G56-L98 PolarHBondContact O-N 2.98Å; G56-D99 VanDerWaalsContact C-CG 3.48Å; G56-D99 VanDerWaalsContact CA-OD1 3.24Å; G56-D99 WeakPolarHBondContact CA-OD1 3.32Å; G56-D99 WeakPolarHBondContact CA-OD2 3.46Å; G56-D99 WeakPolarHBondContact O-CB 3.46Å; G56-D99 PolarHBondContact O-N 3.21Å
57	D	94.3	Very high	94	Very high	111 Å²	111	45.3 Å²	45.3	59%	0.594	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-9.7	176.2	65.8	-33.6	0	0	0	113.9	S55 P59 T97	S55-D57 WeakPolarHBondContact CB-OD1 3.5Å; S55-D57 PolarHBondContact O-N 3.47Å; S55-D57 PolarHBondContact OG-OD1 3.22Å; D57-P59 VanDerWaalsContact O-CD 3.3Å; D57-P59 WeakPolarHBondContact O-CD 3.37Å; D57-T97 VanDerWaalsContact O-CG2 3.27Å; D57-T97 WeakPolarHBondContact O-CG2 3.05Å
58	L	96.2	Very high	94.2	Very high	32 Å²	32	42.2 Å²	42.2	17%	0.168	24%	0.24	C	C	.	.			trans	-61.9	123.7	178.6	-176.6	67.3	0	0	0	110.5	V54 S55 G56 L63 L66 T97 L98	V54-L58 HydrophobicContact CB-CD2 3.84Å; V54-L58 HydrophobicContact CG1-CD2 3.58Å; S55-L58 WeakPolarHBondContact O-CB 3.43Å; S55-L58 PolarHBondContact O-N 3.5Å; S55-L58 VanDerWaalsContact O-N 3.07Å; G56-L58 VanDerWaalsContact C-N 3.3Å; G56-L58 PolarHBondContact O-N 2.89Å; L58-L63 HydrophobicContact CD2-CB 4Å; L58-L66 HydrophobicContact CD2-CD1 3.77Å; L58-T97 WeakPolarHBondContact O-CA 3.46Å; L58-L98 HydrophobicContact CB-CD1 4.24Å; L58-L98 HydrophobicContact CB-CG 4.39Å; L58-L98 HydrophobicContact CD2-CD1 4.3Å; L58-L98 WeakPolarHBondContact O-CG 3.42Å; L58-L98 PolarHBondContact O-N 3.07Å
59	P	96.5	Very high	94.3	Very high	54 Å²	54	45.4 Å²	45.4	35%	0.351	25%	0.25	S	S	.	.	B	Isolated β-bridge	trans	-65.2	147.9	171.4	-22.1	34.7	0	0	0	111.7	D57 G61 G62 L63	D57-P59 VanDerWaalsContact O-CD 3.3Å; D57-P59 WeakPolarHBondContact O-CD 3.37Å; P59-G61 PolarHBondContact O-N 3.32Å; P59-G62 WeakPolarHBondContact O-CA 3.31Å; P59-G62 PolarHBondContact O-N 2.86Å; P59-L63 PolarHBondContact O-N 3.21Å; P59-L63 VanDerWaalsContact O-N 3.08Å
60	L	94.6	Very high	94.2	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.005	25%	0.251	C	S	.	.	H	α-helix	trans	-52.6	-40.3	177.3	-175.2	76.1	0	0	0	112.9	G62 L63 M64 I82 L91 S94 T96 Y101	L60-G62 VanDerWaalsContact C-N 3.29Å; L60-G62 PolarHBondContact O-N 3.02Å; L60-L63 WeakPolarHBondContact O-CB 3.3Å; L60-L63 PolarHBondContact O-N 2.94Å; L60-M64 WeakPolarHBondContact O-CG 3.36Å; L60-M64 PolarHBondContact O-N 2.68Å; L60-I82 HydrophobicContact CD1-CB 4.32Å; L60-I82 HydrophobicContact CD1-CD1 3.59Å; L60-I82 HydrophobicContact CD1-CG1 4.46Å; L60-I82 HydrophobicContact CG-CD1 4.23Å; L60-L91 HydrophobicContact CD1-CB 3.89Å; L60-L91 HydrophobicContact CD1-CD1 3.87Å; L60-L91 HydrophobicContact CD2-CB 3.62Å; L60-L91 WeakPolarHBondContact CD2-O 3.44Å; L60-L91 HydrophobicContact CG-CB 4.42Å; L60-S94 PolarHBondContact N-O 2.99Å; L60-T96 PolarHBondContact N-O 3.13Å; L60-Y101 HydrophobicContact CB-CE2 4.22Å; L60-Y101 HydrophobicContact CD1-CE2 4.47Å; L60-Y101 HydrophobicContact CD2-CE2 4.06Å; L60-Y101 HydrophobicContact CG-CE2 4.5Å
61	G	94.6	Very high	94.1	Very high	15 Å²	15	47 Å²	47	16%	0.155	25%	0.253	C	S	.	.	H	α-helix	trans	-62.1	-36.5	175.1	0	0	0	0	0	112.8	P59 M64 H65 S94	P59-G61 PolarHBondContact O-N 3.32Å; G61-M64 PolarHBondContact O-N 3.18Å; G61-H65 PolarHBondContact O-CD2 3.33Å; G61-H65 PolarHBondContact O-N 3.01Å; G61-H65 VanDerWaalsContact O-N 3.09Å; G61-S94 PolarHBondContact N-O 3.41Å
62	G	95.9	Very high	93.7	Very high	22 Å²	22	52.5 Å²	52.5	23%	0.227	27%	0.269	C	S	.	.	H	α-helix	trans	-64.5	-41.8	173.3	0	0	0	0	0	112.3	P59 L60 M64 H65 L66	P59-G62 WeakPolarHBondContact O-CA 3.31Å; P59-G62 PolarHBondContact O-N 2.86Å; L60-G62 VanDerWaalsContact C-N 3.29Å; L60-G62 PolarHBondContact O-N 3.02Å; G62-M64 VanDerWaalsContact C-N 3.34Å; G62-M64 PolarHBondContact O-N 2.98Å; G62-H65 PolarHBondContact O-N 3.46Å; G62-L66 PolarHBondContact O-N 2.96Å
63	L	96	Very high	93.3	Very high	0 Å²	0	56 Å²	56	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-58.9	-44.7	172.5	171.6	60.3	0	0	0	111.7	L39 V52 V54 L58 P59 L60 H65 L66 I67 I82 L98 L109	L39-L63 HydrophobicContact CD2-CD1 3.98Å; L39-L63 HydrophobicContact CD2-CD2 3.73Å; V52-L63 HydrophobicContact CG2-CD1 3.64Å; V54-L63 HydrophobicContact CG1-CD1 4.08Å; L58-L63 HydrophobicContact CD2-CB 4Å; P59-L63 PolarHBondContact O-N 3.21Å; P59-L63 VanDerWaalsContact O-N 3.08Å; L60-L63 WeakPolarHBondContact O-CB 3.3Å; L60-L63 PolarHBondContact O-N 2.94Å; L63-H65 VanDerWaalsContact C-N 3.31Å; L63-H65 PolarHBondContact O-N 2.98Å; L63-L66 PolarHBondContact O-N 2.78Å; L63-I67 HydrophobicContact CD1-CD1 4.06Å; L63-I67 HydrophobicContact CD1-CG1 4.2Å; L63-I67 HydrophobicContact CG-CD1 4.01Å; L63-I67 WeakPolarHBondContact O-CG1 3.41Å; L63-I67 PolarHBondContact O-N 3.36Å; L63-I82 HydrophobicContact CD2-CD1 3.71Å; L63-I82 HydrophobicContact CG-CD1 3.93Å; L63-L98 HydrophobicContact CD2-CD2 3.76Å; L63-L109 HydrophobicContact CD2-CD1 4.23Å
64	M	94.8	Very high	92.8	Very high	42 Å²	42	62 Å²	62	21%	0.207	32%	0.318	C	S	.	.	H	α-helix	trans	-59.1	-42.1	176.8	-65.9	168.2	68.7	0	0	111.8	L60 G61 G62 I67 V68 H80 I82 F111	L60-M64 WeakPolarHBondContact O-CG 3.36Å; L60-M64 PolarHBondContact O-N 2.68Å; G61-M64 PolarHBondContact O-N 3.18Å; G62-M64 VanDerWaalsContact C-N 3.34Å; G62-M64 PolarHBondContact O-N 2.98Å; M64-I67 PolarHBondContact O-N 3.19Å; M64-V68 WeakPolarHBondContact O-CG2 3.45Å; M64-V68 PolarHBondContact O-N 2.99Å; M64-V68 VanDerWaalsContact O-N 3.1Å; M64-H80 WeakPolarHBondContact CE-O 3.43Å; M64-I82 HydrophobicContact CG-CD1 3.63Å; M64-I82 HydrophobicContact CG-CG1 4.08Å; M64-F111 HydrophobicContact CB-CE2 4.38Å; M64-F111 HydrophobicContact CE-CE2 3.92Å; M64-F111 HydrophobicContact CE-CZ 4.39Å; M64-F111 HydrophobicContact CG-CE2 4.02Å
65	H	93.8	Very high	92.4	Very high	131 Å²	131	65.4 Å²	65.4	61%	0.606	33%	0.334	S	S	*	.	H	α-helix	trans	-61.7	-45.6	175.1	-75.5	-63.2	0	0	0	112.5	G61 G62 L63 I67 V68 E69	G61-H65 PolarHBondContact O-CD2 3.33Å; G61-H65 PolarHBondContact O-N 3.01Å; G61-H65 VanDerWaalsContact O-N 3.09Å; G62-H65 PolarHBondContact O-N 3.46Å; L63-H65 VanDerWaalsContact C-N 3.31Å; L63-H65 PolarHBondContact O-N 2.98Å; H65-I67 VanDerWaalsContact C-N 3.3Å; H65-I67 PolarHBondContact O-N 3.07Å; H65-V68 PolarHBondContact O-N 3.48Å; H65-E69 WeakPolarHBondContact O-CG 3.33Å; H65-E69 PolarHBondContact O-N 3.35Å
66	L	95.6	Very high	92.1	Very high	54 Å²	54	67.2 Å²	67.2	28%	0.283	35%	0.347	S	S	.	.	H	α-helix	trans	-60.6	-38.8	177.6	-69.8	176.8	0	0	0	112.6	V52 V54 L58 G62 L63 K70	V52-L66 HydrophobicContact CB-CB 4.4Å; V52-L66 HydrophobicContact CG1-CB 3.95Å; V54-L66 HydrophobicContact CG1-CD1 4.21Å; L58-L66 HydrophobicContact CD2-CD1 3.77Å; G62-L66 PolarHBondContact O-N 2.96Å; L63-L66 PolarHBondContact O-N 2.78Å; L66-K70 WeakPolarHBondContact O-CB 3.42Å; L66-K70 WeakPolarHBondContact O-CG 3.45Å; L66-K70 PolarHBondContact O-N 3.06Å
67	I	94.6	Very high	91.9	Very high	0 Å²	0	68.1 Å²	68.1	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-62.2	-50.1	175.5	-66	161.5	0	0	0	109.7	V41 V43 L63 M64 H65 E69 K70 V71 I82 F111	V41-I67 HydrophobicContact CB-CD1 4.05Å; V41-I67 HydrophobicContact CB-CG1 4.42Å; V41-I67 HydrophobicContact CG1-CD1 3.83Å; V41-I67 HydrophobicContact CG2-CD1 4.03Å; V41-I67 HydrophobicContact CG2-CG1 4.47Å; V43-I67 HydrophobicContact CG2-CG2 3.65Å; L63-I67 HydrophobicContact CD1-CD1 4.06Å; L63-I67 HydrophobicContact CD1-CG1 4.2Å; L63-I67 HydrophobicContact CG-CD1 4.01Å; L63-I67 WeakPolarHBondContact O-CG1 3.41Å; L63-I67 PolarHBondContact O-N 3.36Å; M64-I67 PolarHBondContact O-N 3.19Å; H65-I67 VanDerWaalsContact C-N 3.3Å; H65-I67 PolarHBondContact O-N 3.07Å; I67-E69 VanDerWaalsContact C-N 3.35Å; I67-E69 PolarHBondContact O-N 3.35Å; I67-K70 PolarHBondContact O-N 3.34Å; I67-K70 VanDerWaalsContact O-N 3.16Å; I67-V71 HydrophobicContact CG2-CG2 4.23Å; I67-V71 VanDerWaalsContact O-CG2 3.28Å; I67-V71 WeakPolarHBondContact O-CG2 3.32Å; I67-V71 PolarHBondContact O-N 3.12Å; I67-I82 HydrophobicContact CD1-CD1 4.31Å; I67-F111 HydrophobicContact CG2-CD1 3.83Å; I67-F111 HydrophobicContact CG2-CE1 4.26Å; I67-F111 HydrophobicContact CG2-CG 4.36Å
68	V	93.1	Very high	91.6	Very high	38 Å²	38	66.1 Å²	66.1	23%	0.23	34%	0.342	C	S	.	.	H	α-helix	trans	-60.7	-43.2	-179.3	171.1	0	0	0	0	111.6	M64 H65 K70 V71 K72 W77 F111	M64-V68 WeakPolarHBondContact O-CG2 3.45Å; M64-V68 PolarHBondContact O-N 2.99Å; M64-V68 VanDerWaalsContact O-N 3.1Å; H65-V68 PolarHBondContact O-N 3.48Å; V68-K70 VanDerWaalsContact C-N 3.32Å; V68-K70 PolarHBondContact O-N 3.08Å; V68-V71 PolarHBondContact O-N 3.48Å; V68-K72 PolarHBondContact O-N 3.01Å; V68-K72 VanDerWaalsContact O-N 3.14Å; V68-W77 HydrophobicContact CB-CG 4.5Å; V68-W77 VanDerWaalsContact CG1-CD1 3.47Å; V68-W77 HydrophobicContact CG1-CG 4.17Å; V68-W77 HydrophobicContact CG2-CB 3.81Å; V68-W77 HydrophobicContact CG2-CD2 3.89Å; V68-W77 HydrophobicContact CG2-CG 3.51Å; V68-F111 HydrophobicContact CG2-CE1 4.11Å; V68-F111 HydrophobicContact CG2-CZ 4.35Å
69	E	92.4	Very high	91.3	Very high	136 Å²	136	66.3 Å²	66.3	64%	0.636	34%	0.344	S	S	*	.	H	α-helix	trans	-60.9	-38.6	175.7	-75.3	180	-179.8	0	0	112.6	H65 I67 K72	H65-E69 WeakPolarHBondContact O-CG 3.33Å; H65-E69 PolarHBondContact O-N 3.35Å; I67-E69 VanDerWaalsContact C-N 3.35Å; I67-E69 PolarHBondContact O-N 3.35Å; E69-K72 WeakPolarHBondContact O-CG 3.42Å
70	K	91.8	Very high	91.2	Very high	134 Å²	134	64 Å²	64	58%	0.583	33%	0.328	S	S	*	.	H	α-helix	trans	-72.3	-37.7	176.8	-77.4	-72.7	-173.1	170.1	0	113	V50 V52 L66 I67 V68 K72	V50-K70 HydrophobicContact CG1-CB 3.46Å; V50-K70 VanDerWaalsContact CG1-CB 3.46Å; V50-K70 HydrophobicContact CG1-CG 4.01Å; V52-K70 HydrophobicContact CG1-CG 3.74Å; L66-K70 WeakPolarHBondContact O-CB 3.42Å; L66-K70 WeakPolarHBondContact O-CG 3.45Å; L66-K70 PolarHBondContact O-N 3.06Å; I67-K70 PolarHBondContact O-N 3.34Å; I67-K70 VanDerWaalsContact O-N 3.16Å; V68-K70 VanDerWaalsContact C-N 3.32Å; V68-K70 PolarHBondContact O-N 3.08Å; K70-K72 VanDerWaalsContact C-N 3.29Å; K70-K72 PolarHBondContact O-N 3.37Å
71	V	91.2	Very high	91.2	Very high	21 Å²	21	64.2 Å²	64.2	13%	0.127	33%	0.33	C	S	.	.	H	α-helix	trans	-66.6	-31.5	178.7	170.6	0	0	0	0	111.6	V43 I46 V50 I67 V68 L73 W77	V43-V71 HydrophobicContact CG1-CG2 4.41Å; V43-V71 HydrophobicContact CG2-CG2 3.95Å; I46-V71 HydrophobicContact CD1-CB 4.4Å; I46-V71 HydrophobicContact CD1-CG1 3.81Å; I46-V71 HydrophobicContact CD1-CG2 3.79Å; V50-V71 HydrophobicContact CG2-CG2 3.85Å; I67-V71 HydrophobicContact CG2-CG2 4.23Å; I67-V71 VanDerWaalsContact O-CG2 3.28Å; I67-V71 WeakPolarHBondContact O-CG2 3.32Å; I67-V71 PolarHBondContact O-N 3.12Å; V68-V71 PolarHBondContact O-N 3.48Å; V71-L73 HydrophobicContact CG1-CB 3.91Å; V71-L73 HydrophobicContact CG1-CD1 3.67Å; V71-L73 HydrophobicContact CG1-CG 3.64Å; V71-L73 PolarHBondContact O-N 3.43Å; V71-L73 VanDerWaalsContact O-N 3.17Å; V71-W77 HydrophobicContact CB-CZ2 4.34Å; V71-W77 HydrophobicContact CG1-CH2 3.94Å; V71-W77 HydrophobicContact CG1-CZ2 3.63Å
72	K	85.8	Confident	91.2	Very high	179 Å²	179	63.5 Å²	63.5	78%	0.778	32%	0.323	S	S	*	.			trans	55.6	27.8	177.4	-61.3	-176.4	177.5	-178.1	0	114.7	V68 E69 K70	V68-K72 PolarHBondContact O-N 3.01Å; V68-K72 VanDerWaalsContact O-N 3.14Å; E69-K72 WeakPolarHBondContact O-CG 3.42Å; K70-K72 VanDerWaalsContact C-N 3.29Å; K70-K72 PolarHBondContact O-N 3.37Å
73	L	87.1	Confident	91.2	Very high	77 Å²	77	63.4 Å²	63.4	40%	0.403	32%	0.315	S	S	.	.			trans	-97.9	129.4	173.5	-67.6	176.9	0	0	0	111	I46 V71 Q75 W77	I46-L73 HydrophobicContact CG2-CD1 3.41Å; I46-L73 VanDerWaalsContact CG2-CD1 3.41Å; V71-L73 HydrophobicContact CG1-CB 3.91Å; V71-L73 HydrophobicContact CG1-CD1 3.67Å; V71-L73 HydrophobicContact CG1-CG 3.64Å; V71-L73 PolarHBondContact O-N 3.43Å; V71-L73 VanDerWaalsContact O-N 3.17Å; L73-Q75 VanDerWaalsContact C-N 3.33Å; L73-Q75 HydrophobicContact CB-CG 4.47Å; L73-Q75 PolarHBondContact O-N 3.06Å; L73-W77 HydrophobicContact CB-CZ2 4.16Å; L73-W77 HydrophobicContact CD1-CZ2 4.48Å; L73-W77 PolarHBondContact O-NE1 3.15Å
74	Q	81.7	Confident	91.2	Very high	203 Å²	203	64 Å²	64	95%	0.949	32%	0.318	S	S	*	.			trans	-80.6	79.9	175.2	-66	-71.1	7.6	0	0	109.8
75	Q	85.6	Confident	91.1	Very high	77 Å²	77	64.7 Å²	64.7	36%	0.36	32%	0.324	S	S	.	.	S	Bend	trans	-142.7	166.4	172.9	68.1	172.1	16.5	0	0	111	D45 L73 W77	D45-Q75 PolarHBondContact OD2-NE2 2.98Å; D45-Q75 VanDerWaalsContact OD2-NE2 3.09Å; L73-Q75 VanDerWaalsContact C-N 3.33Å; L73-Q75 HydrophobicContact CB-CG 4.47Å; L73-Q75 PolarHBondContact O-N 3.06Å; Q75-W77 HydrophobicContact CG-CD2 4.21Å; Q75-W77 HydrophobicContact CG-CZ2 3.8Å; Q75-W77 PolarHBondContact O-N 2.88Å; Q75-W77 PolarHBondContact O-NE1 3.04Å
76	S	85.2	Confident	91	Very high	77 Å²	77	60.5 Å²	60.5	54%	0.538	31%	0.306	S	S	.	.			trans	-74.5	126	171.8	-174.4	0	0	0	0	110.6	S78	S76-S78 PolarHBondContact OG-N 2.89Å; S76-S78 PolarHBondContact OG-OG 3.04Å; S76-S78 VanDerWaalsContact OG-OG 3.06Å
77	W	89.1	Confident	90.7	Very high	26 Å²	26	62.1 Å²	62.1	10%	0.098	31%	0.309	C	S	.	.			trans	-106.8	11.2	174.7	-61.5	96	0	0	0	112.5	V43 V68 V71 L73 Q75 D79 H80 F111	V43-W77 HydrophobicContact CG1-CH2 4Å; V43-W77 HydrophobicContact CG1-CZ3 4Å; V68-W77 HydrophobicContact CB-CG 4.5Å; V68-W77 VanDerWaalsContact CG1-CD1 3.47Å; V68-W77 HydrophobicContact CG1-CG 4.17Å; V68-W77 HydrophobicContact CG2-CB 3.81Å; V68-W77 HydrophobicContact CG2-CD2 3.89Å; V68-W77 HydrophobicContact CG2-CG 3.51Å; V71-W77 HydrophobicContact CB-CZ2 4.34Å; V71-W77 HydrophobicContact CG1-CH2 3.94Å; V71-W77 HydrophobicContact CG1-CZ2 3.63Å; L73-W77 HydrophobicContact CB-CZ2 4.16Å; L73-W77 HydrophobicContact CD1-CZ2 4.48Å; L73-W77 PolarHBondContact O-NE1 3.15Å; Q75-W77 HydrophobicContact CG-CD2 4.21Å; Q75-W77 HydrophobicContact CG-CZ2 3.8Å; Q75-W77 PolarHBondContact O-N 2.88Å; Q75-W77 PolarHBondContact O-NE1 3.04Å; W77-D79 PolarHBondContact O-N 3.13Å; W77-H80 WeakPolarHBondContact CA-ND1 3.35Å; W77-H80 AromaticContact CE3-CD2 3.64Å; W77-H80 AromaticContact CE3-CE1 3.59Å; W77-H80 AromaticContact CE3-CG 3.74Å; W77-H80 AromaticContact CE3-ND1 3.72Å; W77-H80 AromaticContact CE3-NE2 3.54Å; W77-H80 AromaticContact CZ3-CD2 3.82Å; W77-H80 AromaticContact CZ3-NE2 3.61Å; W77-H80 PolarHBondContact O-N 2.92Å; W77-H80 VanDerWaalsContact O-N 3.16Å; W77-F111 HydrophobicContact CD2-CE1 4.12Å; W77-F111 HydrophobicContact CE3-CD1 4.06Å; W77-F111 AromaticContact CE3-CE1 3.4Å; W77-F111 HydrophobicContact CE3-CE1 3.4Å; W77-F111 HydrophobicContact CE3-CZ 4.26Å; W77-F111 HydrophobicContact CZ3-CD1 4.04Å; W77-F111 AromaticContact CZ3-CE1 3.84Å; W77-F111 HydrophobicContact CZ3-CE1 3.84Å
78	S	87.9	Confident	90.6	Very high	69 Å²	69	63.3 Å²	63.3	48%	0.483	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-17.9	-174.8	64.5	0	0	0	0	114	S76	S76-S78 PolarHBondContact OG-N 2.89Å; S76-S78 PolarHBondContact OG-OG 3.04Å; S76-S78 VanDerWaalsContact OG-OG 3.06Å
79	D	90.5	Very high	90.6	Very high	37 Å²	37	62.5 Å²	62.5	20%	0.198	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94	5.6	176.7	-169.8	36.6	0	0	0	112.7	W77 R113 M114 H115	W77-D79 PolarHBondContact O-N 3.13Å; D79-R113 CarbonylContact O-C 3.45Å; D79-M114 PolarHBondContact O-N 3.11Å; D79-H115 IonicContact OD1-CE1 2.75Å; D79-H115 IonicContact OD1-CG 3.29Å; D79-H115 PolarHBondContact OD1-N 2.97Å; D79-H115 IonicContact OD1-ND1 3.94Å; D79-H115 PolarHBondContact OD1-ND1 3.45Å; D79-H115 WeakPolarHBondContact OD2-CB 3.47Å; D79-H115 PolarHBondContact OD2-N 3.39Å; D79-H115 IonicContact OD2-ND1 3Å
80	H	93.1	Very high	90.7	Very high	6 Å²	6	56.3 Å²	56.3	3%	0.028	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	143.9	-177.6	-62.7	70.6	0	0	0	111.1	D45 M64 W77 F111 H112 R113	D45-H80 IonicContact OD1-NE2 2.77Å; D45-H80 PolarHBondContact OD1-NE2 2.83Å; D45-H80 IonicContact OD2-CE1 3.48Å; D45-H80 IonicContact OD2-NE2 3.29Å; D45-H80 PolarHBondContact OD2-NE2 2.78Å; M64-H80 WeakPolarHBondContact CE-O 3.43Å; W77-H80 WeakPolarHBondContact CA-ND1 3.35Å; W77-H80 AromaticContact CE3-CD2 3.64Å; W77-H80 AromaticContact CE3-CE1 3.59Å; W77-H80 AromaticContact CE3-CG 3.74Å; W77-H80 AromaticContact CE3-ND1 3.72Å; W77-H80 AromaticContact CE3-NE2 3.54Å; W77-H80 AromaticContact CZ3-CD2 3.82Å; W77-H80 AromaticContact CZ3-NE2 3.61Å; W77-H80 PolarHBondContact O-N 2.92Å; W77-H80 VanDerWaalsContact O-N 3.16Å; H80-F111 HydrophobicContact CB-CD1 4.36Å; H80-F111 HydrophobicContact CB-CD2 4.06Å; H80-F111 HydrophobicContact CB-CE1 3.83Å; H80-F111 HydrophobicContact CB-CE2 3.47Å; H80-F111 VanDerWaalsContact CB-CE2 3.47Å; H80-F111 HydrophobicContact CB-CG 4.47Å; H80-F111 HydrophobicContact CB-CZ 3.34Å; H80-H112 CarbonylContact C-O 3.59Å; H80-H112 VanDerWaalsContact CA-O 3.3Å; H80-H112 WeakPolarHBondContact CA-O 3.24Å; H80-R113 WeakPolarHBondContact NE2-CG 3.47Å
81	A	94.7	Very high	90.8	Very high	5 Å²	5	50 Å²	50	4%	0.041	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	167.4	172.4	0	0	0	0	0	110	W90 L92 H112 M114	A81-W90 HydrophobicContact CB-CE3 3.82Å; A81-W90 HydrophobicContact CB-CZ3 3.85Å; A81-L92 HydrophobicContact CB-CD2 3.94Å; A81-H112 PolarHBondContact N-O 2.89Å; A81-H112 PolarHBondContact O-N 2.98Å; A81-M114 HydrophobicContact CB-CG 3.61Å; A81-M114 HydrophobicContact CB-SD 3.71Å
82	I	95.6	Very high	90.9	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	124.8	-179.2	-62.9	170.9	0	0	0	108.9	L60 L63 M64 I67 L91 L109 V110 F111	L60-I82 HydrophobicContact CD1-CB 4.32Å; L60-I82 HydrophobicContact CD1-CD1 3.59Å; L60-I82 HydrophobicContact CD1-CG1 4.46Å; L60-I82 HydrophobicContact CG-CD1 4.23Å; L63-I82 HydrophobicContact CD2-CD1 3.71Å; L63-I82 HydrophobicContact CG-CD1 3.93Å; M64-I82 HydrophobicContact CG-CD1 3.63Å; M64-I82 HydrophobicContact CG-CG1 4.08Å; I67-I82 HydrophobicContact CD1-CD1 4.31Å; I82-L91 HydrophobicContact CB-CB 4.29Å; I82-L91 HydrophobicContact CB-CD1 4.33Å; I82-L91 HydrophobicContact CG2-CD1 3.8Å; I82-L91 HydrophobicContact CG2-CG 4.4Å; I82-L91 WeakPolarHBondContact O-CB 3.47Å; I82-L91 PolarHBondContact O-N 2.91Å; I82-L109 HydrophobicContact CG2-CB 4.04Å; I82-L109 HydrophobicContact CG2-CD1 4.15Å; I82-L109 HydrophobicContact CG2-CD2 4.14Å; I82-L109 HydrophobicContact CG2-CG 4.34Å; I82-V110 WeakPolarHBondContact CA-O 3.47Å; I82-F111 HydrophobicContact CG1-CD2 3.88Å; I82-F111 HydrophobicContact CG1-CE2 4.42Å
83	W	95.9	Very high	91.1	Very high	19 Å²	19	43.8 Å²	43.8	7%	0.072	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	126	173.3	173.9	-104.9	0	0	0	110.1	N88 V89 W90 L109 V110 L292 E293	W83-N88 HydrophobicContact CH2-CB 4.31Å; W83-N88 WeakPolarHBondContact CH2-O 3.16Å; W83-N88 VanDerWaalsContact CZ2-CA 3.48Å; W83-N88 HydrophobicContact CZ2-CB 4.09Å; W83-N88 VanDerWaalsContact CZ2-OD1 3.28Å; W83-N88 WeakPolarHBondContact CZ2-OD1 3.3Å; W83-V89 VanDerWaalsContact CE3-O 3.24Å; W83-W90 HydrophobicContact CB-CE3 4.4Å; W83-W90 HydrophobicContact CB-CZ3 4.41Å; W83-W90 HydrophobicContact CE3-CB 4.43Å; W83-W90 AromaticContact CE3-CD1 3.73Å; W83-W90 AromaticContact CE3-CD2 3.71Å; W83-W90 HydrophobicContact CE3-CD2 3.71Å; W83-W90 AromaticContact CE3-CE2 3.78Å; W83-W90 HydrophobicContact CE3-CE3 4.37Å; W83-W90 AromaticContact CE3-CG 3.71Å; W83-W90 HydrophobicContact CE3-CG 3.71Å; W83-W90 HydrophobicContact CE3-CZ2 4.49Å; W83-W90 AromaticContact CE3-NE1 3.74Å; W83-W90 AromaticContact CZ3-CD1 3.48Å; W83-W90 VanDerWaalsContact CZ3-CD1 3.48Å; W83-W90 HydrophobicContact CZ3-CD2 4.28Å; W83-W90 AromaticContact CZ3-CG 3.9Å; W83-W90 HydrophobicContact CZ3-CG 3.9Å; W83-W90 AromaticContact CZ3-NE1 3.61Å; W83-L109 WeakPolarHBondContact O-CA 3.37Å; W83-V110 HydrophobicContact CB-CB 4.36Å; W83-V110 PolarHBondContact N-O 3.48Å; W83-V110 PolarHBondContact O-N 3.33Å; W83-L292 HydrophobicContact CB-CD2 4.49Å; W83-L292 HydrophobicContact CD2-CD2 3.54Å; W83-L292 HydrophobicContact CD2-CG 4.19Å; W83-L292 HydrophobicContact CE3-CD2 3.69Å; W83-L292 HydrophobicContact CE3-CG 4.24Å; W83-L292 HydrophobicContact CG-CD2 3.91Å; W83-L292 HydrophobicContact CH2-CB 4.41Å; W83-L292 HydrophobicContact CH2-CD2 4.39Å; W83-L292 HydrophobicContact CH2-CG 4.06Å; W83-L292 HydrophobicContact CZ2-CD2 4.26Å; W83-L292 HydrophobicContact CZ2-CG 3.98Å; W83-L292 HydrophobicContact CZ3-CB 4.36Å; W83-L292 HydrophobicContact CZ3-CD2 4.13Å; W83-L292 HydrophobicContact CZ3-CG 4.19Å; W83-E293 HydrophobicContact CH2-CB 4.38Å; W83-E293 HydrophobicContact CH2-CG 3.71Å; W83-E293 HydrophobicContact CZ3-CG 3.82Å
84	W	95.5	Very high	91.3	Very high	13 Å²	13	43.3 Å²	43.3	5%	0.049	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	107.3	175.6	-170.2	2.5	0	0	0	110.7	D86 R87 N88 V89 L91 Y101 G102 I103 A107 L109 Y221	W84-D86 PolarHBondContact NE1-OD2 2.89Å; W84-D86 PolarHBondContact O-N 2.77Å; W84-R87 HydrophobicContact CD2-CB 4.01Å; W84-R87 HydrophobicContact CD2-CG 3.82Å; W84-R87 HydrophobicContact CE3-CB 4.15Å; W84-R87 HydrophobicContact CE3-CG 3.9Å; W84-R87 HydrophobicContact CG-CB 4.22Å; W84-R87 HydrophobicContact CG-CG 4.45Å; W84-R87 HydrophobicContact CH2-CG 4.23Å; W84-R87 HydrophobicContact CZ2-CG 4.1Å; W84-R87 HydrophobicContact CZ3-CG 4.13Å; W84-R87 VanDerWaalsContact CZ3-NE 3.3Å; W84-R87 PolarHBondContact O-N 3.47Å; W84-N88 WeakPolarHBondContact O-CA 3.46Å; W84-N88 PolarHBondContact O-N 3.26Å; W84-V89 HydrophobicContact CB-CG2 4.25Å; W84-V89 PolarHBondContact N-O 3.06Å; W84-V89 PolarHBondContact O-N 3.03Å; W84-L91 HydrophobicContact CB-CD1 4.47Å; W84-L91 HydrophobicContact CB-CD2 4.4Å; W84-L91 HydrophobicContact CB-CG 4.4Å; W84-L91 HydrophobicContact CE3-CD2 4.18Å; W84-Y101 WeakPolarHBondContact CZ3-O 3.26Å; W84-G102 WeakPolarHBondContact CH2-O 3.49Å; W84-I103 HydrophobicContact CE3-CG1 4.31Å; W84-I103 HydrophobicContact CH2-CG1 4.03Å; W84-I103 HydrophobicContact CZ3-CG1 3.89Å; W84-A107 HydrophobicContact CZ2-CB 4.34Å; W84-L109 HydrophobicContact CB-CD2 3.83Å; W84-L109 HydrophobicContact CD2-CD2 4.36Å; W84-L109 HydrophobicContact CG-CD2 3.73Å; W84-Y221 HydrophobicContact CE3-CE1 4.15Å; W84-Y221 AromaticContact CZ3-CE1 3.89Å; W84-Y221 HydrophobicContact CZ3-CE1 3.89Å
85	V	93.4	Very high	91.8	Very high	56 Å²	56	44.3 Å²	44.3	34%	0.339	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-41.8	-173.6	-180	0	0	0	0	112.2	R87 N88 R108 V110	V85-R87 VanDerWaalsContact C-N 3.32Å; V85-R87 PolarHBondContact O-N 3.29Å; V85-N88 PolarHBondContact O-N 3.32Å; V85-R108 HydrophobicContact CB-CB 4.03Å; V85-R108 WeakPolarHBondContact CB-O 3.18Å; V85-R108 HydrophobicContact CG2-CB 4.44Å; V85-R108 WeakPolarHBondContact CG2-O 3.49Å; V85-R108 PolarHBondContact N-O 2.89Å; V85-V110 HydrophobicContact CG2-CG2 3.67Å
86	D	91.3	Very high	92.1	Very high	44 Å²	44	41.4 Å²	41.4	24%	0.235	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-35.3	-175.2	-55.9	-53.7	0	0	0	113	W84 R108	W84-D86 PolarHBondContact NE1-OD2 2.89Å; W84-D86 PolarHBondContact O-N 2.77Å; D86-R108 IonicContact OD1-CZ 3.77Å; D86-R108 IonicContact OD1-NE 2.95Å; D86-R108 PolarHBondContact OD1-NE 3.33Å; D86-R108 IonicContact OD1-NH2 3.21Å; D86-R108 PolarHBondContact OD1-NH2 3.02Å; D86-R108 PolarHBondContact OD2-N 3.07Å; D86-R108 IonicContact OD2-NE 3.78Å
87	R	89.9	Confident	92.7	Very high	88 Å²	88	39.1 Å²	39.1	33%	0.332	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96	-11.5	178.8	-67	-160.6	-174.8	-127.3	5	113.2	W84 V85 V89 Y221	W84-R87 HydrophobicContact CD2-CB 4.01Å; W84-R87 HydrophobicContact CD2-CG 3.82Å; W84-R87 HydrophobicContact CE3-CB 4.15Å; W84-R87 HydrophobicContact CE3-CG 3.9Å; W84-R87 HydrophobicContact CG-CB 4.22Å; W84-R87 HydrophobicContact CG-CG 4.45Å; W84-R87 HydrophobicContact CH2-CG 4.23Å; W84-R87 HydrophobicContact CZ2-CG 4.1Å; W84-R87 HydrophobicContact CZ3-CG 4.13Å; W84-R87 VanDerWaalsContact CZ3-NE 3.3Å; W84-R87 PolarHBondContact O-N 3.47Å; V85-R87 VanDerWaalsContact C-N 3.32Å; V85-R87 PolarHBondContact O-N 3.29Å; R87-V89 HydrophobicContact CB-CG2 3.76Å; R87-Y221 PolarHBondContact NE-OH 2.94Å; R87-Y221 PolarHBondContact NH1-OH 3.39Å; R87-Y221 PolarHBondContact NH2-OH 2.63Å
88	N	92.6	Very high	93	Very high	24 Å²	24	37.9 Å²	37.9	13%	0.128	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.8	54.9	-177.3	-177.7	84.5	0	0	0	111.1	W83 W84 V85 R183 E293	W83-N88 HydrophobicContact CH2-CB 4.31Å; W83-N88 WeakPolarHBondContact CH2-O 3.16Å; W83-N88 VanDerWaalsContact CZ2-CA 3.48Å; W83-N88 HydrophobicContact CZ2-CB 4.09Å; W83-N88 VanDerWaalsContact CZ2-OD1 3.28Å; W83-N88 WeakPolarHBondContact CZ2-OD1 3.3Å; W84-N88 WeakPolarHBondContact O-CA 3.46Å; W84-N88 PolarHBondContact O-N 3.26Å; V85-N88 PolarHBondContact O-N 3.32Å; N88-R183 PolarHBondContact ND2-NH2 3.5Å; N88-R183 PolarHBondContact OD1-NH2 3.14Å; N88-R183 VanDerWaalsContact OD1-NH2 3.15Å; N88-E293 WeakPolarHBondContact ND2-CA 3.44Å; N88-E293 PolarHBondContact ND2-O 3.08Å
89	V	92.6	Very high	93.3	Very high	21 Å²	21	39.6 Å²	39.6	13%	0.127	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	151	-179.1	-65.4	0	0	0	0	111.6	W83 W84 R87 L91 Y221	W83-V89 VanDerWaalsContact CE3-O 3.24Å; W84-V89 HydrophobicContact CB-CG2 4.25Å; W84-V89 PolarHBondContact N-O 3.06Å; W84-V89 PolarHBondContact O-N 3.03Å; R87-V89 HydrophobicContact CB-CG2 3.76Å; V89-L91 HydrophobicContact CG2-CD2 4.31Å; V89-Y221 HydrophobicContact CG2-CD1 3.98Å; V89-Y221 HydrophobicContact CG2-CE1 4.46Å
90	W	94.5	Very high	93.4	Very high	7 Å²	7	43.4 Å²	43.4	3%	0.027	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	137.6	168.4	-69.8	97.2	0	0	0	111.1	A81 W83 L92 H112 M114 Y134 A135 S290 L292	A81-W90 HydrophobicContact CB-CE3 3.82Å; A81-W90 HydrophobicContact CB-CZ3 3.85Å; W83-W90 HydrophobicContact CB-CE3 4.4Å; W83-W90 HydrophobicContact CB-CZ3 4.41Å; W83-W90 HydrophobicContact CE3-CB 4.43Å; W83-W90 AromaticContact CE3-CD1 3.73Å; W83-W90 AromaticContact CE3-CD2 3.71Å; W83-W90 HydrophobicContact CE3-CD2 3.71Å; W83-W90 AromaticContact CE3-CE2 3.78Å; W83-W90 HydrophobicContact CE3-CE3 4.37Å; W83-W90 AromaticContact CE3-CG 3.71Å; W83-W90 HydrophobicContact CE3-CG 3.71Å; W83-W90 HydrophobicContact CE3-CZ2 4.49Å; W83-W90 AromaticContact CE3-NE1 3.74Å; W83-W90 AromaticContact CZ3-CD1 3.48Å; W83-W90 VanDerWaalsContact CZ3-CD1 3.48Å; W83-W90 HydrophobicContact CZ3-CD2 4.28Å; W83-W90 AromaticContact CZ3-CG 3.9Å; W83-W90 HydrophobicContact CZ3-CG 3.9Å; W83-W90 AromaticContact CZ3-NE1 3.61Å; W90-L92 HydrophobicContact CB-CD1 4.11Å; W90-L92 HydrophobicContact CB-CD2 3.99Å; W90-L92 HydrophobicContact CB-CG 3.8Å; W90-H112 HydrophobicContact CH2-CB 3.92Å; W90-H112 AromaticContact CH2-CG 3.94Å; W90-H112 AromaticContact CH2-ND1 3.98Å; W90-H112 HydrophobicContact CZ3-CB 3.99Å; W90-M114 HydrophobicContact CZ3-CG 4.29Å; W90-Y134 PolarHBondContact NE1-O 3.26Å; W90-A135 HydrophobicContact CD2-CB 3.63Å; W90-A135 HydrophobicContact CE3-CB 4.05Å; W90-A135 HydrophobicContact CG-CB 3.87Å; W90-A135 HydrophobicContact CZ2-CB 4.15Å; W90-A135 HydrophobicContact CZ3-CB 4.47Å; W90-S290 PolarHBondContact NE1-OG 3.4Å; W90-L292 HydrophobicContact CH2-CD2 4.02Å; W90-L292 HydrophobicContact CZ2-CB 4.03Å; W90-L292 HydrophobicContact CZ2-CD2 3.4Å; W90-L292 VanDerWaalsContact CZ2-CD2 3.4Å; W90-L292 HydrophobicContact CZ2-CG 4.37Å
91	L	94.1	Very high	93.4	Very high	2 Å²	2	43.3 Å²	43.3	1%	0.01	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	104.5	170.3	-50.6	-176.6	0	0	0	107.8	L60 I82 W84 V89 Y101 I103 L109	L60-L91 HydrophobicContact CD1-CB 3.89Å; L60-L91 HydrophobicContact CD1-CD1 3.87Å; L60-L91 HydrophobicContact CD2-CB 3.62Å; L60-L91 WeakPolarHBondContact CD2-O 3.44Å; L60-L91 HydrophobicContact CG-CB 4.42Å; I82-L91 HydrophobicContact CB-CB 4.29Å; I82-L91 HydrophobicContact CB-CD1 4.33Å; I82-L91 HydrophobicContact CG2-CD1 3.8Å; I82-L91 HydrophobicContact CG2-CG 4.4Å; I82-L91 WeakPolarHBondContact O-CB 3.47Å; I82-L91 PolarHBondContact O-N 2.91Å; W84-L91 HydrophobicContact CB-CD1 4.47Å; W84-L91 HydrophobicContact CB-CD2 4.4Å; W84-L91 HydrophobicContact CB-CG 4.4Å; W84-L91 HydrophobicContact CE3-CD2 4.18Å; V89-L91 HydrophobicContact CG2-CD2 4.31Å; L91-Y101 HydrophobicContact CB-CE2 4.49Å; L91-Y101 HydrophobicContact CD2-CD1 3.75Å; L91-Y101 HydrophobicContact CD2-CE1 3.66Å; L91-Y101 HydrophobicContact CD2-CG 4.32Å; L91-I103 HydrophobicContact CD1-CD1 3.57Å; L91-L109 HydrophobicContact CD1-CD2 4.32Å
92	L	91.6	Very high	93.3	Very high	32 Å²	32	44.7 Å²	44.7	17%	0.168	23%	0.225	C	C	.	.			trans	-115.6	-12.7	-171.3	-59.9	177.1	0	0	0	113.5	A81 W90 S94 M114 A135 L224	A81-L92 HydrophobicContact CB-CD2 3.94Å; W90-L92 HydrophobicContact CB-CD1 4.11Å; W90-L92 HydrophobicContact CB-CD2 3.99Å; W90-L92 HydrophobicContact CB-CG 3.8Å; L92-S94 PolarHBondContact O-N 3.11Å; L92-M114 HydrophobicContact CD2-SD 4.18Å; L92-A135 HydrophobicContact CD1-CB 4.45Å; L92-A135 HydrophobicContact CD2-CB 4.13Å; L92-L224 HydrophobicContact CB-CD1 3.77Å; L92-L224 HydrophobicContact CB-CG 3.92Å; L92-L224 HydrophobicContact CD1-CD1 4.41Å; L92-L224 HydrophobicContact CD1-CG 4.45Å
93	Q	90.8	Very high	93.2	Very high	36 Å²	36	44.8 Å²	44.8	17%	0.168	23%	0.226	C	C	.	.			trans	-89.2	92	-178.6	-53.8	176.3	-2.8	0	0	109.3	R95 T96 Y101 P220	Q93-R95 PolarHBondContact O-N 3.41Å; Q93-R95 VanDerWaalsContact O-N 3.08Å; Q93-T96 WeakPolarHBondContact CB-OG1 3.43Å; Q93-T96 WeakPolarHBondContact O-CB 3.11Å; Q93-T96 PolarHBondContact O-N 2.82Å; Q93-T96 PolarHBondContact OE1-OG1 3.32Å; Q93-Y101 VanDerWaalsContact CB-OH 3.23Å; Q93-Y101 WeakPolarHBondContact CB-OH 3.26Å; Q93-Y101 PolarHBondContact N-OH 3.18Å; Q93-P220 PolarHBondContact NE2-O 3.06Å
94	S	90.5	Very high	93	Very high	67 Å²	67	50.1 Å²	50.1	47%	0.469	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-22.9	-175.3	58.7	0	0	0	0	114.8	L60 G61 L92	L60-S94 PolarHBondContact N-O 2.99Å; G61-S94 PolarHBondContact N-O 3.41Å; L92-S94 PolarHBondContact O-N 3.11Å
95	R	92.2	Very high	92.7	Very high	224 Å²	224	53.1 Å²	53.1	85%	0.845	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-11.5	179.1	-61.3	-172.9	-177.6	-167.2	0.7	113.8	Q93	Q93-R95 PolarHBondContact O-N 3.41Å; Q93-R95 VanDerWaalsContact O-N 3.08Å
96	T	93.6	Very high	92.7	Very high	17 Å²	17	55.6 Å²	55.6	10%	0.104	29%	0.286	C	S	.	.	S	Bend	trans	-79.2	131.7	-179.9	-58.9	0	0	0	0	109.1	L60 Q93 Q100 Y101 P220	L60-T96 PolarHBondContact N-O 3.13Å; Q93-T96 WeakPolarHBondContact CB-OG1 3.43Å; Q93-T96 WeakPolarHBondContact O-CB 3.11Å; Q93-T96 PolarHBondContact O-N 2.82Å; Q93-T96 PolarHBondContact OE1-OG1 3.32Å; T96-Q100 VanDerWaalsContact CA-OE1 3.3Å; T96-Q100 HydrophobicContact CG2-CB 3.51Å; T96-Y101 VanDerWaalsContact CB-CE2 3.49Å; T96-Y101 HydrophobicContact CG2-CD1 4.46Å; T96-Y101 HydrophobicContact CG2-CD2 3.6Å; T96-Y101 HydrophobicContact CG2-CE1 4.39Å; T96-Y101 HydrophobicContact CG2-CE2 3.53Å; T96-Y101 HydrophobicContact CG2-CG 4.09Å; T96-P220 HydrophobicContact CG2-CB 4.24Å
97	T	96.6	Very high	92.8	Very high	28 Å²	28	53.8 Å²	53.8	17%	0.172	28%	0.277	C	S	.	.	B	Isolated β-bridge	trans	-76.1	161.1	-176.9	71.9	0	0	0	0	112.1	G56 D57 L58 D99 Q100 Y101	G56-T97 WeakPolarHBondContact O-CB 3.34Å; D57-T97 VanDerWaalsContact O-CG2 3.27Å; D57-T97 WeakPolarHBondContact O-CG2 3.05Å; L58-T97 WeakPolarHBondContact O-CA 3.46Å; T97-D99 PolarHBondContact O-N 3.1Å; T97-Q100 PolarHBondContact O-N 3.38Å; T97-Q100 VanDerWaalsContact OG1-CG 3.28Å; T97-Q100 WeakPolarHBondContact OG1-CG 3.49Å; T97-Q100 PolarHBondContact OG1-N 2.83Å; T97-Y101 WeakPolarHBondContact O-CD2 3.33Å; T97-Y101 PolarHBondContact O-N 3.33Å
98	L	95.4	Very high	93.1	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-57.9	-39.5	175.5	-61	-174.7	0	0	0	111.6	W37 L39 V54 G56 L58 L63 Y101 G102 I103	W37-L98 HydrophobicContact CH2-CD1 4.23Å; W37-L98 HydrophobicContact CZ2-CD1 4.29Å; L39-L98 HydrophobicContact CD2-CD1 4.34Å; V54-L98 HydrophobicContact CB-CD1 3.95Å; V54-L98 HydrophobicContact CG1-CD1 4.46Å; V54-L98 HydrophobicContact CG2-CD1 3.82Å; G56-L98 PolarHBondContact O-N 2.98Å; L58-L98 HydrophobicContact CB-CD1 4.24Å; L58-L98 HydrophobicContact CB-CG 4.39Å; L58-L98 HydrophobicContact CD2-CD1 4.3Å; L58-L98 WeakPolarHBondContact O-CG 3.42Å; L58-L98 PolarHBondContact O-N 3.07Å; L63-L98 HydrophobicContact CD2-CD2 3.76Å; L98-Y101 CarbonylContact O-C 3.5Å; L98-Y101 PolarHBondContact O-N 3.18Å; L98-G102 PolarHBondContact O-N 3.25Å; L98-I103 HydrophobicContact CB-CB 4.26Å; L98-I103 HydrophobicContact CD2-CB 4.49Å; L98-I103 HydrophobicContact CD2-CD1 3.78Å; L98-I103 PolarHBondContact O-N 3.01Å
99	D	94	Very high	93.3	Very high	106 Å²	106	55.9 Å²	55.9	57%	0.567	28%	0.283	S	S	*	.	H	α-helix	trans	-65.1	-40.9	175.1	-82.3	-12	0	0	0	112.6	G56 T97 Y101 G102	G56-D99 VanDerWaalsContact C-CG 3.48Å; G56-D99 VanDerWaalsContact CA-OD1 3.24Å; G56-D99 WeakPolarHBondContact CA-OD1 3.32Å; G56-D99 WeakPolarHBondContact CA-OD2 3.46Å; G56-D99 WeakPolarHBondContact O-CB 3.46Å; G56-D99 PolarHBondContact O-N 3.21Å; T97-D99 PolarHBondContact O-N 3.1Å; D99-Y101 VanDerWaalsContact C-N 3.25Å; D99-Y101 PolarHBondContact O-N 3.37Å; D99-G102 WeakPolarHBondContact O-CA 3.39Å; D99-G102 PolarHBondContact O-N 3.34Å
100	Q	93.8	Very high	93.4	Very high	117 Å²	117	56 Å²	56	55%	0.547	28%	0.284	S	S	.	.	H	α-helix	trans	-64.2	-33.2	176.5	-74.2	171.8	-17.5	0	0	111.9	T96 T97 G102	T96-Q100 VanDerWaalsContact CA-OE1 3.3Å; T96-Q100 HydrophobicContact CG2-CB 3.51Å; T97-Q100 PolarHBondContact O-N 3.38Å; T97-Q100 VanDerWaalsContact OG1-CG 3.28Å; T97-Q100 WeakPolarHBondContact OG1-CG 3.49Å; T97-Q100 PolarHBondContact OG1-N 2.83Å; Q100-G102 VanDerWaalsContact C-N 3.32Å
101	Y	91.9	Very high	93.4	Very high	3 Å²	3	55.7 Å²	55.7	1%	0.012	28%	0.283	C	S	.	.	H	α-helix	trans	-76.7	-17.8	169.5	-82.1	-63.6	0	0	0	113.7	L60 W84 L91 Q93 T96 T97 L98 D99 I103 P220 Y221	L60-Y101 HydrophobicContact CB-CE2 4.22Å; L60-Y101 HydrophobicContact CD1-CE2 4.47Å; L60-Y101 HydrophobicContact CD2-CE2 4.06Å; L60-Y101 HydrophobicContact CG-CE2 4.5Å; W84-Y101 WeakPolarHBondContact CZ3-O 3.26Å; L91-Y101 HydrophobicContact CB-CE2 4.49Å; L91-Y101 HydrophobicContact CD2-CD1 3.75Å; L91-Y101 HydrophobicContact CD2-CE1 3.66Å; L91-Y101 HydrophobicContact CD2-CG 4.32Å; Q93-Y101 VanDerWaalsContact CB-OH 3.23Å; Q93-Y101 WeakPolarHBondContact CB-OH 3.26Å; Q93-Y101 PolarHBondContact N-OH 3.18Å; T96-Y101 VanDerWaalsContact CB-CE2 3.49Å; T96-Y101 HydrophobicContact CG2-CD1 4.46Å; T96-Y101 HydrophobicContact CG2-CD2 3.6Å; T96-Y101 HydrophobicContact CG2-CE1 4.39Å; T96-Y101 HydrophobicContact CG2-CE2 3.53Å; T96-Y101 HydrophobicContact CG2-CG 4.09Å; T97-Y101 WeakPolarHBondContact O-CD2 3.33Å; T97-Y101 PolarHBondContact O-N 3.33Å; L98-Y101 CarbonylContact O-C 3.5Å; L98-Y101 PolarHBondContact O-N 3.18Å; D99-Y101 VanDerWaalsContact C-N 3.25Å; D99-Y101 PolarHBondContact O-N 3.37Å; Y101-I103 HydrophobicContact CD2-CD1 4.4Å; Y101-I103 HydrophobicContact CG-CD1 4.25Å; Y101-P220 HydrophobicContact CD1-CB 3.97Å; Y101-P220 HydrophobicContact CE1-CB 4.06Å; Y101-P220 WeakPolarHBondContact CE1-O 3.24Å; Y101-Y221 HydrophobicContact CD1-CD1 4.31Å; Y101-Y221 HydrophobicContact CD1-CE1 4.08Å; Y101-Y221 PolarHBondContact O-OH 2.73Å
102	G	92.8	Very high	93.3	Very high	35 Å²	35	56.2 Å²	56.2	36%	0.361	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.7	33.6	-172.8	0	0	0	0	0	113.3	W84 L98 D99 Q100	W84-G102 WeakPolarHBondContact CH2-O 3.49Å; L98-G102 PolarHBondContact O-N 3.25Å; D99-G102 WeakPolarHBondContact O-CA 3.39Å; D99-G102 PolarHBondContact O-N 3.34Å; Q100-G102 VanDerWaalsContact C-N 3.32Å
103	I	94.2	Very high	93.3	Very high	2 Å²	2	58.1 Å²	58.1	1%	0.01	29%	0.29	C	S	.	.			trans	-82.1	129.6	178.5	-62.1	168.6	0	0	0	108.6	W37 L39 W84 L91 L98 Y101 A107 L109	W37-I103 HydrophobicContact CH2-CG2 4.05Å; W37-I103 WeakPolarHBondContact CZ2-O 3.49Å; L39-I103 HydrophobicContact CD1-CG2 4.4Å; L39-I103 HydrophobicContact CD2-CG2 4.42Å; W84-I103 HydrophobicContact CE3-CG1 4.31Å; W84-I103 HydrophobicContact CH2-CG1 4.03Å; W84-I103 HydrophobicContact CZ3-CG1 3.89Å; L91-I103 HydrophobicContact CD1-CD1 3.57Å; L98-I103 HydrophobicContact CB-CB 4.26Å; L98-I103 HydrophobicContact CD2-CB 4.49Å; L98-I103 HydrophobicContact CD2-CD1 3.78Å; L98-I103 PolarHBondContact O-N 3.01Å; Y101-I103 HydrophobicContact CD2-CD1 4.4Å; Y101-I103 HydrophobicContact CG-CD1 4.25Å; I103-A107 HydrophobicContact CG2-CB 3.7Å; I103-L109 HydrophobicContact CG2-CD1 4.12Å
104	Q	91.3	Very high	93.4	Very high	131 Å²	131	58.1 Å²	58.1	61%	0.612	29%	0.29	S	S	*	.			trans	-120.7	177.3	177.6	-64.2	-174.8	-30.6	0	0	110.1	W37 D106 A107	W37-Q104 VanDerWaalsContact CH2-C 3.45Å; W37-Q104 WeakPolarHBondContact CZ3-O 3.35Å; Q104-D106 WeakPolarHBondContact CB-OD1 3.49Å; Q104-D106 PolarHBondContact O-N 3.31Å; Q104-A107 VanDerWaalsContact O-CB 3.23Å; Q104-A107 WeakPolarHBondContact O-CB 3.31Å; Q104-A107 PolarHBondContact O-N 3.15Å; Q104-A107 VanDerWaalsContact O-N 3.08Å
105	S	90.1	Very high	93.6	Very high	75 Å²	75	58 Å²	58	52%	0.524	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-23.3	-176.6	55.3	0	0	0	0	114.8	W37	W37-S105 VanDerWaalsContact CZ3-N 3.34Å
106	D	92.6	Very high	93.6	Very high	109 Å²	109	48.1 Å²	48.1	58%	0.583	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.5	-4.6	178.1	70.8	-37.2	0	0	0	113.9	Q104 R108	Q104-D106 WeakPolarHBondContact CB-OD1 3.49Å; Q104-D106 PolarHBondContact O-N 3.31Å; D106-R108 PolarHBondContact O-N 3.36Å
107	A	93.9	Very high	93.6	Very high	6 Å²	6	50.6 Å²	50.6	5%	0.05	26%	0.259	C	S	.	.			trans	-63.9	126.3	-176.1	0	0	0	0	0	112	L39 W84 I103 Q104 L109	L39-A107 HydrophobicContact CD1-CB 4.46Å; W84-A107 HydrophobicContact CZ2-CB 4.34Å; I103-A107 HydrophobicContact CG2-CB 3.7Å; Q104-A107 VanDerWaalsContact O-CB 3.23Å; Q104-A107 WeakPolarHBondContact O-CB 3.31Å; Q104-A107 PolarHBondContact O-N 3.15Å; Q104-A107 VanDerWaalsContact O-N 3.08Å; A107-L109 HydrophobicContact CB-CD2 4.35Å; A107-L109 HydrophobicContact CB-CG 4.29Å; A107-L109 PolarHBondContact O-N 3.25Å
108	R	95	Very high	93.5	Very high	151 Å²	151	49.3 Å²	49.3	57%	0.57	25%	0.251	S	S	*	.			trans	-86.4	97.1	177.6	-64.5	-174.4	-62.7	171.6	0.7	110.6	V85 D86 D106	V85-R108 HydrophobicContact CB-CB 4.03Å; V85-R108 WeakPolarHBondContact CB-O 3.18Å; V85-R108 HydrophobicContact CG2-CB 4.44Å; V85-R108 WeakPolarHBondContact CG2-O 3.49Å; V85-R108 PolarHBondContact N-O 2.89Å; D86-R108 IonicContact OD1-CZ 3.77Å; D86-R108 IonicContact OD1-NE 2.95Å; D86-R108 PolarHBondContact OD1-NE 3.33Å; D86-R108 IonicContact OD1-NH2 3.21Å; D86-R108 PolarHBondContact OD1-NH2 3.02Å; D86-R108 PolarHBondContact OD2-N 3.07Å; D86-R108 IonicContact OD2-NE 3.78Å; D106-R108 PolarHBondContact O-N 3.36Å
109	L	96.8	Very high	93.5	Very high	4 Å²	4	50.6 Å²	50.6	2%	0.021	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	143.5	-178.9	-56.4	-176.5	0	0	0	111.7	L39 V41 R42 L63 I82 W83 W84 L91 I103 A107	L39-L109 HydrophobicContact CD1-CD1 4.02Å; L39-L109 HydrophobicContact CD2-CD1 3.84Å; L39-L109 HydrophobicContact CG-CD1 4.3Å; V41-L109 HydrophobicContact CB-CB 4.48Å; V41-L109 HydrophobicContact CG1-CB 4.01Å; V41-L109 HydrophobicContact CG2-CB 4.13Å; V41-L109 HydrophobicContact CG2-CD1 4.3Å; R42-L109 PolarHBondContact N-O 3.01Å; L63-L109 HydrophobicContact CD2-CD1 4.23Å; I82-L109 HydrophobicContact CG2-CB 4.04Å; I82-L109 HydrophobicContact CG2-CD1 4.15Å; I82-L109 HydrophobicContact CG2-CD2 4.14Å; I82-L109 HydrophobicContact CG2-CG 4.34Å; W83-L109 WeakPolarHBondContact O-CA 3.37Å; W84-L109 HydrophobicContact CB-CD2 3.83Å; W84-L109 HydrophobicContact CD2-CD2 4.36Å; W84-L109 HydrophobicContact CG-CD2 3.73Å; L91-L109 HydrophobicContact CD1-CD2 4.32Å; I103-L109 HydrophobicContact CG2-CD1 4.12Å; A107-L109 HydrophobicContact CB-CD2 4.35Å; A107-L109 HydrophobicContact CB-CG 4.29Å; A107-L109 PolarHBondContact O-N 3.25Å
110	V	95.6	Very high	93.6	Very high	23 Å²	23	45.6 Å²	45.6	14%	0.139	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	128.4	174.1	-175.5	0	0	0	0	108.9	R42 I82 W83 V85 H112	R42-V110 HydrophobicContact CB-CG2 4.27Å; R42-V110 CarbonylContact O-C 3.53Å; R42-V110 VanDerWaalsContact O-CA 3.24Å; R42-V110 WeakPolarHBondContact O-CA 3.47Å; I82-V110 WeakPolarHBondContact CA-O 3.47Å; W83-V110 HydrophobicContact CB-CB 4.36Å; W83-V110 PolarHBondContact N-O 3.48Å; W83-V110 PolarHBondContact O-N 3.33Å; V85-V110 HydrophobicContact CG2-CG2 3.67Å; V110-H112 HydrophobicContact CG1-CB 4.37Å
111	F	95.5	Very high	93.8	Very high	1 Å²	1	40 Å²	40	0%	0.004	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	106.1	171.8	-166.7	-135.7	0	0	0	108.8	V41 R42 V43 E44 M64 I67 V68 W77 H80 I82	V41-F111 HydrophobicContact CG1-CB 4.11Å; R42-F111 PolarHBondContact O-N 3.38Å; V43-F111 HydrophobicContact CG1-CD1 4.25Å; V43-F111 HydrophobicContact CG2-CB 4.33Å; E44-F111 WeakPolarHBondContact CB-O 3.5Å; E44-F111 PolarHBondContact N-O 2.97Å; E44-F111 VanDerWaalsContact N-O 3.09Å; M64-F111 HydrophobicContact CB-CE2 4.38Å; M64-F111 HydrophobicContact CE-CE2 3.92Å; M64-F111 HydrophobicContact CE-CZ 4.39Å; M64-F111 HydrophobicContact CG-CE2 4.02Å; I67-F111 HydrophobicContact CG2-CD1 3.83Å; I67-F111 HydrophobicContact CG2-CE1 4.26Å; I67-F111 HydrophobicContact CG2-CG 4.36Å; V68-F111 HydrophobicContact CG2-CE1 4.11Å; V68-F111 HydrophobicContact CG2-CZ 4.35Å; W77-F111 HydrophobicContact CD2-CE1 4.12Å; W77-F111 HydrophobicContact CE3-CD1 4.06Å; W77-F111 AromaticContact CE3-CE1 3.4Å; W77-F111 HydrophobicContact CE3-CE1 3.4Å; W77-F111 HydrophobicContact CE3-CZ 4.26Å; W77-F111 HydrophobicContact CZ3-CD1 4.04Å; W77-F111 AromaticContact CZ3-CE1 3.84Å; W77-F111 HydrophobicContact CZ3-CE1 3.84Å; H80-F111 HydrophobicContact CB-CD1 4.36Å; H80-F111 HydrophobicContact CB-CD2 4.06Å; H80-F111 HydrophobicContact CB-CE1 3.83Å; H80-F111 HydrophobicContact CB-CE2 3.47Å; H80-F111 VanDerWaalsContact CB-CE2 3.47Å; H80-F111 HydrophobicContact CB-CG 4.47Å; H80-F111 HydrophobicContact CB-CZ 3.34Å; I82-F111 HydrophobicContact CG1-CD2 3.88Å; I82-F111 HydrophobicContact CG1-CE2 4.42Å
112	H	90.8	Very high	94	Very high	14 Å²	14	39.9 Å²	39.9	7%	0.065	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	143.8	-161	-161.9	-52.2	0	0	0	110.4	E44 H80 A81 W90 V110 P298	E44-H112 IonicContact OE1-CD2 3.97Å; E44-H112 IonicContact OE1-CE1 3.11Å; E44-H112 PolarHBondContact OE1-CE1 3.09Å; E44-H112 VanDerWaalsContact OE1-CE1 3.27Å; E44-H112 IonicContact OE1-NE2 2.86Å; E44-H112 PolarHBondContact OE1-NE2 3.45Å; E44-H112 IonicContact OE2-CD2 2.85Å; E44-H112 PolarHBondContact OE2-CD2 2.92Å; E44-H112 IonicContact OE2-CE1 3.74Å; E44-H112 PolarHBondContact OE2-CE1 3.18Å; E44-H112 IonicContact OE2-CG 4Å; E44-H112 VanDerWaalsContact OE2-CG 3.27Å; E44-H112 IonicContact OE2-ND1 3.7Å; E44-H112 PolarHBondContact OE2-ND1 3.16Å; E44-H112 IonicContact OE2-NE2 3.82Å; E44-H112 PolarHBondContact OE2-NE2 3.37Å; H80-H112 CarbonylContact C-O 3.59Å; H80-H112 VanDerWaalsContact CA-O 3.3Å; H80-H112 WeakPolarHBondContact CA-O 3.24Å; A81-H112 PolarHBondContact N-O 2.89Å; A81-H112 PolarHBondContact O-N 2.98Å; W90-H112 HydrophobicContact CH2-CB 3.92Å; W90-H112 AromaticContact CH2-CG 3.94Å; W90-H112 AromaticContact CH2-ND1 3.98Å; W90-H112 HydrophobicContact CZ3-CB 3.99Å; V110-H112 HydrophobicContact CG1-CB 4.37Å; H112-P298 WeakPolarHBondContact CE1-CG 3.23Å
113	R	92.1	Very high	94.2	Very high	71 Å²	71	38.7 Å²	38.7	27%	0.268	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	135.5	169.4	-68.6	-177.9	-178.8	-157.9	-5.7	111.2	E44 D45 D79 H80 N116	E44-R113 PolarHBondContact OE2-N 3.37Å; D45-R113 IonicContact OD1-CZ 2.68Å; D45-R113 IonicContact OD1-NE 3.42Å; D45-R113 PolarHBondContact OD1-NE 2.86Å; D45-R113 IonicContact OD1-NH2 3.3Å; D45-R113 IonicContact OD2-CZ 2.99Å; D45-R113 IonicContact OD2-NE 2.67Å; D45-R113 PolarHBondContact OD2-NE 3.45Å; D45-R113 IonicContact OD2-NH2 3.99Å; D45-R113 PolarHBondContact OD2-NH2 2.8Å; D79-R113 CarbonylContact O-C 3.45Å; H80-R113 WeakPolarHBondContact NE2-CG 3.47Å; R113-N116 PolarHBondContact O-ND2 3.45Å
114	M	93.6	Very high	94.3	Very high	36 Å²	36	38.8 Å²	38.8	18%	0.177	19%	0.19	C	C	.	.	S	Bend	trans	-79.2	-39.8	177.2	-66.3	-173.6	-67.1	0	0	111.6	D79 A81 W90 L92 N133 Y134 A135	D79-M114 PolarHBondContact O-N 3.11Å; A81-M114 HydrophobicContact CB-CG 3.61Å; A81-M114 HydrophobicContact CB-SD 3.71Å; W90-M114 HydrophobicContact CZ3-CG 4.29Å; L92-M114 HydrophobicContact CD2-SD 4.18Å; M114-N133 CarbonylContact O-C 3.57Å; M114-Y134 WeakPolarHBondContact O-CB 3.4Å; M114-Y134 PolarHBondContact O-N 3.04Å; M114-A135 HydrophobicContact CB-CB 4.25Å; M114-A135 HydrophobicContact CG-CB 3.92Å; M114-A135 HydrophobicContact SD-CB 4.03Å
115	H	94.1	Very high	94.5	Very high	66 Å²	66	32.8 Å²	32.8	31%	0.306	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	134.1	177.6	-65.9	76.6	0	0	0	110.3	D79 R131 V132	D79-H115 IonicContact OD1-CE1 2.75Å; D79-H115 IonicContact OD1-CG 3.29Å; D79-H115 PolarHBondContact OD1-N 2.97Å; D79-H115 IonicContact OD1-ND1 3.94Å; D79-H115 PolarHBondContact OD1-ND1 3.45Å; D79-H115 WeakPolarHBondContact OD2-CB 3.47Å; D79-H115 PolarHBondContact OD2-N 3.39Å; D79-H115 IonicContact OD2-ND1 3Å; H115-R131 VanDerWaalsContact C-NE 3.32Å; H115-R131 HydrophobicContact CB-CG 3.97Å; H115-R131 PolarHBondContact O-NE 3.43Å; H115-R131 PolarHBondContact O-NH2 2.93Å; H115-V132 CarbonylContact C-O 3.55Å; H115-V132 VanDerWaalsContact CA-O 3.24Å; H115-V132 WeakPolarHBondContact CA-O 3.47Å
116	N	92.6	Very high	94.6	Very high	15 Å²	15	30 Å²	30	8%	0.08	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	162.2	174.7	-78.8	-65.3	0	0	0	111.6	R113 R131 V132 Y134 P298	R113-N116 PolarHBondContact O-ND2 3.45Å; N116-R131 VanDerWaalsContact CA-CZ 3.44Å; N116-V132 PolarHBondContact N-O 2.91Å; N116-V132 PolarHBondContact O-N 3.25Å; N116-Y134 HydrophobicContact CB-CD2 3.69Å; N116-Y134 HydrophobicContact CB-CE2 3.39Å; N116-P298 HydrophobicContact CB-CB 3.54Å; N116-P298 HydrophobicContact CB-CG 4.47Å; N116-P298 VanDerWaalsContact CG-CB 3.47Å
117	D	92.6	Very high	94.6	Very high	70 Å²	70	26.8 Å²	26.8	37%	0.374	13%	0.127	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	135.1	-176.4	-61.4	-7.2	0	0	0	110.7	V129 L130 R131 P311	D117-V129 HydrophobicContact CB-CG1 3.9Å; D117-L130 WeakPolarHBondContact CA-O 3.14Å; D117-R131 WeakPolarHBondContact OD1-CD 3.24Å; D117-R131 IonicContact OD1-CZ 2.73Å; D117-R131 IonicContact OD1-NE 2.96Å; D117-R131 IonicContact OD1-NH1 3Å; D117-R131 PolarHBondContact OD1-NH1 3.46Å; D117-R131 IonicContact OD2-NH1 3.23Å; D117-P311 HydrophobicContact CB-CB 4.24Å; D117-P311 WeakPolarHBondContact O-CB 3.44Å
118	V	94.5	Very high	94.5	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.006	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	135.3	174.9	177.7	0	0	0	0	108.6	I120 V129 L130 V132 Y134 L291 P312 L314	V118-I120 HydrophobicContact CB-CD1 4.3Å; V118-I120 HydrophobicContact CG1-CD1 3.55Å; V118-I120 HydrophobicContact CG1-CG1 4.32Å; V118-I120 PolarHBondContact O-N 3.06Å; V118-V129 WeakPolarHBondContact O-CA 3.45Å; V118-L130 PolarHBondContact N-O 2.99Å; V118-L130 PolarHBondContact O-N 3.18Å; V118-V132 HydrophobicContact CB-CG2 4.02Å; V118-V132 HydrophobicContact CG2-CG2 3.37Å; V118-Y134 HydrophobicContact CG2-CE2 3.58Å; V118-Y134 WeakPolarHBondContact CG2-OH 2.99Å; V118-L291 HydrophobicContact CG2-CD1 4.26Å; V118-P312 WeakPolarHBondContact CG1-O 3.33Å; V118-P312 HydrophobicContact CG2-CG 4.26Å; V118-L314 HydrophobicContact CG1-CB 4.38Å; V118-L314 HydrophobicContact CG1-CD1 3.98Å; V118-L314 HydrophobicContact CG1-CG 4.07Å
119	Q	95.7	Very high	94.4	Very high	26 Å²	26	23.6 Å²	23.6	12%	0.121	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	106.1	170	-176.8	177.3	-51.3	0	0	109.4	P127 V129 P311 P312 T313 L314	Q119-P127 HydrophobicContact CG-CB 4.15Å; Q119-V129 HydrophobicContact CB-CG2 4.39Å; Q119-P311 HydrophobicContact CB-CG 4.12Å; Q119-P312 PolarHBondContact N-O 2.7Å; Q119-T313 HydrophobicContact CG-CG2 4.48Å; Q119-T313 CarbonylContact O-C 3.39Å; Q119-T313 VanDerWaalsContact O-CA 3.29Å; Q119-T313 WeakPolarHBondContact O-CA 3.38Å; Q119-L314 PolarHBondContact O-N 3.34Å
120	I	96.5	Very high	94.2	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.005	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	120	174.4	-55.6	-60.4	0	0	0	109	V118 L122 P127 L128 L130 I145 L159 L314 L316	V118-I120 HydrophobicContact CB-CD1 4.3Å; V118-I120 HydrophobicContact CG1-CD1 3.55Å; V118-I120 HydrophobicContact CG1-CG1 4.32Å; V118-I120 PolarHBondContact O-N 3.06Å; I120-L122 HydrophobicContact CG2-CD2 4.09Å; I120-P127 CarbonylContact O-C 3.52Å; I120-P127 WeakPolarHBondContact O-CA 3.26Å; I120-L128 PolarHBondContact N-O 3.44Å; I120-L128 PolarHBondContact O-N 2.77Å; I120-L130 HydrophobicContact CG1-CD1 4.18Å; I120-I145 HydrophobicContact CD1-CD1 3.82Å; I120-I145 HydrophobicContact CG1-CD1 4.03Å; I120-L159 HydrophobicContact CD1-CD2 4.05Å; I120-L314 CarbonylContact C-O 3.32Å; I120-L314 WeakPolarHBondContact CA-O 3.42Å; I120-L314 HydrophobicContact CD1-CB 4.22Å; I120-L316 HydrophobicContact CG2-CB 3.84Å
121	V	96.8	Very high	94	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	114.6	168.2	-179.9	0	0	0	0	108.1	L125 W267 T313 L314 Y315 L316	V121-L125 HydrophobicContact CG1-CD2 4.12Å; V121-W267 HydrophobicContact CB-CZ3 4.43Å; V121-W267 HydrophobicContact CG1-CE3 4.06Å; V121-W267 HydrophobicContact CG1-CZ3 3.68Å; V121-W267 HydrophobicContact CG2-CZ3 3.82Å; V121-T313 HydrophobicContact CG2-CG2 3.68Å; V121-L314 PolarHBondContact N-O 2.97Å; V121-Y315 HydrophobicContact CB-CD1 3.76Å; V121-Y315 HydrophobicContact CB-CD2 4.24Å; V121-Y315 HydrophobicContact CB-CE1 3.8Å; V121-Y315 HydrophobicContact CB-CE2 4.24Å; V121-Y315 HydrophobicContact CB-CG 3.99Å; V121-Y315 HydrophobicContact CG1-CD1 3.64Å; V121-Y315 HydrophobicContact CG1-CE1 3.4Å; V121-Y315 VanDerWaalsContact CG1-CE1 3.4Å; V121-Y315 HydrophobicContact CG1-CG 4.38Å; V121-Y315 HydrophobicContact CG2-CD2 4.47Å; V121-Y315 HydrophobicContact CG2-CE1 4.31Å; V121-Y315 HydrophobicContact CG2-CE2 4.12Å; V121-Y315 WeakPolarHBondContact O-CA 3.4Å; V121-L316 PolarHBondContact O-N 3.28Å
122	L	96.8	Very high	94	Very high	1 Å²	1	29 Å²	29	1%	0.005	14%	0.143	C	C	.	.			trans	-70.5	164.5	178.3	-58.5	-177.6	0	0	0	111.4	I120 S124 L125 T126 L149 Y250 L316	I120-L122 HydrophobicContact CG2-CD2 4.09Å; L122-S124 PolarHBondContact O-N 3.09Å; L122-S124 VanDerWaalsContact O-N 3.11Å; L122-L125 WeakPolarHBondContact O-CA 3.46Å; L122-L125 PolarHBondContact O-N 3.02Å; L122-T126 PolarHBondContact N-O 2.96Å; L122-L149 HydrophobicContact CD1-CD2 4.39Å; L122-L149 HydrophobicContact CD2-CD1 3.49Å; L122-L149 VanDerWaalsContact CD2-CD1 3.49Å; L122-Y250 HydrophobicContact CD1-CD1 3.51Å; L122-Y250 HydrophobicContact CD1-CE1 4.18Å; L122-Y250 HydrophobicContact CD1-CG 3.94Å; L122-L316 HydrophobicContact CD2-CD2 4.03Å
123	P	97	Very high	94.2	Very high	9 Å²	9	30.1 Å²	30.1	6%	0.058	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-28.5	172.7	-30	37.3	0	0	0	114.8	L125 L316 F318 Q337 Q341 W344	P123-L125 PolarHBondContact O-N 3.43Å; P123-L316 VanDerWaalsContact CD-O 3.22Å; P123-L316 WeakPolarHBondContact CD-O 3.04Å; P123-L316 VanDerWaalsContact CG-O 3.29Å; P123-L316 WeakPolarHBondContact CG-O 3.35Å; P123-F318 HydrophobicContact CG-CD2 4.26Å; P123-F318 HydrophobicContact CG-CE2 4.16Å; P123-Q337 HydrophobicContact CB-CB 4.06Å; P123-Q337 WeakPolarHBondContact CB-O 3.07Å; P123-Q337 HydrophobicContact CG-CB 4Å; P123-Q341 HydrophobicContact CB-CB 4.14Å; P123-W344 VanDerWaalsContact O-CD1 3.26Å
124	S	95.5	Very high	94.3	Very high	4 Å²	4	26.7 Å²	26.7	3%	0.028	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-4.2	169.3	58	0	0	0	0	115.5	L122 T126 Q337	L122-S124 PolarHBondContact O-N 3.09Å; L122-S124 VanDerWaalsContact O-N 3.11Å; S124-T126 PolarHBondContact O-N 3.34Å; S124-T126 WeakPolarHBondContact OG-CB 3.36Å; S124-T126 PolarHBondContact OG-OG1 3.47Å; S124-T126 VanDerWaalsContact OG-OG1 3.1Å; S124-Q337 PolarHBondContact OG-OE1 2.98Å
125	L	96	Very high	94.4	Very high	5 Å²	5	25.1 Å²	25.1	3%	0.026	13%	0.13	C	C	.	.	S	Bend	trans	59.8	24.5	-169	-53.5	178.7	0	0	0	113.9	V121 L122 P123 R257 V262 W267 L268 Y315 W344	V121-L125 HydrophobicContact CG1-CD2 4.12Å; L122-L125 WeakPolarHBondContact O-CA 3.46Å; L122-L125 PolarHBondContact O-N 3.02Å; P123-L125 PolarHBondContact O-N 3.43Å; L125-R257 PolarHBondContact O-NE 2.87Å; L125-V262 HydrophobicContact CD1-CB 4.29Å; L125-V262 HydrophobicContact CD1-CG1 3.51Å; L125-V262 HydrophobicContact CD1-CG2 3.71Å; L125-W267 HydrophobicContact CB-CE3 4.36Å; L125-L268 HydrophobicContact CD1-CD1 3.75Å; L125-L268 HydrophobicContact CD1-CG 4.01Å; L125-L268 HydrophobicContact CD2-CD1 4.32Å; L125-L268 HydrophobicContact CD2-CD2 4.16Å; L125-L268 HydrophobicContact CD2-CG 4.13Å; L125-Y315 HydrophobicContact CD2-CE1 4Å; L125-W344 HydrophobicContact CD1-CD2 3.88Å; L125-W344 VanDerWaalsContact CD1-CE2 3.47Å; L125-W344 HydrophobicContact CD1-CE3 4.45Å; L125-W344 HydrophobicContact CD1-CG 4.3Å; L125-W344 HydrophobicContact CD1-CH2 4.36Å; L125-W344 HydrophobicContact CD1-CZ2 3.74Å; L125-W344 HydrophobicContact CG-CZ2 4.46Å
126	T	93.5	Very high	94.3	Very high	17 Å²	17	22.8 Å²	22.8	10%	0.104	12%	0.121	C	C	.	.			trans	-88.5	119.2	171	-54.1	0	0	0	0	108.7	L122 S124 Y250 L255	L122-T126 PolarHBondContact N-O 2.96Å; S124-T126 PolarHBondContact O-N 3.34Å; S124-T126 WeakPolarHBondContact OG-CB 3.36Å; S124-T126 PolarHBondContact OG-OG1 3.47Å; S124-T126 VanDerWaalsContact OG-OG1 3.1Å; T126-Y250 HydrophobicContact CG2-CD1 3.88Å; T126-Y250 HydrophobicContact CG2-CE1 3.79Å; T126-L255 HydrophobicContact CG2-CD1 4.15Å
127	P	92.6	Very high	94.4	Very high	41 Å²	41	23.5 Å²	23.5	27%	0.266	12%	0.123	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	141.3	173.8	31.3	-33.6	0	0	0	110.7	Q119 I120 W267	Q119-P127 HydrophobicContact CG-CB 4.15Å; I120-P127 CarbonylContact O-C 3.52Å; I120-P127 WeakPolarHBondContact O-CA 3.26Å; P127-W267 HydrophobicContact CB-CH2 4.41Å; P127-W267 HydrophobicContact CG-CH2 4.18Å
128	L	91	Very high	94.5	Very high	16 Å²	16	20.2 Å²	20.2	8%	0.084	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	123.2	177.3	171.6	55.4	0	0	0	108.3	I120 L130 L149 V245 Y250	I120-L128 PolarHBondContact N-O 3.44Å; I120-L128 PolarHBondContact O-N 2.77Å; L128-L130 HydrophobicContact CD1-CD2 4.12Å; L128-L130 HydrophobicContact CD2-CD1 4.11Å; L128-L130 HydrophobicContact CD2-CD2 3.9Å; L128-L130 HydrophobicContact CD2-CG 4.08Å; L128-L130 HydrophobicContact CG-CD1 4.37Å; L128-L130 HydrophobicContact CG-CD2 3.84Å; L128-L130 HydrophobicContact CG-CG 3.86Å; L128-L149 HydrophobicContact CD2-CD2 3.66Å; L128-V245 HydrophobicContact CD2-CG1 4.3Å; L128-Y250 HydrophobicContact CB-CE1 4.45Å; L128-Y250 WeakPolarHBondContact CD1-OH 3.33Å; L128-Y250 HydrophobicContact CD2-CE1 4.46Å; L128-Y250 HydrophobicContact CD2-CE2 4.46Å
129	V	92.3	Very high	94.6	Very high	74 Å²	74	20.7 Å²	20.7	45%	0.448	11%	0.107	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	123	174.7	-179.3	0	0	0	0	108.6	D117 V118 Q119 P311	D117-V129 HydrophobicContact CB-CG1 3.9Å; V118-V129 WeakPolarHBondContact O-CA 3.45Å; Q119-V129 HydrophobicContact CB-CG2 4.39Å; V129-P311 HydrophobicContact CG1-CG 4.33Å; V129-P311 HydrophobicContact CG2-CG 4.32Å
130	L	92.3	Very high	94.6	Very high	16 Å²	16	20.3 Å²	20.3	8%	0.084	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	141.8	178.1	-65.2	177.3	0	0	0	110.4	D117 V118 I120 L128 V132 I145 E148 V245	D117-L130 WeakPolarHBondContact CA-O 3.14Å; V118-L130 PolarHBondContact N-O 2.99Å; V118-L130 PolarHBondContact O-N 3.18Å; I120-L130 HydrophobicContact CG1-CD1 4.18Å; L128-L130 HydrophobicContact CD1-CD2 4.12Å; L128-L130 HydrophobicContact CD2-CD1 4.11Å; L128-L130 HydrophobicContact CD2-CD2 3.9Å; L128-L130 HydrophobicContact CD2-CG 4.08Å; L128-L130 HydrophobicContact CG-CD1 4.37Å; L128-L130 HydrophobicContact CG-CD2 3.84Å; L128-L130 HydrophobicContact CG-CG 3.86Å; L130-V132 HydrophobicContact CB-CG1 4.12Å; L130-I145 HydrophobicContact CD1-CB 4.27Å; L130-I145 HydrophobicContact CD1-CG1 3.89Å; L130-I145 HydrophobicContact CD1-CG2 3.85Å; L130-E148 HydrophobicContact CD2-CG 4.47Å; L130-V245 HydrophobicContact CD2-CG2 4.18Å
131	R	92.2	Very high	94.6	Very high	115 Å²	115	20.5 Å²	20.5	43%	0.434	11%	0.108	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	116.3	167.5	-169.7	75.7	175.2	-177.4	0.1	108.8	H115 N116 D117	H115-R131 VanDerWaalsContact C-NE 3.32Å; H115-R131 HydrophobicContact CB-CG 3.97Å; H115-R131 PolarHBondContact O-NE 3.43Å; H115-R131 PolarHBondContact O-NH2 2.93Å; N116-R131 VanDerWaalsContact CA-CZ 3.44Å; D117-R131 WeakPolarHBondContact OD1-CD 3.24Å; D117-R131 IonicContact OD1-CZ 2.73Å; D117-R131 IonicContact OD1-NE 2.96Å; D117-R131 IonicContact OD1-NH1 3Å; D117-R131 PolarHBondContact OD1-NH1 3.46Å; D117-R131 IonicContact OD2-NH1 3.23Å
132	V	94.7	Very high	94.6	Very high	10 Å²	10	20.6 Å²	20.6	6%	0.061	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	155.6	-177	-57.4	0	0	0	0	111.9	H115 N116 V118 L130 Y134 V141 I145 L291	H115-V132 CarbonylContact C-O 3.55Å; H115-V132 VanDerWaalsContact CA-O 3.24Å; H115-V132 WeakPolarHBondContact CA-O 3.47Å; N116-V132 PolarHBondContact N-O 2.91Å; N116-V132 PolarHBondContact O-N 3.25Å; V118-V132 HydrophobicContact CB-CG2 4.02Å; V118-V132 HydrophobicContact CG2-CG2 3.37Å; L130-V132 HydrophobicContact CB-CG1 4.12Å; V132-Y134 HydrophobicContact CG2-CD2 4.05Å; V132-Y134 HydrophobicContact CG2-CE2 3.82Å; V132-Y134 PolarHBondContact O-N 3.26Å; V132-V141 HydrophobicContact CB-CG1 4Å; V132-V141 HydrophobicContact CG1-CG1 4.14Å; V132-V141 HydrophobicContact CG2-CG1 4.44Å; V132-I145 HydrophobicContact CG1-CD1 4.26Å; V132-I145 HydrophobicContact CG1-CG1 4.22Å; V132-L291 HydrophobicContact CG2-CD1 3.74Å
133	N	95	Very high	94.6	Very high	38 Å²	38	24 Å²	24	20%	0.203	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	107.5	177.4	-172.7	-17.3	0	0	0	111.4	M114 A135 A136 V141	M114-N133 CarbonylContact O-C 3.57Å; N133-A135 PolarHBondContact O-N 2.9Å; N133-A135 WeakPolarHBondContact OD1-CA 3.42Å; N133-A135 WeakPolarHBondContact OD1-CB 3.41Å; N133-A135 PolarHBondContact OD1-N 3.2Å; N133-A136 HydrophobicContact CB-CB 3.93Å; N133-A136 PolarHBondContact O-N 3.41Å; N133-A136 PolarHBondContact OD1-N 3.38Å; N133-V141 VanDerWaalsContact O-CG2 3.3Å; N133-V141 WeakPolarHBondContact O-CG2 3.17Å
134	Y	95.4	Very high	94.4	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-10.9	177.1	-84.5	-113.6	0	0	0	114.5	W90 M114 N116 V118 V132 S290 L291 L292 I296 P298 P312	W90-Y134 PolarHBondContact NE1-O 3.26Å; M114-Y134 WeakPolarHBondContact O-CB 3.4Å; M114-Y134 PolarHBondContact O-N 3.04Å; N116-Y134 HydrophobicContact CB-CD2 3.69Å; N116-Y134 HydrophobicContact CB-CE2 3.39Å; V118-Y134 HydrophobicContact CG2-CE2 3.58Å; V118-Y134 WeakPolarHBondContact CG2-OH 2.99Å; V132-Y134 HydrophobicContact CG2-CD2 4.05Å; V132-Y134 HydrophobicContact CG2-CE2 3.82Å; V132-Y134 PolarHBondContact O-N 3.26Å; Y134-S290 WeakPolarHBondContact O-CB 3.44Å; Y134-S290 PolarHBondContact O-OG 3.26Å; Y134-L291 HydrophobicContact CD1-CB 3.73Å; Y134-L291 HydrophobicContact CD1-CD1 4.32Å; Y134-L291 HydrophobicContact CD2-CD1 4.17Å; Y134-L291 HydrophobicContact CE1-CB 4.08Å; Y134-L291 HydrophobicContact CE1-CD1 4.33Å; Y134-L291 HydrophobicContact CE2-CD1 4.15Å; Y134-L291 HydrophobicContact CG-CB 4.2Å; Y134-L291 HydrophobicContact CG-CD1 4.27Å; Y134-L292 HydrophobicContact CD1-CB 4.44Å; Y134-I296 HydrophobicContact CE1-CG2 4.28Å; Y134-I296 WeakPolarHBondContact CE1-O 3.35Å; Y134-P298 HydrophobicContact CE1-CB 4.05Å; Y134-P298 HydrophobicContact CE1-CG 4.32Å; Y134-P298 HydrophobicContact CE2-CB 4.49Å; Y134-P312 WeakPolarHBondContact OH-CG 3.22Å
135	A	94.4	Very high	94.4	Very high	3 Å²	3	27.1 Å²	27.1	3%	0.025	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	-17.8	174.9	0	0	0	0	0	113.3	W90 L92 M114 N133	W90-A135 HydrophobicContact CD2-CB 3.63Å; W90-A135 HydrophobicContact CE3-CB 4.05Å; W90-A135 HydrophobicContact CG-CB 3.87Å; W90-A135 HydrophobicContact CZ2-CB 4.15Å; W90-A135 HydrophobicContact CZ3-CB 4.47Å; L92-A135 HydrophobicContact CD1-CB 4.45Å; L92-A135 HydrophobicContact CD2-CB 4.13Å; M114-A135 HydrophobicContact CB-CB 4.25Å; M114-A135 HydrophobicContact CG-CB 3.92Å; M114-A135 HydrophobicContact SD-CB 4.03Å; N133-A135 PolarHBondContact O-N 2.9Å; N133-A135 WeakPolarHBondContact OD1-CA 3.42Å; N133-A135 WeakPolarHBondContact OD1-CB 3.41Å; N133-A135 PolarHBondContact OD1-N 3.2Å
136	A	93.1	Very high	94.4	Very high	16 Å²	16	26.9 Å²	26.9	13%	0.132	14%	0.136	C	C	.	.	S	Bend	trans	-75.1	152.3	174.8	0	0	0	0	0	111.3	N133 T140 V141 S290	N133-A136 HydrophobicContact CB-CB 3.93Å; N133-A136 PolarHBondContact O-N 3.41Å; N133-A136 PolarHBondContact OD1-N 3.38Å; A136-T140 HydrophobicContact CB-CG2 4.17Å; A136-V141 HydrophobicContact CB-CG2 4.13Å; A136-S290 WeakPolarHBondContact O-CA 3.49Å; A136-S290 WeakPolarHBondContact O-CB 3.33Å
137	R	93.8	Very high	94.4	Very high	31 Å²	31	34.1 Å²	34.1	12%	0.117	17%	0.166	C	C	.	.	B	Isolated β-bridge	trans	-59.9	146.1	169.6	-60.4	-175.7	-166.5	152.1	12.8	109.8	F139 T140 V141 T223 N225 S288 H847	R137-F139 PolarHBondContact O-N 3.2Å; R137-F139 VanDerWaalsContact O-N 3.14Å; R137-T140 WeakPolarHBondContact O-CB 3.38Å; R137-T140 PolarHBondContact O-N 2.88Å; R137-V141 PolarHBondContact O-N 3.24Å; R137-V141 VanDerWaalsContact O-N 3.12Å; R137-T223 PolarHBondContact NE-OG1 3.26Å; R137-T223 PolarHBondContact NH2-O 2.93Å; R137-T223 PolarHBondContact NH2-OG1 3.06Å; R137-N225 PolarHBondContact NH2-OD1 3.47Å; R137-N225 VanDerWaalsContact NH2-OD1 3.15Å; R137-S288 WeakPolarHBondContact CG-O 3.13Å; R137-H847 PolarHBondContact NH1-CD2 3.24Å
138	L	96.2	Very high	94.3	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.005	17%	0.171	C	C	.	.	H	α-helix	trans	-53.8	-37.4	-179.8	-172.2	83.6	0	0	0	112.5	T140 V141 V142 L159 L285 D286 S287 R289 L291	L138-T140 VanDerWaalsContact C-N 3.31Å; L138-T140 PolarHBondContact O-N 3.2Å; L138-V141 WeakPolarHBondContact O-CB 3.31Å; L138-V141 PolarHBondContact O-N 3.48Å; L138-V141 VanDerWaalsContact O-N 3.17Å; L138-V142 HydrophobicContact CG-CG2 4.43Å; L138-V142 WeakPolarHBondContact O-CG2 3.4Å; L138-V142 PolarHBondContact O-N 2.9Å; L138-L159 HydrophobicContact CD1-CB 4.13Å; L138-L159 HydrophobicContact CD1-CD1 3.7Å; L138-L159 HydrophobicContact CD1-CG 4.42Å; L138-L159 HydrophobicContact CD2-CB 4.45Å; L138-L159 HydrophobicContact CG-CD1 4.45Å; L138-L285 HydrophobicContact CD1-CB 4.26Å; L138-L285 HydrophobicContact CD1-CD1 3.91Å; L138-L285 HydrophobicContact CD2-CB 3.41Å; L138-L285 VanDerWaalsContact CD2-CB 3.41Å; L138-L285 HydrophobicContact CD2-CD1 4.5Å; L138-L285 HydrophobicContact CG-CB 4.46Å; L138-D286 VanDerWaalsContact CB-O 3.31Å; L138-D286 WeakPolarHBondContact CB-O 3.28Å; L138-D286 WeakPolarHBondContact CD2-O 3.35Å; L138-S287 PolarHBondContact N-O 3.02Å; L138-R289 WeakPolarHBondContact CB-O 3.36Å; L138-R289 PolarHBondContact N-O 2.89Å; L138-L291 HydrophobicContact CD1-CD2 3.52Å; L138-L291 HydrophobicContact CD1-CG 4.48Å
139	F	96.4	Very high	94.3	Very high	11 Å²	11	35.1 Å²	35.1	5%	0.048	17%	0.167	C	C	.	.	H	α-helix	trans	-55.2	-45.1	175.2	-173.7	-97.8	0	0	0	112.9	R137 V142 R143 E155 S287 V841 E843 F846	R137-F139 PolarHBondContact O-N 3.2Å; R137-F139 VanDerWaalsContact O-N 3.14Å; F139-V142 PolarHBondContact O-N 2.85Å; F139-R143 PolarHBondContact O-N 3.12Å; F139-E155 HydrophobicContact CE2-CB 4.08Å; F139-E155 HydrophobicContact CZ-CB 4.3Å; F139-S287 WeakPolarHBondContact CB-O 3.38Å; F139-S287 PolarHBondContact N-O 3.01Å; F139-V841 HydrophobicContact CE1-CG1 3.93Å; F139-V841 HydrophobicContact CZ-CG1 3.49Å; F139-V841 VanDerWaalsContact CZ-CG1 3.49Å; F139-E843 HydrophobicContact CD1-CB 4.42Å; F139-E843 HydrophobicContact CD1-CG 3.77Å; F139-E843 HydrophobicContact CE1-CB 3.9Å; F139-E843 HydrophobicContact CE1-CG 3.76Å; F139-F846 AromaticContact CD2-CD1 3.58Å; F139-F846 HydrophobicContact CD2-CD1 3.58Å; F139-F846 AromaticContact CD2-CE1 3.37Å; F139-F846 HydrophobicContact CD2-CE1 3.37Å; F139-F846 HydrophobicContact CD2-CG 4.3Å; F139-F846 AromaticContact CD2-CZ 3.93Å; F139-F846 HydrophobicContact CD2-CZ 3.93Å; F139-F846 HydrophobicContact CE2-CB 4.49Å; F139-F846 AromaticContact CE2-CD1 3.46Å; F139-F846 HydrophobicContact CE2-CD1 3.46Å; F139-F846 VanDerWaalsContact CE2-CD1 3.46Å; F139-F846 AromaticContact CE2-CD2 3.99Å; F139-F846 HydrophobicContact CE2-CD2 3.99Å; F139-F846 AromaticContact CE2-CE1 3.53Å; F139-F846 HydrophobicContact CE2-CE1 3.53Å; F139-F846 HydrophobicContact CE2-CE2 4.04Å; F139-F846 AromaticContact CE2-CG 3.7Å; F139-F846 HydrophobicContact CE2-CG 3.7Å; F139-F846 AromaticContact CE2-CZ 3.81Å; F139-F846 HydrophobicContact CE2-CZ 3.81Å; F139-F846 HydrophobicContact CG-CD1 4.28Å; F139-F846 HydrophobicContact CG-CE1 4.31Å; F139-F846 HydrophobicContact CZ-CB 4.38Å; F139-F846 HydrophobicContact CZ-CD1 4.08Å; F139-F846 HydrophobicContact CZ-CG 4.07Å
140	T	94.5	Very high	94.3	Very high	18 Å²	18	35.1 Å²	35.1	11%	0.11	16%	0.164	C	C	.	.	H	α-helix	trans	-66.1	-42.5	176.1	-60.3	0	0	0	0	111.3	A136 R137 L138 V142 R143 D144 E843	A136-T140 HydrophobicContact CB-CG2 4.17Å; R137-T140 WeakPolarHBondContact O-CB 3.38Å; R137-T140 PolarHBondContact O-N 2.88Å; L138-T140 VanDerWaalsContact C-N 3.31Å; L138-T140 PolarHBondContact O-N 3.2Å; T140-V142 VanDerWaalsContact C-N 3.32Å; T140-V142 PolarHBondContact O-N 3.4Å; T140-R143 WeakPolarHBondContact O-CB 3.45Å; T140-R143 PolarHBondContact O-N 3.37Å; T140-D144 VanDerWaalsContact O-CG 3.25Å; T140-D144 PolarHBondContact O-N 3.07Å; T140-E843 PolarHBondContact OG1-OE1 2.8Å
141	V	96.6	Very high	94.4	Very high	4 Å²	4	34.9 Å²	34.9	2%	0.024	16%	0.163	C	C	.	.	H	α-helix	trans	-58.3	-45.2	175.7	176.1	0	0	0	0	111	V132 N133 A136 R137 L138 D144 I145 L159	V132-V141 HydrophobicContact CB-CG1 4Å; V132-V141 HydrophobicContact CG1-CG1 4.14Å; V132-V141 HydrophobicContact CG2-CG1 4.44Å; N133-V141 VanDerWaalsContact O-CG2 3.3Å; N133-V141 WeakPolarHBondContact O-CG2 3.17Å; A136-V141 HydrophobicContact CB-CG2 4.13Å; R137-V141 PolarHBondContact O-N 3.24Å; R137-V141 VanDerWaalsContact O-N 3.12Å; L138-V141 WeakPolarHBondContact O-CB 3.31Å; L138-V141 PolarHBondContact O-N 3.48Å; L138-V141 VanDerWaalsContact O-N 3.17Å; V141-D144 PolarHBondContact O-N 2.85Å; V141-I145 HydrophobicContact CG1-CD1 3.86Å; V141-I145 VanDerWaalsContact O-CG1 3.25Å; V141-I145 WeakPolarHBondContact O-CG1 3.25Å; V141-I145 PolarHBondContact O-N 3.12Å; V141-L159 HydrophobicContact CG1-CD1 4.31Å
142	V	97.7	Very high	94.4	Very high	3 Å²	3	31.8 Å²	31.8	2%	0.018	15%	0.151	C	C	.	.	H	α-helix	trans	-62.4	-43.6	176.5	172	0	0	0	0	111.1	L138 F139 T140 D144 I145 C146 L157 L159 L316	L138-V142 HydrophobicContact CG-CG2 4.43Å; L138-V142 WeakPolarHBondContact O-CG2 3.4Å; L138-V142 PolarHBondContact O-N 2.9Å; F139-V142 PolarHBondContact O-N 2.85Å; T140-V142 VanDerWaalsContact C-N 3.32Å; T140-V142 PolarHBondContact O-N 3.4Å; V142-D144 VanDerWaalsContact C-N 3.34Å; V142-D144 PolarHBondContact O-N 3.22Å; V142-I145 PolarHBondContact O-N 2.97Å; V142-C146 WeakPolarHBondContact O-CB 3.24Å; V142-C146 PolarHBondContact O-N 2.8Å; V142-C146 PolarHBondContact O-SG 2.75Å; V142-L157 HydrophobicContact CG1-CB 4.17Å; V142-L159 HydrophobicContact CG2-CD1 4.07Å; V142-L159 HydrophobicContact CG2-CG 3.87Å; V142-L316 HydrophobicContact CG1-CD1 4.35Å
143	R	95.4	Very high	94.3	Very high	72 Å²	72	32 Å²	32	27%	0.272	15%	0.152	S	C	.	.	H	α-helix	trans	-59	-45.1	176.6	-175.5	-177.3	69.2	-155.2	-0.1	111.8	F139 T140 C146 K147 E843	F139-R143 PolarHBondContact O-N 3.12Å; T140-R143 WeakPolarHBondContact O-CB 3.45Å; T140-R143 PolarHBondContact O-N 3.37Å; R143-C146 PolarHBondContact O-N 3.33Å; R143-K147 WeakPolarHBondContact O-CB 3.47Å; R143-K147 PolarHBondContact O-N 2.81Å; R143-E843 IonicContact CZ-OE2 3.14Å; R143-E843 IonicContact NH1-OE2 2.81Å; R143-E843 PolarHBondContact NH1-OE2 2.99Å
144	D	94.8	Very high	94.3	Very high	74 Å²	74	30.7 Å²	30.7	40%	0.396	15%	0.146	S	C	.	.	H	α-helix	trans	-68.6	-40.3	-178.7	-64	-19	0	0	0	111.3	T140 V141 V142 K147 E148	T140-D144 VanDerWaalsContact O-CG 3.25Å; T140-D144 PolarHBondContact O-N 3.07Å; V141-D144 PolarHBondContact O-N 2.85Å; V142-D144 VanDerWaalsContact C-N 3.34Å; V142-D144 PolarHBondContact O-N 3.22Å; D144-K147 PolarHBondContact O-N 2.85Å; D144-E148 PolarHBondContact O-N 3.34Å
145	I	95.4	Very high	94.3	Very high	4 Å²	4	30.8 Å²	30.8	2%	0.021	15%	0.146	C	C	.	.	H	α-helix	trans	-59.4	-47.7	171.6	-68.4	165.7	0	0	0	110.8	I120 L130 V132 V141 V142 K147 E148 L149 L159 L316	I120-I145 HydrophobicContact CD1-CD1 3.82Å; I120-I145 HydrophobicContact CG1-CD1 4.03Å; L130-I145 HydrophobicContact CD1-CB 4.27Å; L130-I145 HydrophobicContact CD1-CG1 3.89Å; L130-I145 HydrophobicContact CD1-CG2 3.85Å; V132-I145 HydrophobicContact CG1-CD1 4.26Å; V132-I145 HydrophobicContact CG1-CG1 4.22Å; V141-I145 HydrophobicContact CG1-CD1 3.86Å; V141-I145 VanDerWaalsContact O-CG1 3.25Å; V141-I145 WeakPolarHBondContact O-CG1 3.25Å; V141-I145 PolarHBondContact O-N 3.12Å; V142-I145 PolarHBondContact O-N 2.97Å; I145-K147 VanDerWaalsContact C-N 3.29Å; I145-K147 PolarHBondContact O-N 2.72Å; I145-E148 PolarHBondContact O-N 2.91Å; I145-L149 HydrophobicContact CG2-CD1 3.81Å; I145-L149 WeakPolarHBondContact O-CG 3.33Å; I145-L149 PolarHBondContact O-N 3.49Å; I145-L149 VanDerWaalsContact O-N 3.09Å; I145-L159 HydrophobicContact CD1-CD1 4.23Å; I145-L316 HydrophobicContact CG2-CD2 4.1Å
146	C	95.4	Very high	94.3	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.007	15%	0.145	C	C	.	.	H	α-helix	trans	-64	-36.8	180	-68.5	0	0	0	0	111.7	V142 R143 L149 N150 I151	V142-C146 WeakPolarHBondContact O-CB 3.24Å; V142-C146 PolarHBondContact O-N 2.8Å; V142-C146 PolarHBondContact O-SG 2.75Å; R143-C146 PolarHBondContact O-N 3.33Å; C146-L149 CarbonylContact O-C 3.57Å; C146-L149 PolarHBondContact O-N 3.4Å; C146-N150 PolarHBondContact O-N 2.96Å; C146-I151 HydrophobicContact CB-CB 4.08Å; C146-I151 HydrophobicContact CB-CG2 4.45Å; C146-I151 PolarHBondContact O-N 2.86Å
147	K	92.2	Very high	94.6	Very high	169 Å²	169	30.2 Å²	30.2	74%	0.735	14%	0.14	S	C	*	.	H	α-helix	trans	-63.1	-44.2	175.5	-173.2	-179.7	179.6	-179.4	0	111.9	R143 D144 I145 L149 N150	R143-K147 WeakPolarHBondContact O-CB 3.47Å; R143-K147 PolarHBondContact O-N 2.81Å; D144-K147 PolarHBondContact O-N 2.85Å; I145-K147 VanDerWaalsContact C-N 3.29Å; I145-K147 PolarHBondContact O-N 2.72Å; K147-L149 VanDerWaalsContact C-N 3.26Å; K147-L149 PolarHBondContact O-N 3.39Å; K147-N150 PolarHBondContact O-N 2.9Å
148	E	91.3	Very high	94.8	Very high	78 Å²	78	29 Å²	29	36%	0.364	14%	0.136	S	C	.	.	H	α-helix	trans	-63.3	-34.2	176.2	-169.2	63.4	-159.7	0	0	111.9	L130 D144 I145 V245	L130-E148 HydrophobicContact CD2-CG 4.47Å; D144-E148 PolarHBondContact O-N 3.34Å; I145-E148 PolarHBondContact O-N 2.91Å; E148-V245 HydrophobicContact CG-CB 4.14Å; E148-V245 HydrophobicContact CG-CG2 3.86Å; E148-V245 WeakPolarHBondContact OE1-CG2 3.46Å; E148-V245 PolarHBondContact OE1-N 3.14Å
149	L	91.8	Very high	94.9	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87	0.3	178.9	-65.9	171.7	0	0	0	114.5	L122 L128 I145 C146 K147 I151 Y250 L316 V333	L122-L149 HydrophobicContact CD1-CD2 4.39Å; L122-L149 HydrophobicContact CD2-CD1 3.49Å; L122-L149 VanDerWaalsContact CD2-CD1 3.49Å; L128-L149 HydrophobicContact CD2-CD2 3.66Å; I145-L149 HydrophobicContact CG2-CD1 3.81Å; I145-L149 WeakPolarHBondContact O-CG 3.33Å; I145-L149 PolarHBondContact O-N 3.49Å; I145-L149 VanDerWaalsContact O-N 3.09Å; C146-L149 CarbonylContact O-C 3.57Å; C146-L149 PolarHBondContact O-N 3.4Å; K147-L149 VanDerWaalsContact C-N 3.26Å; K147-L149 PolarHBondContact O-N 3.39Å; L149-I151 VanDerWaalsContact C-N 3.28Å; L149-I151 HydrophobicContact CB-CD1 3.84Å; L149-I151 HydrophobicContact CB-CG1 3.92Å; L149-I151 HydrophobicContact CD1-CD1 4.03Å; L149-I151 PolarHBondContact O-N 3.28Å; L149-Y250 HydrophobicContact CD2-CD2 4.37Å; L149-L316 HydrophobicContact CD1-CD2 4.15Å; L149-V333 WeakPolarHBondContact O-CG1 3.27Å
150	N	91.4	Very high	94.9	Very high	74 Å²	74	29 Å²	29	40%	0.396	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.8	43.1	-172.3	-168	37.5	0	0	0	113.2	C146 K147 F247	C146-N150 PolarHBondContact O-N 2.96Å; K147-N150 PolarHBondContact O-N 2.9Å; N150-F247 HydrophobicContact CB-CD2 3.96Å; N150-F247 HydrophobicContact CB-CE2 4.23Å; N150-F247 HydrophobicContact CB-CG 4.16Å
151	I	94.6	Very high	95	Very high	10 Å²	10	30.3 Å²	30.3	5%	0.051	14%	0.143	C	C	.	.			trans	-100.5	115.8	173.9	-63.3	173.4	0	0	0	108.1	C146 L149 L157 V333 R334 Q337	C146-I151 HydrophobicContact CB-CB 4.08Å; C146-I151 HydrophobicContact CB-CG2 4.45Å; C146-I151 PolarHBondContact O-N 2.86Å; L149-I151 VanDerWaalsContact C-N 3.28Å; L149-I151 HydrophobicContact CB-CD1 3.84Å; L149-I151 HydrophobicContact CB-CG1 3.92Å; L149-I151 HydrophobicContact CD1-CD1 4.03Å; L149-I151 PolarHBondContact O-N 3.28Å; I151-L157 HydrophobicContact CG2-CD1 3.98Å; I151-V333 HydrophobicContact CD1-CG1 4.25Å; I151-V333 HydrophobicContact CG1-CB 4.41Å; I151-V333 HydrophobicContact CG1-CG1 3.91Å; I151-R334 HydrophobicContact CG2-CB 4.13Å; I151-R334 HydrophobicContact CG2-CG 4.21Å; I151-Q337 HydrophobicContact CD1-CG 4.13Å
152	R	92.6	Very high	94.9	Very high	50 Å²	50	32.3 Å²	32.3	19%	0.189	16%	0.156	C	C	.	.	S	Bend	trans	-74.1	159.9	173.6	-58.1	-164.1	-60.3	144.5	1.9	111.2	D325 D331 R334	R152-D325 IonicContact CZ-OD2 2.73Å; R152-D325 IonicContact NH1-OD2 2.6Å; R152-D325 PolarHBondContact NH1-OD2 2.85Å; R152-D325 PolarHBondContact NH2-O 3.34Å; R152-D325 IonicContact NH2-OD2 2.77Å; R152-D325 PolarHBondContact NH2-OD2 3.42Å; R152-D331 IonicContact CZ-OD1 2.62Å; R152-D331 IonicContact CZ-OD2 3.2Å; R152-D331 IonicContact NE-OD1 2.63Å; R152-D331 PolarHBondContact NE-OD1 2.78Å; R152-D331 IonicContact NE-OD2 3.96Å; R152-D331 IonicContact NH2-OD1 2.66Å; R152-D331 PolarHBondContact NH2-OD1 3.08Å; R152-D331 IonicContact NH2-OD2 2.95Å; R152-D331 PolarHBondContact NH2-OD2 3.13Å; R152-R334 WeakPolarHBondContact O-CD 3.01Å
153	H	92.8	Very high	94.7	Very high	15 Å²	15	33.7 Å²	33.7	7%	0.069	16%	0.163	C	C	.	.			trans	57.1	58.3	176.2	-47.9	-76.9	0	0	0	113.5	E155 E156 Y324 D325 R334	H153-E155 VanDerWaalsContact CA-OE2 3.24Å; H153-E155 WeakPolarHBondContact CA-OE2 3.11Å; H153-E155 PolarHBondContact O-N 3.12Å; H153-E155 VanDerWaalsContact O-N 3.08Å; H153-E156 HydrophobicContact CB-CG 4.09Å; H153-E156 WeakPolarHBondContact O-CB 3.42Å; H153-E156 WeakPolarHBondContact O-CG 3.49Å; H153-E156 PolarHBondContact O-N 3.11Å; H153-Y324 HydrophobicContact CB-CE1 4.27Å; H153-Y324 AromaticContact CE1-CE2 3.5Å; H153-Y324 VanDerWaalsContact CE1-CE2 3.5Å; H153-Y324 WeakPolarHBondContact CE1-CE2 3.45Å; H153-Y324 AromaticContact CE1-CZ 3.76Å; H153-Y324 AromaticContact CG-CZ 3.81Å; H153-Y324 AromaticContact ND1-CE1 3.93Å; H153-Y324 AromaticContact ND1-CE2 3.4Å; H153-Y324 WeakPolarHBondContact ND1-CE2 3.44Å; H153-Y324 AromaticContact ND1-CZ 3.13Å; H153-Y324 PolarHBondContact ND1-OH 3.44Å; H153-D325 IonicContact NE2-OD2 3.84Å; H153-R334 VanDerWaalsContact CD2-CZ 3.44Å; H153-R334 PolarHBondContact CD2-NH1 2.87Å
154	S	95	Very high	94.5	Very high	11 Å²	11	33 Å²	33	8%	0.077	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-58.2	-22.6	-177.8	56.2	0	0	0	0	114.5	E156 L157	S154-E156 PolarHBondContact O-N 2.89Å; S154-L157 PolarHBondContact O-N 3.2Å
155	E	94.9	Very high	94.3	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.005	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-65.3	-14.5	175.7	68.6	-91.6	-146.6	0	0	114.1	F139 H153 Y320 Y324 F829 L830 R833 V841	F139-E155 HydrophobicContact CE2-CB 4.08Å; F139-E155 HydrophobicContact CZ-CB 4.3Å; H153-E155 VanDerWaalsContact CA-OE2 3.24Å; H153-E155 WeakPolarHBondContact CA-OE2 3.11Å; H153-E155 PolarHBondContact O-N 3.12Å; H153-E155 VanDerWaalsContact O-N 3.08Å; E155-Y320 VanDerWaalsContact O-CD2 3.25Å; E155-Y320 WeakPolarHBondContact O-CD2 3.39Å; E155-Y320 WeakPolarHBondContact O-CE2 3.24Å; E155-Y324 PolarHBondContact OE1-OH 3.42Å; E155-F829 HydrophobicContact CB-CE1 4.21Å; E155-F829 HydrophobicContact CG-CE1 3.98Å; E155-L830 HydrophobicContact CG-CD2 3.78Å; E155-R833 IonicContact OE1-CZ 3.36Å; E155-R833 VanDerWaalsContact OE1-CZ 3.3Å; E155-R833 IonicContact OE1-NE 2.8Å; E155-R833 PolarHBondContact OE1-NE 2.81Å; E155-R833 IonicContact OE1-NH2 3.86Å; E155-R833 PolarHBondContact OE1-NH2 2.84Å; E155-R833 IonicContact OE2-NH2 3.17Å; E155-V841 WeakPolarHBondContact OE2-CG2 3.16Å
156	E	95.7	Very high	94	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-74.7	-19.9	173	-61.2	179.4	162.1	0	0	111.5	H153 S154 F318 K319 Y320 Y324 R334 L830	H153-E156 HydrophobicContact CB-CG 4.09Å; H153-E156 WeakPolarHBondContact O-CB 3.42Å; H153-E156 WeakPolarHBondContact O-CG 3.49Å; H153-E156 PolarHBondContact O-N 3.11Å; S154-E156 PolarHBondContact O-N 2.89Å; E156-F318 HydrophobicContact CB-CD1 4.1Å; E156-F318 CarbonylContact O-C 3.53Å; E156-F318 WeakPolarHBondContact O-CA 3.49Å; E156-K319 PolarHBondContact O-N 2.83Å; E156-Y320 PolarHBondContact O-N 3.24Å; E156-Y324 WeakPolarHBondContact OE1-CD1 3.5Å; E156-Y324 PolarHBondContact OE1-N 2.89Å; E156-R334 IonicContact OE1-CZ 3.46Å; E156-R334 IonicContact OE1-NH2 2.77Å; E156-R334 PolarHBondContact OE1-NH2 2.54Å; E156-R334 IonicContact OE2-CZ 3.9Å; E156-R334 IonicContact OE2-NE 3.49Å; E156-R334 PolarHBondContact OE2-NE 3.01Å; E156-R334 VanDerWaalsContact OE2-NE 3.14Å; E156-R334 IonicContact OE2-NH2 3.37Å; E156-R334 PolarHBondContact OE2-NH2 3.33Å; E156-L830 HydrophobicContact CG-CD2 4.45Å
157	L	97.8	Very high	93.7	Very high	7 Å²	7	41.5 Å²	41.5	4%	0.037	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	159.3	-173.7	-59.2	99.9	0	0	0	112.1	V142 I151 S154 L316 C317 F318	V142-L157 HydrophobicContact CG1-CB 4.17Å; I151-L157 HydrophobicContact CG2-CD1 3.98Å; S154-L157 PolarHBondContact O-N 3.2Å; L157-L316 HydrophobicContact CB-CD1 3.95Å; L157-L316 HydrophobicContact CD2-CD1 4Å; L157-L316 HydrophobicContact CD2-CD2 4.07Å; L157-L316 HydrophobicContact CD2-CG 3.82Å; L157-C317 CarbonylContact C-O 3.54Å; L157-C317 VanDerWaalsContact CA-O 3.25Å; L157-C317 WeakPolarHBondContact CA-O 3.31Å; L157-F318 HydrophobicContact CD1-CD1 4.04Å; L157-F318 HydrophobicContact CD1-CE1 3.72Å; L157-F318 HydrophobicContact CD1-CZ 4.3Å; L157-F318 HydrophobicContact CD2-CD1 4.12Å; L157-F318 HydrophobicContact CD2-CD2 4.15Å; L157-F318 HydrophobicContact CD2-CE1 3.97Å; L157-F318 HydrophobicContact CD2-CE2 3.99Å; L157-F318 HydrophobicContact CD2-CG 4.21Å; L157-F318 HydrophobicContact CD2-CZ 3.88Å; L157-F318 HydrophobicContact CG-CD1 3.73Å; L157-F318 HydrophobicContact CG-CE1 3.82Å; L157-F318 HydrophobicContact CG-CG 4.13Å; L157-F318 HydrophobicContact CG-CZ 4.26Å
158	S	98	Very high	93.6	Very high	5 Å²	5	34 Å²	34	4%	0.035	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	176	170.2	-163.1	0	0	0	0	110.1	C317	S158-C317 PolarHBondContact N-O 3.3Å; S158-C317 PolarHBondContact O-N 3.16Å
159	L	98.4	Very high	93.6	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.005	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	142	177.3	-67.7	169.3	0	0	0	110.7	I120 L138 V141 V142 I145 L285 L314 Y315 L316	I120-L159 HydrophobicContact CD1-CD2 4.05Å; L138-L159 HydrophobicContact CD1-CB 4.13Å; L138-L159 HydrophobicContact CD1-CD1 3.7Å; L138-L159 HydrophobicContact CD1-CG 4.42Å; L138-L159 HydrophobicContact CD2-CB 4.45Å; L138-L159 HydrophobicContact CG-CD1 4.45Å; V141-L159 HydrophobicContact CG1-CD1 4.31Å; V142-L159 HydrophobicContact CG2-CD1 4.07Å; V142-L159 HydrophobicContact CG2-CG 3.87Å; I145-L159 HydrophobicContact CD1-CD1 4.23Å; L159-L285 HydrophobicContact CB-CD1 3.97Å; L159-L285 WeakPolarHBondContact O-CB 3.26Å; L159-L285 PolarHBondContact O-N 2.87Å; L159-L285 VanDerWaalsContact O-N 3.12Å; L159-L314 HydrophobicContact CD1-CD1 4.1Å; L159-L314 HydrophobicContact CD2-CB 4.23Å; L159-Y315 CarbonylContact C-O 3.48Å; L159-Y315 VanDerWaalsContact CA-O 3.31Å; L159-Y315 WeakPolarHBondContact CA-O 3.46Å; L159-L316 HydrophobicContact CD2-CB 4.13Å; L159-L316 HydrophobicContact CD2-CD1 4.16Å
160	T	97.7	Very high	93.6	Very high	12 Å²	12	40.8 Å²	40.8	7%	0.074	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	149.4	175.7	-174.6	0	0	0	0	110.7	G283 W284 Y315	T160-G283 WeakPolarHBondContact CA-O 3.44Å; T160-G283 WeakPolarHBondContact OG1-CA 3.42Å; T160-G283 PolarHBondContact OG1-O 3.42Å; T160-G283 VanDerWaalsContact OG1-O 3.08Å; T160-W284 HydrophobicContact CG2-CZ3 4.46Å; T160-W284 PolarHBondContact OG1-N 2.81Å; T160-Y315 PolarHBondContact N-O 3.44Å; T160-Y315 PolarHBondContact O-N 2.79Å
161	L	96.2	Very high	93.4	Very high	45 Å²	45	39.6 Å²	39.6	24%	0.236	20%	0.203	C	C	.	.			trans	-68.7	152	170.4	-63.5	175.7	0	0	0	110.7	I163 L174 G283 L285 I296 L314	L161-I163 PolarHBondContact O-N 3.41Å; L161-L174 HydrophobicContact CD1-CD1 3.97Å; L161-L174 HydrophobicContact CD1-CD2 3.58Å; L161-L174 HydrophobicContact CD1-CG 4.42Å; L161-G283 PolarHBondContact N-O 2.82Å; L161-L285 HydrophobicContact CD1-CD2 4.4Å; L161-L285 HydrophobicContact CD2-CD2 4.17Å; L161-L285 HydrophobicContact CG-CD2 3.95Å; L161-I296 HydrophobicContact CD2-CD1 4.44Å; L161-I296 HydrophobicContact CD2-CG1 4.47Å; L161-L314 HydrophobicContact CD2-CD2 3.69Å
162	P	94.6	Very high	93.1	Very high	46 Å²	46	41.6 Å²	41.6	30%	0.299	22%	0.217	S	C	.	.			trans	-58.2	123.7	171.9	-19.6	30.3	0	0	0	111.3	T164 T313 Y315	P162-T164 PolarHBondContact O-N 3.11Å; P162-T313 WeakPolarHBondContact CD-O 3.31Å; P162-T313 HydrophobicContact CG-CG2 4.42Å; P162-T313 WeakPolarHBondContact CG-O 3.41Å; P162-Y315 HydrophobicContact CB-CD2 4.3Å; P162-Y315 HydrophobicContact CB-CE2 3.83Å; P162-Y315 HydrophobicContact CG-CD2 4.08Å; P162-Y315 HydrophobicContact CG-CE2 3.83Å
163	I	92.8	Very high	92.8	Very high	32 Å²	32	42.1 Å²	42.1	16%	0.164	23%	0.227	C	C	.	.			trans	-81.8	115.5	179.4	-56.5	-60.4	0	0	0	110.3	L161 M167 L168 M269 L280	L161-I163 PolarHBondContact O-N 3.41Å; I163-M167 HydrophobicContact CD1-SD 4.43Å; I163-M167 HydrophobicContact CG2-CB 4.27Å; I163-L168 HydrophobicContact CG2-CD2 4.23Å; I163-L168 HydrophobicContact CG2-CG 4.33Å; I163-M269 HydrophobicContact CG2-CG 4.45Å; I163-L280 HydrophobicContact CG2-CD2 4.17Å
164	T	91	Very high	92.5	Very high	59 Å²	59	43.1 Å²	43.1	36%	0.362	23%	0.233	S	C	.	.			trans	-87.4	161.2	178.2	71.5	0	0	0	0	112.4	P162 N166 M167 L168	P162-T164 PolarHBondContact O-N 3.11Å; T164-N166 PolarHBondContact O-N 2.69Å; T164-N166 VanDerWaalsContact O-N 3.14Å; T164-M167 PolarHBondContact O-N 2.9Å; T164-M167 VanDerWaalsContact O-N 3.12Å; T164-M167 PolarHBondContact OG1-N 2.94Å; T164-L168 PolarHBondContact O-N 3.49Å
165	K	90.2	Very high	91.8	Very high	121 Å²	121	46.8 Å²	46.8	53%	0.526	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-28.2	174.2	-69.4	175.3	-176.9	162.9	0	113	S266 M269	K165-S266 VanDerWaalsContact CE-OG 3.31Å; K165-S266 WeakPolarHBondContact CE-OG 3.33Å; K165-S266 PolarHBondContact NZ-OG 2.77Å; K165-S266 VanDerWaalsContact NZ-OG 3.1Å; K165-M269 HydrophobicContact CG-CE 4.38Å; K165-M269 HydrophobicContact CG-SD 3.57Å; K165-M269 VanDerWaalsContact CG-SD 3.57Å
166	N	88.9	Confident	90.9	Very high	107 Å²	107	49.2 Å²	49.2	57%	0.572	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-39.5	178.6	-70.6	-16.9	0	0	0	111.4	T164 L168 K169 T170	T164-N166 PolarHBondContact O-N 2.69Å; T164-N166 VanDerWaalsContact O-N 3.14Å; N166-L168 PolarHBondContact O-N 2.96Å; N166-K169 PolarHBondContact O-N 3.4Å; N166-T170 PolarHBondContact O-N 3.08Å; N166-T170 PolarHBondContact O-OG1 3.18Å
167	M	90.4	Very high	89.7	Confident	29 Å²	29	50.7 Å²	50.7	14%	0.143	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-22.6	175.8	-63.9	-171.7	84.5	0	0	113.1	I163 T164 C172 S282	I163-M167 HydrophobicContact CD1-SD 4.43Å; I163-M167 HydrophobicContact CG2-CB 4.27Å; T164-M167 PolarHBondContact O-N 2.9Å; T164-M167 VanDerWaalsContact O-N 3.12Å; T164-M167 PolarHBondContact OG1-N 2.94Å; M167-C172 HydrophobicContact CE-CB 4.43Å; M167-S282 WeakPolarHBondContact CE-OG 3.37Å
168	L	90.4	Very high	88.3	Confident	11 Å²	11	54.3 Å²	54.3	6%	0.058	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-19.3	172.5	-68.6	-172.1	0	0	0	114.2	I163 T164 N166 M269 Q276 R279 L280	I163-L168 HydrophobicContact CG2-CD2 4.23Å; I163-L168 HydrophobicContact CG2-CG 4.33Å; T164-L168 PolarHBondContact O-N 3.49Å; N166-L168 PolarHBondContact O-N 2.96Å; L168-M269 HydrophobicContact CD1-CB 3.46Å; L168-M269 VanDerWaalsContact CD1-CB 3.46Å; L168-M269 HydrophobicContact CD1-CG 3.76Å; L168-M269 HydrophobicContact CG-CG 4.48Å; L168-Q276 HydrophobicContact CB-CG 4.47Å; L168-Q276 HydrophobicContact CD2-CB 4.45Å; L168-R279 HydrophobicContact CD2-CB 3.96Å; L168-R279 VanDerWaalsContact O-CD 3.23Å; L168-R279 WeakPolarHBondContact O-CD 3.46Å; L168-R279 PolarHBondContact O-NH1 3.44Å; L168-L280 HydrophobicContact CD2-CD2 3.84Å; L168-L280 HydrophobicContact CD2-CG 4.11Å
169	K	90.9	Very high	86.2	Confident	145 Å²	145	57.7 Å²	57.7	63%	0.63	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-34.5	-178.6	-69.6	177	-177.7	175.8	0	112.4	N166 R279	N166-K169 PolarHBondContact O-N 3.4Å; K169-R279 PolarHBondContact O-NH1 3.39Å
170	T	90.6	Very high	83.9	Confident	76 Å²	76	60.4 Å²	60.4	47%	0.466	34%	0.343	S	S	.	.	S	Bend	trans	-130.5	152.6	-174.4	50.4	0	0	0	0	111.2	N166 C172	N166-T170 PolarHBondContact O-N 3.08Å; N166-T170 PolarHBondContact O-OG1 3.18Å; T170-C172 PolarHBondContact O-N 3.25Å; T170-C172 PolarHBondContact OG1-SG 3.41Å
171	N	88.6	Confident	81.7	Confident	49 Å²	49	65.3 Å²	65.3	26%	0.262	37%	0.368	S	S	.	.			trans	-73.2	112	172.6	-66	-9.6	0	0	0	108.4	R279 I734 L813	N171-R279 PolarHBondContact OD1-NE 2.83Å; N171-R279 PolarHBondContact OD1-NH2 3.42Å; N171-I734 WeakPolarHBondContact OD1-CD1 3.38Å; N171-L813 WeakPolarHBondContact CB-O 3.34Å
172	C	86.6	Confident	79	Confident	51 Å²	51	72.6 Å²	72.6	35%	0.345	39%	0.393	S	S	.	.			trans	-129.2	73.8	-178.3	-64.1	0	0	0	0	109.8	M167 T170	M167-C172 HydrophobicContact CE-CB 4.43Å; T170-C172 PolarHBondContact O-N 3.25Å; T170-C172 PolarHBondContact OG1-SG 3.41Å
173	P	86.8	Confident	76.5	Confident	62 Å²	62	75.2 Å²	75.2	40%	0.403	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-65.3	144.7	177.9	29.5	-35.8	0	0	0	111.1
174	L	86.2	Confident	73.6	Confident	36 Å²	36	79 Å²	79	19%	0.188	42%	0.423	C	S	.	.	P	Polyproline II helix	trans	-66	144.4	171.2	-64.9	177.2	0	0	0	110.9	L161 T176 S282 L285 N816	L161-L174 HydrophobicContact CD1-CD1 3.97Å; L161-L174 HydrophobicContact CD1-CD2 3.58Å; L161-L174 HydrophobicContact CD1-CG 4.42Å; L174-T176 PolarHBondContact O-N 2.89Å; L174-S282 WeakPolarHBondContact CG-O 3.38Å; L174-L285 HydrophobicContact CD1-CD2 4.3Å; L174-N816 PolarHBondContact O-ND2 3.44Å; L174-N816 VanDerWaalsContact O-ND2 3.11Å
175	P	81.4	Confident	70.7	Confident	87 Å²	87	80.1 Å²	80.1	57%	0.565	45%	0.446	S	S	*	.	P	Polyproline II helix	trans	-55.9	133.5	178.5	-23.4	32.9	0	0	0	112.2	V177	P175-V177 PolarHBondContact O-N 3.29Å
176	T	76	Confident	67.9	Low	52 Å²	52	78.9 Å²	78.9	32%	0.319	45%	0.449	S	S	.	.	P	Polyproline II helix	trans	-73.4	118.2	171.7	-53.8	0	0	0	0	109.7	L174 R178 W794 N816	L174-T176 PolarHBondContact O-N 2.89Å; T176-R178 HydrophobicContact CG2-CG 4.43Å; T176-R178 PolarHBondContact O-N 3.45Å; T176-W794 HydrophobicContact CG2-CE3 3.8Å; T176-W794 HydrophobicContact CG2-CH2 4.32Å; T176-W794 HydrophobicContact CG2-CZ3 3.4Å; T176-N816 WeakPolarHBondContact OG1-CB 3.27Å
177	V	70.1	Confident	65	Low	32 Å²	32	78.8 Å²	78.8	19%	0.194	46%	0.457	C	S	.	.			trans	-92.8	96.6	177.7	-175.4	0	0	0	0	109.9	P175 R289	P175-V177 PolarHBondContact O-N 3.29Å; V177-R289 PolarHBondContact O-NE 2.92Å; V177-R289 PolarHBondContact O-NH2 3.36Å
178	R	67.8	Low	62.2	Low	82 Å²	82	84.9 Å²	84.9	31%	0.309	49%	0.489	S	S	.	.			trans	-77.6	144.6	177.5	-62.6	-167.2	-169.2	-178.2	5.5	112	T176 G180 L181 W794 D795	T176-R178 HydrophobicContact CG2-CG 4.43Å; T176-R178 PolarHBondContact O-N 3.45Å; R178-G180 PolarHBondContact O-N 2.96Å; R178-L181 HydrophobicContact CB-CB 4.44Å; R178-W794 PolarHBondContact NH2-O 3.16Å; R178-D795 IonicContact CZ-OD1 3.72Å; R178-D795 IonicContact NH1-OD1 2.72Å; R178-D795 PolarHBondContact NH1-OD1 3.19Å; R178-D795 IonicContact NH2-OD1 3.58Å
179	P	54.8	Low	59.1	Low	77 Å²	77	90.2 Å²	90.2	50%	0.5	53%	0.525	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	130.6	167.9	-17.9	30.6	0	0	0	111.2	L181	P179-L181 VanDerWaalsContact C-N 3.33Å; P179-L181 PolarHBondContact O-N 2.77Å; P179-L181 VanDerWaalsContact O-N 3.16Å
180	G	50.7	Low	56	Low	57 Å²	57	90.3 Å²	90.3	59%	0.588	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.1	-5.7	164.5	0	0	0	0	0	118.3	R178	R178-G180 PolarHBondContact O-N 2.96Å
181	L	50	Low	52.9	Low	116 Å²	116	92.1 Å²	92.1	61%	0.607	55%	0.545	S	S	*	.	P	Polyproline II helix	trans	-89.7	127.9	176.9	-163.1	67.2	0	0	0	111.2	R178 P179 R183	R178-L181 HydrophobicContact CB-CB 4.44Å; P179-L181 VanDerWaalsContact C-N 3.33Å; P179-L181 PolarHBondContact O-N 2.77Å; P179-L181 VanDerWaalsContact O-N 3.16Å; L181-R183 PolarHBondContact O-N 3.09Å
182	R	40.8	Very low	49.8	Very low	198 Å²	198	101.2 Å²	101.2	75%	0.747	58%	0.576	S	S	*	*	P	Polyproline II helix	trans	-60.4	126.7	173.3	-67.2	-172.8	-174.2	-165.5	-0.7	109.4	P184	R182-P184 WeakPolarHBondContact O-CD 3.48Å
183	R	40.8	Very low	46.9	Very low	101 Å²	101	105.9 Å²	105.9	38%	0.381	60%	0.597	S	S	.	*	P	Polyproline II helix	trans	-67.4	128	168.2	-77.5	-171.5	-151.4	-159.3	4.5	109.4	N88 L181 E293	N88-R183 PolarHBondContact ND2-NH2 3.5Å; N88-R183 PolarHBondContact OD1-NH2 3.14Å; N88-R183 VanDerWaalsContact OD1-NH2 3.15Å; L181-R183 PolarHBondContact O-N 3.09Å; R183-E293 PolarHBondContact NH2-O 2.94Å
184	P	32.9	Very low	43.8	Very low	111 Å²	111	110.2 Å²	110.2	72%	0.721	62%	0.617	S	S	*	*	P	Polyproline II helix	trans	-64.7	129.7	146.1	-10.5	27.7	0	0	0	107	R182 T186	R182-P184 WeakPolarHBondContact O-CD 3.48Å; P184-T186 PolarHBondContact O-N 2.94Å
185	G	30.7	Very low	41	Very low	82 Å²	82	116.5 Å²	116.5	85%	0.845	65%	0.645	S	S	*	*			trans	-51.1	110.7	-170.8	0	0	0	0	0	113.3
186	T	31.2	Very low	38.3	Very low	95 Å²	95	117 Å²	117	58%	0.583	65%	0.65	S	S	*	*			trans	-107.8	93.3	171	40.9	0	0	0	0	108.9	P184	P184-T186 PolarHBondContact O-N 2.94Å
187	S	28	Very low	35.9	Very low	105 Å²	105	119.9 Å²	119.9	73%	0.734	67%	0.673	S	S	*	*			trans	-69.3	142.3	152.6	50.3	0	0	0	0	108.4
188	L	30.8	Very low	33.8	Very low	157 Å²	157	125 Å²	125	82%	0.822	70%	0.704	S	S	*	*	S	Bend	trans	-45.5	155.7	163.1	-82.4	122.7	0	0	0	111	N190	L188-N190 PolarHBondContact O-N 3.29Å
189	P	25.6	Very low	31.6	Very low	124 Å²	124	130.6 Å²	130.6	81%	0.805	73%	0.73	S	S	*	*			trans	-60.8	103.9	-162.8	-7.5	17.5	0	0	0	111.1
190	N	25.8	Very low	30.4	Very low	147 Å²	147	132.8 Å²	132.8	79%	0.786	75%	0.747	S	S	*	*			trans	-110.1	120.9	155.4	-120	15.8	0	0	0	106.1	L188	L188-N190 PolarHBondContact O-N 3.29Å
191	P	25.1	Very low	28.9	Very low	113 Å²	113	139.6 Å²	139.6	73%	0.734	76%	0.761	S	S	*	*			trans	-74.3	140.3	-175.8	29.2	-31.4	0	0	0	110.2
192	R	23.1	Very low	27.9	Very low	241 Å²	241	140.7 Å²	140.7	91%	0.909	77%	0.772	S	S	*	*			trans	92.6	103.5	173.8	-55.9	170.6	166.6	179.7	-5.2	114.7
193	N	26.9	Very low	27.8	Very low	149 Å²	149	136.1 Å²	136.1	80%	0.797	77%	0.768	S	S	*	*				-175.6	125.3	84.4	-150.3	17.7	0	0	0	109.8
194	D	21.9	Very low	26.9	Very low	152 Å²	152	136.7 Å²	136.7	81%	0.813	79%	0.788	S	S	*	*			trans	-72.2	136	169.4	-84	-46.3	0	0	0	110.3
195	Q	27.4	Very low	26.7	Very low	169 Å²	169	137.1 Å²	137.1	79%	0.79	79%	0.793	S	S	*	*			trans	-166	93.8	147.7	-108.3	165.2	71	0	0	112.2
196	S	24.8	Very low	26.3	Very low	96 Å²	96	138 Å²	138	67%	0.671	79%	0.792	S	S	*	*				28.7	128.4	128.6	64.3	0	0	0	0	122.4
197	S	23.8	Very low	26.2	Very low	113 Å²	113	139.1 Å²	139.1	79%	0.79	80%	0.804	S	S	*	*			trans	75.6	142.2	138.5	-43.6	0	0	0	0	116.9
198	V	27.9	Very low	26.2	Very low	139 Å²	139	138.7 Å²	138.7	84%	0.842	80%	0.801	S	S	*	*			cis	-156.4	148.3	38.7	166.5	0	0	0	0	109.7
199	K	21	Very low	25.9	Very low	201 Å²	201	136 Å²	136	87%	0.874	80%	0.802	S	S	*	*			trans	-70	139	171.2	-71.5	167.8	172.3	170.3	0	112.7
200	S	28.4	Very low	26	Very low	122 Å²	122	139.6 Å²	139.6	85%	0.853	80%	0.8	S	S	*	*			trans	-138.3	114	153.1	50.4	0	0	0	0	111.2
201	K	20.5	Very low	26.1	Very low	201 Å²	201	138.5 Å²	138.5	87%	0.874	80%	0.801	S	S	*	*			trans	-77.9	145.4	156.2	-73.9	174.3	169.8	-177.9	0	107.4
202	V	27.8	Very low	26.2	Very low	139 Å²	139	139.8 Å²	139.8	84%	0.842	81%	0.808	S	S	*	*				-179.9	175.7	113.3	-143.3	0	0	0	0	108.3
203	P	38.5	Very low	26.4	Very low	102 Å²	102	134.6 Å²	134.6	66%	0.662	80%	0.802	S	S	*	*				-119.2	166.3	-101.2	39.9	-22.4	0	0	0	116.2
204	S	22.9	Very low	26.5	Very low	113 Å²	113	135.6 Å²	135.6	79%	0.79	81%	0.807	S	S	*	*			trans	-29.9	128.7	156.2	45.5	0	0	0	0	116.7
205	S	27.9	Very low	26.8	Very low	120 Å²	120	131.1 Å²	131.1	84%	0.839	80%	0.797	S	S	*	*			trans	-122.8	120.8	154.3	-65.9	0	0	0	0	108.5
206	A	24	Very low	27	Very low	100 Å²	100	131.6 Å²	131.6	83%	0.826	80%	0.8	S	S	*	*			trans	-78.7	137.2	175.6	0	0	0	0	0	109.9
207	S	28	Very low	27.3	Very low	118 Å²	118	137 Å²	137	83%	0.825	81%	0.811	S	S	*	*			trans	-152.8	110.5	161.5	-53.2	0	0	0	0	111.1
208	S	27.7	Very low	28.1	Very low	97 Å²	97	137.7 Å²	137.7	68%	0.678	81%	0.805	S	S	*	*			trans	50	99.3	144.7	-144.4	0	0	0	0	119.9
209	A	24.7	Very low	29.2	Very low	101 Å²	101	134.3 Å²	134.3	84%	0.835	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-86.6	121.6	158.2	0	0	0	0	0	109.5
210	Y	27.3	Very low	30.5	Very low	198 Å²	198	126.1 Å²	126.1	78%	0.776	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-97.3	140	156.7	-78.3	-79.7	0	0	0	108.9	T212	Y210-T212 PolarHBondContact O-N 3.02Å
211	P	28	Very low	31.7	Very low	124 Å²	124	122.8 Å²	122.8	81%	0.805	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-81.9	120.3	-166.8	32.2	-30.9	0	0	0	109.9
212	T	28.4	Very low	33	Very low	141 Å²	141	117.3 Å²	117.3	87%	0.865	70%	0.699	S	S	*	*	P	Polyproline II helix	trans	-103.2	125.3	165.5	-10.1	0	0	0	0	108.5	Y210	Y210-T212 PolarHBondContact O-N 3.02Å
213	V	27.2	Very low	33.9	Very low	131 Å²	131	111.6 Å²	111.6	79%	0.794	66%	0.664	S	S	*	*	P	Polyproline II helix	trans	-46.1	134.5	178.4	172.8	0	0	0	0	111.6	G215	V213-G215 PolarHBondContact O-N 3.12Å
214	D	28.1	Very low	34	Very low	170 Å²	170	109.7 Å²	109.7	91%	0.909	65%	0.648	S	S	*	*			trans	-0.5	77.8	168.2	-68.9	-42.6	0	0	0	116.2
215	G	29.5	Very low	34.9	Very low	58 Å²	58	108.7 Å²	108.7	60%	0.598	63%	0.633	S	S	*	*			trans	-112.5	119.2	160.3	0	0	0	0	0	107.1	V213 K217	V213-G215 PolarHBondContact O-N 3.12Å; G215-K217 PolarHBondContact O-N 2.87Å; G215-K217 VanDerWaalsContact O-N 3.09Å
216	Q	29.8	Very low	35.6	Very low	180 Å²	180	105.4 Å²	105.4	84%	0.841	61%	0.611	S	S	*	*			trans	-42.7	124.4	168	-72.9	179.8	-32.4	0	0	108.4	I218	Q216-I218 PolarHBondContact O-N 2.92Å
217	K	32.3	Very low	36	Very low	210 Å²	210	107 Å²	107	91%	0.913	61%	0.605	S	S	*	*			trans	-60.9	90.4	174.3	-69.6	-178.4	-179.8	177.6	0	107.7	G215 N219	G215-K217 PolarHBondContact O-N 2.87Å; G215-K217 VanDerWaalsContact O-N 3.09Å; K217-N219 PolarHBondContact O-N 2.88Å
218	I	40.1	Very low	36.3	Very low	127 Å²	127	104.6 Å²	104.6	65%	0.651	59%	0.592	S	S	*	*			trans	-66	107.6	172.5	-65.5	172.1	0	0	0	104.9	Q216 P220	Q216-I218 PolarHBondContact O-N 2.92Å; I218-P220 WeakPolarHBondContact O-CD 3.5Å; I218-P220 VanDerWaalsContact O-N 3.15Å
219	N	50.1	Low	36.6	Very low	67 Å²	67	101.8 Å²	101.8	36%	0.358	58%	0.579	S	S	.	*			trans	-58.5	118.9	170	-179.2	-1	0	0	0	107.5	K217 Y221 N222	K217-N219 PolarHBondContact O-N 2.88Å; N219-Y221 PolarHBondContact O-N 3.4Å; N219-Y221 VanDerWaalsContact O-N 3.1Å; N219-Y221 WeakPolarHBondContact OD1-CB 3.3Å; N219-Y221 VanDerWaalsContact OD1-CD2 3.26Å; N219-Y221 WeakPolarHBondContact OD1-CD2 3.29Å; N219-Y221 PolarHBondContact OD1-N 3.28Å; N219-Y221 VanDerWaalsContact OD1-N 3.08Å; N219-N222 PolarHBondContact O-N 2.73Å
220	P	50.1	Low	36.6	Very low	30 Å²	30	102.8 Å²	102.8	20%	0.195	58%	0.575	C	S	.	*	T	Hydrogen-bonded Turn	trans	-61.2	-22.9	-179.1	24.9	-34.3	0	0	0	111.7	Q93 T96 Y101 I218	Q93-P220 PolarHBondContact NE2-O 3.06Å; T96-P220 HydrophobicContact CG2-CB 4.24Å; Y101-P220 HydrophobicContact CD1-CB 3.97Å; Y101-P220 HydrophobicContact CE1-CB 4.06Å; Y101-P220 WeakPolarHBondContact CE1-O 3.24Å; I218-P220 WeakPolarHBondContact O-CD 3.5Å; I218-P220 VanDerWaalsContact O-N 3.15Å
221	Y	53.3	Low	36.8	Very low	52 Å²	52	99.1 Å²	99.1	20%	0.204	57%	0.568	C	S	.	*	T	Hydrogen-bonded Turn	trans	-85.3	2.9	179.1	-53.1	-65.2	0	0	0	114.7	W84 R87 V89 Y101 N219 T223	W84-Y221 HydrophobicContact CE3-CE1 4.15Å; W84-Y221 AromaticContact CZ3-CE1 3.89Å; W84-Y221 HydrophobicContact CZ3-CE1 3.89Å; R87-Y221 PolarHBondContact NE-OH 2.94Å; R87-Y221 PolarHBondContact NH1-OH 3.39Å; R87-Y221 PolarHBondContact NH2-OH 2.63Å; V89-Y221 HydrophobicContact CG2-CD1 3.98Å; V89-Y221 HydrophobicContact CG2-CE1 4.46Å; Y101-Y221 HydrophobicContact CD1-CD1 4.31Å; Y101-Y221 HydrophobicContact CD1-CE1 4.08Å; Y101-Y221 PolarHBondContact O-OH 2.73Å; N219-Y221 PolarHBondContact O-N 3.4Å; N219-Y221 VanDerWaalsContact O-N 3.1Å; N219-Y221 WeakPolarHBondContact OD1-CB 3.3Å; N219-Y221 VanDerWaalsContact OD1-CD2 3.26Å; N219-Y221 WeakPolarHBondContact OD1-CD2 3.29Å; N219-Y221 PolarHBondContact OD1-N 3.28Å; N219-Y221 VanDerWaalsContact OD1-N 3.08Å; Y221-T223 PolarHBondContact O-N 3.16Å
222	N	47.2	Very low	36.8	Very low	86 Å²	86	100.1 Å²	100.1	46%	0.46	56%	0.563	S	S	.	*	P	Polyproline II helix	trans	-62.8	125.3	177.2	-89.8	4.6	0	0	0	110.7	N219 L224	N219-N222 PolarHBondContact O-N 2.73Å; N222-L224 PolarHBondContact O-N 3.37Å
223	T	46	Very low	36.8	Very low	19 Å²	19	102.5 Å²	102.5	12%	0.117	56%	0.556	C	S	.	*	P	Polyproline II helix	trans	-58.4	134	163.5	43.5	0	0	0	0	108.7	R137 Y221 N225	R137-T223 PolarHBondContact NE-OG1 3.26Å; R137-T223 PolarHBondContact NH2-O 2.93Å; R137-T223 PolarHBondContact NH2-OG1 3.06Å; Y221-T223 PolarHBondContact O-N 3.16Å; T223-N225 PolarHBondContact O-N 2.89Å
224	L	42.4	Very low	37.1	Very low	62 Å²	62	106.4 Å²	106.4	33%	0.325	56%	0.563	S	S	.	*	P	Polyproline II helix	trans	-51.8	125.8	178.5	-66.8	163.6	0	0	0	108.9	L92 N222 A228	L92-L224 HydrophobicContact CB-CD1 3.77Å; L92-L224 HydrophobicContact CB-CG 3.92Å; L92-L224 HydrophobicContact CD1-CD1 4.41Å; L92-L224 HydrophobicContact CD1-CG 4.45Å; N222-L224 PolarHBondContact O-N 3.37Å; L224-A228 HydrophobicContact CB-CB 4.36Å; L224-A228 HydrophobicContact CD2-CB 3.53Å; L224-A228 HydrophobicContact CG-CB 4.46Å
225	N	40.1	Very low	37.1	Very low	91 Å²	91	105.1 Å²	105.1	49%	0.487	55%	0.549	S	S	.	.	P	Polyproline II helix	trans	-60.6	146.7	160	-84.9	1.8	0	0	0	107.6	R137 T223 N227 A228	R137-N225 PolarHBondContact NH2-OD1 3.47Å; R137-N225 VanDerWaalsContact NH2-OD1 3.15Å; T223-N225 PolarHBondContact O-N 2.89Å; N225-N227 PolarHBondContact O-N 3.29Å; N225-A228 PolarHBondContact O-N 3.02Å
226	S	42.9	Very low	37.5	Very low	52 Å²	52	105.5 Å²	105.5	36%	0.364	54%	0.543	S	S	.	.	T	Hydrogen-bonded Turn	trans	-45.8	-10	-170.9	45.9	0	0	0	0	117.7
227	N	32.9	Very low	37.8	Very low	132 Å²	132	103.4 Å²	103.4	71%	0.706	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.4	-12.6	178.4	-68.5	-2.6	0	0	0	115.2	N225	N225-N227 PolarHBondContact O-N 3.29Å
228	A	34	Very low	37.9	Very low	68 Å²	68	101.6 Å²	101.6	56%	0.562	54%	0.538	S	S	*	.	S	Bend	trans	-100.6	-7.7	-173.1	0	0	0	0	0	114.6	L224 N225	L224-A228 HydrophobicContact CB-CB 4.36Å; L224-A228 HydrophobicContact CD2-CB 3.53Å; L224-A228 HydrophobicContact CG-CB 4.46Å; N225-A228 PolarHBondContact O-N 3.02Å
229	G	34	Very low	37.9	Very low	39 Å²	39	99 Å²	99	40%	0.402	53%	0.531	S	S	.	.	S	Bend	trans	-95.4	104.3	160.7	0	0	0	0	0	107.6	I231	G229-I231 PolarHBondContact O-N 3.46Å
230	T	25.7	Very low	37.3	Very low	121 Å²	121	103.7 Å²	103.7	74%	0.742	56%	0.555	S	S	*	*			trans	-1.6	94.8	166.1	-50	0	0	0	0	114.3	M232	T230-M232 PolarHBondContact O-N 3.19Å
231	I	30.1	Very low	36.8	Very low	122 Å²	122	109.4 Å²	109.4	63%	0.626	58%	0.584	S	S	*	*	S	Bend	trans	-49.8	130.6	147.6	-66	167.1	0	0	0	105.4	G229	G229-I231 PolarHBondContact O-N 3.46Å
232	M	29.1	Very low	36.6	Very low	145 Å²	145	114.8 Å²	114.8	71%	0.714	61%	0.611	S	S	*	*			trans	85.1	90	-179.5	-42.1	-57.4	-106.7	0	0	115.9	T230	T230-M232 PolarHBondContact O-N 3.19Å
233	R	27.5	Very low	36.8	Very low	190 Å²	190	119.1 Å²	119.1	72%	0.717	63%	0.629	S	S	*	*				-153.9	90.5	111.1	-72.4	-152.8	-176.4	124.7	0.6	109.5	K235	R233-K235 VanDerWaalsContact CD-O 3.29Å; R233-K235 WeakPolarHBondContact CD-O 3.39Å; R233-K235 PolarHBondContact O-N 3.21Å
234	F	34.7	Very low	37.5	Very low	213 Å²	213	129.3 Å²	129.3	93%	0.934	67%	0.665	S	S	*	*	S	Bend	trans	-63.6	28.8	146.6	-84.7	-79.7	0	0	0	111.8
235	K	27.2	Very low	38.8	Very low	143 Å²	143	127.8 Å²	127.8	62%	0.622	66%	0.658	S	S	*	*			trans	-153.6	56.2	-174.1	-65.1	-166.2	176.8	-169.3	0	107.9	R233 D237	R233-K235 VanDerWaalsContact CD-O 3.29Å; R233-K235 WeakPolarHBondContact CD-O 3.39Å; R233-K235 PolarHBondContact O-N 3.21Å; K235-D237 VanDerWaalsContact C-N 3.34Å; K235-D237 PolarHBondContact O-N 3.44Å
236	S	37.2	Very low	40.6	Very low	66 Å²	66	128.4 Å²	128.4	46%	0.462	66%	0.661	S	S	.	*			trans	-64	114.4	134.6	43.6	0	0	0	0	104	N238	S236-N238 PolarHBondContact O-N 3.37Å
237	D	36	Very low	42.3	Very low	137 Å²	137	130 Å²	130	73%	0.733	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.3	48.5	-172.9	-76.2	-41.4	0	0	0	112.7	K235	K235-D237 VanDerWaalsContact C-N 3.34Å; K235-D237 PolarHBondContact O-N 3.44Å
238	N	35.4	Very low	44.6	Very low	171 Å²	171	126.4 Å²	126.4	91%	0.914	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-153.8	16.4	170.1	-108.7	7.8	0	0	0	115.2	S236	S236-N238 PolarHBondContact O-N 3.37Å
239	S	40.3	Very low	47.1	Very low	74 Å²	74	130.1 Å²	130.1	52%	0.517	65%	0.65	S	S	.	*			trans	-135.1	71.4	167.6	-169.5	0	0	0	0	110.6	D241	S239-D241 VanDerWaalsContact C-N 3.31Å
240	L	36.5	Very low	49.5	Very low	164 Å²	164	129.8 Å²	129.8	86%	0.859	64%	0.637	S	S	*	*	S	Bend	trans	-86.7	2.4	169.8	-100.8	163.7	0	0	0	112.9
241	D	39.4	Very low	52.3	Low	151 Å²	151	125 Å²	125	81%	0.807	61%	0.609	S	S	*	*			trans	-131.8	16.2	-170.6	-71.1	-36	0	0	0	115.5	S239 E243	S239-D241 VanDerWaalsContact C-N 3.31Å; D241-E243 PolarHBondContact O-N 2.99Å
242	Q	49.4	Very low	54.9	Low	165 Å²	165	121.2 Å²	121.2	77%	0.771	59%	0.591	S	S	*	*			trans	-78.2	96.5	162.9	-154.7	75	44.4	0	0	107.5	R244	Q242-R244 PolarHBondContact O-N 3.29Å
243	E	52.3	Low	57.6	Low	177 Å²	177	114.8 Å²	114.8	83%	0.827	56%	0.56	S	S	*	*			trans	-39.5	123.9	169.9	-69.7	-180	160.1	0	0	109.1	D241 V245	D241-E243 PolarHBondContact O-N 2.99Å; E243-V245 PolarHBondContact O-N 3.05Å
244	R	60.6	Low	60.3	Low	233 Å²	233	109.6 Å²	109.6	88%	0.879	55%	0.553	S	S	*	*			trans	-48.5	137.2	173.1	-79.8	-173.7	178.3	167.2	-0.1	108.6	Q242 D246	Q242-R244 PolarHBondContact O-N 3.29Å; R244-D246 PolarHBondContact O-N 3.18Å; R244-D246 VanDerWaalsContact O-N 3.1Å
245	V	69.1	Low	62.7	Low	29 Å²	29	101.6 Å²	101.6	18%	0.176	52%	0.52	C	S	.	.			trans	-58.7	120.5	179.7	179.1	0	0	0	0	108.5	L128 L130 E148 E243 F247 Y250	L128-V245 HydrophobicContact CD2-CG1 4.3Å; L130-V245 HydrophobicContact CD2-CG2 4.18Å; E148-V245 HydrophobicContact CG-CB 4.14Å; E148-V245 HydrophobicContact CG-CG2 3.86Å; E148-V245 WeakPolarHBondContact OE1-CG2 3.46Å; E148-V245 PolarHBondContact OE1-N 3.14Å; E243-V245 PolarHBondContact O-N 3.05Å; V245-F247 PolarHBondContact O-N 3.13Å; V245-Y250 HydrophobicContact CG1-CD2 4.2Å; V245-Y250 HydrophobicContact CG1-CE2 3.4Å
246	D	79.1	Confident	65.8	Low	104 Å²	104	97 Å²	97	56%	0.556	50%	0.498	S	S	*	.			trans	-69.5	82.5	170.9	-179.8	14.7	0	0	0	109.1	R244 A248 R249	R244-D246 PolarHBondContact O-N 3.18Å; R244-D246 VanDerWaalsContact O-N 3.1Å; D246-A248 PolarHBondContact O-N 3.06Å; D246-A248 PolarHBondContact OD1-N 3.39Å; D246-R249 WeakPolarHBondContact O-CB 3.08Å; D246-R249 PolarHBondContact O-N 2.99Å
247	F	78.8	Confident	68.4	Low	86 Å²	86	96 Å²	96	38%	0.377	48%	0.484	S	S	.	.	G	3₁₀ helix	trans	-60.6	-27.9	-173.5	61	-94.8	0	0	0	112.3	N150 V245 R249 Y250 V333	N150-F247 HydrophobicContact CB-CD2 3.96Å; N150-F247 HydrophobicContact CB-CE2 4.23Å; N150-F247 HydrophobicContact CB-CG 4.16Å; V245-F247 PolarHBondContact O-N 3.13Å; F247-R249 PolarHBondContact O-N 3.39Å; F247-Y250 PolarHBondContact O-N 2.89Å; F247-V333 HydrophobicContact CD2-CG2 3.98Å
248	A	80.8	Confident	71.2	Confident	56 Å²	56	92 Å²	92	46%	0.463	47%	0.467	S	S	.	.	G	3₁₀ helix	trans	-62.4	-33.5	-178.7	0	0	0	0	0	111.7	D246 Y250 A251	D246-A248 PolarHBondContact O-N 3.06Å; D246-A248 PolarHBondContact OD1-N 3.39Å; A248-Y250 PolarHBondContact O-N 3.21Å; A248-A251 PolarHBondContact O-N 2.94Å
249	R	85	Confident	74.1	Confident	147 Å²	147	83.9 Å²	83.9	56%	0.555	42%	0.424	S	S	*	.	G	3₁₀ helix	trans	-58.7	-31.5	174.7	-175.6	-179	172.7	-179.2	-0.1	112.7	D246 F247 A251 D252 L255	D246-R249 WeakPolarHBondContact O-CB 3.08Å; D246-R249 PolarHBondContact O-N 2.99Å; F247-R249 PolarHBondContact O-N 3.39Å; R249-A251 PolarHBondContact O-N 3.47Å; R249-D252 WeakPolarHBondContact O-CB 3.45Å; R249-D252 PolarHBondContact O-N 2.76Å; R249-L255 HydrophobicContact CG-CD1 4.14Å; R249-L255 VanDerWaalsContact O-CD1 3.26Å; R249-L255 WeakPolarHBondContact O-CD1 3.46Å
250	Y	85.2	Confident	76.6	Confident	31 Å²	31	87.6 Å²	87.6	12%	0.122	43%	0.43	C	S	.	.	G	3₁₀ helix	trans	-82.5	4.7	178.9	-56.9	-82	0	0	0	113.6	L122 T126 L128 L149 V245 F247 A248 L255 H336 Q337	L122-Y250 HydrophobicContact CD1-CD1 3.51Å; L122-Y250 HydrophobicContact CD1-CE1 4.18Å; L122-Y250 HydrophobicContact CD1-CG 3.94Å; T126-Y250 HydrophobicContact CG2-CD1 3.88Å; T126-Y250 HydrophobicContact CG2-CE1 3.79Å; L128-Y250 HydrophobicContact CB-CE1 4.45Å; L128-Y250 WeakPolarHBondContact CD1-OH 3.33Å; L128-Y250 HydrophobicContact CD2-CE1 4.46Å; L128-Y250 HydrophobicContact CD2-CE2 4.46Å; L149-Y250 HydrophobicContact CD2-CD2 4.37Å; V245-Y250 HydrophobicContact CG1-CD2 4.2Å; V245-Y250 HydrophobicContact CG1-CE2 3.4Å; F247-Y250 PolarHBondContact O-N 2.89Å; A248-Y250 PolarHBondContact O-N 3.21Å; Y250-L255 HydrophobicContact CD1-CD1 4.5Å; Y250-H336 PolarHBondContact O-CD2 3.04Å; Y250-H336 PolarHBondContact O-NE2 2.96Å; Y250-Q337 PolarHBondContact O-NE2 3.47Å
251	A	85.5	Confident	79.4	Confident	20 Å²	20	81.5 Å²	81.5	17%	0.165	40%	0.404	C	S	.	.	G	3₁₀ helix	trans	-98.8	0.5	168.7	0	0	0	0	0	113	A248 R249 V333 H336 K715	A248-A251 PolarHBondContact O-N 2.94Å; R249-A251 PolarHBondContact O-N 3.47Å; A251-V333 HydrophobicContact CB-CG2 4.27Å; A251-H336 HydrophobicContact CB-CB 4.25Å; A251-H336 PolarHBondContact O-ND1 2.79Å; A251-K715 PolarHBondContact O-NZ 3.35Å
252	D	83.4	Confident	82.1	Confident	44 Å²	44	74.3 Å²	74.3	24%	0.235	37%	0.366	C	S	.	.			trans	-91.1	133.7	-173.8	-170.9	-2.3	0	0	0	112.6	R249 S254 S372	R249-D252 WeakPolarHBondContact O-CB 3.45Å; R249-D252 PolarHBondContact O-N 2.76Å; D252-S254 PolarHBondContact O-N 3.46Å; D252-S254 PolarHBondContact OD1-N 2.78Å; D252-S254 PolarHBondContact OD1-OG 2.87Å; D252-S254 WeakPolarHBondContact OD2-CB 3.36Å; D252-S254 PolarHBondContact OD2-OG 2.77Å; D252-S372 PolarHBondContact OD1-OG 3.35Å
253	C	85.3	Confident	84.2	Confident	10 Å²	10	68.1 Å²	68.1	7%	0.068	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-69.1	-17.4	174.6	-69.2	0	0	0	0	112.9	L255 R256 K715	C253-L255 PolarHBondContact O-N 3.14Å; C253-R256 WeakPolarHBondContact O-CB 3.4Å; C253-R256 PolarHBondContact O-N 2.6Å; C253-R256 VanDerWaalsContact O-N 3.08Å; C253-R256 PolarHBondContact SG-NH2 3.13Å; C253-R256 VanDerWaalsContact SG-NH2 3.37Å; C253-K715 WeakPolarHBondContact SG-CE 3.39Å
254	S	84.9	Confident	86.2	Confident	81 Å²	81	63 Å²	63	57%	0.566	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-62.9	-23.5	179.5	73.5	0	0	0	0	114.1	D252 R256	D252-S254 PolarHBondContact O-N 3.46Å; D252-S254 PolarHBondContact OD1-N 2.78Å; D252-S254 PolarHBondContact OD1-OG 2.87Å; D252-S254 WeakPolarHBondContact OD2-CB 3.36Å; D252-S254 PolarHBondContact OD2-OG 2.77Å; S254-R256 PolarHBondContact O-N 3.26Å
255	L	86.4	Confident	87.7	Confident	45 Å²	45	54.3 Å²	54.3	24%	0.236	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-79.5	-3.5	176.6	-61.6	-178.1	0	0	0	113.7	T126 R249 Y250 C253 R257	T126-L255 HydrophobicContact CG2-CD1 4.15Å; R249-L255 HydrophobicContact CG-CD1 4.14Å; R249-L255 VanDerWaalsContact O-CD1 3.26Å; R249-L255 WeakPolarHBondContact O-CD1 3.46Å; Y250-L255 HydrophobicContact CD1-CD1 4.5Å; C253-L255 PolarHBondContact O-N 3.14Å; L255-R257 PolarHBondContact O-N 3.36Å
256	R	92	Very high	88.7	Confident	47 Å²	47	54.9 Å²	54.9	18%	0.177	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-63.5	131.4	-175.3	-178.6	175	-60.8	166.2	2.4	111.7	C253 S254 Y339 E340 R343 E369	C253-R256 WeakPolarHBondContact O-CB 3.4Å; C253-R256 PolarHBondContact O-N 2.6Å; C253-R256 VanDerWaalsContact O-N 3.08Å; C253-R256 PolarHBondContact SG-NH2 3.13Å; C253-R256 VanDerWaalsContact SG-NH2 3.37Å; S254-R256 PolarHBondContact O-N 3.26Å; R256-Y339 PolarHBondContact NH1-OH 3.36Å; R256-Y339 PolarHBondContact NH2-OH 3.07Å; R256-E340 IonicContact CZ-OE1 2.82Å; R256-E340 IonicContact NE-OE1 3.25Å; R256-E340 PolarHBondContact NE-OE1 2.96Å; R256-E340 IonicContact NH2-OE1 2.73Å; R256-E340 PolarHBondContact NH2-OE1 3.48Å; R256-R343 VanDerWaalsContact NE-NH1 3.14Å; R256-E369 IonicContact CZ-OE1 3.6Å; R256-E369 IonicContact NH1-OE1 3.75Å; R256-E369 PolarHBondContact NH1-OE1 2.93Å
257	R	92.1	Very high	89.3	Confident	45 Å²	45	50.5 Å²	50.5	17%	0.17	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-84.3	145.1	170.3	-62.5	176.5	-179	-82.5	-0.4	110.3	L125 L255 V262 W344 A414	L125-R257 PolarHBondContact O-NE 2.87Å; L255-R257 PolarHBondContact O-N 3.36Å; R257-V262 HydrophobicContact CB-CG2 3.62Å; R257-W344 WeakPolarHBondContact O-CH2 3.3Å; R257-A414 PolarHBondContact NH1-O 2.79Å
258	S	94.4	Very high	90.1	Very high	52 Å²	52	48 Å²	48	36%	0.364	27%	0.266	S	S	.	.	P	Polyproline II helix	trans	-62.8	141	170.1	70.6	0	0	0	0	110.9	K260 A261 V262 D679	S258-K260 PolarHBondContact O-N 2.82Å; S258-A261 PolarHBondContact O-N 3.46Å; S258-A261 VanDerWaalsContact O-N 3.13Å; S258-A261 VanDerWaalsContact OG-CB 3.28Å; S258-A261 WeakPolarHBondContact OG-CB 3.28Å; S258-A261 PolarHBondContact OG-N 3.3Å; S258-V262 WeakPolarHBondContact O-CG2 3.49Å; S258-V262 PolarHBondContact O-N 2.82Å; S258-D679 WeakPolarHBondContact CA-OD1 3.36Å
259	A	95	Very high	90.7	Very high	1 Å²	1	46 Å²	46	1%	0.008	25%	0.248	C	C	.	.	H	α-helix	trans	-56	-40.5	175.8	0	0	0	0	0	111.6	A261 V262 F263 W344 L347 T678 D679	A259-A261 VanDerWaalsContact C-N 3.34Å; A259-A261 PolarHBondContact O-N 2.7Å; A259-V262 PolarHBondContact O-N 3.16Å; A259-F263 HydrophobicContact CB-CD2 4.26Å; A259-F263 HydrophobicContact CB-CE2 4.07Å; A259-F263 WeakPolarHBondContact O-CD2 3.26Å; A259-F263 PolarHBondContact O-N 2.73Å; A259-W344 HydrophobicContact CB-CZ3 4.2Å; A259-L347 HydrophobicContact CB-CD1 4.3Å; A259-T678 WeakPolarHBondContact CB-O 3.45Å; A259-D679 WeakPolarHBondContact CB-OD1 3.31Å; A259-D679 PolarHBondContact N-OD1 3.18Å
260	K	94.1	Very high	91	Very high	151 Å²	151	42.5 Å²	42.5	66%	0.657	24%	0.236	S	C	*	.	H	α-helix	trans	-56.8	-46.6	176.5	-172.2	178.4	180	-178.7	0	111.9	S258 A264	S258-K260 PolarHBondContact O-N 2.82Å; K260-A264 WeakPolarHBondContact O-CB 3.06Å; K260-A264 PolarHBondContact O-N 3.25Å
261	A	94.3	Very high	91.5	Very high	37 Å²	37	41.7 Å²	41.7	31%	0.306	24%	0.235	S	C	.	.	H	α-helix	trans	-66.3	-48.1	176.9	0	0	0	0	0	111.6	S258 A259 F263 A264 D265	S258-A261 PolarHBondContact O-N 3.46Å; S258-A261 VanDerWaalsContact O-N 3.13Å; S258-A261 VanDerWaalsContact OG-CB 3.28Å; S258-A261 WeakPolarHBondContact OG-CB 3.28Å; S258-A261 PolarHBondContact OG-N 3.3Å; A259-A261 VanDerWaalsContact C-N 3.34Å; A259-A261 PolarHBondContact O-N 2.7Å; A261-F263 VanDerWaalsContact C-N 3.33Å; A261-F263 PolarHBondContact O-N 3.39Å; A261-A264 PolarHBondContact O-N 3.37Å; A261-D265 VanDerWaalsContact O-CB 3.29Å; A261-D265 WeakPolarHBondContact O-CB 3.41Å; A261-D265 PolarHBondContact O-N 2.84Å
262	V	95.6	Very high	91.7	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-54.5	-46.5	-179.6	165.9	0	0	0	0	112.1	L125 R257 S258 A259 S266 W267 L268 W344	L125-V262 HydrophobicContact CD1-CB 4.29Å; L125-V262 HydrophobicContact CD1-CG1 3.51Å; L125-V262 HydrophobicContact CD1-CG2 3.71Å; R257-V262 HydrophobicContact CB-CG2 3.62Å; S258-V262 WeakPolarHBondContact O-CG2 3.49Å; S258-V262 PolarHBondContact O-N 2.82Å; A259-V262 PolarHBondContact O-N 3.16Å; V262-S266 PolarHBondContact O-N 2.78Å; V262-W267 HydrophobicContact CG1-CB 4.05Å; V262-W267 PolarHBondContact O-N 2.84Å; V262-L268 HydrophobicContact CG1-CB 4.02Å; V262-L268 HydrophobicContact CG1-CD1 4.02Å; V262-L268 HydrophobicContact CG1-CG 4.01Å; V262-W344 HydrophobicContact CB-CH2 4.3Å; V262-W344 HydrophobicContact CB-CZ3 4.32Å; V262-W344 HydrophobicContact CG1-CE3 4.46Å; V262-W344 HydrophobicContact CG1-CH2 4.46Å; V262-W344 HydrophobicContact CG1-CZ3 4.19Å; V262-W344 HydrophobicContact CG2-CH2 3.74Å; V262-W344 HydrophobicContact CG2-CZ2 4.16Å; V262-W344 HydrophobicContact CG2-CZ3 4.24Å
263	F	94.7	Very high	92.1	Very high	35 Å²	35	51.1 Å²	51.1	15%	0.154	27%	0.273	C	S	.	.	H	α-helix	trans	-79.8	-30	-179.6	-64.3	-58.9	0	0	0	113.4	A259 A261 L268 K270 L347	A259-F263 HydrophobicContact CB-CD2 4.26Å; A259-F263 HydrophobicContact CB-CE2 4.07Å; A259-F263 WeakPolarHBondContact O-CD2 3.26Å; A259-F263 PolarHBondContact O-N 2.73Å; A261-F263 VanDerWaalsContact C-N 3.33Å; A261-F263 PolarHBondContact O-N 3.39Å; F263-L268 HydrophobicContact CD1-CB 4.32Å; F263-L268 HydrophobicContact CE1-CB 3.99Å; F263-K270 HydrophobicContact CD1-CD 4.32Å; F263-K270 HydrophobicContact CD1-CG 3.88Å; F263-K270 VanDerWaalsContact CD2-CE 3.46Å; F263-K270 HydrophobicContact CE1-CD 4.43Å; F263-K270 HydrophobicContact CE1-CG 3.79Å; F263-K270 VanDerWaalsContact CE2-CE 3.47Å; F263-K270 HydrophobicContact CG-CD 4.46Å; F263-K270 HydrophobicContact CG-CG 4.5Å; F263-K270 HydrophobicContact CZ-CG 4.34Å; F263-L347 HydrophobicContact CE2-CB 4.38Å; F263-L347 HydrophobicContact CZ-CB 4.31Å
264	A	93.3	Very high	92.5	Very high	69 Å²	69	51.6 Å²	51.6	57%	0.57	28%	0.275	S	S	*	.	H	α-helix	trans	-67	-48.5	174	0	0	0	0	0	111	K260 A261 S266	K260-A264 WeakPolarHBondContact O-CB 3.06Å; K260-A264 PolarHBondContact O-N 3.25Å; A261-A264 PolarHBondContact O-N 3.37Å; A264-S266 PolarHBondContact O-N 2.76Å
265	D	91.8	Very high	92.9	Very high	51 Å²	51	49.6 Å²	49.6	27%	0.273	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	4.9	-178.6	-66.6	-12.9	0	0	0	112.8	A261 W267 S417	A261-D265 VanDerWaalsContact O-CB 3.29Å; A261-D265 WeakPolarHBondContact O-CB 3.41Å; A261-D265 PolarHBondContact O-N 2.84Å; D265-W267 PolarHBondContact O-N 2.85Å; D265-S417 PolarHBondContact O-OG 2.87Å
266	S	91.6	Very high	93.3	Very high	40 Å²	40	49.1 Å²	49.1	28%	0.28	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.3	27.1	171.8	-58.6	0	0	0	0	114.7	K165 V262 A264 L268 M269	K165-S266 VanDerWaalsContact CE-OG 3.31Å; K165-S266 WeakPolarHBondContact CE-OG 3.33Å; K165-S266 PolarHBondContact NZ-OG 2.77Å; K165-S266 VanDerWaalsContact NZ-OG 3.1Å; V262-S266 PolarHBondContact O-N 2.78Å; A264-S266 PolarHBondContact O-N 2.76Å; S266-L268 VanDerWaalsContact C-N 3.28Å; S266-L268 PolarHBondContact O-N 2.84Å; S266-M269 WeakPolarHBondContact O-CE 3.47Å
267	W	91.8	Very high	93.5	Very high	12 Å²	12	48 Å²	48	5%	0.045	25%	0.252	C	S	.	.	S	Bend	trans	-63.1	-38	171.1	-76.5	75.4	0	0	0	111.6	V121 L125 P127 V262 D265 Y315 S416 P418	V121-W267 HydrophobicContact CB-CZ3 4.43Å; V121-W267 HydrophobicContact CG1-CE3 4.06Å; V121-W267 HydrophobicContact CG1-CZ3 3.68Å; V121-W267 HydrophobicContact CG2-CZ3 3.82Å; L125-W267 HydrophobicContact CB-CE3 4.36Å; P127-W267 HydrophobicContact CB-CH2 4.41Å; P127-W267 HydrophobicContact CG-CH2 4.18Å; V262-W267 HydrophobicContact CG1-CB 4.05Å; V262-W267 PolarHBondContact O-N 2.84Å; D265-W267 PolarHBondContact O-N 2.85Å; W267-Y315 PolarHBondContact O-OH 2.87Å; W267-S416 VanDerWaalsContact CE2-O 3.29Å; W267-S416 WeakPolarHBondContact CZ2-O 3.32Å; W267-S416 PolarHBondContact NE1-O 2.86Å; W267-P418 HydrophobicContact CD2-CG 4.47Å
268	L	94.4	Very high	93.7	Very high	34 Å²	34	45.8 Å²	45.8	18%	0.178	24%	0.244	C	C	.	.	S	Bend	trans	-129.9	153.5	175.5	-67.7	-179.1	0	0	0	110.7	L125 V262 F263 S266 W344	L125-L268 HydrophobicContact CD1-CD1 3.75Å; L125-L268 HydrophobicContact CD1-CG 4.01Å; L125-L268 HydrophobicContact CD2-CD1 4.32Å; L125-L268 HydrophobicContact CD2-CD2 4.16Å; L125-L268 HydrophobicContact CD2-CG 4.13Å; V262-L268 HydrophobicContact CG1-CB 4.02Å; V262-L268 HydrophobicContact CG1-CD1 4.02Å; V262-L268 HydrophobicContact CG1-CG 4.01Å; F263-L268 HydrophobicContact CD1-CB 4.32Å; F263-L268 HydrophobicContact CE1-CB 3.99Å; S266-L268 VanDerWaalsContact C-N 3.28Å; S266-L268 PolarHBondContact O-N 2.84Å; L268-W344 HydrophobicContact CD1-CB 3.68Å; L268-W344 HydrophobicContact CD1-CD2 3.94Å; L268-W344 HydrophobicContact CD1-CE3 4.07Å; L268-W344 HydrophobicContact CD1-CG 3.77Å
269	M	93	Very high	93.7	Very high	15 Å²	15	45 Å²	45	7%	0.074	23%	0.233	C	C	.	.			trans	-107	147.2	177.4	-60.9	-60.2	119.5	0	0	112	I163 K165 L168 S266 P271 L280	I163-M269 HydrophobicContact CG2-CG 4.45Å; K165-M269 HydrophobicContact CG-CE 4.38Å; K165-M269 HydrophobicContact CG-SD 3.57Å; K165-M269 VanDerWaalsContact CG-SD 3.57Å; L168-M269 HydrophobicContact CD1-CB 3.46Å; L168-M269 VanDerWaalsContact CD1-CB 3.46Å; L168-M269 HydrophobicContact CD1-CG 3.76Å; L168-M269 HydrophobicContact CG-CG 4.48Å; S266-M269 WeakPolarHBondContact O-CE 3.47Å; M269-P271 WeakPolarHBondContact O-CD 3.46Å; M269-L280 HydrophobicContact CB-CD2 4.26Å
270	K	93.3	Very high	93.7	Very high	73 Å²	73	46.2 Å²	46.2	32%	0.317	24%	0.24	S	C	.	.			trans	-97.1	103.4	170.7	-69.1	-176.3	170	173.7	0	109.7	F263 D683	F263-K270 HydrophobicContact CD1-CD 4.32Å; F263-K270 HydrophobicContact CD1-CG 3.88Å; F263-K270 VanDerWaalsContact CD2-CE 3.46Å; F263-K270 HydrophobicContact CE1-CD 4.43Å; F263-K270 HydrophobicContact CE1-CG 3.79Å; F263-K270 VanDerWaalsContact CE2-CE 3.47Å; F263-K270 HydrophobicContact CG-CD 4.46Å; F263-K270 HydrophobicContact CG-CG 4.5Å; F263-K270 HydrophobicContact CZ-CG 4.34Å; K270-D683 IonicContact NZ-OD1 2.98Å; K270-D683 IonicContact NZ-OD2 2.84Å; K270-D683 PolarHBondContact NZ-OD2 3.27Å
271	P	94.1	Very high	93.8	Very high	13 Å²	13	40 Å²	40	8%	0.084	21%	0.213	C	C	.	.			trans	-68.7	136.9	175	30.7	-36.3	0	0	0	110.8	M269 Q276 K277 L280 Q350	M269-P271 WeakPolarHBondContact O-CD 3.46Å; P271-Q276 HydrophobicContact CB-CB 3.86Å; P271-K277 HydrophobicContact CB-CG 3.77Å; P271-K277 HydrophobicContact CG-CG 3.82Å; P271-L280 HydrophobicContact CB-CD1 4.1Å; P271-L280 HydrophobicContact CG-CD1 3.83Å; P271-Q350 HydrophobicContact CG-CG 3.88Å
272	K	91.2	Very high	93.8	Very high	185 Å²	185	38.2 Å²	38.2	80%	0.804	20%	0.199	S	C	*	.			trans	-90.9	-25.2	-178.8	-63.4	-178	-179.5	-176.9	0	114.2
273	N	91.8	Very high	93.8	Very high	77 Å²	77	38.2 Å²	38.2	41%	0.412	20%	0.199	S	C	.	.	S	Bend	trans	-153.2	175	-175	60.8	17.5	0	0	0	110.3	V275 Q276 K277	N273-V275 VanDerWaalsContact C-N 3.3Å; N273-V275 PolarHBondContact O-N 3.37Å; N273-V275 PolarHBondContact OD1-N 2.95Å; N273-Q276 PolarHBondContact O-N 3.26Å; N273-Q276 VanDerWaalsContact O-N 3.15Å; N273-Q276 WeakPolarHBondContact OD1-CG 3.47Å; N273-Q276 PolarHBondContact OD1-N 3.14Å; N273-K277 PolarHBondContact O-N 3.5Å
274	L	92.3	Very high	93.9	Very high	20 Å²	20	37.6 Å²	37.6	11%	0.105	20%	0.196	C	C	.	.	H	α-helix	trans	-61.4	-36	-178.4	-73.7	165.1	0	0	0	113.4	Q276 K277 A278 Y732 I760 V771 S772	L274-Q276 VanDerWaalsContact C-N 3.31Å; L274-Q276 PolarHBondContact O-N 3.34Å; L274-K277 HydrophobicContact CD2-CD 4.28Å; L274-K277 WeakPolarHBondContact O-CB 3.19Å; L274-K277 PolarHBondContact O-N 2.98Å; L274-K277 VanDerWaalsContact O-N 3.14Å; L274-A278 PolarHBondContact O-N 3Å; L274-Y732 HydrophobicContact CD2-CD1 4.04Å; L274-Y732 HydrophobicContact CD2-CD2 4.43Å; L274-Y732 HydrophobicContact CD2-CE1 3.59Å; L274-Y732 HydrophobicContact CD2-CE2 4.03Å; L274-Y732 HydrophobicContact CD2-CG 4.43Å; L274-I760 HydrophobicContact CB-CD1 3.84Å; L274-V771 HydrophobicContact CD1-CG1 4.16Å; L274-S772 WeakPolarHBondContact CD1-O 3.37Å
275	V	94.2	Very high	94.1	Very high	40 Å²	40	34.5 Å²	34.5	24%	0.242	17%	0.17	C	C	.	.	H	α-helix	trans	-57.5	-45.2	174.7	176.4	0	0	0	0	110.7	N273 A278 R279 I734 I760	N273-V275 VanDerWaalsContact C-N 3.3Å; N273-V275 PolarHBondContact O-N 3.37Å; N273-V275 PolarHBondContact OD1-N 2.95Å; V275-A278 PolarHBondContact O-N 3.48Å; V275-R279 WeakPolarHBondContact O-CG 3.26Å; V275-R279 PolarHBondContact O-N 2.72Å; V275-R279 VanDerWaalsContact O-N 3.12Å; V275-I734 HydrophobicContact CG1-CD1 3.67Å; V275-I760 HydrophobicContact CG2-CD1 4Å
276	Q	95	Very high	94.2	Very high	35 Å²	35	33.1 Å²	33.1	16%	0.164	16%	0.162	C	C	.	.	H	α-helix	trans	-71.1	-35.8	175.7	-71.5	-175.9	1.7	0	0	112.6	L168 P271 N273 L274 A278 R279 L280	L168-Q276 HydrophobicContact CB-CG 4.47Å; L168-Q276 HydrophobicContact CD2-CB 4.45Å; P271-Q276 HydrophobicContact CB-CB 3.86Å; N273-Q276 PolarHBondContact O-N 3.26Å; N273-Q276 VanDerWaalsContact O-N 3.15Å; N273-Q276 WeakPolarHBondContact OD1-CG 3.47Å; N273-Q276 PolarHBondContact OD1-N 3.14Å; L274-Q276 VanDerWaalsContact C-N 3.31Å; L274-Q276 PolarHBondContact O-N 3.34Å; Q276-A278 PolarHBondContact O-N 3.35Å; Q276-R279 PolarHBondContact O-N 3.47Å; Q276-L280 PolarHBondContact O-N 2.72Å
277	K	95.2	Very high	94.4	Very high	22 Å²	22	31.4 Å²	31.4	10%	0.096	15%	0.15	C	C	.	.	H	α-helix	trans	-58.8	-39.2	171.7	-66.2	-170.5	-172.7	-173.3	0	110.9	P271 N273 L274 L280 G349 Q350 D352 Y732	P271-K277 HydrophobicContact CB-CG 3.77Å; P271-K277 HydrophobicContact CG-CG 3.82Å; N273-K277 PolarHBondContact O-N 3.5Å; L274-K277 HydrophobicContact CD2-CD 4.28Å; L274-K277 WeakPolarHBondContact O-CB 3.19Å; L274-K277 PolarHBondContact O-N 2.98Å; L274-K277 VanDerWaalsContact O-N 3.14Å; K277-L280 WeakPolarHBondContact O-CB 3.23Å; K277-L280 PolarHBondContact O-N 3.1Å; K277-G349 WeakPolarHBondContact CE-O 3.27Å; K277-Q350 VanDerWaalsContact CE-O 3.27Å; K277-Q350 WeakPolarHBondContact CE-O 3.38Å; K277-Q350 PolarHBondContact NZ-O 3.08Å; K277-D352 IonicContact NZ-OD2 3.29Å; K277-D352 PolarHBondContact NZ-OD2 2.9Å; K277-Y732 HydrophobicContact CB-CD2 3.97Å; K277-Y732 HydrophobicContact CD-CD2 4.46Å; K277-Y732 HydrophobicContact CD-CE2 4.22Å
278	A	96	Very high	94.4	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-66.9	-37.7	176.5	0	0	0	0	0	113.2	L274 V275 Q276 L280 N281 Y732 I734	L274-A278 PolarHBondContact O-N 3Å; V275-A278 PolarHBondContact O-N 3.48Å; Q276-A278 PolarHBondContact O-N 3.35Å; A278-L280 VanDerWaalsContact C-N 3.27Å; A278-L280 PolarHBondContact O-N 3.26Å; A278-N281 PolarHBondContact O-N 3.3Å; A278-Y732 VanDerWaalsContact CA-O 3.26Å; A278-Y732 WeakPolarHBondContact CA-O 3.35Å; A278-I734 HydrophobicContact CB-CD1 4.37Å; A278-I734 HydrophobicContact CB-CG1 3.61Å
279	R	95.6	Very high	94.3	Very high	34 Å²	34	31.2 Å²	31.2	13%	0.128	15%	0.148	C	C	.	.	H	α-helix	trans	-69.5	-20.6	177.2	-71.8	171.3	-178.8	165.8	-2.4	113.9	L168 K169 N171 V275 Q276 N281 S282 I734	L168-R279 HydrophobicContact CD2-CB 3.96Å; L168-R279 VanDerWaalsContact O-CD 3.23Å; L168-R279 WeakPolarHBondContact O-CD 3.46Å; L168-R279 PolarHBondContact O-NH1 3.44Å; K169-R279 PolarHBondContact O-NH1 3.39Å; N171-R279 PolarHBondContact OD1-NE 2.83Å; N171-R279 PolarHBondContact OD1-NH2 3.42Å; V275-R279 WeakPolarHBondContact O-CG 3.26Å; V275-R279 PolarHBondContact O-N 2.72Å; V275-R279 VanDerWaalsContact O-N 3.12Å; Q276-R279 PolarHBondContact O-N 3.47Å; R279-N281 PolarHBondContact O-N 2.8Å; R279-S282 VanDerWaalsContact O-CB 3.31Å; R279-S282 WeakPolarHBondContact O-CB 3.25Å; R279-S282 PolarHBondContact O-N 3.17Å; R279-S282 VanDerWaalsContact O-N 3.14Å; R279-S282 PolarHBondContact O-OG 3.29Å; R279-I734 HydrophobicContact CG-CD1 4.1Å
280	L	95	Very high	94.4	Very high	27 Å²	27	30.5 Å²	30.5	14%	0.141	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-61.3	-25.3	172.1	-68.5	171.8	0	0	0	112.4	I163 L168 M269 P271 Q276 K277 A278 S282 Q350	I163-L280 HydrophobicContact CG2-CD2 4.17Å; L168-L280 HydrophobicContact CD2-CD2 3.84Å; L168-L280 HydrophobicContact CD2-CG 4.11Å; M269-L280 HydrophobicContact CB-CD2 4.26Å; P271-L280 HydrophobicContact CB-CD1 4.1Å; P271-L280 HydrophobicContact CG-CD1 3.83Å; Q276-L280 PolarHBondContact O-N 2.72Å; K277-L280 WeakPolarHBondContact O-CB 3.23Å; K277-L280 PolarHBondContact O-N 3.1Å; A278-L280 VanDerWaalsContact C-N 3.27Å; A278-L280 PolarHBondContact O-N 3.26Å; L280-S282 VanDerWaalsContact C-N 3.28Å; L280-S282 PolarHBondContact O-N 2.92Å; L280-Q350 HydrophobicContact CD1-CG 3.73Å
281	N	95.8	Very high	94.5	Very high	20 Å²	20	27 Å²	27	11%	0.107	13%	0.129	C	C	.	.	G	3₁₀ helix	trans	-85.1	9	177.6	-68	-55.5	0	0	0	114.1	A278 R279 W284 Y732 F733	A278-N281 PolarHBondContact O-N 3.3Å; R279-N281 PolarHBondContact O-N 2.8Å; N281-W284 VanDerWaalsContact O-CD1 3.26Å; N281-W284 PolarHBondContact OD1-NE1 2.67Å; N281-Y732 PolarHBondContact ND2-N 3.3Å; N281-Y732 PolarHBondContact ND2-O 3.48Å; N281-F733 HydrophobicContact CB-CD1 4.24Å; N281-F733 HydrophobicContact CB-CE1 3.59Å; N281-F733 HydrophobicContact CB-CZ 4.08Å
282	S	94.2	Very high	94.5	Very high	1 Å²	1	27 Å²	27	1%	0.007	13%	0.128	C	C	.	.	G	3₁₀ helix	trans	-77.2	-18.4	-178.6	58	0	0	0	0	114.3	M167 L174 R279 L280 S814	M167-S282 WeakPolarHBondContact CE-OG 3.37Å; L174-S282 WeakPolarHBondContact CG-O 3.38Å; R279-S282 VanDerWaalsContact O-CB 3.31Å; R279-S282 WeakPolarHBondContact O-CB 3.25Å; R279-S282 PolarHBondContact O-N 3.17Å; R279-S282 VanDerWaalsContact O-N 3.14Å; R279-S282 PolarHBondContact O-OG 3.29Å; L280-S282 VanDerWaalsContact C-N 3.28Å; L280-S282 PolarHBondContact O-N 2.92Å; S282-S814 WeakPolarHBondContact CB-O 3.46Å
283	G	94.9	Very high	94.6	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.092	C	C	.	.	G	3₁₀ helix	trans	-91.5	-3.5	-173.4	0	0	0	0	0	116	T160 L161 L285	T160-G283 WeakPolarHBondContact CA-O 3.44Å; T160-G283 WeakPolarHBondContact OG1-CA 3.42Å; T160-G283 PolarHBondContact OG1-O 3.42Å; T160-G283 VanDerWaalsContact OG1-O 3.08Å; L161-G283 PolarHBondContact N-O 2.82Å; G283-L285 PolarHBondContact O-N 3.23Å
284	W	97.2	Very high	94.7	Very high	22 Å²	22	17.1 Å²	17.1	8%	0.083	8%	0.082	C	C	.	.	B	Isolated β-bridge	trans	-62.3	129	-176.4	-70.9	116	0	0	0	111.8	T160 N281 C317 K319 T819 F823	T160-W284 HydrophobicContact CG2-CZ3 4.46Å; T160-W284 PolarHBondContact OG1-N 2.81Å; N281-W284 VanDerWaalsContact O-CD1 3.26Å; N281-W284 PolarHBondContact OD1-NE1 2.67Å; W284-C317 HydrophobicContact CH2-CB 3.53Å; W284-C317 HydrophobicContact CZ3-CB 3.96Å; W284-K319 HydrophobicContact CD2-CD 4.17Å; W284-K319 HydrophobicContact CD2-CG 4.26Å; W284-K319 HydrophobicContact CE3-CB 4.49Å; W284-K319 HydrophobicContact CE3-CD 3.93Å; W284-K319 HydrophobicContact CE3-CG 4.19Å; W284-K319 HydrophobicContact CH2-CB 3.61Å; W284-K319 HydrophobicContact CH2-CD 4.47Å; W284-K319 HydrophobicContact CH2-CG 3.88Å; W284-K319 HydrophobicContact CZ2-CB 4.13Å; W284-K319 HydrophobicContact CZ2-CG 3.96Å; W284-K319 HydrophobicContact CZ3-CB 3.84Å; W284-K319 HydrophobicContact CZ3-CD 4.11Å; W284-K319 HydrophobicContact CZ3-CG 4.02Å; W284-T819 HydrophobicContact CB-CG2 4.06Å; W284-T819 HydrophobicContact CG-CG2 4.46Å; W284-F823 AromaticContact CD1-CE2 3.65Å; W284-F823 AromaticContact CD1-CZ 3.93Å; W284-F823 HydrophobicContact CG-CE2 4.3Å; W284-F823 HydrophobicContact CZ2-CZ 4.49Å; W284-F823 AromaticContact NE1-CE2 3.76Å; W284-F823 AromaticContact NE1-CZ 3.53Å
285	L	96.7	Very high	94.7	Very high	4 Å²	4	18.3 Å²	18.3	2%	0.021	10%	0.099	C	C	.	.	P	Polyproline II helix	trans	-83.3	150	175.9	-62.2	179.5	0	0	0	111	L138 L159 L161 L174 G283 S287 L291 I296 L314	L138-L285 HydrophobicContact CD1-CB 4.26Å; L138-L285 HydrophobicContact CD1-CD1 3.91Å; L138-L285 HydrophobicContact CD2-CB 3.41Å; L138-L285 VanDerWaalsContact CD2-CB 3.41Å; L138-L285 HydrophobicContact CD2-CD1 4.5Å; L138-L285 HydrophobicContact CG-CB 4.46Å; L159-L285 HydrophobicContact CB-CD1 3.97Å; L159-L285 WeakPolarHBondContact O-CB 3.26Å; L159-L285 PolarHBondContact O-N 2.87Å; L159-L285 VanDerWaalsContact O-N 3.12Å; L161-L285 HydrophobicContact CD1-CD2 4.4Å; L161-L285 HydrophobicContact CD2-CD2 4.17Å; L161-L285 HydrophobicContact CG-CD2 3.95Å; L174-L285 HydrophobicContact CD1-CD2 4.3Å; G283-L285 PolarHBondContact O-N 3.23Å; L285-S287 PolarHBondContact O-N 3.24Å; L285-L291 HydrophobicContact CD1-CD2 4.35Å; L285-I296 HydrophobicContact CD1-CD1 3.46Å; L285-I296 VanDerWaalsContact CD1-CD1 3.46Å; L285-I296 HydrophobicContact CD2-CD1 3.9Å; L285-I296 HydrophobicContact CG-CD1 4.35Å; L285-L314 HydrophobicContact CD1-CD1 4.14Å; L285-L314 HydrophobicContact CD1-CD2 4.05Å
286	D	94.8	Very high	94.7	Very high	22 Å²	22	17 Å²	17	12%	0.118	9%	0.091	C	C	.	.	P	Polyproline II helix	trans	-72.1	120.8	177.2	-176.5	-17	0	0	0	110.1	L138 S288 R289 Q294 K818 E822	L138-D286 VanDerWaalsContact CB-O 3.31Å; L138-D286 WeakPolarHBondContact CB-O 3.28Å; L138-D286 WeakPolarHBondContact CD2-O 3.35Å; D286-S288 VanDerWaalsContact CG-OG 3.32Å; D286-S288 PolarHBondContact O-N 3.27Å; D286-S288 WeakPolarHBondContact OD1-CB 3.49Å; D286-S288 PolarHBondContact OD1-N 3.08Å; D286-S288 PolarHBondContact OD1-OG 2.82Å; D286-S288 PolarHBondContact OD2-OG 3.23Å; D286-R289 HydrophobicContact CB-CB 4.25Å; D286-R289 HydrophobicContact CB-CG 4.15Å; D286-R289 PolarHBondContact O-N 3.3Å; D286-R289 WeakPolarHBondContact OD2-CG 3.26Å; D286-Q294 PolarHBondContact O-NE2 3.45Å; D286-K818 HydrophobicContact CB-CG 4.46Å; D286-K818 WeakPolarHBondContact OD1-CE 3.26Å; D286-K818 IonicContact OD1-NZ 3.26Å; D286-K818 PolarHBondContact OD1-NZ 3.05Å; D286-K818 VanDerWaalsContact OD1-NZ 3.17Å; D286-K818 WeakPolarHBondContact OD2-CE 3.38Å; D286-E822 VanDerWaalsContact OD1-OE1 3.09Å
287	S	95.2	Very high	94.5	Very high	4 Å²	4	22.7 Å²	22.7	3%	0.028	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-24.3	-179.3	62.7	0	0	0	0	113.8	L138 F139 L285 E822	L138-S287 PolarHBondContact N-O 3.02Å; F139-S287 WeakPolarHBondContact CB-O 3.38Å; F139-S287 PolarHBondContact N-O 3.01Å; L285-S287 PolarHBondContact O-N 3.24Å; S287-E822 WeakPolarHBondContact CB-OE1 3.46Å; S287-E822 PolarHBondContact N-OE1 3.05Å; S287-E822 PolarHBondContact OG-OE1 2.85Å
288	S	93	Very high	94.2	Very high	4 Å²	4	22 Å²	22	3%	0.028	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-6.1	-174.6	72.7	0	0	0	0	114.3	R137 D286	R137-S288 WeakPolarHBondContact CG-O 3.13Å; D286-S288 VanDerWaalsContact CG-OG 3.32Å; D286-S288 PolarHBondContact O-N 3.27Å; D286-S288 WeakPolarHBondContact OD1-CB 3.49Å; D286-S288 PolarHBondContact OD1-N 3.08Å; D286-S288 PolarHBondContact OD1-OG 2.82Å; D286-S288 PolarHBondContact OD2-OG 3.23Å
289	R	92.4	Very high	93.6	Very high	38 Å²	38	23.7 Å²	23.7	14%	0.143	12%	0.124	C	C	.	.	S	Bend	trans	-113.3	151.9	-177.4	-65.3	-72.4	-173.9	-89.3	-6	110.9	L138 V177 D286 E293 Q294	L138-R289 WeakPolarHBondContact CB-O 3.36Å; L138-R289 PolarHBondContact N-O 2.89Å; V177-R289 PolarHBondContact O-NE 2.92Å; V177-R289 PolarHBondContact O-NH2 3.36Å; D286-R289 HydrophobicContact CB-CB 4.25Å; D286-R289 HydrophobicContact CB-CG 4.15Å; D286-R289 PolarHBondContact O-N 3.3Å; D286-R289 WeakPolarHBondContact OD2-CG 3.26Å; R289-E293 WeakPolarHBondContact CA-OE2 3.49Å; R289-E293 HydrophobicContact CB-CB 4.29Å; R289-E293 WeakPolarHBondContact CD-OE2 3.4Å; R289-Q294 HydrophobicContact CB-CG 3.78Å; R289-Q294 PolarHBondContact O-NE2 3.3Å
290	S	95	Very high	92.2	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.141	C	C	.	.	B	Isolated β-bridge	trans	-74.8	165.5	173.1	75.9	0	0	0	0	112.1	W90 Y134 A136 L292 E293 Q294	W90-S290 PolarHBondContact NE1-OG 3.4Å; Y134-S290 WeakPolarHBondContact O-CB 3.44Å; Y134-S290 PolarHBondContact O-OG 3.26Å; A136-S290 WeakPolarHBondContact O-CA 3.49Å; A136-S290 WeakPolarHBondContact O-CB 3.33Å; S290-L292 VanDerWaalsContact C-N 3.34Å; S290-L292 PolarHBondContact O-N 3.35Å; S290-E293 PolarHBondContact N-OE2 2.6Å; S290-E293 PolarHBondContact O-N 2.78Å; S290-E293 WeakPolarHBondContact OG-CG 3.16Å; S290-E293 PolarHBondContact OG-N 2.93Å; S290-E293 PolarHBondContact OG-OE2 2.61Å; S290-Q294 WeakPolarHBondContact O-CG 3.18Å; S290-Q294 PolarHBondContact O-N 3.24Å; S290-Q294 PolarHBondContact O-NE2 3.13Å
291	L	95.7	Very high	90.6	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-44.9	179.4	-67.8	175.5	0	0	0	111.4	V118 V132 Y134 L138 L285 E293 Q294 G295 I296 L314	V118-L291 HydrophobicContact CG2-CD1 4.26Å; V132-L291 HydrophobicContact CG2-CD1 3.74Å; Y134-L291 HydrophobicContact CD1-CB 3.73Å; Y134-L291 HydrophobicContact CD1-CD1 4.32Å; Y134-L291 HydrophobicContact CD2-CD1 4.17Å; Y134-L291 HydrophobicContact CE1-CB 4.08Å; Y134-L291 HydrophobicContact CE1-CD1 4.33Å; Y134-L291 HydrophobicContact CE2-CD1 4.15Å; Y134-L291 HydrophobicContact CG-CB 4.2Å; Y134-L291 HydrophobicContact CG-CD1 4.27Å; L138-L291 HydrophobicContact CD1-CD2 3.52Å; L138-L291 HydrophobicContact CD1-CG 4.48Å; L285-L291 HydrophobicContact CD1-CD2 4.35Å; L291-E293 PolarHBondContact O-N 3.46Å; L291-Q294 PolarHBondContact O-N 3.43Å; L291-G295 PolarHBondContact O-N 2.92Å; L291-I296 HydrophobicContact CB-CB 4.21Å; L291-I296 HydrophobicContact CB-CD1 4.48Å; L291-I296 HydrophobicContact CB-CG2 4.48Å; L291-I296 HydrophobicContact CD2-CD1 3.68Å; L291-I296 WeakPolarHBondContact O-CB 3.29Å; L291-I296 PolarHBondContact O-N 3.17Å; L291-L314 HydrophobicContact CD2-CD1 3.74Å
292	L	94.2	Very high	88.6	Confident	13 Å²	13	36.2 Å²	36.2	7%	0.068	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-36.8	-178.3	-169.9	59.7	0	0	0	112.1	W83 W90 Y134 S290 Q294 G295 I296 K297	W83-L292 HydrophobicContact CB-CD2 4.49Å; W83-L292 HydrophobicContact CD2-CD2 3.54Å; W83-L292 HydrophobicContact CD2-CG 4.19Å; W83-L292 HydrophobicContact CE3-CD2 3.69Å; W83-L292 HydrophobicContact CE3-CG 4.24Å; W83-L292 HydrophobicContact CG-CD2 3.91Å; W83-L292 HydrophobicContact CH2-CB 4.41Å; W83-L292 HydrophobicContact CH2-CD2 4.39Å; W83-L292 HydrophobicContact CH2-CG 4.06Å; W83-L292 HydrophobicContact CZ2-CD2 4.26Å; W83-L292 HydrophobicContact CZ2-CG 3.98Å; W83-L292 HydrophobicContact CZ3-CB 4.36Å; W83-L292 HydrophobicContact CZ3-CD2 4.13Å; W83-L292 HydrophobicContact CZ3-CG 4.19Å; W90-L292 HydrophobicContact CH2-CD2 4.02Å; W90-L292 HydrophobicContact CZ2-CB 4.03Å; W90-L292 HydrophobicContact CZ2-CD2 3.4Å; W90-L292 VanDerWaalsContact CZ2-CD2 3.4Å; W90-L292 HydrophobicContact CZ2-CG 4.37Å; Y134-L292 HydrophobicContact CD1-CB 4.44Å; S290-L292 VanDerWaalsContact C-N 3.34Å; S290-L292 PolarHBondContact O-N 3.35Å; L292-Q294 PolarHBondContact O-N 2.88Å; L292-G295 PolarHBondContact O-N 3.37Å; L292-I296 WeakPolarHBondContact CA-O 3.37Å; L292-K297 HydrophobicContact CD1-CG 4.21Å
293	E	93.2	Very high	86.4	Confident	11 Å²	11	44 Å²	44	5%	0.051	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-31.5	175.2	-73.8	171.1	165.9	0	0	112.9	W83 N88 R183 R289 S290 L291 G295	W83-E293 HydrophobicContact CH2-CB 4.38Å; W83-E293 HydrophobicContact CH2-CG 3.71Å; W83-E293 HydrophobicContact CZ3-CG 3.82Å; N88-E293 WeakPolarHBondContact ND2-CA 3.44Å; N88-E293 PolarHBondContact ND2-O 3.08Å; R183-E293 PolarHBondContact NH2-O 2.94Å; R289-E293 WeakPolarHBondContact CA-OE2 3.49Å; R289-E293 HydrophobicContact CB-CB 4.29Å; R289-E293 WeakPolarHBondContact CD-OE2 3.4Å; S290-E293 PolarHBondContact N-OE2 2.6Å; S290-E293 PolarHBondContact O-N 2.78Å; S290-E293 WeakPolarHBondContact OG-CG 3.16Å; S290-E293 PolarHBondContact OG-N 2.93Å; S290-E293 PolarHBondContact OG-OE2 2.61Å; L291-E293 PolarHBondContact O-N 3.46Å; E293-G295 PolarHBondContact O-N 3.48Å
294	Q	93.5	Very high	84.3	Confident	43 Å²	43	51.2 Å²	51.2	20%	0.201	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	4	178.4	-61.5	-176.4	69.4	0	0	112.7	D286 R289 S290 L291 L292	D286-Q294 PolarHBondContact O-NE2 3.45Å; R289-Q294 HydrophobicContact CB-CG 3.78Å; R289-Q294 PolarHBondContact O-NE2 3.3Å; S290-Q294 WeakPolarHBondContact O-CG 3.18Å; S290-Q294 PolarHBondContact O-N 3.24Å; S290-Q294 PolarHBondContact O-NE2 3.13Å; L291-Q294 PolarHBondContact O-N 3.43Å; L292-Q294 PolarHBondContact O-N 2.88Å
295	G	91.9	Very high	82	Confident	44 Å²	44	53.2 Å²	53.2	45%	0.454	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.9	9.1	178.6	0	0	0	0	0	114.4	L291 L292 E293 K297	L291-G295 PolarHBondContact O-N 2.92Å; L292-G295 PolarHBondContact O-N 3.37Å; E293-G295 PolarHBondContact O-N 3.48Å; G295-K297 PolarHBondContact O-N 3.36Å
296	I	94.1	Very high	79.9	Confident	14 Å²	14	61.7 Å²	61.7	7%	0.072	34%	0.339	C	S	.	.			trans	-81.4	104.9	174.3	-58	161.7	0	0	0	107.1	Y134 L161 L285 L291 L292 P312 L314	Y134-I296 HydrophobicContact CE1-CG2 4.28Å; Y134-I296 WeakPolarHBondContact CE1-O 3.35Å; L161-I296 HydrophobicContact CD2-CD1 4.44Å; L161-I296 HydrophobicContact CD2-CG1 4.47Å; L285-I296 HydrophobicContact CD1-CD1 3.46Å; L285-I296 VanDerWaalsContact CD1-CD1 3.46Å; L285-I296 HydrophobicContact CD2-CD1 3.9Å; L285-I296 HydrophobicContact CG-CD1 4.35Å; L291-I296 HydrophobicContact CB-CB 4.21Å; L291-I296 HydrophobicContact CB-CD1 4.48Å; L291-I296 HydrophobicContact CB-CG2 4.48Å; L291-I296 HydrophobicContact CD2-CD1 3.68Å; L291-I296 WeakPolarHBondContact O-CB 3.29Å; L291-I296 PolarHBondContact O-N 3.17Å; L292-I296 WeakPolarHBondContact CA-O 3.37Å; I296-P312 HydrophobicContact CG2-CB 3.99Å; I296-P312 HydrophobicContact CG2-CG 3.98Å; I296-L314 HydrophobicContact CD1-CD1 4.17Å; I296-L314 HydrophobicContact CD1-CD2 4Å
297	K	91.3	Very high	78	Confident	153 Å²	153	66.2 Å²	66.2	67%	0.665	36%	0.364	S	S	*	.			trans	-89.9	143.7	-179.2	-65.6	-179.3	-179.1	179.4	0	110.6	L292 G295	L292-K297 HydrophobicContact CD1-CG 4.21Å; G295-K297 PolarHBondContact O-N 3.36Å
298	P	88.5	Confident	76.2	Confident	8 Å²	8	71.3 Å²	71.3	5%	0.052	40%	0.397	C	S	.	.			trans	-69.7	160.2	170.1	26	-25.3	0	0	0	111	H112 N116 Y134 S300	H112-P298 WeakPolarHBondContact CE1-CG 3.23Å; N116-P298 HydrophobicContact CB-CB 3.54Å; N116-P298 HydrophobicContact CB-CG 4.47Å; N116-P298 VanDerWaalsContact CG-CB 3.47Å; Y134-P298 HydrophobicContact CE1-CB 4.05Å; Y134-P298 HydrophobicContact CE1-CG 4.32Å; Y134-P298 HydrophobicContact CE2-CB 4.49Å; P298-S300 PolarHBondContact O-N 3.25Å; P298-S300 VanDerWaalsContact O-N 3.13Å
299	S	82.9	Confident	75.1	Confident	35 Å²	35	74 Å²	74	25%	0.245	41%	0.414	C	S	.	.			trans	-57.3	113.3	170.9	-74.8	0	0	0	0	110.1	L301 P309 N310 P311	S299-L301 PolarHBondContact O-N 3.05Å; S299-P309 WeakPolarHBondContact CB-O 3.48Å; S299-P309 PolarHBondContact OG-O 2.87Å; S299-N310 VanDerWaalsContact OG-C 3.25Å; S299-N310 PolarHBondContact OG-O 3.04Å; S299-N310 VanDerWaalsContact OG-O 3.07Å; S299-P311 VanDerWaalsContact OG-CA 3.25Å; S299-P311 WeakPolarHBondContact OG-CA 3.44Å
300	S	67.5	Low	74.6	Confident	69 Å²	69	77.2 Å²	77.2	48%	0.483	43%	0.434	S	S	.	.			trans	-64.7	134.7	176.3	-57	0	0	0	0	110.5	P298 E302 P309	P298-S300 PolarHBondContact O-N 3.25Å; P298-S300 VanDerWaalsContact O-N 3.13Å; S300-E302 PolarHBondContact O-N 3.37Å; S300-P309 WeakPolarHBondContact O-CD 3.09Å; S300-P309 WeakPolarHBondContact O-CG 3.39Å
301	L	60	Low	74.4	Confident	119 Å²	119	78.5 Å²	78.5	62%	0.623	44%	0.442	S	S	*	.			trans	-70.9	77	165.5	-80.7	132	0	0	0	108.6	S299 L303	S299-L301 PolarHBondContact O-N 3.05Å; L301-L303 PolarHBondContact O-N 3.31Å
302	E	53.8	Low	74.4	Confident	156 Å²	156	80 Å²	80	73%	0.729	45%	0.452	S	S	*	.			trans	-70.3	120	164.2	-70.5	-162.4	166.5	0	0	108.4	S300 D304	S300-E302 PolarHBondContact O-N 3.37Å; E302-D304 PolarHBondContact O-N 3.19Å
303	L	48.8	Very low	74.5	Confident	165 Å²	165	80.6 Å²	80.6	86%	0.864	46%	0.456	S	S	*	.			trans	-67.6	-14.9	178.4	-121.4	88.5	0	0	0	112.6	L301 G305	L301-L303 PolarHBondContact O-N 3.31Å; L303-G305 PolarHBondContact O-N 3.46Å
304	D	50	Low	74.7	Confident	152 Å²	152	80.1 Å²	80.1	81%	0.813	45%	0.454	S	S	*	.	S	Bend	trans	-79.2	103.4	-179.4	-98.7	-11.4	0	0	0	110.2	E302 H306	E302-D304 PolarHBondContact O-N 3.19Å; D304-H306 PolarHBondContact O-N 2.95Å
305	G	48.5	Very low	74.9	Confident	63 Å²	63	78.9 Å²	78.9	65%	0.649	45%	0.448	S	S	*	.	S	Bend	trans	-52.2	126	-175.4	0	0	0	0	0	113.5	L303	L303-G305 PolarHBondContact O-N 3.46Å
306	H	53.5	Low	75.2	Confident	182 Å²	182	76.8 Å²	76.8	84%	0.843	43%	0.426	S	S	*	.	S	Bend		-171.9	-5.3	116	-101.9	-65.3	0	0	0	114.5	D304	D304-H306 PolarHBondContact O-N 2.95Å
307	N	54.2	Low	75.4	Confident	118 Å²	118	77.4 Å²	77.4	63%	0.631	43%	0.431	S	S	*	.			trans	-164.5	139.7	161.5	-82.1	-53.7	0	0	0	109.3
308	P	58.3	Low	75.7	Confident	111 Å²	111	70.1 Å²	70.1	72%	0.721	40%	0.4	S	S	*	.	P	Polyproline II helix	trans	-58.6	139	170.5	26	-33	0	0	0	109.7	N310	P308-N310 PolarHBondContact O-N 3.34Å
309	P	69.9	Low	76.2	Confident	59 Å²	59	69.8 Å²	69.8	38%	0.383	40%	0.398	S	S	.	.	P	Polyproline II helix	trans	-62.3	135.8	176.8	16.8	-21.5	0	0	0	110.2	S299 S300	S299-P309 WeakPolarHBondContact CB-O 3.48Å; S299-P309 PolarHBondContact OG-O 2.87Å; S300-P309 WeakPolarHBondContact O-CD 3.09Å; S300-P309 WeakPolarHBondContact O-CG 3.39Å
310	N	82.5	Confident	76.8	Confident	107 Å²	107	68.3 Å²	68.3	57%	0.572	39%	0.387	S	S	*	.	P	Polyproline II helix	trans	-57.4	136.7	178.7	-72.6	-21.2	0	0	0	110.3	S299 P308	S299-N310 VanDerWaalsContact OG-C 3.25Å; S299-N310 PolarHBondContact OG-O 3.04Å; S299-N310 VanDerWaalsContact OG-O 3.07Å; P308-N310 PolarHBondContact O-N 3.34Å
311	P	90.9	Very high	78.1	Confident	26 Å²	26	66.1 Å²	66.1	17%	0.169	37%	0.368	C	S	.	.	P	Polyproline II helix	trans	-58.7	150.2	176.2	25.7	-34.3	0	0	0	111.1	D117 Q119 V129 S299 T313	D117-P311 HydrophobicContact CB-CB 4.24Å; D117-P311 WeakPolarHBondContact O-CB 3.44Å; Q119-P311 HydrophobicContact CB-CG 4.12Å; V129-P311 HydrophobicContact CG1-CG 4.33Å; V129-P311 HydrophobicContact CG2-CG 4.32Å; S299-P311 VanDerWaalsContact OG-CA 3.25Å; S299-P311 WeakPolarHBondContact OG-CA 3.44Å; P311-T313 PolarHBondContact O-N 3.39Å
312	P	94.4	Very high	79.5	Confident	32 Å²	32	60.9 Å²	60.9	21%	0.208	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-58.4	142.7	175.2	26.5	-34.7	0	0	0	110.1	V118 Q119 Y134 I296	V118-P312 WeakPolarHBondContact CG1-O 3.33Å; V118-P312 HydrophobicContact CG2-CG 4.26Å; Q119-P312 PolarHBondContact N-O 2.7Å; Y134-P312 WeakPolarHBondContact OH-CG 3.22Å; I296-P312 HydrophobicContact CG2-CB 3.99Å; I296-P312 HydrophobicContact CG2-CG 3.98Å
313	T	95.8	Very high	81.3	Confident	25 Å²	25	54.4 Å²	54.4	15%	0.153	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	126.2	-179.4	-62	0	0	0	0	110.9	Q119 V121 P162 P311 Y315 P418	Q119-T313 HydrophobicContact CG-CG2 4.48Å; Q119-T313 CarbonylContact O-C 3.39Å; Q119-T313 VanDerWaalsContact O-CA 3.29Å; Q119-T313 WeakPolarHBondContact O-CA 3.38Å; V121-T313 HydrophobicContact CG2-CG2 3.68Å; P162-T313 WeakPolarHBondContact CD-O 3.31Å; P162-T313 HydrophobicContact CG-CG2 4.42Å; P162-T313 WeakPolarHBondContact CG-O 3.41Å; P311-T313 PolarHBondContact O-N 3.39Å; T313-Y315 HydrophobicContact CG2-CE2 4.18Å; T313-P418 HydrophobicContact CG2-CB 4.14Å
314	L	98	Very high	83.1	Confident	2 Å²	2	46.8 Å²	46.8	1%	0.01	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	151.2	173.9	-60.2	179.2	0	0	0	110	V118 Q119 I120 V121 L159 L161 L285 L291 I296	V118-L314 HydrophobicContact CG1-CB 4.38Å; V118-L314 HydrophobicContact CG1-CD1 3.98Å; V118-L314 HydrophobicContact CG1-CG 4.07Å; Q119-L314 PolarHBondContact O-N 3.34Å; I120-L314 CarbonylContact C-O 3.32Å; I120-L314 WeakPolarHBondContact CA-O 3.42Å; I120-L314 HydrophobicContact CD1-CB 4.22Å; V121-L314 PolarHBondContact N-O 2.97Å; L159-L314 HydrophobicContact CD1-CD1 4.1Å; L159-L314 HydrophobicContact CD2-CB 4.23Å; L161-L314 HydrophobicContact CD2-CD2 3.69Å; L285-L314 HydrophobicContact CD1-CD1 4.14Å; L285-L314 HydrophobicContact CD1-CD2 4.05Å; L291-L314 HydrophobicContact CD2-CD1 3.74Å; I296-L314 HydrophobicContact CD1-CD1 4.17Å; I296-L314 HydrophobicContact CD1-CD2 4Å
315	Y	98.3	Very high	84.9	Confident	16 Å²	16	40.7 Å²	40.7	6%	0.063	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	125.2	177.6	-77.9	-110.3	0	0	0	109.8	V121 L125 L159 T160 P162 W267 T313	V121-Y315 HydrophobicContact CB-CD1 3.76Å; V121-Y315 HydrophobicContact CB-CD2 4.24Å; V121-Y315 HydrophobicContact CB-CE1 3.8Å; V121-Y315 HydrophobicContact CB-CE2 4.24Å; V121-Y315 HydrophobicContact CB-CG 3.99Å; V121-Y315 HydrophobicContact CG1-CD1 3.64Å; V121-Y315 HydrophobicContact CG1-CE1 3.4Å; V121-Y315 VanDerWaalsContact CG1-CE1 3.4Å; V121-Y315 HydrophobicContact CG1-CG 4.38Å; V121-Y315 HydrophobicContact CG2-CD2 4.47Å; V121-Y315 HydrophobicContact CG2-CE1 4.31Å; V121-Y315 HydrophobicContact CG2-CE2 4.12Å; V121-Y315 WeakPolarHBondContact O-CA 3.4Å; L125-Y315 HydrophobicContact CD2-CE1 4Å; L159-Y315 CarbonylContact C-O 3.48Å; L159-Y315 VanDerWaalsContact CA-O 3.31Å; L159-Y315 WeakPolarHBondContact CA-O 3.46Å; T160-Y315 PolarHBondContact N-O 3.44Å; T160-Y315 PolarHBondContact O-N 2.79Å; P162-Y315 HydrophobicContact CB-CD2 4.3Å; P162-Y315 HydrophobicContact CB-CE2 3.83Å; P162-Y315 HydrophobicContact CG-CD2 4.08Å; P162-Y315 HydrophobicContact CG-CE2 3.83Å; W267-Y315 PolarHBondContact O-OH 2.87Å; T313-Y315 HydrophobicContact CG2-CE2 4.18Å
316	L	98.5	Very high	86.9	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	123.4	168	-178.6	68.4	0	0	0	108.3	I120 V121 L122 P123 V142 I145 L149 L157 L159	I120-L316 HydrophobicContact CG2-CB 3.84Å; V121-L316 PolarHBondContact O-N 3.28Å; L122-L316 HydrophobicContact CD2-CD2 4.03Å; P123-L316 VanDerWaalsContact CD-O 3.22Å; P123-L316 WeakPolarHBondContact CD-O 3.04Å; P123-L316 VanDerWaalsContact CG-O 3.29Å; P123-L316 WeakPolarHBondContact CG-O 3.35Å; V142-L316 HydrophobicContact CG1-CD1 4.35Å; I145-L316 HydrophobicContact CG2-CD2 4.1Å; L149-L316 HydrophobicContact CD1-CD2 4.15Å; L157-L316 HydrophobicContact CB-CD1 3.95Å; L157-L316 HydrophobicContact CD2-CD1 4Å; L157-L316 HydrophobicContact CD2-CD2 4.07Å; L157-L316 HydrophobicContact CD2-CG 3.82Å; L159-L316 HydrophobicContact CD2-CB 4.13Å; L159-L316 HydrophobicContact CD2-CD1 4.16Å
317	C	98.1	Very high	88.6	Confident	27 Å²	27	33.3 Å²	33.3	18%	0.182	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	143.2	-175.6	-66.4	0	0	0	0	110.1	L157 S158 W284 K319	L157-C317 CarbonylContact C-O 3.54Å; L157-C317 VanDerWaalsContact CA-O 3.25Å; L157-C317 WeakPolarHBondContact CA-O 3.31Å; S158-C317 PolarHBondContact N-O 3.3Å; S158-C317 PolarHBondContact O-N 3.16Å; W284-C317 HydrophobicContact CH2-CB 3.53Å; W284-C317 HydrophobicContact CZ3-CB 3.96Å; C317-K319 PolarHBondContact O-N 2.9Å; C317-K319 VanDerWaalsContact O-N 3.16Å
318	F	98.1	Very high	90.4	Very high	1 Å²	1	30.5 Å²	30.5	0%	0.004	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	112.3	162.7	-65.5	-92.2	0	0	0	108	P123 E156 L157 F323 R334 Q337 L338 Q341	P123-F318 HydrophobicContact CG-CD2 4.26Å; P123-F318 HydrophobicContact CG-CE2 4.16Å; E156-F318 HydrophobicContact CB-CD1 4.1Å; E156-F318 CarbonylContact O-C 3.53Å; E156-F318 WeakPolarHBondContact O-CA 3.49Å; L157-F318 HydrophobicContact CD1-CD1 4.04Å; L157-F318 HydrophobicContact CD1-CE1 3.72Å; L157-F318 HydrophobicContact CD1-CZ 4.3Å; L157-F318 HydrophobicContact CD2-CD1 4.12Å; L157-F318 HydrophobicContact CD2-CD2 4.15Å; L157-F318 HydrophobicContact CD2-CE1 3.97Å; L157-F318 HydrophobicContact CD2-CE2 3.99Å; L157-F318 HydrophobicContact CD2-CG 4.21Å; L157-F318 HydrophobicContact CD2-CZ 3.88Å; L157-F318 HydrophobicContact CG-CD1 3.73Å; L157-F318 HydrophobicContact CG-CE1 3.82Å; L157-F318 HydrophobicContact CG-CG 4.13Å; L157-F318 HydrophobicContact CG-CZ 4.26Å; F318-F323 HydrophobicContact CB-CE1 4.18Å; F318-F323 HydrophobicContact CD1-CD1 4.45Å; F318-F323 HydrophobicContact CD1-CE1 4.01Å; F318-F323 HydrophobicContact CG-CE1 4.34Å; F318-R334 HydrophobicContact CE1-CG 4.42Å; F318-R334 HydrophobicContact CZ-CG 4.3Å; F318-Q337 HydrophobicContact CE2-CB 3.83Å; F318-Q337 HydrophobicContact CZ-CB 4.3Å; F318-L338 HydrophobicContact CB-CD2 4.36Å; F318-L338 HydrophobicContact CD1-CD2 3.5Å; F318-L338 HydrophobicContact CD1-CG 4.19Å; F318-L338 HydrophobicContact CD2-CD2 3.69Å; F318-L338 HydrophobicContact CD2-CG 4.21Å; F318-L338 HydrophobicContact CE1-CD1 4.35Å; F318-L338 HydrophobicContact CE1-CD2 3.57Å; F318-L338 HydrophobicContact CE1-CG 3.71Å; F318-L338 HydrophobicContact CE2-CB 4.36Å; F318-L338 HydrophobicContact CE2-CD2 3.75Å; F318-L338 HydrophobicContact CE2-CG 3.74Å; F318-L338 HydrophobicContact CG-CD2 3.58Å; F318-L338 HydrophobicContact CG-CG 4.43Å; F318-L338 HydrophobicContact CZ-CB 4.46Å; F318-L338 HydrophobicContact CZ-CD1 4.4Å; F318-L338 HydrophobicContact CZ-CD2 3.71Å; F318-L338 HydrophobicContact CZ-CG 3.48Å; F318-L338 VanDerWaalsContact CZ-CG 3.48Å; F318-Q341 PolarHBondContact O-NE2 3.36Å
319	K	97.7	Very high	91.8	Very high	1 Å²	1	32.9 Å²	32.9	0%	0.004	17%	0.174	C	C	.	.			trans	-88.3	-40.1	-175.3	-178.8	175	177.5	-179.7	0	111	E156 W284 C317 E822 F823	E156-K319 PolarHBondContact O-N 2.83Å; W284-K319 HydrophobicContact CD2-CD 4.17Å; W284-K319 HydrophobicContact CD2-CG 4.26Å; W284-K319 HydrophobicContact CE3-CB 4.49Å; W284-K319 HydrophobicContact CE3-CD 3.93Å; W284-K319 HydrophobicContact CE3-CG 4.19Å; W284-K319 HydrophobicContact CH2-CB 3.61Å; W284-K319 HydrophobicContact CH2-CD 4.47Å; W284-K319 HydrophobicContact CH2-CG 3.88Å; W284-K319 HydrophobicContact CZ2-CB 4.13Å; W284-K319 HydrophobicContact CZ2-CG 3.96Å; W284-K319 HydrophobicContact CZ3-CB 3.84Å; W284-K319 HydrophobicContact CZ3-CD 4.11Å; W284-K319 HydrophobicContact CZ3-CG 4.02Å; C317-K319 PolarHBondContact O-N 2.9Å; C317-K319 VanDerWaalsContact O-N 3.16Å; K319-E822 IonicContact NZ-OE2 3.27Å; K319-E822 PolarHBondContact NZ-OE2 2.85Å; K319-F823 HydrophobicContact CD-CZ 4.44Å; K319-F823 HydrophobicContact CG-CE1 3.91Å; K319-F823 HydrophobicContact CG-CE2 4.43Å; K319-F823 HydrophobicContact CG-CZ 3.75Å
320	Y	96.4	Very high	92.7	Very high	3 Å²	3	35.8 Å²	35.8	1%	0.012	18%	0.178	C	C	.	.	S	Bend	trans	-104.9	125.3	-177.5	-54.3	-78.8	0	0	0	110.1	E155 E156 T322 F323 E822 Y827 L830 F846	E155-Y320 VanDerWaalsContact O-CD2 3.25Å; E155-Y320 WeakPolarHBondContact O-CD2 3.39Å; E155-Y320 WeakPolarHBondContact O-CE2 3.24Å; E156-Y320 PolarHBondContact O-N 3.24Å; Y320-T322 PolarHBondContact O-N 3.43Å; Y320-F323 VanDerWaalsContact O-CE1 3.3Å; Y320-F323 WeakPolarHBondContact O-CE1 3.42Å; Y320-E822 WeakPolarHBondContact CE1-O 3.48Å; Y320-E822 PolarHBondContact OH-O 3.5Å; Y320-Y827 HydrophobicContact CD1-CD1 4.28Å; Y320-Y827 HydrophobicContact CD1-CD2 4.39Å; Y320-Y827 HydrophobicContact CD1-CE1 4.41Å; Y320-Y827 HydrophobicContact CD1-CG 4.26Å; Y320-L830 HydrophobicContact CD1-CD1 4.31Å; Y320-L830 HydrophobicContact CD2-CD1 3.98Å; Y320-L830 HydrophobicContact CG-CD1 3.6Å; Y320-F846 HydrophobicContact CE2-CE2 4.5Å
321	F	93.7	Very high	93.2	Very high	23 Å²	23	30.7 Å²	30.7	10%	0.101	15%	0.151	C	C	.	.			trans	-87	39.2	-175.1	-68.1	-109.2	0	0	0	112.1	F323 F351 W722 F728 G729 Y827	F321-F323 HydrophobicContact CD1-CZ 4.48Å; F321-F351 HydrophobicContact CD1-CZ 4.41Å; F321-F351 HydrophobicContact CE1-CE2 4.09Å; F321-F351 AromaticContact CE1-CZ 3.65Å; F321-F351 HydrophobicContact CE1-CZ 3.65Å; F321-F351 HydrophobicContact CZ-CE2 4.48Å; F321-F351 HydrophobicContact CZ-CZ 4.12Å; F321-W722 AromaticContact CD1-CH2 3.69Å; F321-W722 HydrophobicContact CD1-CH2 3.69Å; F321-W722 AromaticContact CD1-CZ2 4Å; F321-W722 HydrophobicContact CD1-CZ2 4Å; F321-W722 HydrophobicContact CD1-CZ3 4.48Å; F321-W722 AromaticContact CE1-CH2 3.47Å; F321-W722 HydrophobicContact CE1-CH2 3.47Å; F321-W722 VanDerWaalsContact CE1-CH2 3.47Å; F321-W722 AromaticContact CE1-CZ2 3.51Å; F321-W722 HydrophobicContact CE1-CZ2 3.51Å; F321-F728 HydrophobicContact CB-CE1 3.96Å; F321-F728 HydrophobicContact CB-CZ 3.78Å; F321-F728 HydrophobicContact CD1-CD2 4.36Å; F321-F728 AromaticContact CD1-CE2 3.67Å; F321-F728 HydrophobicContact CD1-CE2 3.67Å; F321-F728 AromaticContact CD1-CZ 3.79Å; F321-F728 HydrophobicContact CD1-CZ 3.79Å; F321-F728 HydrophobicContact CE1-CE2 4.49Å; F321-F728 HydrophobicContact CG-CZ 4.29Å; F321-F728 WeakPolarHBondContact O-CE1 3.5Å; F321-G729 VanDerWaalsContact CB-CA 3.49Å; F321-Y827 PolarHBondContact N-OH 3.24Å
322	T	91	Very high	93.3	Very high	9 Å²	9	31.5 Å²	31.5	6%	0.055	16%	0.159	C	C	.	.			trans	-119.5	103.6	176	-58	0	0	0	0	107.1	Y320 Q765 L830	Y320-T322 PolarHBondContact O-N 3.43Å; T322-Q765 WeakPolarHBondContact OG1-CG 3.33Å; T322-Q765 PolarHBondContact OG1-NE2 2.89Å; T322-L830 HydrophobicContact CG2-CB 4.1Å
323	F	91.7	Very high	93.3	Very high	21 Å²	21	30.1 Å²	30.1	9%	0.092	15%	0.151	C	C	.	.			trans	-110.4	119.8	-178.7	-44.1	-52.7	0	0	0	109.1	F318 Y320 F321 V326 L338 W722 Q723 F728	F318-F323 HydrophobicContact CB-CE1 4.18Å; F318-F323 HydrophobicContact CD1-CD1 4.45Å; F318-F323 HydrophobicContact CD1-CE1 4.01Å; F318-F323 HydrophobicContact CG-CE1 4.34Å; Y320-F323 VanDerWaalsContact O-CE1 3.3Å; Y320-F323 WeakPolarHBondContact O-CE1 3.42Å; F321-F323 HydrophobicContact CD1-CZ 4.48Å; F323-V326 HydrophobicContact CB-CG2 4.29Å; F323-L338 HydrophobicContact CD1-CD1 4.48Å; F323-L338 HydrophobicContact CD1-CD2 3.75Å; F323-L338 HydrophobicContact CD2-CD2 4.14Å; F323-L338 HydrophobicContact CE1-CD2 3.44Å; F323-L338 VanDerWaalsContact CE1-CD2 3.44Å; F323-L338 HydrophobicContact CE2-CD2 3.87Å; F323-L338 HydrophobicContact CG-CD1 4.34Å; F323-L338 HydrophobicContact CG-CD2 4.11Å; F323-L338 HydrophobicContact CZ-CD2 3.51Å; F323-W722 HydrophobicContact CE2-CE3 4.3Å; F323-W722 HydrophobicContact CE2-CH2 4.4Å; F323-W722 AromaticContact CE2-CZ3 3.59Å; F323-W722 HydrophobicContact CE2-CZ3 3.59Å; F323-W722 HydrophobicContact CZ-CH2 4.3Å; F323-W722 AromaticContact CZ-CZ3 3.85Å; F323-W722 HydrophobicContact CZ-CZ3 3.85Å; F323-Q723 HydrophobicContact CD2-CG 4.33Å; F323-Q723 HydrophobicContact CE2-CG 4.48Å; F323-F728 HydrophobicContact CE2-CE2 4.41Å; F323-F728 AromaticContact CE2-CZ 3.8Å; F323-F728 HydrophobicContact CE2-CZ 3.8Å; F323-F728 HydrophobicContact CZ-CZ 4.48Å
324	Y	86.7	Confident	93.3	Very high	5 Å²	5	29 Å²	29	2%	0.02	14%	0.143	C	C	.	.			trans	-124.4	161.9	-177.5	70.8	-80.1	0	0	0	111.5	H153 E155 E156 V326 R334 L830 R833	H153-Y324 HydrophobicContact CB-CE1 4.27Å; H153-Y324 AromaticContact CE1-CE2 3.5Å; H153-Y324 VanDerWaalsContact CE1-CE2 3.5Å; H153-Y324 WeakPolarHBondContact CE1-CE2 3.45Å; H153-Y324 AromaticContact CE1-CZ 3.76Å; H153-Y324 AromaticContact CG-CZ 3.81Å; H153-Y324 AromaticContact ND1-CE1 3.93Å; H153-Y324 AromaticContact ND1-CE2 3.4Å; H153-Y324 WeakPolarHBondContact ND1-CE2 3.44Å; H153-Y324 AromaticContact ND1-CZ 3.13Å; H153-Y324 PolarHBondContact ND1-OH 3.44Å; E155-Y324 PolarHBondContact OE1-OH 3.42Å; E156-Y324 WeakPolarHBondContact OE1-CD1 3.5Å; E156-Y324 PolarHBondContact OE1-N 2.89Å; Y324-V326 VanDerWaalsContact C-N 3.26Å; Y324-V326 PolarHBondContact O-N 2.9Å; Y324-V326 VanDerWaalsContact O-N 3.16Å; Y324-R334 PolarHBondContact O-NH1 2.87Å; Y324-R334 PolarHBondContact O-NH2 3.46Å; Y324-L830 HydrophobicContact CD1-CD2 4.44Å; Y324-L830 HydrophobicContact CE1-CD2 3.87Å; Y324-R833 HydrophobicContact CD1-CB 4.44Å; Y324-R833 HydrophobicContact CD2-CB 4.19Å; Y324-R833 HydrophobicContact CE1-CB 4.27Å; Y324-R833 HydrophobicContact CE1-CG 3.95Å; Y324-R833 HydrophobicContact CE2-CB 3.98Å; Y324-R833 HydrophobicContact CE2-CG 4.19Å; Y324-R833 HydrophobicContact CG-CB 4.4Å; Y324-R833 PolarHBondContact OH-NE 2.91Å
325	D	86.8	Confident	93.2	Very high	24 Å²	24	28.9 Å²	28.9	13%	0.128	14%	0.143	C	C	.	.			trans	47.1	45.3	179.3	-171.3	41.6	0	0	0	113.4	R152 H153 I327 R334	R152-D325 IonicContact CZ-OD2 2.73Å; R152-D325 IonicContact NH1-OD2 2.6Å; R152-D325 PolarHBondContact NH1-OD2 2.85Å; R152-D325 PolarHBondContact NH2-O 3.34Å; R152-D325 IonicContact NH2-OD2 2.77Å; R152-D325 PolarHBondContact NH2-OD2 3.42Å; H153-D325 IonicContact NE2-OD2 3.84Å; D325-I327 PolarHBondContact O-N 3.35Å; D325-I327 WeakPolarHBondContact OD1-CD1 3.31Å; D325-R334 PolarHBondContact O-NH1 3.48Å
326	V	90.9	Very high	93.1	Very high	29 Å²	29	28.3 Å²	28.3	18%	0.176	14%	0.141	C	C	.	.			trans	-81.1	108	178.7	-175.7	0	0	0	0	109.4	F323 Y324 D331 I335 Y716	F323-V326 HydrophobicContact CB-CG2 4.29Å; Y324-V326 VanDerWaalsContact C-N 3.26Å; Y324-V326 PolarHBondContact O-N 2.9Å; Y324-V326 VanDerWaalsContact O-N 3.16Å; V326-D331 WeakPolarHBondContact CA-OD2 3.46Å; V326-D331 HydrophobicContact CG1-CB 4.46Å; V326-I335 HydrophobicContact CG1-CD1 3.8Å; V326-I335 HydrophobicContact CG1-CG1 3.58Å; V326-Y716 HydrophobicContact CB-CE2 3.85Å; V326-Y716 HydrophobicContact CG1-CD2 3.85Å; V326-Y716 HydrophobicContact CG1-CE2 3.46Å; V326-Y716 VanDerWaalsContact CG1-CE2 3.46Å
327	I	89.3	Confident	93.1	Very high	60 Å²	60	28.3 Å²	28.3	31%	0.308	14%	0.141	S	C	.	.			trans	-114.1	114.6	-176.4	-57.3	173.9	0	0	0	109.7	D325 K329 Y330 D331	D325-I327 PolarHBondContact O-N 3.35Å; D325-I327 WeakPolarHBondContact OD1-CD1 3.31Å; I327-K329 HydrophobicContact CG2-CB 4.14Å; I327-K329 PolarHBondContact O-N 3.35Å; I327-Y330 HydrophobicContact CB-CD2 4.14Å; I327-Y330 HydrophobicContact CD1-CD2 4.15Å; I327-Y330 HydrophobicContact CG2-CD2 3.71Å; I327-Y330 HydrophobicContact CG2-CE2 4.2Å; I327-Y330 PolarHBondContact O-N 2.76Å; I327-D331 PolarHBondContact N-OD2 3.5Å; I327-D331 WeakPolarHBondContact O-CB 3.46Å; I327-D331 PolarHBondContact O-N 2.87Å
328	L	90.8	Very high	93.1	Very high	59 Å²	59	27.1 Å²	27.1	31%	0.309	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-35.6	-177.7	-83	68.8	0	0	0	113.5	Y330 I335 L712 E713 Y716	L328-Y330 VanDerWaalsContact C-N 3.3Å; L328-Y330 PolarHBondContact O-N 2.89Å; L328-I335 HydrophobicContact CD1-CD1 4.33Å; L328-I335 HydrophobicContact CG-CD1 4.21Å; L328-L712 HydrophobicContact CB-CD2 3.99Å; L328-L712 HydrophobicContact CG-CD2 4.23Å; L328-L712 HydrophobicContact CG-CG 4.36Å; L328-L712 WeakPolarHBondContact O-CD2 3.25Å; L328-E713 HydrophobicContact CD2-CG 3.61Å; L328-Y716 HydrophobicContact CD1-CD1 3.74Å; L328-Y716 HydrophobicContact CD1-CE1 4.06Å; L328-Y716 HydrophobicContact CD1-CG 4.07Å
329	K	88.1	Confident	93.1	Very high	162 Å²	162	27.1 Å²	27.1	70%	0.704	13%	0.133	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-33.2	179.8	-173.3	178.9	174.8	-167.8	0	113.5	I327	I327-K329 HydrophobicContact CG2-CB 4.14Å; I327-K329 PolarHBondContact O-N 3.35Å
330	Y	88.2	Confident	93.1	Very high	120 Å²	120	27.1 Å²	27.1	47%	0.471	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.5	-26	-171.6	-55.5	-55.1	0	0	0	113	I327 L328 A332	I327-Y330 HydrophobicContact CB-CD2 4.14Å; I327-Y330 HydrophobicContact CD1-CD2 4.15Å; I327-Y330 HydrophobicContact CG2-CD2 3.71Å; I327-Y330 HydrophobicContact CG2-CE2 4.2Å; I327-Y330 PolarHBondContact O-N 2.76Å; L328-Y330 VanDerWaalsContact C-N 3.3Å; L328-Y330 PolarHBondContact O-N 2.89Å; Y330-A332 PolarHBondContact O-N 3.36Å
331	D	93.1	Very high	93.1	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.138	C	C	.	.			trans	-99.1	29.4	-170.8	-69.7	-37	0	0	0	113.6	R152 V326 I327 V333 R334 I335	R152-D331 IonicContact CZ-OD1 2.62Å; R152-D331 IonicContact CZ-OD2 3.2Å; R152-D331 IonicContact NE-OD1 2.63Å; R152-D331 PolarHBondContact NE-OD1 2.78Å; R152-D331 IonicContact NE-OD2 3.96Å; R152-D331 IonicContact NH2-OD1 2.66Å; R152-D331 PolarHBondContact NH2-OD1 3.08Å; R152-D331 IonicContact NH2-OD2 2.95Å; R152-D331 PolarHBondContact NH2-OD2 3.13Å; V326-D331 WeakPolarHBondContact CA-OD2 3.46Å; V326-D331 HydrophobicContact CG1-CB 4.46Å; I327-D331 PolarHBondContact N-OD2 3.5Å; I327-D331 WeakPolarHBondContact O-CB 3.46Å; I327-D331 PolarHBondContact O-N 2.87Å; D331-V333 VanDerWaalsContact C-N 3.33Å; D331-V333 PolarHBondContact O-N 3.14Å; D331-R334 HydrophobicContact CB-CB 4.05Å; D331-R334 PolarHBondContact O-N 2.83Å; D331-R334 IonicContact OD1-NH1 3.32Å; D331-R334 IonicContact OD2-NH1 3.42Å; D331-R334 PolarHBondContact OD2-NH1 3.18Å; D331-I335 HydrophobicContact CB-CD1 3.97Å; D331-I335 HydrophobicContact CB-CG1 3.98Å; D331-I335 VanDerWaalsContact O-CB 3.25Å; D331-I335 WeakPolarHBondContact O-CB 3.36Å; D331-I335 VanDerWaalsContact O-CG1 3.23Å; D331-I335 WeakPolarHBondContact O-CG1 3.45Å; D331-I335 PolarHBondContact O-N 3.19Å
332	A	92.8	Very high	93.3	Very high	42 Å²	42	27.2 Å²	27.2	35%	0.347	13%	0.134	S	C	.	.	H	α-helix	trans	-54.5	-47.2	-178	0	0	0	0	0	112.6	Y330 H336 L712	Y330-A332 PolarHBondContact O-N 3.36Å; A332-H336 WeakPolarHBondContact O-CB 3.45Å; A332-H336 PolarHBondContact O-N 3.17Å; A332-H336 VanDerWaalsContact O-N 3.14Å; A332-L712 HydrophobicContact CB-CD1 4.45Å; A332-L712 HydrophobicContact CB-CD2 4.23Å
333	V	94.8	Very high	93.6	Very high	4 Å²	4	26.8 Å²	26.8	2%	0.024	13%	0.131	C	C	.	.	H	α-helix	trans	-70.6	-47.4	177.3	-175.7	0	0	0	0	110.9	L149 I151 F247 A251 D331 I335 H336 Q337	L149-V333 WeakPolarHBondContact O-CG1 3.27Å; I151-V333 HydrophobicContact CD1-CG1 4.25Å; I151-V333 HydrophobicContact CG1-CB 4.41Å; I151-V333 HydrophobicContact CG1-CG1 3.91Å; F247-V333 HydrophobicContact CD2-CG2 3.98Å; A251-V333 HydrophobicContact CB-CG2 4.27Å; D331-V333 VanDerWaalsContact C-N 3.33Å; D331-V333 PolarHBondContact O-N 3.14Å; V333-I335 PolarHBondContact O-N 2.81Å; V333-H336 PolarHBondContact O-N 2.67Å; V333-H336 VanDerWaalsContact O-N 3.16Å; V333-Q337 HydrophobicContact CG1-CG 4.23Å; V333-Q337 WeakPolarHBondContact O-CG 3.48Å; V333-Q337 PolarHBondContact O-N 2.85Å
334	R	95.8	Very high	93.9	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-57.7	-47.8	179.4	178	178.7	174.1	-141.6	4.5	112.1	I151 R152 H153 E156 F318 Y324 D325 D331 H336 Q337 L338	I151-R334 HydrophobicContact CG2-CB 4.13Å; I151-R334 HydrophobicContact CG2-CG 4.21Å; R152-R334 WeakPolarHBondContact O-CD 3.01Å; H153-R334 VanDerWaalsContact CD2-CZ 3.44Å; H153-R334 PolarHBondContact CD2-NH1 2.87Å; E156-R334 IonicContact OE1-CZ 3.46Å; E156-R334 IonicContact OE1-NH2 2.77Å; E156-R334 PolarHBondContact OE1-NH2 2.54Å; E156-R334 IonicContact OE2-CZ 3.9Å; E156-R334 IonicContact OE2-NE 3.49Å; E156-R334 PolarHBondContact OE2-NE 3.01Å; E156-R334 VanDerWaalsContact OE2-NE 3.14Å; E156-R334 IonicContact OE2-NH2 3.37Å; E156-R334 PolarHBondContact OE2-NH2 3.33Å; F318-R334 HydrophobicContact CE1-CG 4.42Å; F318-R334 HydrophobicContact CZ-CG 4.3Å; Y324-R334 PolarHBondContact O-NH1 2.87Å; Y324-R334 PolarHBondContact O-NH2 3.46Å; D325-R334 PolarHBondContact O-NH1 3.48Å; D331-R334 HydrophobicContact CB-CB 4.05Å; D331-R334 PolarHBondContact O-N 2.83Å; D331-R334 IonicContact OD1-NH1 3.32Å; D331-R334 IonicContact OD2-NH1 3.42Å; D331-R334 PolarHBondContact OD2-NH1 3.18Å; R334-H336 VanDerWaalsContact C-N 3.34Å; R334-H336 PolarHBondContact O-N 3.42Å; R334-Q337 PolarHBondContact O-N 2.93Å; R334-L338 HydrophobicContact CG-CD1 4.25Å; R334-L338 WeakPolarHBondContact O-CB 3.48Å; R334-L338 WeakPolarHBondContact O-CG 3.5Å; R334-L338 PolarHBondContact O-N 3.41Å
335	I	97.2	Very high	94.3	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.005	13%	0.129	C	C	.	.	H	α-helix	trans	-61	-43.9	176.1	-70.2	165.4	0	0	0	110.3	V326 L328 D331 V333 L338 Y339 L712 K715 Y716	V326-I335 HydrophobicContact CG1-CD1 3.8Å; V326-I335 HydrophobicContact CG1-CG1 3.58Å; L328-I335 HydrophobicContact CD1-CD1 4.33Å; L328-I335 HydrophobicContact CG-CD1 4.21Å; D331-I335 HydrophobicContact CB-CD1 3.97Å; D331-I335 HydrophobicContact CB-CG1 3.98Å; D331-I335 VanDerWaalsContact O-CB 3.25Å; D331-I335 WeakPolarHBondContact O-CB 3.36Å; D331-I335 VanDerWaalsContact O-CG1 3.23Å; D331-I335 WeakPolarHBondContact O-CG1 3.45Å; D331-I335 PolarHBondContact O-N 3.19Å; V333-I335 PolarHBondContact O-N 2.81Å; I335-L338 PolarHBondContact O-N 2.8Å; I335-Y339 VanDerWaalsContact O-CB 3.24Å; I335-Y339 WeakPolarHBondContact O-CB 3.4Å; I335-Y339 PolarHBondContact O-N 3.24Å; I335-L712 HydrophobicContact CB-CD1 3.82Å; I335-L712 HydrophobicContact CD1-CD1 4Å; I335-L712 HydrophobicContact CD1-CD2 4.24Å; I335-L712 HydrophobicContact CD1-CG 4.1Å; I335-L712 HydrophobicContact CG2-CD1 3.63Å; I335-L712 HydrophobicContact CG2-CG 4.45Å; I335-K715 HydrophobicContact CG2-CB 3.86Å; I335-Y716 HydrophobicContact CD1-CD2 4.37Å; I335-Y716 HydrophobicContact CG1-CD2 4.35Å
336	H	96.5	Very high	94.8	Very high	3 Å²	3	25.1 Å²	25.1	1%	0.014	12%	0.123	C	C	.	.	H	α-helix	trans	-61.9	-47.6	177.1	176.2	73.3	0	0	0	111.8	Y250 A251 A332 V333 R334 L338 Y339 E340 K715	Y250-H336 PolarHBondContact O-CD2 3.04Å; Y250-H336 PolarHBondContact O-NE2 2.96Å; A251-H336 HydrophobicContact CB-CB 4.25Å; A251-H336 PolarHBondContact O-ND1 2.79Å; A332-H336 WeakPolarHBondContact O-CB 3.45Å; A332-H336 PolarHBondContact O-N 3.17Å; A332-H336 VanDerWaalsContact O-N 3.14Å; V333-H336 PolarHBondContact O-N 2.67Å; V333-H336 VanDerWaalsContact O-N 3.16Å; R334-H336 VanDerWaalsContact C-N 3.34Å; R334-H336 PolarHBondContact O-N 3.42Å; H336-L338 PolarHBondContact O-N 3.33Å; H336-Y339 WeakPolarHBondContact O-CB 3.24Å; H336-Y339 PolarHBondContact O-N 3.03Å; H336-E340 IonicContact CE1-OE1 3.98Å; H336-E340 PolarHBondContact CE1-OE1 3.09Å; H336-E340 VanDerWaalsContact O-CG 3.24Å; H336-E340 WeakPolarHBondContact O-CG 3.39Å; H336-E340 PolarHBondContact O-N 3.03Å; H336-K715 HydrophobicContact CB-CD 4.3Å; H336-K715 WeakPolarHBondContact ND1-CE 3.23Å; H336-K715 PolarHBondContact ND1-NZ 3.13Å; H336-K715 VanDerWaalsContact ND1-NZ 3.16Å
337	Q	97.4	Very high	95.1	Very high	1 Å²	1	24 Å²	24	1%	0.005	12%	0.116	C	C	.	.	H	α-helix	trans	-63.4	-39.3	178.4	-62.1	-52	-36.1	0	0	112.1	P123 S124 I151 Y250 F318 V333 R334 E340 Q341	P123-Q337 HydrophobicContact CB-CB 4.06Å; P123-Q337 WeakPolarHBondContact CB-O 3.07Å; P123-Q337 HydrophobicContact CG-CB 4Å; S124-Q337 PolarHBondContact OG-OE1 2.98Å; I151-Q337 HydrophobicContact CD1-CG 4.13Å; Y250-Q337 PolarHBondContact O-NE2 3.47Å; F318-Q337 HydrophobicContact CE2-CB 3.83Å; F318-Q337 HydrophobicContact CZ-CB 4.3Å; V333-Q337 HydrophobicContact CG1-CG 4.23Å; V333-Q337 WeakPolarHBondContact O-CG 3.48Å; V333-Q337 PolarHBondContact O-N 2.85Å; R334-Q337 PolarHBondContact O-N 2.93Å; Q337-E340 PolarHBondContact O-N 2.94Å; Q337-Q341 PolarHBondContact O-N 3.12Å
338	L	97.5	Very high	95.3	Very high	2 Å²	2	21.3 Å²	21.3	1%	0.01	10%	0.102	C	C	.	.	H	α-helix	trans	-60.4	-47.2	172.8	-81.6	169.9	0	0	0	111.9	F318 F323 R334 I335 H336 E340 Q341 A342 V719	F318-L338 HydrophobicContact CB-CD2 4.36Å; F318-L338 HydrophobicContact CD1-CD2 3.5Å; F318-L338 HydrophobicContact CD1-CG 4.19Å; F318-L338 HydrophobicContact CD2-CD2 3.69Å; F318-L338 HydrophobicContact CD2-CG 4.21Å; F318-L338 HydrophobicContact CE1-CD1 4.35Å; F318-L338 HydrophobicContact CE1-CD2 3.57Å; F318-L338 HydrophobicContact CE1-CG 3.71Å; F318-L338 HydrophobicContact CE2-CB 4.36Å; F318-L338 HydrophobicContact CE2-CD2 3.75Å; F318-L338 HydrophobicContact CE2-CG 3.74Å; F318-L338 HydrophobicContact CG-CD2 3.58Å; F318-L338 HydrophobicContact CG-CG 4.43Å; F318-L338 HydrophobicContact CZ-CB 4.46Å; F318-L338 HydrophobicContact CZ-CD1 4.4Å; F318-L338 HydrophobicContact CZ-CD2 3.71Å; F318-L338 HydrophobicContact CZ-CG 3.48Å; F318-L338 VanDerWaalsContact CZ-CG 3.48Å; F323-L338 HydrophobicContact CD1-CD1 4.48Å; F323-L338 HydrophobicContact CD1-CD2 3.75Å; F323-L338 HydrophobicContact CD2-CD2 4.14Å; F323-L338 HydrophobicContact CE1-CD2 3.44Å; F323-L338 VanDerWaalsContact CE1-CD2 3.44Å; F323-L338 HydrophobicContact CE2-CD2 3.87Å; F323-L338 HydrophobicContact CG-CD1 4.34Å; F323-L338 HydrophobicContact CG-CD2 4.11Å; F323-L338 HydrophobicContact CZ-CD2 3.51Å; R334-L338 HydrophobicContact CG-CD1 4.25Å; R334-L338 WeakPolarHBondContact O-CB 3.48Å; R334-L338 WeakPolarHBondContact O-CG 3.5Å; R334-L338 PolarHBondContact O-N 3.41Å; I335-L338 PolarHBondContact O-N 2.8Å; H336-L338 PolarHBondContact O-N 3.33Å; L338-E340 PolarHBondContact O-N 3.4Å; L338-Q341 PolarHBondContact O-N 3.43Å; L338-A342 WeakPolarHBondContact O-CB 3.43Å; L338-A342 PolarHBondContact O-N 3.26Å; L338-V719 HydrophobicContact CB-CG1 4.43Å; L338-V719 HydrophobicContact CB-CG2 3.89Å
339	Y	98	Very high	95.4	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-60.7	-43.8	178.2	156.2	-107	0	0	0	111.8	R256 I335 H336 A342 R343 K715 Y718	R256-Y339 PolarHBondContact NH1-OH 3.36Å; R256-Y339 PolarHBondContact NH2-OH 3.07Å; I335-Y339 VanDerWaalsContact O-CB 3.24Å; I335-Y339 WeakPolarHBondContact O-CB 3.4Å; I335-Y339 PolarHBondContact O-N 3.24Å; H336-Y339 WeakPolarHBondContact O-CB 3.24Å; H336-Y339 PolarHBondContact O-N 3.03Å; Y339-A342 WeakPolarHBondContact O-CB 3.23Å; Y339-A342 PolarHBondContact O-N 3.03Å; Y339-R343 PolarHBondContact O-N 3.39Å; Y339-K715 HydrophobicContact CD1-CB 4.29Å; Y339-K715 HydrophobicContact CD1-CD 4.08Å; Y339-K715 HydrophobicContact CD1-CG 3.71Å; Y339-K715 HydrophobicContact CD2-CB 4.47Å; Y339-K715 HydrophobicContact CD2-CG 4.43Å; Y339-K715 HydrophobicContact CE1-CD 4.48Å; Y339-K715 HydrophobicContact CE1-CG 4.02Å; Y339-K715 HydrophobicContact CG-CB 4Å; Y339-K715 HydrophobicContact CG-CG 3.91Å; Y339-Y718 AromaticContact CD2-CD1 3.73Å; Y339-Y718 HydrophobicContact CD2-CD1 3.73Å; Y339-Y718 AromaticContact CD2-CD2 3.87Å; Y339-Y718 HydrophobicContact CD2-CD2 3.87Å; Y339-Y718 HydrophobicContact CD2-CE1 4.32Å; Y339-Y718 HydrophobicContact CD2-CE2 4.41Å; Y339-Y718 AromaticContact CD2-CG 3.51Å; Y339-Y718 HydrophobicContact CD2-CG 3.51Å; Y339-Y718 HydrophobicContact CE2-CD1 4.16Å; Y339-Y718 AromaticContact CE2-CD2 3.5Å; Y339-Y718 HydrophobicContact CE2-CD2 3.5Å; Y339-Y718 AromaticContact CE2-CE2 3.87Å; Y339-Y718 HydrophobicContact CE2-CE2 3.87Å; Y339-Y718 AromaticContact CE2-CG 3.68Å; Y339-Y718 HydrophobicContact CE2-CG 3.68Å
340	E	97.8	Very high	95.6	Very high	1 Å²	1	14.5 Å²	14.5	1%	0.005	8%	0.077	C	C	.	.	H	α-helix	trans	-64.7	-44.2	176.9	-66.7	-75.1	130.9	0	0	111.4	R256 H336 Q337 L338 A342 R343 W344	R256-E340 IonicContact CZ-OE1 2.82Å; R256-E340 IonicContact NE-OE1 3.25Å; R256-E340 PolarHBondContact NE-OE1 2.96Å; R256-E340 IonicContact NH2-OE1 2.73Å; R256-E340 PolarHBondContact NH2-OE1 3.48Å; H336-E340 IonicContact CE1-OE1 3.98Å; H336-E340 PolarHBondContact CE1-OE1 3.09Å; H336-E340 VanDerWaalsContact O-CG 3.24Å; H336-E340 WeakPolarHBondContact O-CG 3.39Å; H336-E340 PolarHBondContact O-N 3.03Å; Q337-E340 PolarHBondContact O-N 2.94Å; L338-E340 PolarHBondContact O-N 3.4Å; E340-A342 VanDerWaalsContact C-N 3.34Å; E340-A342 PolarHBondContact O-N 3.25Å; E340-R343 PolarHBondContact O-N 2.76Å; E340-R343 IonicContact OE1-CZ 2.86Å; E340-R343 IonicContact OE1-NH1 3.59Å; E340-R343 PolarHBondContact OE1-NH1 2.88Å; E340-R343 IonicContact OE1-NH2 3.8Å; E340-R343 IonicContact OE2-CZ 3.8Å; E340-R343 IonicContact OE2-NH1 3.57Å; E340-R343 PolarHBondContact OE2-NH1 3.42Å; E340-R343 IonicContact OE2-NH2 3.58Å; E340-R343 PolarHBondContact OE2-NH2 3.35Å; E340-W344 PolarHBondContact O-N 2.87Å
341	Q	97.5	Very high	95.7	Very high	28 Å²	28	9.6 Å²	9.6	13%	0.131	6%	0.058	C	C	.	.	H	α-helix	trans	-59.4	-45.7	173.9	-171.3	166.2	-56.7	0	0	111.6	P123 F318 Q337 L338 R343 W344 S345	P123-Q341 HydrophobicContact CB-CB 4.14Å; F318-Q341 PolarHBondContact O-NE2 3.36Å; Q337-Q341 PolarHBondContact O-N 3.12Å; L338-Q341 PolarHBondContact O-N 3.43Å; Q341-R343 VanDerWaalsContact C-N 3.35Å; Q341-R343 PolarHBondContact O-N 3.25Å; Q341-W344 PolarHBondContact O-N 3.47Å; Q341-S345 VanDerWaalsContact O-CB 3.29Å; Q341-S345 WeakPolarHBondContact O-CB 3.39Å; Q341-S345 PolarHBondContact O-N 3.16Å
342	A	97.7	Very high	95.4	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-58.2	-47.1	177.5	0	0	0	0	0	111	L338 Y339 E340 S345 L346 Y718 W722	L338-A342 WeakPolarHBondContact O-CB 3.43Å; L338-A342 PolarHBondContact O-N 3.26Å; Y339-A342 WeakPolarHBondContact O-CB 3.23Å; Y339-A342 PolarHBondContact O-N 3.03Å; E340-A342 VanDerWaalsContact C-N 3.34Å; E340-A342 PolarHBondContact O-N 3.25Å; A342-S345 PolarHBondContact O-N 3.3Å; A342-S345 PolarHBondContact O-OG 2.84Å; A342-L346 PolarHBondContact O-N 2.99Å; A342-Y718 HydrophobicContact CB-CD1 4.06Å; A342-Y718 HydrophobicContact CB-CE1 3.77Å; A342-W722 HydrophobicContact CB-CB 4.11Å; A342-W722 HydrophobicContact CB-CD2 3.42Å; A342-W722 VanDerWaalsContact CB-CD2 3.42Å; A342-W722 HydrophobicContact CB-CE3 3.57Å; A342-W722 HydrophobicContact CB-CG 3.67Å; A342-W722 HydrophobicContact CB-CH2 4.45Å; A342-W722 HydrophobicContact CB-CZ2 4.32Å; A342-W722 HydrophobicContact CB-CZ3 4.08Å
343	R	97.7	Very high	95.2	Very high	1 Å²	1	11.1 Å²	11.1	0%	0.004	6%	0.06	C	C	.	.	H	α-helix	trans	-59.1	-52.1	176.2	-169.3	-173.8	67.5	-104.8	1.2	111.8	R256 Y339 E340 Q341 S345 L346 L347 Y718	R256-R343 VanDerWaalsContact NE-NH1 3.14Å; Y339-R343 PolarHBondContact O-N 3.39Å; E340-R343 PolarHBondContact O-N 2.76Å; E340-R343 IonicContact OE1-CZ 2.86Å; E340-R343 IonicContact OE1-NH1 3.59Å; E340-R343 PolarHBondContact OE1-NH1 2.88Å; E340-R343 IonicContact OE1-NH2 3.8Å; E340-R343 IonicContact OE2-CZ 3.8Å; E340-R343 IonicContact OE2-NH1 3.57Å; E340-R343 PolarHBondContact OE2-NH1 3.42Å; E340-R343 IonicContact OE2-NH2 3.58Å; E340-R343 PolarHBondContact OE2-NH2 3.35Å; Q341-R343 VanDerWaalsContact C-N 3.35Å; Q341-R343 PolarHBondContact O-N 3.25Å; R343-S345 PolarHBondContact O-N 3.25Å; R343-L346 PolarHBondContact O-N 2.92Å; R343-L346 VanDerWaalsContact O-N 3.07Å; R343-L347 HydrophobicContact CG-CD1 3.93Å; R343-L347 HydrophobicContact CG-CG 4.2Å; R343-L347 WeakPolarHBondContact O-CG 3.5Å; R343-L347 PolarHBondContact O-N 3.16Å; R343-Y718 WeakPolarHBondContact CA-OH 3.34Å
344	W	97.4	Very high	94.9	Very high	10 Å²	10	13.9 Å²	13.9	4%	0.038	8%	0.078	C	C	.	.	H	α-helix	trans	-60.7	-35.7	-179.9	-70.4	127.8	0	0	0	112.9	P123 L125 R257 A259 V262 L268 E340 Q341 L346 L347 S348	P123-W344 VanDerWaalsContact O-CD1 3.26Å; L125-W344 HydrophobicContact CD1-CD2 3.88Å; L125-W344 VanDerWaalsContact CD1-CE2 3.47Å; L125-W344 HydrophobicContact CD1-CE3 4.45Å; L125-W344 HydrophobicContact CD1-CG 4.3Å; L125-W344 HydrophobicContact CD1-CH2 4.36Å; L125-W344 HydrophobicContact CD1-CZ2 3.74Å; L125-W344 HydrophobicContact CG-CZ2 4.46Å; R257-W344 WeakPolarHBondContact O-CH2 3.3Å; A259-W344 HydrophobicContact CB-CZ3 4.2Å; V262-W344 HydrophobicContact CB-CH2 4.3Å; V262-W344 HydrophobicContact CB-CZ3 4.32Å; V262-W344 HydrophobicContact CG1-CE3 4.46Å; V262-W344 HydrophobicContact CG1-CH2 4.46Å; V262-W344 HydrophobicContact CG1-CZ3 4.19Å; V262-W344 HydrophobicContact CG2-CH2 3.74Å; V262-W344 HydrophobicContact CG2-CZ2 4.16Å; V262-W344 HydrophobicContact CG2-CZ3 4.24Å; L268-W344 HydrophobicContact CD1-CB 3.68Å; L268-W344 HydrophobicContact CD1-CD2 3.94Å; L268-W344 HydrophobicContact CD1-CE3 4.07Å; L268-W344 HydrophobicContact CD1-CG 3.77Å; E340-W344 PolarHBondContact O-N 2.87Å; Q341-W344 PolarHBondContact O-N 3.47Å; W344-L346 VanDerWaalsContact C-N 3.29Å; W344-L346 PolarHBondContact O-N 3.03Å; W344-L347 HydrophobicContact CE3-CD1 4.01Å; W344-L347 HydrophobicContact CZ3-CD1 3.88Å; W344-S348 VanDerWaalsContact O-CB 3.24Å; W344-S348 WeakPolarHBondContact O-CB 3.26Å; W344-S348 PolarHBondContact O-N 3.11Å; W344-S348 PolarHBondContact O-OG 2.82Å
345	S	96.1	Very high	94.6	Very high	4 Å²	4	15.9 Å²	15.9	3%	0.028	9%	0.087	C	C	.	.	H	α-helix	trans	-65.1	-31.4	176.9	85.6	0	0	0	0	113	Q341 A342 R343 S348 Q350 F351 W722	Q341-S345 VanDerWaalsContact O-CB 3.29Å; Q341-S345 WeakPolarHBondContact O-CB 3.39Å; Q341-S345 PolarHBondContact O-N 3.16Å; A342-S345 PolarHBondContact O-N 3.3Å; A342-S345 PolarHBondContact O-OG 2.84Å; R343-S345 PolarHBondContact O-N 3.25Å; S345-S348 PolarHBondContact O-OG 3.24Å; S345-Q350 WeakPolarHBondContact O-CB 3.27Å; S345-Q350 PolarHBondContact O-N 3.41Å; S345-F351 VanDerWaalsContact CB-CD2 3.48Å; S345-F351 PolarHBondContact O-N 2.68Å; S345-F351 VanDerWaalsContact O-N 3.16Å; S345-F351 VanDerWaalsContact OG-CD2 3.23Å; S345-F351 WeakPolarHBondContact OG-CD2 3.15Å; S345-W722 PolarHBondContact OG-NE1 2.96Å
346	L	96.4	Very high	94.2	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-79.8	-46.6	176.1	-73.5	163.3	0	0	0	112	A342 R343 W344 S348 G349 F351 C353 M358 F361 N682 Y718 L725	A342-L346 PolarHBondContact O-N 2.99Å; R343-L346 PolarHBondContact O-N 2.92Å; R343-L346 VanDerWaalsContact O-N 3.07Å; W344-L346 VanDerWaalsContact C-N 3.29Å; W344-L346 PolarHBondContact O-N 3.03Å; L346-S348 VanDerWaalsContact C-N 3.3Å; L346-S348 PolarHBondContact O-N 3.35Å; L346-G349 PolarHBondContact O-N 3.43Å; L346-G349 VanDerWaalsContact O-N 3.12Å; L346-F351 HydrophobicContact CD2-CB 4.16Å; L346-C353 HydrophobicContact CD2-CB 4.22Å; L346-M358 HydrophobicContact CB-CE 4.29Å; L346-F361 HydrophobicContact CD1-CD1 3.96Å; L346-F361 HydrophobicContact CD1-CD2 3.77Å; L346-F361 HydrophobicContact CD1-CE1 4.06Å; L346-F361 HydrophobicContact CD1-CE2 3.9Å; L346-F361 HydrophobicContact CD1-CG 3.82Å; L346-F361 HydrophobicContact CD1-CZ 4.05Å; L346-F361 HydrophobicContact CD2-CE2 4.38Å; L346-N682 WeakPolarHBondContact O-CB 3.43Å; L346-Y718 HydrophobicContact CD1-CE1 3.99Å; L346-Y718 WeakPolarHBondContact CD1-OH 3.48Å; L346-L725 HydrophobicContact CD2-CD1 3.66Å
347	L	96.7	Very high	94	Very high	5 Å²	5	17.3 Å²	17.3	3%	0.026	9%	0.094	C	C	.	.	H	α-helix	trans	-65.1	-33.1	179.8	-64.6	-178.3	0	0	0	112.7	A259 F263 R343 W344 G349	A259-L347 HydrophobicContact CB-CD1 4.3Å; F263-L347 HydrophobicContact CE2-CB 4.38Å; F263-L347 HydrophobicContact CZ-CB 4.31Å; R343-L347 HydrophobicContact CG-CD1 3.93Å; R343-L347 HydrophobicContact CG-CG 4.2Å; R343-L347 WeakPolarHBondContact O-CG 3.5Å; R343-L347 PolarHBondContact O-N 3.16Å; W344-L347 HydrophobicContact CE3-CD1 4.01Å; W344-L347 HydrophobicContact CZ3-CD1 3.88Å; L347-G349 VanDerWaalsContact C-N 3.3Å
348	S	94.8	Very high	93.8	Very high	4 Å²	4	17.3 Å²	17.3	3%	0.028	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-14.9	175.7	59.4	0	0	0	0	113.7	W344 S345 L346 Q350	W344-S348 VanDerWaalsContact O-CB 3.24Å; W344-S348 WeakPolarHBondContact O-CB 3.26Å; W344-S348 PolarHBondContact O-N 3.11Å; W344-S348 PolarHBondContact O-OG 2.82Å; S345-S348 PolarHBondContact O-OG 3.24Å; L346-S348 VanDerWaalsContact C-N 3.3Å; L346-S348 PolarHBondContact O-N 3.35Å; S348-Q350 VanDerWaalsContact C-N 3.33Å; S348-Q350 WeakPolarHBondContact OG-CG 3.48Å
349	G	92.5	Very high	93.7	Very high	19 Å²	19	17.6 Å²	17.6	20%	0.196	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.3	18.9	-174	0	0	0	0	0	114	K277 L346 L347 F351	K277-G349 WeakPolarHBondContact CE-O 3.27Å; L346-G349 PolarHBondContact O-N 3.43Å; L346-G349 VanDerWaalsContact O-N 3.12Å; L347-G349 VanDerWaalsContact C-N 3.3Å; G349-F351 VanDerWaalsContact C-N 3.34Å
350	Q	92	Very high	93.4	Very high	60 Å²	60	17.8 Å²	17.8	28%	0.28	10%	0.097	S	C	.	.	S	Bend	trans	-65	-42.3	170.4	-71.4	176.5	23.7	0	0	110.6	P271 K277 L280 S345 S348	P271-Q350 HydrophobicContact CG-CG 3.88Å; K277-Q350 VanDerWaalsContact CE-O 3.27Å; K277-Q350 WeakPolarHBondContact CE-O 3.38Å; K277-Q350 PolarHBondContact NZ-O 3.08Å; L280-Q350 HydrophobicContact CD1-CG 3.73Å; S345-Q350 WeakPolarHBondContact O-CB 3.27Å; S345-Q350 PolarHBondContact O-N 3.41Å; S348-Q350 VanDerWaalsContact C-N 3.33Å; S348-Q350 WeakPolarHBondContact OG-CG 3.48Å
351	F	90.5	Very high	93.4	Very high	16 Å²	16	17.8 Å²	17.8	7%	0.07	10%	0.097	C	C	.	.	S	Bend	trans	-102.1	134.3	170.1	-68.6	-88.9	0	0	0	110.8	F321 S345 L346 G349 W722 G727	F321-F351 HydrophobicContact CD1-CZ 4.41Å; F321-F351 HydrophobicContact CE1-CE2 4.09Å; F321-F351 AromaticContact CE1-CZ 3.65Å; F321-F351 HydrophobicContact CE1-CZ 3.65Å; F321-F351 HydrophobicContact CZ-CE2 4.48Å; F321-F351 HydrophobicContact CZ-CZ 4.12Å; S345-F351 VanDerWaalsContact CB-CD2 3.48Å; S345-F351 PolarHBondContact O-N 2.68Å; S345-F351 VanDerWaalsContact O-N 3.16Å; S345-F351 VanDerWaalsContact OG-CD2 3.23Å; S345-F351 WeakPolarHBondContact OG-CD2 3.15Å; L346-F351 HydrophobicContact CD2-CB 4.16Å; G349-F351 VanDerWaalsContact C-N 3.34Å; F351-W722 AromaticContact CD2-NE1 3.85Å; F351-W722 HydrophobicContact CE2-CZ2 4.02Å; F351-W722 HydrophobicContact CZ-CZ2 4.33Å; F351-G727 WeakPolarHBondContact CE1-O 3.38Å
352	D	86.1	Confident	93.4	Very high	67 Å²	67	16.4 Å²	16.4	36%	0.358	9%	0.091	S	C	.	.			trans	-89	129.5	174.8	-72.9	-72.7	0	0	0	109.4	K277 R684	K277-D352 IonicContact NZ-OD2 3.29Å; K277-D352 PolarHBondContact NZ-OD2 2.9Å; D352-R684 IonicContact OD1-CZ 3.64Å; D352-R684 IonicContact OD1-NH1 3.54Å; D352-R684 PolarHBondContact OD1-NH1 3.21Å; D352-R684 IonicContact OD1-NH2 3.71Å; D352-R684 PolarHBondContact OD1-NH2 3.19Å
353	C	89.3	Confident	93.3	Very high	7 Å²	7	16.5 Å²	16.5	5%	0.047	9%	0.092	C	C	.	.			trans	-134.6	160.5	170	73.4	0	0	0	0	110.7	L346 E357 M358 R684 L725	L346-C353 HydrophobicContact CD2-CB 4.22Å; C353-E357 WeakPolarHBondContact CA-OE2 3.47Å; C353-E357 HydrophobicContact CB-CB 4.05Å; C353-M358 WeakPolarHBondContact SG-CE 3.38Å; C353-R684 PolarHBondContact O-NH2 3.09Å; C353-L725 HydrophobicContact CB-CD1 4.32Å; C353-L725 HydrophobicContact CB-CD2 3.82Å
354	T	88.8	Confident	93.2	Very high	63 Å²	63	16.9 Å²	16.9	39%	0.387	9%	0.093	S	C	.	.			trans	-71.4	168.9	171.7	63.4	0	0	0	0	111.3	E357 M358	T354-E357 WeakPolarHBondContact CB-OE2 3.35Å; T354-E357 WeakPolarHBondContact CG2-OE2 3.37Å; T354-E357 PolarHBondContact N-OE2 3.1Å; T354-E357 WeakPolarHBondContact OG1-CB 3.34Å; T354-E357 VanDerWaalsContact OG1-CD 3.23Å; T354-E357 WeakPolarHBondContact OG1-CG 3.48Å; T354-E357 PolarHBondContact OG1-N 3.1Å; T354-E357 PolarHBondContact OG1-OE2 3.24Å; T354-M358 WeakPolarHBondContact O-CB 3.26Å; T354-M358 PolarHBondContact O-N 3.21Å
355	E	89	Confident	93.1	Very high	41 Å²	41	16.4 Å²	16.4	19%	0.192	9%	0.091	C	C	.	.	H	α-helix	trans	-64.4	-41.6	174.2	-176.6	174.1	172.4	0	0	111.4	M358 V359 I685 R698	E355-M358 PolarHBondContact O-N 2.63Å; E355-V359 WeakPolarHBondContact O-CG2 3.22Å; E355-V359 PolarHBondContact O-N 3.35Å; E355-I685 HydrophobicContact CB-CD1 4.11Å; E355-I685 HydrophobicContact CG-CG2 4.11Å; E355-R698 IonicContact OE1-CZ 3.66Å; E355-R698 IonicContact OE1-NH1 3.82Å; E355-R698 PolarHBondContact OE1-NH1 2.95Å
356	D	89	Confident	93.1	Very high	24 Å²	24	16.3 Å²	16.3	13%	0.128	9%	0.09	C	C	.	.	H	α-helix	trans	-66.6	-42.5	-179.8	-61.1	-17.9	0	0	0	111.3	V359 V360 R698	D356-V359 PolarHBondContact O-N 3.35Å; D356-V360 WeakPolarHBondContact O-CG2 3.47Å; D356-V360 PolarHBondContact O-N 2.97Å; D356-R698 IonicContact OD1-CZ 3.18Å; D356-R698 IonicContact OD1-NH2 2.72Å; D356-R698 PolarHBondContact OD1-NH2 2.81Å
357	E	91.7	Very high	93	Very high	11 Å²	11	16.5 Å²	16.5	5%	0.051	9%	0.091	C	C	.	.	H	α-helix	trans	-62.6	-42	173.1	-71.1	163.6	148.1	0	0	112	C353 T354 V359 V360 F361 L725	C353-E357 WeakPolarHBondContact CA-OE2 3.47Å; C353-E357 HydrophobicContact CB-CB 4.05Å; T354-E357 WeakPolarHBondContact CB-OE2 3.35Å; T354-E357 WeakPolarHBondContact CG2-OE2 3.37Å; T354-E357 PolarHBondContact N-OE2 3.1Å; T354-E357 WeakPolarHBondContact OG1-CB 3.34Å; T354-E357 VanDerWaalsContact OG1-CD 3.23Å; T354-E357 WeakPolarHBondContact OG1-CG 3.48Å; T354-E357 PolarHBondContact OG1-N 3.1Å; T354-E357 PolarHBondContact OG1-OE2 3.24Å; E357-V359 VanDerWaalsContact C-N 3.32Å; E357-V359 PolarHBondContact O-N 2.94Å; E357-V360 PolarHBondContact O-N 3.07Å; E357-F361 HydrophobicContact CB-CE2 4.36Å; E357-F361 WeakPolarHBondContact O-CD2 3.35Å; E357-F361 PolarHBondContact O-N 3.12Å; E357-L725 HydrophobicContact CB-CD2 4.32Å; E357-L725 HydrophobicContact CG-CD2 4.25Å
358	M	94.5	Very high	92.9	Very high	1 Å²	1	16.2 Å²	16.2	1%	0.005	9%	0.09	C	C	.	.	H	α-helix	trans	-62.7	-39.4	178.1	-173.2	61	75	0	0	111.9	L346 C353 T354 E355 V360 F361 A362 C681 N682 I685	L346-M358 HydrophobicContact CB-CE 4.29Å; C353-M358 WeakPolarHBondContact SG-CE 3.38Å; T354-M358 WeakPolarHBondContact O-CB 3.26Å; T354-M358 PolarHBondContact O-N 3.21Å; E355-M358 PolarHBondContact O-N 2.63Å; M358-V360 VanDerWaalsContact C-N 3.31Å; M358-V360 PolarHBondContact O-N 3.28Å; M358-F361 PolarHBondContact O-N 3.4Å; M358-A362 WeakPolarHBondContact O-CB 3.44Å; M358-A362 PolarHBondContact O-N 3.42Å; M358-C681 HydrophobicContact CG-CB 4.03Å; M358-N682 HydrophobicContact CE-CB 4.14Å; M358-I685 HydrophobicContact CB-CG1 4.04Å; M358-I685 HydrophobicContact CB-CG2 4.31Å; M358-I685 HydrophobicContact CE-CG1 4.45Å; M358-I685 HydrophobicContact CG-CB 4.33Å; M358-I685 HydrophobicContact CG-CG1 4.06Å; M358-I685 HydrophobicContact CG-CG2 4.15Å
359	V	93.6	Very high	92.8	Very high	8 Å²	8	18.4 Å²	18.4	5%	0.048	10%	0.1	C	C	.	.	H	α-helix	trans	-60.2	-42.2	175.1	167	0	0	0	0	111	E355 D356 E357 A362 A363 L695 R698 I699 A702	E355-V359 WeakPolarHBondContact O-CG2 3.22Å; E355-V359 PolarHBondContact O-N 3.35Å; D356-V359 PolarHBondContact O-N 3.35Å; E357-V359 VanDerWaalsContact C-N 3.32Å; E357-V359 PolarHBondContact O-N 2.94Å; V359-A362 PolarHBondContact O-N 3.18Å; V359-A363 WeakPolarHBondContact O-CB 3.49Å; V359-A363 PolarHBondContact O-N 3.11Å; V359-L695 HydrophobicContact CG2-CD1 3.84Å; V359-R698 HydrophobicContact CG1-CB 4.3Å; V359-R698 WeakPolarHBondContact CG1-O 3.46Å; V359-R698 HydrophobicContact CG2-CB 4.34Å; V359-I699 HydrophobicContact CG1-CG1 4.32Å; V359-I699 HydrophobicContact CG2-CG1 4.39Å; V359-A702 HydrophobicContact CG1-CB 3.84Å
360	V	93.3	Very high	92.8	Very high	4 Å²	4	18.9 Å²	18.9	2%	0.024	10%	0.098	C	C	.	.	H	α-helix	trans	-63.9	-44.1	176.2	173.9	0	0	0	0	111.5	D356 E357 M358 A363 Y364 L653 L656 Q657 T721	D356-V360 WeakPolarHBondContact O-CG2 3.47Å; D356-V360 PolarHBondContact O-N 2.97Å; E357-V360 PolarHBondContact O-N 3.07Å; M358-V360 VanDerWaalsContact C-N 3.31Å; M358-V360 PolarHBondContact O-N 3.28Å; V360-A363 PolarHBondContact O-N 3.46Å; V360-Y364 HydrophobicContact CG1-CD2 3.92Å; V360-Y364 HydrophobicContact CG1-CE2 3.48Å; V360-Y364 VanDerWaalsContact CG1-CE2 3.48Å; V360-Y364 VanDerWaalsContact O-CD2 3.26Å; V360-Y364 WeakPolarHBondContact O-CD2 3.33Å; V360-Y364 PolarHBondContact O-N 3.19Å; V360-L653 HydrophobicContact CG1-CD1 4.4Å; V360-L656 HydrophobicContact CG2-CB 4.39Å; V360-Q657 HydrophobicContact CG2-CG 3.75Å; V360-T721 HydrophobicContact CG1-CG2 4.44Å
361	F	97.3	Very high	92.8	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-61.2	-44.5	174.6	-73.3	-62.5	0	0	0	112.5	L346 E357 M358 A363 Y364 Q365 Y718 T721 W722 L725	L346-F361 HydrophobicContact CD1-CD1 3.96Å; L346-F361 HydrophobicContact CD1-CD2 3.77Å; L346-F361 HydrophobicContact CD1-CE1 4.06Å; L346-F361 HydrophobicContact CD1-CE2 3.9Å; L346-F361 HydrophobicContact CD1-CG 3.82Å; L346-F361 HydrophobicContact CD1-CZ 4.05Å; L346-F361 HydrophobicContact CD2-CE2 4.38Å; E357-F361 HydrophobicContact CB-CE2 4.36Å; E357-F361 WeakPolarHBondContact O-CD2 3.35Å; E357-F361 PolarHBondContact O-N 3.12Å; M358-F361 PolarHBondContact O-N 3.4Å; F361-A363 VanDerWaalsContact C-N 3.28Å; F361-A363 PolarHBondContact O-N 3.28Å; F361-Y364 PolarHBondContact O-N 2.71Å; F361-Q365 PolarHBondContact O-N 3.19Å; F361-Y718 HydrophobicContact CB-CD2 4.39Å; F361-Y718 HydrophobicContact CB-CE2 3.65Å; F361-Y718 AromaticContact CD1-CD1 3.81Å; F361-Y718 HydrophobicContact CD1-CD1 3.81Å; F361-Y718 AromaticContact CD1-CD2 3.86Å; F361-Y718 HydrophobicContact CD1-CD2 3.86Å; F361-Y718 AromaticContact CD1-CE1 3.53Å; F361-Y718 HydrophobicContact CD1-CE1 3.53Å; F361-Y718 AromaticContact CD1-CE2 3.63Å; F361-Y718 HydrophobicContact CD1-CE2 3.63Å; F361-Y718 AromaticContact CD1-CG 3.94Å; F361-Y718 HydrophobicContact CD1-CG 3.94Å; F361-Y718 AromaticContact CD1-CZ 3.42Å; F361-Y718 VanDerWaalsContact CD1-CZ 3.42Å; F361-Y718 HydrophobicContact CE1-CD1 4.09Å; F361-Y718 AromaticContact CE1-CE1 3.95Å; F361-Y718 HydrophobicContact CE1-CE1 3.95Å; F361-Y718 HydrophobicContact CE1-CG 4.49Å; F361-Y718 HydrophobicContact CG-CE1 4.41Å; F361-Y718 HydrophobicContact CG-CE2 4.07Å; F361-Y718 AromaticContact CG-CZ 3.92Å; F361-Y718 VanDerWaalsContact O-CE2 3.28Å; F361-Y718 WeakPolarHBondContact O-CE2 3.24Å; F361-T721 HydrophobicContact CD1-CG2 4.43Å; F361-T721 HydrophobicContact CE1-CG2 3.7Å; F361-T721 HydrophobicContact CE2-CG2 4.36Å; F361-T721 HydrophobicContact CZ-CG2 3.64Å; F361-W722 HydrophobicContact CE1-CB 3.99Å; F361-W722 HydrophobicContact CZ-CB 4.24Å; F361-L725 HydrophobicContact CE2-CD1 3.83Å; F361-L725 HydrophobicContact CE2-CD2 3.97Å; F361-L725 HydrophobicContact CE2-CG 4.16Å; F361-L725 HydrophobicContact CZ-CD1 3.8Å; F361-L725 HydrophobicContact CZ-CD2 4.25Å; F361-L725 HydrophobicContact CZ-CG 4.01Å
362	A	96.7	Very high	92.7	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-61.6	-37.6	177.2	0	0	0	0	0	111.8	M358 V359 Q365 L366 F680 I699	M358-A362 WeakPolarHBondContact O-CB 3.44Å; M358-A362 PolarHBondContact O-N 3.42Å; V359-A362 PolarHBondContact O-N 3.18Å; A362-Q365 PolarHBondContact O-N 2.97Å; A362-L366 WeakPolarHBondContact O-CB 3.36Å; A362-L366 PolarHBondContact O-N 3.04Å; A362-F680 HydrophobicContact CB-CB 4.01Å; A362-F680 HydrophobicContact CB-CD1 4.39Å; A362-I699 HydrophobicContact CB-CD1 3.78Å; A362-I699 HydrophobicContact CB-CG1 3.84Å; A362-I699 HydrophobicContact CB-CG2 3.92Å
363	A	95.1	Very high	92.8	Very high	2 Å²	2	17.2 Å²	17.2	2%	0.017	10%	0.095	C	C	.	.	H	α-helix	trans	-64.3	-46.7	174.9	0	0	0	0	0	111.8	V359 V360 F361 Q365 L366 Q367 A702 H703 I706	V359-A363 WeakPolarHBondContact O-CB 3.49Å; V359-A363 PolarHBondContact O-N 3.11Å; V360-A363 PolarHBondContact O-N 3.46Å; F361-A363 VanDerWaalsContact C-N 3.28Å; F361-A363 PolarHBondContact O-N 3.28Å; A363-Q365 VanDerWaalsContact C-N 3.3Å; A363-Q365 PolarHBondContact O-N 3.45Å; A363-L366 PolarHBondContact O-N 2.91Å; A363-Q367 PolarHBondContact O-N 3.33Å; A363-A702 HydrophobicContact CB-CB 3.89Å; A363-H703 HydrophobicContact CB-CB 4.27Å; A363-I706 VanDerWaalsContact C-CD1 3.42Å; A363-I706 HydrophobicContact CB-CD1 3.79Å; A363-I706 WeakPolarHBondContact O-CD1 3.45Å
364	Y	96.8	Very high	92.7	Very high	8 Å²	8	18 Å²	18	3%	0.031	10%	0.102	C	C	.	.	H	α-helix	trans	-60.3	-40.1	175	-75.1	-53.8	0	0	0	112.3	V360 F361 Q367 A368 L656 I706 L709 K717 T721	V360-Y364 HydrophobicContact CG1-CD2 3.92Å; V360-Y364 HydrophobicContact CG1-CE2 3.48Å; V360-Y364 VanDerWaalsContact CG1-CE2 3.48Å; V360-Y364 VanDerWaalsContact O-CD2 3.26Å; V360-Y364 WeakPolarHBondContact O-CD2 3.33Å; V360-Y364 PolarHBondContact O-N 3.19Å; F361-Y364 PolarHBondContact O-N 2.71Å; Y364-Q367 PolarHBondContact O-N 3.44Å; Y364-A368 WeakPolarHBondContact O-CB 3.36Å; Y364-A368 PolarHBondContact O-N 3.29Å; Y364-L656 WeakPolarHBondContact OH-CD1 3.43Å; Y364-I706 HydrophobicContact CD1-CD1 3.61Å; Y364-I706 HydrophobicContact CE1-CD1 4.11Å; Y364-I706 HydrophobicContact CE1-CG2 4.05Å; Y364-I706 HydrophobicContact CG-CD1 4.18Å; Y364-L709 HydrophobicContact CD1-CD1 4.19Å; Y364-L709 HydrophobicContact CE1-CD1 3.84Å; Y364-K717 HydrophobicContact CD1-CB 4.16Å; Y364-K717 HydrophobicContact CE1-CB 3.54Å; Y364-K717 HydrophobicContact CE1-CG 4.41Å; Y364-T721 WeakPolarHBondContact CE2-OG1 3.49Å
365	Q	96.1	Very high	92.4	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-63.1	-47.1	175	173.2	175.1	-19	0	0	111.7	F361 A362 A363 Q367 A368 E369 D679 F680 Y718	F361-Q365 PolarHBondContact O-N 3.19Å; A362-Q365 PolarHBondContact O-N 2.97Å; A363-Q365 VanDerWaalsContact C-N 3.3Å; A363-Q365 PolarHBondContact O-N 3.45Å; Q365-Q367 VanDerWaalsContact C-N 3.31Å; Q365-Q367 PolarHBondContact O-N 2.73Å; Q365-A368 PolarHBondContact O-N 3.05Å; Q365-E369 HydrophobicContact CG-CG 4.46Å; Q365-E369 WeakPolarHBondContact CG-OE1 3.45Å; Q365-E369 PolarHBondContact NE2-OE1 2.9Å; Q365-E369 WeakPolarHBondContact O-CG 3.23Å; Q365-E369 PolarHBondContact O-N 3.24Å; Q365-D679 PolarHBondContact NE2-O 3.26Å; Q365-D679 PolarHBondContact OE1-O 2.8Å; Q365-F680 HydrophobicContact CB-CD1 4.14Å; Q365-F680 HydrophobicContact CB-CE1 4.33Å; Q365-F680 VanDerWaalsContact CD-CD1 3.5Å; Q365-F680 HydrophobicContact CG-CD1 3.77Å; Q365-F680 HydrophobicContact CG-CE1 3.7Å; Q365-Y718 HydrophobicContact CB-CE2 4.47Å
366	L	94.8	Very high	92	Very high	2 Å²	2	18.7 Å²	18.7	1%	0.01	11%	0.111	C	C	.	.	H	α-helix	trans	-57	-46.3	176.7	175	62.2	0	0	0	110.9	A362 A363 A368 E369 L370 L674 F680 I699 H703	A362-L366 WeakPolarHBondContact O-CB 3.36Å; A362-L366 PolarHBondContact O-N 3.04Å; A363-L366 PolarHBondContact O-N 2.91Å; L366-A368 VanDerWaalsContact C-N 3.35Å; L366-A368 PolarHBondContact O-N 3.29Å; L366-E369 PolarHBondContact O-N 3.16Å; L366-L370 HydrophobicContact CD1-CD1 4.13Å; L366-L370 HydrophobicContact CD1-CG 4.15Å; L366-L370 HydrophobicContact CG-CD1 4.08Å; L366-L370 WeakPolarHBondContact O-CG 3.4Å; L366-L370 PolarHBondContact O-N 3.08Å; L366-L674 HydrophobicContact CB-CD2 4.35Å; L366-L674 HydrophobicContact CD1-CD2 4.21Å; L366-L674 HydrophobicContact CD2-CD2 4.12Å; L366-L674 HydrophobicContact CG-CD2 4.46Å; L366-F680 HydrophobicContact CB-CE1 4.26Å; L366-I699 HydrophobicContact CD2-CG2 4.48Å; L366-H703 HydrophobicContact CD2-CB 4.04Å
367	Q	94.7	Very high	91.4	Very high	4 Å²	4	20.1 Å²	20.1	2%	0.019	12%	0.117	C	C	.	.	H	α-helix	trans	-60.3	-44.2	176.6	-179.9	61.4	7.7	0	0	112	A363 Y364 Q365 E369 L370 Q371 H703 I706 R707 L709 A714	A363-Q367 PolarHBondContact O-N 3.33Å; Y364-Q367 PolarHBondContact O-N 3.44Å; Q365-Q367 VanDerWaalsContact C-N 3.31Å; Q365-Q367 PolarHBondContact O-N 2.73Å; Q367-E369 VanDerWaalsContact C-N 3.35Å; Q367-E369 PolarHBondContact O-N 3.41Å; Q367-L370 PolarHBondContact O-N 3.06Å; Q367-Q371 HydrophobicContact CG-CG 4.48Å; Q367-Q371 VanDerWaalsContact NE2-NE2 3.15Å; Q367-Q371 WeakPolarHBondContact O-CB 3.41Å; Q367-Q371 VanDerWaalsContact O-CG 3.31Å; Q367-Q371 WeakPolarHBondContact O-CG 3.42Å; Q367-Q371 PolarHBondContact O-N 2.87Å; Q367-H703 PolarHBondContact OE1-NE2 3.26Å; Q367-I706 HydrophobicContact CB-CD1 4.26Å; Q367-R707 VanDerWaalsContact NE2-C 3.35Å; Q367-R707 PolarHBondContact NE2-O 3.4Å; Q367-L709 HydrophobicContact CG-CB 4.39Å; Q367-L709 PolarHBondContact NE2-O 3.09Å; Q367-A714 HydrophobicContact CB-CB 4.31Å; Q367-A714 HydrophobicContact CG-CB 3.97Å
368	A	94.6	Very high	90.6	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-62.2	-41.3	177.3	0	0	0	0	0	112	Y364 Q365 L366 S372 L711 A714 K715	Y364-A368 WeakPolarHBondContact O-CB 3.36Å; Y364-A368 PolarHBondContact O-N 3.29Å; Q365-A368 PolarHBondContact O-N 3.05Å; L366-A368 VanDerWaalsContact C-N 3.35Å; L366-A368 PolarHBondContact O-N 3.29Å; A368-S372 WeakPolarHBondContact O-CB 3.43Å; A368-S372 PolarHBondContact O-N 3.31Å; A368-L711 HydrophobicContact CB-CD1 4.06Å; A368-L711 WeakPolarHBondContact O-CD1 3.29Å; A368-A714 HydrophobicContact CB-CB 4.39Å; A368-K715 HydrophobicContact CB-CG 4.26Å
369	E	92.7	Very high	89.4	Confident	50 Å²	50	28.9 Å²	28.9	23%	0.234	16%	0.161	C	C	.	.	H	α-helix	trans	-66.2	-43.5	177.8	-71.9	176.6	-169.5	0	0	112.3	R256 Q365 L366 Q367 S372 A373 F680	R256-E369 IonicContact CZ-OE1 3.6Å; R256-E369 IonicContact NH1-OE1 3.75Å; R256-E369 PolarHBondContact NH1-OE1 2.93Å; Q365-E369 HydrophobicContact CG-CG 4.46Å; Q365-E369 WeakPolarHBondContact CG-OE1 3.45Å; Q365-E369 PolarHBondContact NE2-OE1 2.9Å; Q365-E369 WeakPolarHBondContact O-CG 3.23Å; Q365-E369 PolarHBondContact O-N 3.24Å; L366-E369 PolarHBondContact O-N 3.16Å; Q367-E369 VanDerWaalsContact C-N 3.35Å; Q367-E369 PolarHBondContact O-N 3.41Å; E369-S372 WeakPolarHBondContact O-CB 3.29Å; E369-S372 PolarHBondContact O-N 3.03Å; E369-A373 WeakPolarHBondContact O-CB 3.3Å; E369-A373 PolarHBondContact O-N 3.01Å; E369-F680 VanDerWaalsContact OE2-CZ 3.24Å; E369-F680 WeakPolarHBondContact OE2-CZ 3.4Å
370	L	91.6	Very high	87.7	Confident	29 Å²	29	31.9 Å²	31.9	15%	0.152	18%	0.182	C	C	.	.	H	α-helix	trans	-61.7	-44.9	176.9	-71.3	173.9	0	0	0	112.1	L366 Q367 A373 A374 Y673	L366-L370 HydrophobicContact CD1-CD1 4.13Å; L366-L370 HydrophobicContact CD1-CG 4.15Å; L366-L370 HydrophobicContact CG-CD1 4.08Å; L366-L370 WeakPolarHBondContact O-CG 3.4Å; L366-L370 PolarHBondContact O-N 3.08Å; Q367-L370 PolarHBondContact O-N 3.06Å; L370-A373 PolarHBondContact O-N 3.15Å; L370-A374 WeakPolarHBondContact O-CB 3.46Å; L370-A374 PolarHBondContact O-N 3.47Å; L370-Y673 HydrophobicContact CD2-CD1 3.48Å; L370-Y673 VanDerWaalsContact CD2-CD1 3.48Å; L370-Y673 HydrophobicContact CD2-CD2 4.48Å; L370-Y673 HydrophobicContact CD2-CE1 3.48Å; L370-Y673 VanDerWaalsContact CD2-CE1 3.48Å; L370-Y673 HydrophobicContact CD2-CE2 4.49Å; L370-Y673 HydrophobicContact CD2-CG 4.01Å
371	Q	91.8	Very high	86	Confident	61 Å²	61	37.6 Å²	37.6	29%	0.285	21%	0.211	S	C	.	.	H	α-helix	trans	-65.4	-39.6	176.7	-69.5	-65.9	-27.6	0	0	111.7	Q367 A373 A374 V375 L711	Q367-Q371 HydrophobicContact CG-CG 4.48Å; Q367-Q371 VanDerWaalsContact NE2-NE2 3.15Å; Q367-Q371 WeakPolarHBondContact O-CB 3.41Å; Q367-Q371 VanDerWaalsContact O-CG 3.31Å; Q367-Q371 WeakPolarHBondContact O-CG 3.42Å; Q367-Q371 PolarHBondContact O-N 2.87Å; Q371-A373 PolarHBondContact O-N 3.4Å; Q371-A374 PolarHBondContact O-N 3.46Å; Q371-V375 WeakPolarHBondContact O-CG2 3.48Å; Q371-V375 PolarHBondContact O-N 3Å; Q371-V375 VanDerWaalsContact O-N 3.09Å; Q371-L711 HydrophobicContact CB-CB 3.83Å; Q371-L711 HydrophobicContact CB-CD1 4.14Å
372	S	90.4	Very high	83.9	Confident	9 Å²	9	42.2 Å²	42.2	6%	0.063	24%	0.239	C	C	.	.	H	α-helix	trans	-60.3	-46.7	175.1	-142	0	0	0	0	111	D252 A368 E369 A374 V375 S376	D252-S372 PolarHBondContact OD1-OG 3.35Å; A368-S372 WeakPolarHBondContact O-CB 3.43Å; A368-S372 PolarHBondContact O-N 3.31Å; E369-S372 WeakPolarHBondContact O-CB 3.29Å; E369-S372 PolarHBondContact O-N 3.03Å; S372-A374 PolarHBondContact O-N 3.46Å; S372-V375 PolarHBondContact O-N 3.29Å; S372-S376 PolarHBondContact O-N 2.75Å; S372-S376 PolarHBondContact O-OG 2.68Å; S372-S376 VanDerWaalsContact O-OG 3.09Å
373	A	87.6	Confident	81.2	Confident	37 Å²	37	48.2 Å²	48.2	31%	0.306	27%	0.271	S	S	.	.	H	α-helix	trans	-63.5	-40.5	179.1	0	0	0	0	0	112.5	E369 L370 Q371 S376 Q377 Y406	E369-A373 WeakPolarHBondContact O-CB 3.3Å; E369-A373 PolarHBondContact O-N 3.01Å; L370-A373 PolarHBondContact O-N 3.15Å; Q371-A373 PolarHBondContact O-N 3.4Å; A373-S376 PolarHBondContact O-N 2.99Å; A373-Q377 WeakPolarHBondContact O-CG 3.18Å; A373-Q377 PolarHBondContact O-N 2.68Å; A373-Y406 HydrophobicContact CB-CE1 4.31Å
374	A	87	Confident	78.3	Confident	24 Å²	24	56.4 Å²	56.4	20%	0.198	31%	0.307	C	S	.	.	H	α-helix	trans	-61.6	-43.6	176.5	0	0	0	0	0	112.1	L370 Q371 S372 Q377 Q378	L370-A374 WeakPolarHBondContact O-CB 3.46Å; L370-A374 PolarHBondContact O-N 3.47Å; Q371-A374 PolarHBondContact O-N 3.46Å; S372-A374 PolarHBondContact O-N 3.46Å; A374-Q377 PolarHBondContact O-N 2.67Å; A374-Q378 WeakPolarHBondContact O-CG 3.29Å; A374-Q378 PolarHBondContact O-N 3.29Å; A374-Q378 VanDerWaalsContact O-N 3.07Å
375	V	83.3	Confident	75.5	Confident	65 Å²	65	60.6 Å²	60.6	39%	0.394	34%	0.335	S	S	.	.	H	α-helix	trans	-63.9	-43.7	175.8	174	0	0	0	0	111.1	Q371 S372 Q377 Q378 L379	Q371-V375 WeakPolarHBondContact O-CG2 3.48Å; Q371-V375 PolarHBondContact O-N 3Å; Q371-V375 VanDerWaalsContact O-N 3.09Å; S372-V375 PolarHBondContact O-N 3.29Å; V375-Q377 VanDerWaalsContact C-N 3.29Å; V375-Q377 PolarHBondContact O-N 3.42Å; V375-Q378 PolarHBondContact O-N 3.33Å; V375-L379 HydrophobicContact CG1-CD1 4.26Å; V375-L379 PolarHBondContact O-N 2.77Å; V375-L379 VanDerWaalsContact O-N 3.15Å
376	S	80	Confident	72.6	Confident	53 Å²	53	67.7 Å²	67.7	37%	0.371	37%	0.373	S	S	.	.	H	α-helix	trans	-62.1	-34.3	177.2	-57.4	0	0	0	0	113	S372 A373 C380	S372-S376 PolarHBondContact O-N 2.75Å; S372-S376 PolarHBondContact O-OG 2.68Å; S372-S376 VanDerWaalsContact O-OG 3.09Å; A373-S376 PolarHBondContact O-N 2.99Å; S376-C380 PolarHBondContact O-N 2.97Å
377	Q	77	Confident	69.8	Low	55 Å²	55	75.9 Å²	75.9	26%	0.257	41%	0.413	S	S	.	.	H	α-helix	trans	-71.9	-38.7	175.1	-73.9	-177.4	0.7	0	0	112.7	A373 A374 V375 L379 C380 I381	A373-Q377 WeakPolarHBondContact O-CG 3.18Å; A373-Q377 PolarHBondContact O-N 2.68Å; A374-Q377 PolarHBondContact O-N 2.67Å; V375-Q377 VanDerWaalsContact C-N 3.29Å; V375-Q377 PolarHBondContact O-N 3.42Å; Q377-L379 VanDerWaalsContact C-N 3.29Å; Q377-L379 PolarHBondContact O-N 3.05Å; Q377-C380 PolarHBondContact O-N 3.4Å; Q377-C380 VanDerWaalsContact O-N 3.13Å; Q377-C380 PolarHBondContact O-SG 3.39Å; Q377-I381 WeakPolarHBondContact O-CG1 3.39Å; Q377-I381 PolarHBondContact O-N 3.26Å; Q377-I381 VanDerWaalsContact O-N 3.11Å
378	Q	73.9	Confident	67.2	Low	89 Å²	89	83.4 Å²	83.4	42%	0.416	45%	0.454	S	S	.	.	H	α-helix	trans	-62.2	-40.9	177.3	-72.9	155	-3.6	0	0	111.2	A374 V375 C380 I381 T382	A374-Q378 WeakPolarHBondContact O-CG 3.29Å; A374-Q378 PolarHBondContact O-N 3.29Å; A374-Q378 VanDerWaalsContact O-N 3.07Å; V375-Q378 PolarHBondContact O-N 3.33Å; Q378-C380 VanDerWaalsContact C-N 3.29Å; Q378-C380 PolarHBondContact O-N 3.3Å; Q378-I381 PolarHBondContact O-N 3.44Å; Q378-T382 PolarHBondContact O-N 2.97Å; Q378-T382 PolarHBondContact O-OG1 3.06Å
379	L	69	Low	64.2	Low	107 Å²	107	90.4 Å²	90.4	56%	0.56	49%	0.491	S	S	*	.	H	α-helix	trans	-64.1	-29.4	174.9	-70.3	166.9	0	0	0	113.3	V375 Q377 T382 N383	V375-L379 HydrophobicContact CG1-CD1 4.26Å; V375-L379 PolarHBondContact O-N 2.77Å; V375-L379 VanDerWaalsContact O-N 3.15Å; Q377-L379 VanDerWaalsContact C-N 3.29Å; Q377-L379 PolarHBondContact O-N 3.05Å; L379-T382 PolarHBondContact O-OG1 3.49Å; L379-T382 VanDerWaalsContact O-OG1 3.1Å; L379-N383 PolarHBondContact O-ND2 3Å
380	C	58.7	Low	61.6	Low	71 Å²	71	94.5 Å²	94.5	48%	0.48	52%	0.519	S	S	.	.	H	α-helix	trans	-79.5	-30.5	177.7	81.7	0	0	0	0	112.8	S376 Q377 Q378	S376-C380 PolarHBondContact O-N 2.97Å; Q377-C380 PolarHBondContact O-N 3.4Å; Q377-C380 VanDerWaalsContact O-N 3.13Å; Q377-C380 PolarHBondContact O-SG 3.39Å; Q378-C380 VanDerWaalsContact C-N 3.29Å; Q378-C380 PolarHBondContact O-N 3.3Å
381	I	57.3	Low	58.7	Low	123 Å²	123	99.9 Å²	99.9	63%	0.631	55%	0.548	S	S	*	.	H	α-helix	trans	-70	-40.5	175.3	-63.4	166.5	0	0	0	110.6	Q377 Q378 N383 F384	Q377-I381 WeakPolarHBondContact O-CG1 3.39Å; Q377-I381 PolarHBondContact O-N 3.26Å; Q377-I381 VanDerWaalsContact O-N 3.11Å; Q378-I381 PolarHBondContact O-N 3.44Å; I381-N383 PolarHBondContact O-N 3.47Å; I381-F384 PolarHBondContact O-N 2.85Å
382	T	52.7	Low	56.4	Low	97 Å²	97	102.3 Å²	102.3	60%	0.595	57%	0.569	S	S	*	*	H	α-helix	trans	-69.2	-18.1	-179.7	52.6	0	0	0	0	114.1	Q378 L379	Q378-T382 PolarHBondContact O-N 2.97Å; Q378-T382 PolarHBondContact O-OG1 3.06Å; L379-T382 PolarHBondContact O-OG1 3.49Å; L379-T382 VanDerWaalsContact O-OG1 3.1Å
383	N	39.7	Very low	53.4	Low	126 Å²	126	112 Å²	112	67%	0.674	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.7	5.6	-178.1	-73	-11.4	0	0	0	114.4	L379 I381 P385	L379-N383 PolarHBondContact O-ND2 3Å; I381-N383 PolarHBondContact O-N 3.47Å; N383-P385 VanDerWaalsContact C-CD 3.48Å; N383-P385 WeakPolarHBondContact O-CD 3.25Å
384	F	34.9	Very low	50.8	Low	175 Å²	175	116.1 Å²	116.1	77%	0.768	63%	0.633	S	S	*	*	S	Bend	trans	-100.6	88.6	161.4	-74.5	-81.5	0	0	0	108.8	I381 D386	I381-F384 PolarHBondContact O-N 2.85Å; F384-D386 PolarHBondContact O-N 3.42Å; F384-D386 VanDerWaalsContact O-N 3.17Å
385	P	38.1	Very low	48.1	Very low	96 Å²	96	121.6 Å²	121.6	62%	0.623	66%	0.664	S	S	*	*			trans	-68.2	117.4	170	27.4	-29.9	0	0	0	107.9	N383 M387	N383-P385 VanDerWaalsContact C-CD 3.48Å; N383-P385 WeakPolarHBondContact O-CD 3.25Å; P385-M387 PolarHBondContact O-N 2.85Å; P385-M387 VanDerWaalsContact O-N 3.12Å
386	D	34.6	Very low	45.6	Very low	149 Å²	149	127.7 Å²	127.7	80%	0.797	69%	0.693	S	S	*	*			trans	-49.4	120.6	157.4	-80.8	-36.3	0	0	0	107.3	F384 N388	F384-D386 PolarHBondContact O-N 3.42Å; F384-D386 VanDerWaalsContact O-N 3.17Å; D386-N388 PolarHBondContact O-N 3.24Å
387	M	36.8	Very low	43	Very low	174 Å²	174	128 Å²	128	86%	0.857	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.7	18.3	-172.3	-99.1	-73.7	138.1	0	0	115.2	P385	P385-M387 PolarHBondContact O-N 2.85Å; P385-M387 VanDerWaalsContact O-N 3.12Å
388	N	38.8	Very low	40.5	Very low	162 Å²	162	130.5 Å²	130.5	87%	0.866	74%	0.735	S	S	*	*	T	Hydrogen-bonded Turn	trans	-136.6	19	-172.4	-98.5	-6.4	0	0	0	116.1	D386	D386-N388 PolarHBondContact O-N 3.24Å
389	N	32.7	Very low	38.4	Very low	147 Å²	147	131 Å²	131	79%	0.786	75%	0.747	S	S	*	*			trans	-131.5	105.4	171	-143.3	-1.2	0	0	0	113.9	N391	N389-N391 PolarHBondContact O-N 2.88Å; N389-N391 VanDerWaalsContact O-N 3.11Å
390	T	37.1	Very low	36.3	Very low	135 Å²	135	131.8 Å²	131.8	83%	0.828	76%	0.757	S	S	*	*			trans	-77.1	82.8	174	45.3	0	0	0	0	110.5
391	N	32.3	Very low	34.8	Very low	142 Å²	142	135.5 Å²	135.5	76%	0.759	78%	0.777	S	S	*	*			trans	-165	108.5	154.9	-113.8	-18.6	0	0	0	112	N389 Y393	N389-N391 PolarHBondContact O-N 2.88Å; N389-N391 VanDerWaalsContact O-N 3.11Å; N391-Y393 PolarHBondContact O-N 3.32Å
392	P	42.7	Very low	33.3	Very low	112 Å²	112	135.5 Å²	135.5	73%	0.727	78%	0.783	S	S	*	*			trans	-93.6	32.3	-171	35.9	-34.8	0	0	0	115.7
393	Y	27.9	Very low	32	Very low	213 Å²	213	137 Å²	137	84%	0.835	80%	0.797	S	S	*	*			trans	-133.8	83.5	174.8	-65.3	-76.5	0	0	0	112	N391	N391-Y393 PolarHBondContact O-N 3.32Å
394	S	33.4	Very low	31.4	Very low	124 Å²	124	134 Å²	134	87%	0.867	79%	0.786	S	S	*	*			trans	-97.8	108.6	162.3	-69.3	0	0	0	0	109.4
395	T	29.8	Very low	30.9	Very low	138 Å²	138	133.4 Å²	133.4	85%	0.847	79%	0.791	S	S	*	*			trans	-63	136.4	171.7	28	0	0	0	0	111.2	G397	T395-G397 PolarHBondContact O-N 2.93Å
396	L	31.1	Very low	30.5	Very low	193 Å²	193	133 Å²	133	100%	1.01	78%	0.777	S	S	*	*			trans	-53.2	98.4	178.2	-73.2	150.5	0	0	0	111.7
397	G	24.7	Very low	30.1	Very low	59 Å²	59	132.6 Å²	132.6	61%	0.608	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-96.9	142.1	169.1	0	0	0	0	0	111.2	T395 C399	T395-G397 PolarHBondContact O-N 2.93Å; G397-C399 PolarHBondContact O-N 2.93Å
398	A	25.1	Very low	29.6	Very low	109 Å²	109	131.7 Å²	131.7	90%	0.901	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-57.9	126.9	-176.7	0	0	0	0	0	112.9
399	C	29.3	Very low	28.9	Very low	100 Å²	100	135.4 Å²	135.4	68%	0.676	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-94.7	125.5	-178.3	-70	0	0	0	0	112.4	G397	G397-C399 PolarHBondContact O-N 2.93Å
400	T	25.4	Very low	28.5	Very low	123 Å²	123	133.5 Å²	133.5	76%	0.755	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-69.7	146.8	165.6	39.4	0	0	0	0	112.1	V402	T400-V402 PolarHBondContact O-N 3.27Å
401	T	26.1	Very low	28.1	Very low	148 Å²	148	132.3 Å²	132.3	91%	0.908	77%	0.773	S	S	*	*			trans	-57	113.8	-179.2	48.4	0	0	0	0	112.8
402	V	26.5	Very low	27.8	Very low	124 Å²	124	132.3 Å²	132.3	75%	0.752	78%	0.778	S	S	*	*			trans	-108.2	122.6	167.3	-177.6	0	0	0	0	108.7	T400 S404	T400-V402 PolarHBondContact O-N 3.27Å; V402-S404 PolarHBondContact O-N 2.63Å
403	S	24.7	Very low	26.9	Very low	127 Å²	127	134.9 Å²	134.9	89%	0.888	78%	0.78	S	S	*	*			trans	-61.5	121.7	168	-60	0	0	0	0	109.5
404	S	27.8	Very low	27	Very low	63 Å²	63	127.9 Å²	127.9	44%	0.441	77%	0.766	S	S	.	*			trans	-130.6	134.3	-176.9	-157.2	0	0	0	0	111.6	V402 Y406	V402-S404 PolarHBondContact O-N 2.63Å; S404-Y406 WeakPolarHBondContact O-CD2 3.41Å; S404-Y406 WeakPolarHBondContact O-CE2 3.37Å
405	N	23.4	Very low	26.7	Very low	164 Å²	164	127 Å²	127	88%	0.877	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-78.2	122.2	174.6	-77.3	-35.7	0	0	0	109.6
406	Y	30.7	Very low	27.1	Very low	87 Å²	87	122.6 Å²	122.6	34%	0.341	73%	0.731	S	S	.	*	P	Polyproline II helix	trans	-92.2	127.4	-173.9	-72	-97.5	0	0	0	112.4	A373 S404 Y673	A373-Y406 HydrophobicContact CB-CE1 4.31Å; S404-Y406 WeakPolarHBondContact O-CD2 3.41Å; S404-Y406 WeakPolarHBondContact O-CE2 3.37Å; Y406-Y673 HydrophobicContact CD2-CE1 4.37Å; Y406-Y673 VanDerWaalsContact CD2-OH 3.26Å; Y406-Y673 WeakPolarHBondContact CD2-OH 3.47Å; Y406-Y673 WeakPolarHBondContact CE2-OH 3.45Å
407	V	26.7	Very low	27.3	Very low	140 Å²	140	114.7 Å²	114.7	85%	0.848	69%	0.691	S	S	*	*	P	Polyproline II helix	trans	-88.2	121.6	167.1	176.9	0	0	0	0	109.2	R409	V407-R409 PolarHBondContact O-N 3.1Å
408	N	24.8	Very low	28.3	Very low	155 Å²	155	113.5 Å²	113.5	83%	0.829	67%	0.673	S	S	*	*	P	Polyproline II helix	trans	-55	124.2	176.8	-76.5	-38.2	0	0	0	112.1
409	R	24.4	Very low	28.9	Very low	241 Å²	241	114.5 Å²	114.5	91%	0.909	66%	0.663	S	S	*	*			trans	-119.9	118.7	159.6	-156.3	-176.9	-83.5	-145	1.4	108.5	V407	V407-R409 PolarHBondContact O-N 3.1Å
410	S	24.5	Very low	29.2	Very low	106 Å²	106	114.9 Å²	114.9	74%	0.741	66%	0.658	S	S	*	*	P	Polyproline II helix	trans	-65	144.1	177.5	-62.3	0	0	0	0	111.4
411	P	29	Very low	29.4	Very low	111 Å²	111	113 Å²	113	72%	0.721	65%	0.654	S	S	*	*	P	Polyproline II helix	trans	-68.9	133.5	-176	25.3	-31.7	0	0	0	111.8	H413	P411-H413 PolarHBondContact O-N 3.23Å
412	V	26.1	Very low	29.5	Very low	141 Å²	141	114.5 Å²	114.5	86%	0.855	65%	0.649	S	S	*	*	P	Polyproline II helix	trans	-68.9	117.4	173.4	178.8	0	0	0	0	108.6	A414	V412-A414 PolarHBondContact O-N 3.4Å
413	H	24.4	Very low	29.5	Very low	167 Å²	167	117.5 Å²	117.5	77%	0.773	65%	0.652	S	S	*	*			trans	-67.2	89.2	175.9	-75.4	-66.6	0	0	0	111.4	P411 T415	P411-H413 PolarHBondContact O-N 3.23Å; H413-T415 VanDerWaalsContact C-N 3.27Å; H413-T415 HydrophobicContact CB-CG2 4.36Å; H413-T415 PolarHBondContact O-N 3.49Å; H413-T415 VanDerWaalsContact O-N 3.1Å
414	A	28.7	Very low	29.5	Very low	65 Å²	65	119.3 Å²	119.3	54%	0.537	65%	0.646	S	S	.	*			trans	-80.1	77.2	163.4	0	0	0	0	0	109.6	R257 V412 S416	R257-A414 PolarHBondContact NH1-O 2.79Å; V412-A414 PolarHBondContact O-N 3.4Å; A414-S416 PolarHBondContact O-N 3.13Å
415	T	26.9	Very low	29.3	Very low	107 Å²	107	125.2 Å²	125.2	66%	0.656	66%	0.659	S	S	*	*			trans	-78	101.4	172.4	56.8	0	0	0	0	109.3	H413	H413-T415 VanDerWaalsContact C-N 3.27Å; H413-T415 HydrophobicContact CB-CG2 4.36Å; H413-T415 PolarHBondContact O-N 3.49Å; H413-T415 VanDerWaalsContact O-N 3.1Å
416	S	38	Very low	29.3	Very low	45 Å²	45	122.4 Å²	122.4	32%	0.315	65%	0.65	S	S	.	*			trans	-145.6	124.2	156.2	48.4	0	0	0	0	107	W267 A414	W267-S416 VanDerWaalsContact CE2-O 3.29Å; W267-S416 WeakPolarHBondContact CZ2-O 3.32Å; W267-S416 PolarHBondContact NE1-O 2.86Å; A414-S416 PolarHBondContact O-N 3.13Å
417	S	36.9	Very low	28.9	Very low	26 Å²	26	127.2 Å²	127.2	18%	0.182	68%	0.675	C	S	.	*			trans	-82.5	150.5	162	-177.8	0	0	0	0	107.3	D265 D419	D265-S417 PolarHBondContact O-OG 2.87Å; S417-D419 PolarHBondContact O-N 3.37Å; S417-D419 PolarHBondContact OG-N 3.4Å
418	P	45.8	Very low	28.8	Very low	35 Å²	35	130.7 Å²	130.7	23%	0.227	68%	0.675	C	S	.	*	S	Bend	trans	-59.9	-22.2	170	22.7	-32.3	0	0	0	112.9	W267 T313 L420	W267-P418 HydrophobicContact CD2-CG 4.47Å; T313-P418 HydrophobicContact CG2-CB 4.14Å; P418-L420 PolarHBondContact O-N 3.48Å
419	D	36.8	Very low	28.6	Very low	130 Å²	130	131 Å²	131	70%	0.695	68%	0.677	S	S	*	*	S	Bend	trans	-91.5	79.5	167.7	-85.4	-27.1	0	0	0	110.2	S417	S417-D419 PolarHBondContact O-N 3.37Å; S417-D419 PolarHBondContact OG-N 3.4Å
420	L	34.6	Very low	28.8	Very low	107 Å²	107	125.4 Å²	125.4	56%	0.56	67%	0.674	S	S	*	*			trans	-152.8	104	163.3	-137.2	77.1	0	0	0	113.2	P418	P418-L420 PolarHBondContact O-N 3.48Å
421	A	30.1	Very low	28.6	Very low	83 Å²	83	124.4 Å²	124.4	69%	0.686	68%	0.68	S	S	*	*			trans	-60.4	132.9	155	0	0	0	0	0	109
422	K	27.6	Very low	28.4	Very low	181 Å²	181	122.1 Å²	122.1	79%	0.787	68%	0.678	S	S	*	*			trans	82.8	96.5	173	-49.7	172.6	-179	-179.2	0	115.8
423	K	26.7	Very low	28.2	Very low	187 Å²	187	121.7 Å²	121.7	81%	0.813	68%	0.68	S	S	*	*			trans	-176.6	149.9	131.9	-100.3	166.7	-173.5	-174.5	0	112
424	H	24.5	Very low	28.3	Very low	165 Å²	165	120.2 Å²	120.2	76%	0.764	68%	0.683	S	S	*	*	P	Polyproline II helix	trans	-79	139.4	-168.7	-65.5	77.3	0	0	0	113.1
425	Y	25	Very low	28.1	Very low	186 Å²	186	122.1 Å²	122.1	73%	0.729	69%	0.693	S	S	*	*	P	Polyproline II helix	trans	-91.3	137.9	166.8	-74.5	-84.9	0	0	0	110.4
426	P	23.7	Very low	27.8	Very low	105 Å²	105	126.4 Å²	126.4	68%	0.682	71%	0.705	S	S	*	*	P	Polyproline II helix	trans	-82.8	126.2	175.1	31.2	-28.9	0	0	0	111	Y428	P426-Y428 PolarHBondContact O-N 3.44Å
427	H	21.3	Very low	27.2	Very low	189 Å²	189	132.2 Å²	132.2	88%	0.875	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-65.5	121.4	169.1	-104.9	-62.8	0	0	0	110.2
428	Y	24.5	Very low	26.6	Very low	212 Å²	212	136.4 Å²	136.4	83%	0.831	76%	0.759	S	S	*	*			trans	-96.7	113.1	161.4	-88.8	-88	0	0	0	108.8	P426	P426-Y428 PolarHBondContact O-N 3.44Å
429	N	20.3	Very low	25.5	Very low	163 Å²	163	145.3 Å²	145.3	87%	0.872	79%	0.788	S	S	*	*			trans	-82.7	118.1	163.6	-106.2	0.4	0	0	0	107.4
430	S	28.4	Very low	24.8	Very low	122 Å²	122	147 Å²	147	85%	0.853	80%	0.796	S	S	*	*			trans	-127.8	95.7	163.2	-158.3	0	0	0	0	108.5
431	G	20.2	Very low	24.3	Very low	85 Å²	85	149 Å²	149	88%	0.876	81%	0.807	S	S	*	*			trans	-77.6	113.9	166.8	0	0	0	0	0	108.7
432	G	25.2	Very low	24	Very low	64 Å²	64	150.3 Å²	150.3	66%	0.66	81%	0.811	S	S	*	*			trans	-138.6	98.7	173	0	0	0	0	0	109.2	V434	G432-V434 PolarHBondContact O-N 2.89Å
433	S	23.6	Very low	24.2	Very low	131 Å²	131	147.5 Å²	147.5	92%	0.916	81%	0.812	S	S	*	*			trans	-62.4	121.7	169.4	-74.1	0	0	0	0	109.4
434	V	25.8	Very low	24	Very low	136 Å²	136	146.9 Å²	146.9	82%	0.824	82%	0.815	S	S	*	*			trans	-126.4	119.9	164.7	-175.1	0	0	0	0	109.8	G432	G432-V434 PolarHBondContact O-N 2.89Å
435	S	24.1	Very low	23.9	Very low	106 Å²	106	142.6 Å²	142.6	74%	0.741	82%	0.816	S	S	*	*			trans	-58.8	146.1	-178.8	27.9	0	0	0	0	114.6
436	Q	21.4	Very low	23.8	Very low	196 Å²	196	139.1 Å²	139.1	92%	0.916	82%	0.819	S	S	*	*			trans	-60.3	131.8	-179.9	-61.4	173.8	-10.2	0	0	112.3
437	L	24.7	Very low	23.7	Very low	167 Å²	167	138.1 Å²	138.1	87%	0.874	82%	0.82	S	S	*	*			trans	-116.9	145.1	162.3	-89.6	161	0	0	0	109.8
438	P	24	Very low	23.9	Very low	115 Å²	115	137.4 Å²	137.4	75%	0.747	82%	0.821	S	S	*	*			trans	-86.7	155.1	-155.9	33.9	-34.8	0	0	0	114.3
439	R	22.1	Very low	23.9	Very low	222 Å²	222	133.3 Å²	133.3	84%	0.838	82%	0.818	S	S	*	*			trans	-78.9	113.9	-174.2	-164.1	-178.5	-156.6	164.1	2.2	110.3
440	N	23.9	Very low	24.1	Very low	164 Å²	164	132.6 Å²	132.6	88%	0.877	81%	0.814	S	S	*	*			trans	-81.6	119.9	166.5	-83.5	-11.5	0	0	0	110.1
441	L	22.7	Very low	23.6	Very low	150 Å²	150	135.3 Å²	135.3	79%	0.785	81%	0.813	S	S	*	*			trans	-98.9	126.6	174.4	-77	156.9	0	0	0	108.8
442	S	25.2	Very low	23.9	Very low	111 Å²	111	138.2 Å²	138.2	78%	0.776	81%	0.807	S	S	*	*			trans	179	155.9	159	41	0	0	0	0	110.4
443	P	31.9	Very low	24	Very low	122 Å²	122	140.4 Å²	140.4	79%	0.792	81%	0.81	S	S	*	*				-126.3	168.5	-82.9	21.7	1.4	0	0	0	113.5	G445	P443-G445 PolarHBondContact O-N 3.41Å
444	I	21.3	Very low	23.9	Very low	173 Å²	173	139.3 Å²	139.3	89%	0.887	80%	0.802	S	S	*	*			trans	-41.5	118	166.9	-68.6	155.4	0	0	0	111.8
445	G	22.2	Very low	23.9	Very low	76 Å²	76	139.6 Å²	139.6	78%	0.784	80%	0.799	S	S	*	*			trans	-112	115.4	165.8	0	0	0	0	0	109	P443	P443-G445 PolarHBondContact O-N 3.41Å
446	S	22.9	Very low	24	Very low	112 Å²	112	141 Å²	141	78%	0.783	80%	0.803	S	S	*	*			trans	-60.2	146	-174.7	-171.3	0	0	0	0	113.5
447	A	23.2	Very low	24.4	Very low	85 Å²	85	139.4 Å²	139.4	70%	0.702	80%	0.795	S	S	*	*			trans	-52.8	130.4	168.4	0	0	0	0	0	111.8
448	L	25.5	Very low	24.5	Very low	173 Å²	173	138.9 Å²	138.9	91%	0.906	79%	0.793	S	S	*	*			trans	-111	119.5	153.2	-82.6	171	0	0	0	107.2	D450	L448-D450 PolarHBondContact O-N 2.91Å
449	V	22.9	Very low	24.9	Very low	127 Å²	127	137.6 Å²	137.6	77%	0.77	78%	0.783	S	S	*	*			trans	-72.2	114	173.6	-177.2	0	0	0	0	106
450	D	24.4	Very low	25.4	Very low	148 Å²	148	128.8 Å²	128.8	79%	0.791	76%	0.761	S	S	*	*			trans	-107.6	111.6	168.4	-140.4	-0.5	0	0	0	107.5	L448 I452	L448-D450 PolarHBondContact O-N 2.91Å; D450-I452 PolarHBondContact O-N 3.45Å
451	E	18.5	Very low	26.3	Very low	179 Å²	179	123.4 Å²	123.4	84%	0.836	74%	0.744	S	S	*	*			trans	-70.9	116.9	175.8	-68.5	179.6	142.7	0	0	108.8
452	I	26.7	Very low	27.6	Very low	146 Å²	146	120.9 Å²	120.9	75%	0.749	74%	0.735	S	S	*	*			trans	-129.9	135.8	167.5	-63.5	-177.1	0	0	0	108.5	D450	D450-I452 PolarHBondContact O-N 3.45Å
453	P	27	Very low	29.4	Very low	109 Å²	109	120.6 Å²	120.6	71%	0.708	73%	0.725	S	S	*	*			trans	-91.2	158.4	-143.4	25.6	-16.7	0	0	0	114.2	N455	P453-N455 PolarHBondContact O-N 2.97Å
454	S	22.7	Very low	31.1	Very low	108 Å²	108	118 Å²	118	76%	0.755	70%	0.702	S	S	*	*			trans	-52.2	97.8	169.6	53.2	0	0	0	0	112.6
455	N	25.6	Very low	33.3	Very low	143 Å²	143	111.2 Å²	111.2	77%	0.765	67%	0.669	S	S	*	*			trans	-108.2	99.2	154.5	-92.2	-15	0	0	0	108.6	P453 H457	P453-N455 PolarHBondContact O-N 2.97Å; N455-H457 VanDerWaalsContact C-N 3.27Å; N455-H457 PolarHBondContact O-N 2.82Å
456	V	25.4	Very low	35.7	Very low	135 Å²	135	111.2 Å²	111.2	82%	0.818	65%	0.651	S	S	*	*			trans	-68.6	86.6	168.4	-179.8	0	0	0	0	107.1
457	H	29.5	Very low	38.3	Very low	162 Å²	162	111.5 Å²	111.5	75%	0.75	64%	0.64	S	S	*	*			trans	-88.3	112.3	159.1	-91.9	-65.8	0	0	0	108.8	N455 V459	N455-H457 VanDerWaalsContact C-N 3.27Å; N455-H457 PolarHBondContact O-N 2.82Å; H457-V459 WeakPolarHBondContact O-CG2 3.22Å; H457-V459 PolarHBondContact O-N 2.88Å; H457-V459 VanDerWaalsContact O-N 3.12Å
458	N	26.8	Very low	40.7	Very low	156 Å²	156	108.5 Å²	108.5	83%	0.834	61%	0.612	S	S	*	*			trans	-63.3	96.9	175.1	-154.4	6.4	0	0	0	108.1	G460	N458-G460 PolarHBondContact O-N 2.76Å
459	V	32.6	Very low	42.9	Very low	89 Å²	89	101 Å²	101	54%	0.539	57%	0.573	S	S	.	*			trans	-84.8	96.5	-175.5	-176	0	0	0	0	110	H457 G461 E464	H457-V459 WeakPolarHBondContact O-CG2 3.22Å; H457-V459 PolarHBondContact O-N 2.88Å; H457-V459 VanDerWaalsContact O-N 3.12Å; V459-G461 PolarHBondContact O-N 2.73Å; V459-E464 WeakPolarHBondContact CG1-OE1 3.38Å
460	G	33.5	Very low	45.3	Very low	37 Å²	37	98.1 Å²	98.1	38%	0.381	56%	0.558	S	S	.	*			trans	-65.7	114.8	154.1	0	0	0	0	0	108.4	N458 V462 D463	N458-G460 PolarHBondContact O-N 2.76Å; G460-V462 PolarHBondContact O-N 3.11Å; G460-D463 PolarHBondContact O-N 2.88Å
461	G	42.4	Very low	47.7	Very low	50 Å²	50	95.5 Å²	95.5	52%	0.515	54%	0.541	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	6.2	-168.1	0	0	0	0	0	117.3	V459	V459-G461 PolarHBondContact O-N 2.73Å
462	V	49.6	Very low	49.6	Very low	98 Å²	98	87.5 Å²	87.5	59%	0.594	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98	-32.2	178.2	-176.1	0	0	0	0	111	G460 E464 V465 D466	G460-V462 PolarHBondContact O-N 3.11Å; V462-E464 PolarHBondContact O-N 2.95Å; V462-V465 PolarHBondContact O-N 2.68Å; V462-D466 PolarHBondContact O-N 3.32Å
463	D	63.1	Low	51.4	Low	105 Å²	105	83.4 Å²	83.4	56%	0.561	48%	0.481	S	S	*	.	H	α-helix	trans	-65.4	-35.6	-170.9	-58.8	-28.5	0	0	0	113.5	G460 V465 D466 E467	G460-D463 PolarHBondContact O-N 2.88Å; D463-V465 PolarHBondContact O-N 2.98Å; D463-D466 PolarHBondContact O-N 2.95Å; D463-E467 VanDerWaalsContact O-CB 3.31Å; D463-E467 WeakPolarHBondContact O-CB 3.21Å; D463-E467 PolarHBondContact O-N 2.77Å
464	E	66.7	Low	52.8	Low	66 Å²	66	85.9 Å²	85.9	31%	0.308	48%	0.484	S	S	.	.	H	α-helix	trans	-67.4	-33.6	179.2	-72.8	177.5	-136	0	0	112.5	V459 V462 L468 R848	V459-E464 WeakPolarHBondContact CG1-OE1 3.38Å; V462-E464 PolarHBondContact O-N 2.95Å; E464-L468 WeakPolarHBondContact O-CB 2.82Å; E464-L468 WeakPolarHBondContact O-CD1 3.29Å; E464-L468 WeakPolarHBondContact O-CG 3.48Å; E464-L468 PolarHBondContact O-N 2.94Å; E464-R848 IonicContact OE1-NH2 2.63Å; E464-R848 PolarHBondContact OE1-NH2 3.25Å; E464-R848 IonicContact OE2-CZ 2.67Å; E464-R848 IonicContact OE2-NH1 3.49Å; E464-R848 PolarHBondContact OE2-NH1 3.16Å; E464-R848 IonicContact OE2-NH2 3.2Å; E464-R848 PolarHBondContact OE2-NH2 2.84Å
465	V	68.2	Low	54.3	Low	31 Å²	31	85 Å²	85	19%	0.188	48%	0.477	C	S	.	.	H	α-helix	trans	-72.4	-39.6	177.8	177.9	0	0	0	0	109.9	V462 D463 L468 L469 W790 R848	V462-V465 PolarHBondContact O-N 2.68Å; D463-V465 PolarHBondContact O-N 2.98Å; V465-L468 PolarHBondContact O-N 2.83Å; V465-L469 HydrophobicContact CG1-CD1 4.39Å; V465-L469 WeakPolarHBondContact O-CG 3.31Å; V465-L469 PolarHBondContact O-N 3.26Å; V465-W790 HydrophobicContact CG1-CH2 4.07Å; V465-W790 HydrophobicContact CG1-CZ3 4.45Å; V465-R848 HydrophobicContact CG2-CG 4.24Å
466	D	73.5	Confident	55.3	Low	76 Å²	76	80.1 Å²	80.1	41%	0.406	45%	0.454	S	S	.	.	H	α-helix	trans	-65.8	-39.5	175.2	-68.2	-23.3	0	0	0	111.5	V462 D463 L469 S470	V462-D466 PolarHBondContact O-N 3.32Å; D463-D466 PolarHBondContact O-N 2.95Å; D466-L469 PolarHBondContact O-N 3.13Å; D466-S470 WeakPolarHBondContact O-CB 3.36Å; D466-S470 PolarHBondContact O-N 3.02Å; D466-S470 PolarHBondContact O-OG 3.22Å
467	E	77.3	Confident	55.8	Low	119 Å²	119	75.8 Å²	75.8	56%	0.556	44%	0.436	S	S	*	.	H	α-helix	trans	-61.6	-44	171.6	-175.2	172.9	-158.6	0	0	110.9	D463 L469 S470 E471	D463-E467 VanDerWaalsContact O-CB 3.31Å; D463-E467 WeakPolarHBondContact O-CB 3.21Å; D463-E467 PolarHBondContact O-N 2.77Å; E467-L469 PolarHBondContact O-N 3.4Å; E467-S470 CarbonylContact O-C 3.6Å; E467-S470 WeakPolarHBondContact O-CA 3.09Å; E467-S470 VanDerWaalsContact O-CB 3.25Å; E467-S470 WeakPolarHBondContact O-CB 3.41Å; E467-S470 PolarHBondContact O-N 3.32Å; E467-S470 VanDerWaalsContact O-N 3.11Å; E467-E471 WeakPolarHBondContact O-CG 3.37Å; E467-E471 PolarHBondContact O-N 3.31Å
468	L	72.3	Confident	56	Low	22 Å²	22	70.1 Å²	70.1	12%	0.115	41%	0.413	C	S	.	.	H	α-helix	trans	-68.4	-33.5	177.7	-72.6	172.5	0	0	0	113.6	E464 V465 S470 E471 L472 L845	E464-L468 WeakPolarHBondContact O-CB 2.82Å; E464-L468 WeakPolarHBondContact O-CD1 3.29Å; E464-L468 WeakPolarHBondContact O-CG 3.48Å; E464-L468 PolarHBondContact O-N 2.94Å; V465-L468 PolarHBondContact O-N 2.83Å; L468-S470 VanDerWaalsContact C-N 3.31Å; L468-E471 PolarHBondContact O-N 3.1Å; L468-L472 WeakPolarHBondContact O-CB 3.36Å; L468-L472 PolarHBondContact O-N 3.06Å; L468-L845 HydrophobicContact CD1-CD1 3.46Å; L468-L845 VanDerWaalsContact CD1-CD1 3.46Å; L468-L845 HydrophobicContact CD1-CD2 4.39Å
469	L	72.3	Confident	56	Low	16 Å²	16	66.7 Å²	66.7	8%	0.084	41%	0.406	C	S	.	.	H	α-helix	trans	-68.7	-35.3	170.5	-76	175.7	0	0	0	111.2	V465 D466 E467 L472 E473 L787 R788 W790	V465-L469 HydrophobicContact CG1-CD1 4.39Å; V465-L469 WeakPolarHBondContact O-CG 3.31Å; V465-L469 PolarHBondContact O-N 3.26Å; D466-L469 PolarHBondContact O-N 3.13Å; E467-L469 PolarHBondContact O-N 3.4Å; L469-L472 PolarHBondContact O-N 3.32Å; L469-E473 WeakPolarHBondContact O-CB 3.31Å; L469-E473 PolarHBondContact O-N 2.8Å; L469-L787 VanDerWaalsContact CD2-O 3.31Å; L469-L787 WeakPolarHBondContact CD2-O 3.28Å; L469-R788 VanDerWaalsContact CD1-C 3.5Å; L469-R788 WeakPolarHBondContact CD1-O 3.47Å; L469-W790 HydrophobicContact CD1-CZ3 4.13Å; L469-W790 HydrophobicContact CD2-CZ3 4Å; L469-W790 HydrophobicContact CG-CZ3 4.34Å
470	S	74.1	Confident	55.9	Low	65 Å²	65	69.4 Å²	69.4	46%	0.455	42%	0.418	S	S	.	.	H	α-helix	trans	-65.8	-39.8	171.6	-54.9	0	0	0	0	111.6	D466 E467 L468 E473 Q474	D466-S470 WeakPolarHBondContact O-CB 3.36Å; D466-S470 PolarHBondContact O-N 3.02Å; D466-S470 PolarHBondContact O-OG 3.22Å; E467-S470 CarbonylContact O-C 3.6Å; E467-S470 WeakPolarHBondContact O-CA 3.09Å; E467-S470 VanDerWaalsContact O-CB 3.25Å; E467-S470 WeakPolarHBondContact O-CB 3.41Å; E467-S470 PolarHBondContact O-N 3.32Å; E467-S470 VanDerWaalsContact O-N 3.11Å; L468-S470 VanDerWaalsContact C-N 3.31Å; S470-E473 WeakPolarHBondContact O-CB 3.25Å; S470-E473 PolarHBondContact O-N 3.01Å; S470-Q474 WeakPolarHBondContact O-CB 3.39Å; S470-Q474 PolarHBondContact O-N 3.23Å
471	E	74	Confident	55.6	Low	93 Å²	93	76.6 Å²	76.6	44%	0.435	44%	0.442	S	S	.	.	H	α-helix	trans	-66.3	-40.5	172.6	-73.6	-173.9	177.1	0	0	111.8	E467 L468 E473 Q474 S475	E467-E471 WeakPolarHBondContact O-CG 3.37Å; E467-E471 PolarHBondContact O-N 3.31Å; L468-E471 PolarHBondContact O-N 3.1Å; E471-E473 VanDerWaalsContact C-N 3.33Å; E471-Q474 PolarHBondContact O-N 2.99Å; E471-S475 VanDerWaalsContact O-CB 3.27Å; E471-S475 WeakPolarHBondContact O-CB 3.4Å; E471-S475 PolarHBondContact O-N 2.68Å; E471-S475 PolarHBondContact O-OG 3.41Å
472	L	59.2	Low	54.8	Low	11 Å²	11	78.8 Å²	78.8	6%	0.058	45%	0.449	C	S	.	.	H	α-helix	trans	-62.8	-44.2	175.4	-170.7	69.3	0	0	0	110.2	L468 L469 S475 C476 F784 S831	L468-L472 WeakPolarHBondContact O-CB 3.36Å; L468-L472 PolarHBondContact O-N 3.06Å; L469-L472 PolarHBondContact O-N 3.32Å; L472-S475 PolarHBondContact O-N 2.71Å; L472-S475 PolarHBondContact O-OG 2.89Å; L472-C476 VanDerWaalsContact O-CB 3.26Å; L472-C476 WeakPolarHBondContact O-CB 3.28Å; L472-C476 PolarHBondContact O-N 2.8Å; L472-C476 PolarHBondContact O-SG 3.34Å; L472-F784 HydrophobicContact CD2-CB 3.76Å; L472-S831 VanDerWaalsContact CD1-OG 3.29Å; L472-S831 WeakPolarHBondContact CD1-OG 3.34Å
473	E	63.7	Low	53.8	Low	61 Å²	61	82.1 Å²	82.1	29%	0.285	46%	0.458	S	S	.	.	H	α-helix	trans	-54.2	-49.8	170.5	156.4	164.5	-142.9	0	0	112.1	L469 S470 E471 C476 G477 V478 R804	L469-E473 WeakPolarHBondContact O-CB 3.31Å; L469-E473 PolarHBondContact O-N 2.8Å; S470-E473 WeakPolarHBondContact O-CB 3.25Å; S470-E473 PolarHBondContact O-N 3.01Å; E471-E473 VanDerWaalsContact C-N 3.33Å; E473-C476 PolarHBondContact O-N 3.31Å; E473-G477 PolarHBondContact O-N 2.9Å; E473-V478 HydrophobicContact CG-CB 4.17Å; E473-V478 HydrophobicContact CG-CG2 3.84Å; E473-R804 IonicContact OE1-CZ 2.97Å; E473-R804 IonicContact OE1-NH1 3.38Å; E473-R804 PolarHBondContact OE1-NH1 3.44Å; E473-R804 IonicContact OE1-NH2 3.82Å; E473-R804 PolarHBondContact OE1-NH2 3.34Å; E473-R804 IonicContact OE2-CZ 3.05Å; E473-R804 IonicContact OE2-NH1 3.54Å; E473-R804 IonicContact OE2-NH2 3.01Å; E473-R804 PolarHBondContact OE2-NH2 2.77Å
474	Q	57.1	Low	52	Low	161 Å²	161	82.6 Å²	82.6	75%	0.752	47%	0.467	S	S	*	.	H	α-helix	trans	-67.9	-39.9	-177.8	-159.9	171.7	47.4	0	0	111.6	S470 E471 C476 G477	S470-Q474 WeakPolarHBondContact O-CB 3.39Å; S470-Q474 PolarHBondContact O-N 3.23Å; E471-Q474 PolarHBondContact O-N 2.99Å; Q474-C476 VanDerWaalsContact C-N 3.28Å; Q474-C476 PolarHBondContact O-N 2.97Å; Q474-G477 PolarHBondContact O-N 3.41Å
475	S	54.3	Low	50.1	Low	88 Å²	88	84.9 Å²	84.9	62%	0.615	49%	0.485	S	S	*	.	H	α-helix	trans	-67.3	-28.5	175.4	80	0	0	0	0	112.8	E471 L472 G477	E471-S475 VanDerWaalsContact O-CB 3.27Å; E471-S475 WeakPolarHBondContact O-CB 3.4Å; E471-S475 PolarHBondContact O-N 2.68Å; E471-S475 PolarHBondContact O-OG 3.41Å; L472-S475 PolarHBondContact O-N 2.71Å; L472-S475 PolarHBondContact O-OG 2.89Å; S475-G477 VanDerWaalsContact C-N 3.28Å
476	C	45.3	Very low	48.2	Very low	42 Å²	42	88.2 Å²	88.2	28%	0.284	51%	0.509	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	1	176	-67.8	0	0	0	0	113.3	L472 E473 Q474	L472-C476 VanDerWaalsContact O-CB 3.26Å; L472-C476 WeakPolarHBondContact O-CB 3.28Å; L472-C476 PolarHBondContact O-N 2.8Å; L472-C476 PolarHBondContact O-SG 3.34Å; E473-C476 PolarHBondContact O-N 3.31Å; Q474-C476 VanDerWaalsContact C-N 3.28Å; Q474-C476 PolarHBondContact O-N 2.97Å
477	G	35.7	Very low	46	Very low	43 Å²	43	94.6 Å²	94.6	44%	0.443	53%	0.528	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.9	51	172.2	0	0	0	0	0	113.1	E473 Q474 S475 A479	E473-G477 PolarHBondContact O-N 2.9Å; Q474-G477 PolarHBondContact O-N 3.41Å; S475-G477 VanDerWaalsContact C-N 3.28Å; G477-A479 PolarHBondContact O-N 2.98Å
478	V	33.9	Very low	43.7	Very low	44 Å²	44	95.6 Å²	95.6	27%	0.267	54%	0.537	S	S	.	.			trans	-65.8	85.9	161.1	-174.9	0	0	0	0	107	E473 D480	E473-V478 HydrophobicContact CG-CB 4.17Å; E473-V478 HydrophobicContact CG-CG2 3.84Å; V478-D480 PolarHBondContact O-N 3.16Å
479	A	28.2	Very low	41.5	Very low	83 Å²	83	102.6 Å²	102.6	69%	0.686	57%	0.574	S	S	*	*			trans	-57.1	122.6	154.2	0	0	0	0	0	105.1	G477 E481	G477-A479 PolarHBondContact O-N 2.98Å; A479-E481 PolarHBondContact O-N 3.4Å
480	D	29.4	Very low	39.8	Very low	146 Å²	146	107.4 Å²	107.4	78%	0.781	60%	0.596	S	S	*	*			trans	-37.1	130.9	169.6	-94.4	-39.9	0	0	0	108.5	V478 S482	V478-D480 PolarHBondContact O-N 3.16Å; D480-S482 PolarHBondContact O-N 2.94Å
481	E	26.7	Very low	37.6	Very low	189 Å²	189	111.7 Å²	111.7	88%	0.883	61%	0.613	S	S	*	*			trans	-64.7	75.9	163.9	-68.9	-150.9	147.9	0	0	107.3	A479 E483	A479-E481 PolarHBondContact O-N 3.4Å; E481-E483 PolarHBondContact O-N 3.02Å
482	S	26.9	Very low	35.5	Very low	95 Å²	95	110.9 Å²	110.9	66%	0.664	62%	0.623	S	S	*	*			trans	-58.5	115	159.4	56.1	0	0	0	0	105	D480	D480-S482 PolarHBondContact O-N 2.94Å
483	E	27.4	Very low	34.1	Very low	169 Å²	169	118.4 Å²	118.4	79%	0.79	66%	0.661	S	S	*	*			trans	-33	144.6	175.8	-73.2	-158.2	153.3	0	0	112.4	E481 V485	E481-E483 PolarHBondContact O-N 3.02Å; E483-V485 PolarHBondContact O-N 2.82Å
484	P	26.2	Very low	32.5	Very low	115 Å²	115	126.5 Å²	126.5	75%	0.747	69%	0.689	S	S	*	*			trans	-52.1	108.5	-169.2	22.1	-33.9	0	0	0	109.9	S486	P484-S486 PolarHBondContact O-N 2.92Å
485	V	26.1	Very low	31.4	Very low	113 Å²	113	124.6 Å²	124.6	69%	0.685	69%	0.691	S	S	*	*			trans	-70.3	71.9	171.1	-174.6	0	0	0	0	107.2	E483 R487	E483-V485 PolarHBondContact O-N 2.82Å; V485-R487 HydrophobicContact CG1-CB 4.19Å; V485-R487 PolarHBondContact O-N 3.39Å
486	S	29.4	Very low	30.2	Very low	101 Å²	101	127.3 Å²	127.3	71%	0.706	70%	0.704	S	S	*	*			trans	-73.1	60.9	156.3	-68.6	0	0	0	0	107.8	P484	P484-S486 PolarHBondContact O-N 2.92Å
487	R	26.2	Very low	29.4	Very low	210 Å²	210	129.1 Å²	129.1	79%	0.792	73%	0.729	S	S	*	*	S	Bend	trans	-142.1	92.2	167.2	-71.4	-167.3	176.2	151.5	1.4	109.7	V485	V485-R487 HydrophobicContact CG1-CB 4.19Å; V485-R487 PolarHBondContact O-N 3.39Å
488	N	28.5	Very low	29.2	Very low	141 Å²	141	135.9 Å²	135.9	75%	0.754	75%	0.749	S	S	*	*			trans	59.7	83.1	147.1	-60.3	-27.2	0	0	0	118.1	Q490	N488-Q490 HydrophobicContact CB-CB 4.28Å; N488-Q490 PolarHBondContact O-N 3.47Å
489	L	26.7	Very low	29.2	Very low	169 Å²	169	140.7 Å²	140.7	89%	0.885	77%	0.773	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.6	45.9	148.2	-167.4	75.3	0	0	0	111.4
490	Q	35.8	Very low	29.4	Very low	117 Å²	117	145.3 Å²	145.3	55%	0.547	78%	0.783	S	S	.	*	T	Hydrogen-bonded Turn	trans	-116	-2.2	-176.4	-158.9	57.9	80.4	0	0	113.4	N488	N488-Q490 HydrophobicContact CB-CB 4.28Å; N488-Q490 PolarHBondContact O-N 3.47Å
491	N	29.7	Very low	29.6	Very low	154 Å²	154	143.4 Å²	143.4	82%	0.824	78%	0.777	S	S	*	*	S	Bend	trans	-128.5	17.7	-176.9	-87.7	0.6	0	0	0	116.5
492	A	29.5	Very low	30.2	Very low	76 Å²	76	141.5 Å²	141.5	63%	0.628	77%	0.772	S	S	*	*	S	Bend	trans	-105	104.1	158.4	0	0	0	0	0	107.4
493	I	30	Very low	30.9	Very low	169 Å²	169	141.6 Å²	141.6	87%	0.867	77%	0.769	S	S	*	*			trans	135.2	71.7	171.8	-63.2	151.8	0	0	0	107.6
494	R	28.8	Very low	32.4	Very low	232 Å²	232	138.2 Å²	138.2	88%	0.875	76%	0.764	S	S	*	*			trans	-138.1	122.8	149.1	-81.9	-166.6	175.4	-165.6	-1	107.9
495	P	34.6	Very low	34.4	Very low	120 Å²	120	140.7 Å²	140.7	78%	0.779	77%	0.766	S	S	*	*			trans	-90.2	114.4	-177.3	32.8	-27.7	0	0	0	109.5
496	T	28.9	Very low	36.7	Very low	146 Å²	146	137.8 Å²	137.8	90%	0.896	75%	0.748	S	S	*	*			trans	-174.2	122.9	153.3	44.7	0	0	0	0	108.4
497	G	29.4	Very low	39.5	Very low	79 Å²	79	135.9 Å²	135.9	81%	0.814	73%	0.734	S	S	*	*			trans	126.5	101.9	167	0	0	0	0	0	112.7	D499	G497-D499 PolarHBondContact O-N 2.92Å; G497-D499 VanDerWaalsContact O-N 3.16Å
498	H	30.8	Very low	42.6	Very low	186 Å²	186	129.3 Å²	129.3	86%	0.861	72%	0.72	S	S	*	*			trans	-67.7	98.3	173.6	-161.8	-65	0	0	0	108.7
499	D	34.5	Very low	45.7	Very low	144 Å²	144	124 Å²	124	77%	0.77	69%	0.691	S	S	*	*			trans	-149.9	121.6	157.7	-125.9	-13.5	0	0	0	110	G497 T501	G497-D499 PolarHBondContact O-N 2.92Å; G497-D499 VanDerWaalsContact O-N 3.16Å; D499-T501 VanDerWaalsContact C-N 3.28Å; D499-T501 PolarHBondContact O-N 3.34Å
500	M	31	Very low	48.9	Very low	180 Å²	180	120.2 Å²	120.2	89%	0.887	67%	0.669	S	S	*	*			trans	-73.9	79.4	-177.6	-75.5	-97.2	-179.3	0	0	109.2
501	T	34.5	Very low	51.7	Low	107 Å²	107	115.1 Å²	115.1	66%	0.656	65%	0.648	S	S	*	*			trans	-91.6	116.2	158.1	46	0	0	0	0	107.6	D499 T503	D499-T501 VanDerWaalsContact C-N 3.28Å; D499-T501 PolarHBondContact O-N 3.34Å; T501-T503 PolarHBondContact O-N 3.18Å
502	D	38.4	Very low	54.8	Low	148 Å²	148	111 Å²	111	79%	0.791	63%	0.631	S	S	*	*			trans	-66.9	66.7	171.4	-165.5	3.9	0	0	0	109.1	S504	D502-S504 VanDerWaalsContact C-N 3.29Å; D502-S504 PolarHBondContact O-N 2.99Å; D502-S504 VanDerWaalsContact O-N 3.11Å
503	T	42.8	Very low	57.9	Low	98 Å²	98	107.5 Å²	107.5	60%	0.601	60%	0.602	S	S	*	*			trans	-75.1	94.9	163.5	50.8	0	0	0	0	105	T501 E505	T501-T503 PolarHBondContact O-N 3.18Å; T503-E505 PolarHBondContact O-N 3.41Å
504	S	59.1	Low	61	Low	98 Å²	98	102.9 Å²	102.9	69%	0.685	58%	0.575	S	S	*	*			trans	-59.5	82.9	174.5	-49.6	0	0	0	0	109.7	D502 V506	D502-S504 VanDerWaalsContact C-N 3.29Å; D502-S504 PolarHBondContact O-N 2.99Å; D502-S504 VanDerWaalsContact O-N 3.11Å; S504-V506 PolarHBondContact O-N 3.25Å
505	E	68.7	Low	64.2	Low	166 Å²	166	92 Å²	92	78%	0.776	53%	0.534	S	S	*	.	P	Polyproline II helix	trans	-61.5	120.3	177.2	-72.1	-174	168.1	0	0	108.4	T503 P507	T503-E505 PolarHBondContact O-N 3.41Å; E505-P507 WeakPolarHBondContact O-CD 3.44Å
506	V	74.4	Confident	66.8	Low	53 Å²	53	87.1 Å²	87.1	32%	0.321	50%	0.501	S	S	.	.	P	Polyproline II helix	trans	-59.8	121.7	177.1	177.9	0	0	0	0	108.1	S504 E535 A638	S504-V506 PolarHBondContact O-N 3.25Å; V506-E535 HydrophobicContact CB-CG 4.49Å; V506-E535 HydrophobicContact CG1-CG 4.19Å; V506-A638 HydrophobicContact CG1-CB 4.48Å
507	P	87.6	Confident	69.5	Low	61 Å²	61	84 Å²	84	40%	0.396	47%	0.473	S	S	.	.	P	Polyproline II helix	trans	-56.5	144.4	-178	-25.1	33	0	0	0	112.2	E505 L637	E505-P507 WeakPolarHBondContact O-CD 3.44Å; P507-L637 HydrophobicContact CB-CB 3.98Å; P507-L637 WeakPolarHBondContact O-CB 3.33Å
508	S	90.1	Very high	71.4	Confident	71 Å²	71	84 Å²	84	50%	0.497	45%	0.454	S	S	.	.			trans	-119.5	149.9	173.9	63.1	0	0	0	0	111.4	I533	S508-I533 CarbonylContact C-O 3.58Å; S508-I533 VanDerWaalsContact CA-O 3.26Å; S508-I533 WeakPolarHBondContact CA-O 3.36Å
509	L	93.8	Very high	72.8	Confident	29 Å²	29	82 Å²	82	15%	0.152	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	116	172.4	177.1	66.8	0	0	0	108.2	V532 I533 C623 W624 A627 L637	L509-V532 CarbonylContact O-C 3.56Å; L509-V532 WeakPolarHBondContact O-CA 3.31Å; L509-I533 HydrophobicContact CB-CB 4.4Å; L509-I533 PolarHBondContact N-O 3.07Å; L509-I533 PolarHBondContact O-N 3.41Å; L509-C623 HydrophobicContact CD2-CB 4.45Å; L509-W624 HydrophobicContact CD2-CD2 3.95Å; L509-W624 HydrophobicContact CD2-CG 3.97Å; L509-W624 HydrophobicContact CG-CZ2 4.27Å; L509-A627 HydrophobicContact CD2-CB 3.78Å; L509-L637 HydrophobicContact CB-CD1 3.65Å
510	E	94.5	Very high	73.7	Confident	90 Å²	90	78.5 Å²	78.5	42%	0.421	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	149.6	179.3	60.5	167.5	-145.8	0	0	112.4	W530 A531 V532 K544	E510-W530 HydrophobicContact CB-CZ2 3.87Å; E510-W530 VanDerWaalsContact CD-CZ2 3.47Å; E510-W530 HydrophobicContact CG-CZ2 3.87Å; E510-A531 VanDerWaalsContact CA-O 3.32Å; E510-A531 WeakPolarHBondContact CA-O 3.03Å; E510-V532 HydrophobicContact CB-CG1 4.45Å; E510-V532 HydrophobicContact CB-CG2 3.95Å; E510-K544 IonicContact OE1-NZ 3.03Å; E510-K544 PolarHBondContact OE1-NZ 3.33Å
511	G	94.4	Very high	74.9	Confident	10 Å²	10	82 Å²	82	10%	0.103	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	176.8	164.3	176	0	0	0	0	0	114	A531	G511-A531 PolarHBondContact N-O 3.01Å; G511-A531 PolarHBondContact O-N 2.83Å
512	S	94.9	Very high	76	Confident	67 Å²	67	83.1 Å²	83.1	47%	0.469	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	122.3	171.7	-167.5	0	0	0	0	110.2	Y529 Q620	S512-Y529 WeakPolarHBondContact CA-O 3.24Å; S512-Y529 PolarHBondContact OG-O 3.39Å; S512-Q620 PolarHBondContact O-NE2 2.95Å; S512-Q620 VanDerWaalsContact O-NE2 3.08Å
513	I	95.6	Very high	77.5	Confident	3 Å²	3	83 Å²	83	2%	0.015	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	154.3	-178	67.4	172.9	0	0	0	110.8	V515 A528 Y529 A531 L613 F615 W624	I513-V515 HydrophobicContact CD1-CG2 4.04Å; I513-V515 HydrophobicContact CG1-CG2 3.87Å; I513-A528 WeakPolarHBondContact O-CA 3.35Å; I513-Y529 PolarHBondContact N-O 2.76Å; I513-Y529 PolarHBondContact O-N 3.23Å; I513-A531 HydrophobicContact CD1-CB 3.33Å; I513-A531 HydrophobicContact CG1-CB 3.55Å; I513-L613 HydrophobicContact CD1-CB 4.44Å; I513-L613 HydrophobicContact CD1-CD1 4.41Å; I513-L613 HydrophobicContact CD1-CD2 3.96Å; I513-F615 HydrophobicContact CB-CE1 4.3Å; I513-F615 HydrophobicContact CG2-CD1 3.98Å; I513-F615 HydrophobicContact CG2-CE1 3.74Å; I513-W624 HydrophobicContact CD1-CE3 4.15Å; I513-W624 HydrophobicContact CD1-CH2 4.09Å; I513-W624 HydrophobicContact CD1-CZ3 3.82Å; I513-W624 HydrophobicContact CG2-CD2 4.36Å; I513-W624 HydrophobicContact CG2-CH2 4.43Å; I513-W624 HydrophobicContact CG2-CZ2 3.92Å
514	K	95.2	Very high	79	Confident	72 Å²	72	83.8 Å²	83.8	31%	0.313	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	117.9	177.8	-74.4	168.1	-171.4	151.3	0	109.2	Y526 K527 K614 D616	K514-Y526 HydrophobicContact CB-CD1 4.42Å; K514-K527 CarbonylContact C-O 3.53Å; K514-K614 HydrophobicContact CB-CB 3.99Å; K514-K614 PolarHBondContact N-O 3Å; K514-K614 VanDerWaalsContact N-O 3.12Å; K514-K614 PolarHBondContact O-N 3.38Å; K514-D616 VanDerWaalsContact NZ-CG 3.35Å; K514-D616 IonicContact NZ-OD1 2.68Å; K514-D616 PolarHBondContact NZ-OD1 3.12Å; K514-D616 IonicContact NZ-OD2 2.68Å; K514-D616 PolarHBondContact NZ-OD2 3.23Å
515	V	94.2	Very high	80.1	Confident	3 Å²	3	88.8 Å²	88.8	2%	0.018	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	136	-177.4	-174.3	0	0	0	0	110.6	I513 K527 Y529 L540 I611 W612 L613	I513-V515 HydrophobicContact CD1-CG2 4.04Å; I513-V515 HydrophobicContact CG1-CG2 3.87Å; V515-K527 PolarHBondContact N-O 3.33Å; V515-K527 PolarHBondContact O-N 2.82Å; V515-Y529 HydrophobicContact CB-CD2 3.69Å; V515-Y529 HydrophobicContact CB-CE2 4.11Å; V515-Y529 HydrophobicContact CG2-CD2 3.91Å; V515-Y529 HydrophobicContact CG2-CG 4.5Å; V515-L540 HydrophobicContact CG1-CD1 3.98Å; V515-L540 HydrophobicContact CG2-CD1 4.29Å; V515-L540 HydrophobicContact CG2-CD2 4.06Å; V515-I611 HydrophobicContact CG1-CD1 3.55Å; V515-I611 HydrophobicContact CG1-CG1 3.53Å; V515-W612 CarbonylContact C-O 3.54Å; V515-W612 VanDerWaalsContact CA-O 3.31Å; V515-W612 WeakPolarHBondContact CA-O 3.47Å; V515-L613 HydrophobicContact CG1-CD2 4.17Å; V515-L613 HydrophobicContact CG2-CD2 3.93Å
516	F	90.7	Very high	81.1	Confident	18 Å²	18	84.2 Å²	84.2	8%	0.079	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	129.3	164.4	168	-103.3	0	0	0	109.1	D518 K524 R525 Y526 W612	F516-D518 HydrophobicContact CE1-CB 4.29Å; F516-D518 HydrophobicContact CZ-CB 4.3Å; F516-K524 HydrophobicContact CD1-CB 4.39Å; F516-K524 HydrophobicContact CD1-CD 4.39Å; F516-K524 HydrophobicContact CD1-CG 4.18Å; F516-K524 HydrophobicContact CD2-CB 4.32Å; F516-K524 HydrophobicContact CE1-CB 4.29Å; F516-K524 HydrophobicContact CE1-CD 4.18Å; F516-K524 HydrophobicContact CE1-CG 3.73Å; F516-K524 HydrophobicContact CE2-CB 4.21Å; F516-K524 HydrophobicContact CE2-CG 4.35Å; F516-K524 HydrophobicContact CG-CB 4.41Å; F516-K524 HydrophobicContact CZ-CB 4.19Å; F516-K524 HydrophobicContact CZ-CG 3.82Å; F516-R525 WeakPolarHBondContact CD2-O 3.35Å; F516-Y526 HydrophobicContact CB-CD1 3.63Å; F516-Y526 HydrophobicContact CB-CD2 4.46Å; F516-Y526 HydrophobicContact CB-CE1 3.64Å; F516-Y526 HydrophobicContact CB-CE2 4.47Å; F516-Y526 HydrophobicContact CB-CG 4.06Å; F516-W612 HydrophobicContact CB-CB 4.12Å; F516-W612 HydrophobicContact CD1-CB 4.15Å; F516-W612 AromaticContact CD1-CD1 3.62Å; F516-W612 AromaticContact CD1-CG 3.97Å; F516-W612 HydrophobicContact CD1-CG 3.97Å; F516-W612 PolarHBondContact N-O 3.4Å; F516-W612 PolarHBondContact O-N 2.86Å
517	R	85	Confident	82	Confident	81 Å²	81	87.5 Å²	87.5	31%	0.306	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	126.5	177.4	61.9	-177.7	-158	167.6	7.2	108.6	R519	R517-R519 HydrophobicContact CG-CG 4.36Å; R517-R519 VanDerWaalsContact CZ-NE 3.27Å; R517-R519 PolarHBondContact O-N 2.9Å; R517-R519 VanDerWaalsContact O-N 3.12Å
518	D	68.5	Low	82.3	Confident	79 Å²	79	87.2 Å²	87.2	42%	0.422	42%	0.417	S	S	.	.			trans	-80.7	92.7	178.9	-166.6	1.4	0	0	0	109.4	F516	F516-D518 HydrophobicContact CE1-CB 4.29Å; F516-D518 HydrophobicContact CZ-CB 4.3Å
519	R	61.3	Low	82.5	Confident	145 Å²	145	85.1 Å²	85.1	55%	0.547	40%	0.398	S	S	.	.	S	Bend	trans	-106.9	-13.3	172.8	-71.9	-164.1	177.2	-166.9	-3.8	113.3	R517	R517-R519 HydrophobicContact CG-CG 4.36Å; R517-R519 VanDerWaalsContact CZ-NE 3.27Å; R517-R519 PolarHBondContact O-N 2.9Å; R517-R519 VanDerWaalsContact O-N 3.12Å
520	S	52.6	Low	82.6	Confident	70 Å²	70	85.3 Å²	85.3	49%	0.49	40%	0.397	S	S	.	.	S	Bend	trans	-160.1	141	175.8	59.5	0	0	0	0	107	L522	S520-L522 PolarHBondContact O-N 2.79Å
521	R	57.1	Low	82.7	Confident	252 Å²	252	81 Å²	81	95%	0.951	38%	0.377	S	S	*	.	S	Bend	trans	-65.6	35.6	-176.6	-57	-162	-165.3	-131.8	9.1	114.8
522	L	56.8	Low	82.7	Confident	132 Å²	132	81.4 Å²	81.4	69%	0.691	38%	0.377	S	S	*	.	S	Bend	trans	-85.9	159.2	170.7	-64.5	172.4	0	0	0	110.1	S520 K524	S520-L522 PolarHBondContact O-N 2.79Å; L522-K524 PolarHBondContact O-N 2.92Å
523	L	70.4	Confident	82.7	Confident	145 Å²	145	78.4 Å²	78.4	76%	0.759	36%	0.356	S	S	*	.			trans	-43	136.2	-178.9	-165.8	75.4	0	0	0	112.8	R525	L523-R525 PolarHBondContact O-N 2.87Å
524	K	74.1	Confident	82.5	Confident	114 Å²	114	80 Å²	80	50%	0.496	37%	0.366	S	S	.	.			trans	-56.7	96.5	179.7	-65.8	-168.7	177.3	-174.3	0	111.7	F516 L522	F516-K524 HydrophobicContact CD1-CB 4.39Å; F516-K524 HydrophobicContact CD1-CD 4.39Å; F516-K524 HydrophobicContact CD1-CG 4.18Å; F516-K524 HydrophobicContact CD2-CB 4.32Å; F516-K524 HydrophobicContact CE1-CB 4.29Å; F516-K524 HydrophobicContact CE1-CD 4.18Å; F516-K524 HydrophobicContact CE1-CG 3.73Å; F516-K524 HydrophobicContact CE2-CB 4.21Å; F516-K524 HydrophobicContact CE2-CG 4.35Å; F516-K524 HydrophobicContact CG-CB 4.41Å; F516-K524 HydrophobicContact CZ-CB 4.19Å; F516-K524 HydrophobicContact CZ-CG 3.82Å; L522-K524 PolarHBondContact O-N 2.92Å
525	R	81.7	Confident	82.3	Confident	203 Å²	203	81.6 Å²	81.6	77%	0.766	37%	0.374	S	S	*	.			trans	-104.5	105.9	177.1	-74	-174	-179.3	-171.4	1.2	110.4	F516 L523	F516-R525 WeakPolarHBondContact CD2-O 3.35Å; L523-R525 PolarHBondContact O-N 2.87Å
526	Y	90.3	Very high	82	Confident	70 Å²	70	81.9 Å²	81.9	28%	0.275	38%	0.377	S	S	.	.			trans	-73.9	132.9	172.1	-69.3	-89.3	0	0	0	110.6	K514 F516 W612 K614	K514-Y526 HydrophobicContact CB-CD1 4.42Å; F516-Y526 HydrophobicContact CB-CD1 3.63Å; F516-Y526 HydrophobicContact CB-CD2 4.46Å; F516-Y526 HydrophobicContact CB-CE1 3.64Å; F516-Y526 HydrophobicContact CB-CE2 4.47Å; F516-Y526 HydrophobicContact CB-CG 4.06Å; Y526-W612 HydrophobicContact CE1-CB 4Å; Y526-K614 HydrophobicContact CD1-CB 3.85Å; Y526-K614 HydrophobicContact CE1-CB 3.77Å
527	K	92.8	Very high	82.1	Confident	122 Å²	122	86 Å²	86	53%	0.53	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	140.3	174.5	178.9	173.1	175.9	-175.7	0	109.6	K514 V515 Y529	K514-K527 CarbonylContact C-O 3.53Å; V515-K527 PolarHBondContact N-O 3.33Å; V515-K527 PolarHBondContact O-N 2.82Å; K527-Y529 HydrophobicContact CB-CD2 4.45Å; K527-Y529 HydrophobicContact CB-CE2 3.74Å; K527-Y529 HydrophobicContact CD-CE2 4.14Å; K527-Y529 HydrophobicContact CG-CD2 4.47Å; K527-Y529 HydrophobicContact CG-CE2 3.85Å; K527-Y529 WeakPolarHBondContact O-CD2 3.22Å
528	A	93.9	Very high	82.6	Confident	55 Å²	55	82.2 Å²	82.2	46%	0.455	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	134.5	177.1	0	0	0	0	0	110.8	I513	I513-A528 WeakPolarHBondContact O-CA 3.35Å
529	Y	94.3	Very high	83.9	Confident	28 Å²	28	80.3 Å²	80.3	11%	0.11	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	159.2	173.9	-69.5	-88.4	0	0	0	109.5	S512 I513 V515 K527 F541 L551	S512-Y529 WeakPolarHBondContact CA-O 3.24Å; S512-Y529 PolarHBondContact OG-O 3.39Å; I513-Y529 PolarHBondContact N-O 2.76Å; I513-Y529 PolarHBondContact O-N 3.23Å; V515-Y529 HydrophobicContact CB-CD2 3.69Å; V515-Y529 HydrophobicContact CB-CE2 4.11Å; V515-Y529 HydrophobicContact CG2-CD2 3.91Å; V515-Y529 HydrophobicContact CG2-CG 4.5Å; K527-Y529 HydrophobicContact CB-CD2 4.45Å; K527-Y529 HydrophobicContact CB-CE2 3.74Å; K527-Y529 HydrophobicContact CD-CE2 4.14Å; K527-Y529 HydrophobicContact CG-CD2 4.47Å; K527-Y529 HydrophobicContact CG-CE2 3.85Å; K527-Y529 WeakPolarHBondContact O-CD2 3.22Å; Y529-F541 WeakPolarHBondContact CB-O 3.29Å; Y529-F541 WeakPolarHBondContact CD1-O 3.47Å; Y529-L551 HydrophobicContact CD1-CD1 3.88Å; Y529-L551 HydrophobicContact CE1-CD1 3.64Å
530	W	96.1	Very high	85.4	Confident	33 Å²	33	73.6 Å²	73.6	13%	0.125	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	113.9	162.3	-174.4	-100.2	0	0	0	107.7	E510 F541 N543 K544	E510-W530 HydrophobicContact CB-CZ2 3.87Å; E510-W530 VanDerWaalsContact CD-CZ2 3.47Å; E510-W530 HydrophobicContact CG-CZ2 3.87Å; W530-F541 HydrophobicContact CB-CB 4.2Å; W530-F541 PolarHBondContact N-O 3.41Å; W530-F541 PolarHBondContact O-N 3.17Å; W530-N543 VanDerWaalsContact CB-C 3.47Å; W530-K544 HydrophobicContact CD2-CB 3.75Å; W530-K544 HydrophobicContact CD2-CG 4.17Å; W530-K544 HydrophobicContact CE3-CB 3.87Å; W530-K544 HydrophobicContact CE3-CG 4.46Å; W530-K544 HydrophobicContact CG-CB 4.27Å; W530-K544 HydrophobicContact CH2-CB 4.28Å; W530-K544 HydrophobicContact CH2-CD 3.57Å; W530-K544 HydrophobicContact CH2-CG 4.05Å; W530-K544 HydrophobicContact CZ2-CB 4.13Å; W530-K544 HydrophobicContact CZ2-CD 3.56Å; W530-K544 HydrophobicContact CZ2-CG 3.67Å; W530-K544 HydrophobicContact CZ3-CB 4.14Å; W530-K544 HydrophobicContact CZ3-CD 4.15Å; W530-K544 HydrophobicContact CZ3-CG 4.42Å
531	A	96.3	Very high	87.4	Confident	0 Å²	0	71.1 Å²	71.1	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	145.2	-178.4	0	0	0	0	0	110.3	E510 G511 I513 L538 Y539 L540 W624	E510-A531 VanDerWaalsContact CA-O 3.32Å; E510-A531 WeakPolarHBondContact CA-O 3.03Å; G511-A531 PolarHBondContact N-O 3.01Å; G511-A531 PolarHBondContact O-N 2.83Å; I513-A531 HydrophobicContact CD1-CB 3.33Å; I513-A531 HydrophobicContact CG1-CB 3.55Å; A531-L538 HydrophobicContact CB-CD1 4.04Å; A531-Y539 CarbonylContact C-O 3.56Å; A531-Y539 VanDerWaalsContact CA-O 3.24Å; A531-Y539 WeakPolarHBondContact CA-O 3.47Å; A531-L540 HydrophobicContact CB-CD2 3.71Å; A531-W624 HydrophobicContact CB-CH2 3.37Å; A531-W624 HydrophobicContact CB-CZ2 4.27Å; A531-W624 HydrophobicContact CB-CZ3 3.85Å
532	V	95.1	Very high	89	Confident	18 Å²	18	65 Å²	65	11%	0.109	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	127.4	176.8	-175.2	0	0	0	0	108.7	L509 E510 Y539 F541	L509-V532 CarbonylContact O-C 3.56Å; L509-V532 WeakPolarHBondContact O-CA 3.31Å; E510-V532 HydrophobicContact CB-CG1 4.45Å; E510-V532 HydrophobicContact CB-CG2 3.95Å; V532-Y539 PolarHBondContact N-O 3Å; V532-Y539 PolarHBondContact O-N 2.82Å; V532-F541 HydrophobicContact CB-CE2 4.25Å; V532-F541 HydrophobicContact CG2-CD2 4.12Å; V532-F541 HydrophobicContact CG2-CE2 3.83Å
533	I	95	Very high	90.6	Very high	4 Å²	4	61.6 Å²	61.6	2%	0.021	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	119.4	167.3	-65.6	175.6	0	0	0	108.6	S508 L509 R537 L538 L556 W624 A627 L637	S508-I533 CarbonylContact C-O 3.58Å; S508-I533 VanDerWaalsContact CA-O 3.26Å; S508-I533 WeakPolarHBondContact CA-O 3.36Å; L509-I533 HydrophobicContact CB-CB 4.4Å; L509-I533 PolarHBondContact N-O 3.07Å; L509-I533 PolarHBondContact O-N 3.41Å; I533-R537 VanDerWaalsContact CA-O 3.24Å; I533-R537 WeakPolarHBondContact CA-O 3.27Å; I533-L538 HydrophobicContact CD1-CD1 4.4Å; I533-L538 HydrophobicContact CG1-CB 4.3Å; I533-L538 HydrophobicContact CG1-CD1 3.79Å; I533-L556 HydrophobicContact CD1-CD1 3.99Å; I533-L556 HydrophobicContact CG1-CD1 4.16Å; I533-L556 HydrophobicContact CG2-CD1 3.82Å; I533-W624 HydrophobicContact CD1-CE3 3.64Å; I533-W624 HydrophobicContact CD1-CZ3 3.62Å; I533-W624 HydrophobicContact CG1-CE3 4.3Å; I533-W624 HydrophobicContact CG1-CH2 4.42Å; I533-W624 HydrophobicContact CG1-CZ3 3.75Å; I533-A627 HydrophobicContact CD1-CB 3.89Å; I533-A627 HydrophobicContact CG2-CB 4.47Å; I533-L637 HydrophobicContact CG2-CD1 4.38Å
534	V	92.2	Very high	91.5	Very high	37 Å²	37	60.4 Å²	60.4	22%	0.224	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	143.9	173.4	62.9	0	0	0	0	108.1	A536 R537 Y539	V534-A536 VanDerWaalsContact C-N 3.27Å; V534-A536 PolarHBondContact O-N 3.4Å; V534-A536 VanDerWaalsContact O-N 3.12Å; V534-R537 PolarHBondContact N-O 3.13Å; V534-R537 VanDerWaalsContact N-O 3.11Å; V534-R537 PolarHBondContact O-N 2.97Å; V534-Y539 HydrophobicContact CG1-CD2 3.9Å; V534-Y539 HydrophobicContact CG1-CE2 3.5Å; V534-Y539 VanDerWaalsContact CG1-CE2 3.5Å
535	E	89.5	Confident	92.1	Very high	104 Å²	104	59.4 Å²	59.4	49%	0.486	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.6	41.5	178.2	-68	177.1	179.4	0	0	114.9	V506 R537	V506-E535 HydrophobicContact CB-CG 4.49Å; V506-E535 HydrophobicContact CG1-CG 4.19Å; E535-R537 PolarHBondContact O-N 3.21Å
536	A	88.9	Confident	92.1	Very high	10 Å²	10	54 Å²	54	8%	0.083	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.3	31.8	-176.8	0	0	0	0	0	113.9	V534 L556	V534-A536 VanDerWaalsContact C-N 3.27Å; V534-A536 PolarHBondContact O-N 3.4Å; V534-A536 VanDerWaalsContact O-N 3.12Å; A536-L556 WeakPolarHBondContact O-CA 3.3Å; A536-L556 WeakPolarHBondContact O-CB 3.23Å; A536-L556 PolarHBondContact O-N 2.95Å
537	R	93.1	Very high	91.7	Very high	105 Å²	105	53.7 Å²	53.7	40%	0.396	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	143.8	172.2	-67.1	-179.3	168.3	128.8	-3.1	110.4	I533 V534 E535 Y539 E553 Y554	I533-R537 VanDerWaalsContact CA-O 3.24Å; I533-R537 WeakPolarHBondContact CA-O 3.27Å; V534-R537 PolarHBondContact N-O 3.13Å; V534-R537 VanDerWaalsContact N-O 3.11Å; V534-R537 PolarHBondContact O-N 2.97Å; E535-R537 PolarHBondContact O-N 3.21Å; R537-Y539 HydrophobicContact CB-CD2 4.39Å; R537-Y539 HydrophobicContact CB-CE2 3.57Å; R537-Y539 WeakPolarHBondContact CD-OH 3.43Å; R537-E553 WeakPolarHBondContact CD-OE1 3.25Å; R537-E553 IonicContact NE-OE1 3.64Å; R537-Y554 WeakPolarHBondContact CA-O 3.46Å
538	L	94.8	Very high	91.2	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	118.7	175.5	169.3	67.3	0	0	0	109.6	A531 I533 L540 E553 Y554 L556 L576 I611 L613 W624	A531-L538 HydrophobicContact CB-CD1 4.04Å; I533-L538 HydrophobicContact CD1-CD1 4.4Å; I533-L538 HydrophobicContact CG1-CB 4.3Å; I533-L538 HydrophobicContact CG1-CD1 3.79Å; L538-L540 HydrophobicContact CD1-CD2 4.17Å; L538-L540 HydrophobicContact CG-CD2 4.27Å; L538-E553 WeakPolarHBondContact O-CA 3.48Å; L538-Y554 HydrophobicContact CD2-CD2 4.31Å; L538-Y554 HydrophobicContact CG-CD2 4.46Å; L538-Y554 PolarHBondContact N-O 3.34Å; L538-Y554 PolarHBondContact O-N 2.9Å; L538-L556 HydrophobicContact CB-CD1 4.45Å; L538-L556 HydrophobicContact CB-CD2 3.87Å; L538-L556 HydrophobicContact CB-CG 4.2Å; L538-L576 HydrophobicContact CD2-CD1 4.08Å; L538-I611 HydrophobicContact CD2-CD1 4.1Å; L538-L613 HydrophobicContact CD2-CD1 4.23Å; L538-L613 HydrophobicContact CD2-CD2 4.23Å; L538-W624 HydrophobicContact CD1-CZ3 3.83Å
539	Y	95.1	Very high	90.7	Very high	39 Å²	39	60.3 Å²	60.3	15%	0.153	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	135.3	176.4	-60.5	-87.1	0	0	0	110.1	A531 V532 V534 R537 E553	A531-Y539 CarbonylContact C-O 3.56Å; A531-Y539 VanDerWaalsContact CA-O 3.24Å; A531-Y539 WeakPolarHBondContact CA-O 3.47Å; V532-Y539 PolarHBondContact N-O 3Å; V532-Y539 PolarHBondContact O-N 2.82Å; V534-Y539 HydrophobicContact CG1-CD2 3.9Å; V534-Y539 HydrophobicContact CG1-CE2 3.5Å; V534-Y539 VanDerWaalsContact CG1-CE2 3.5Å; R537-Y539 HydrophobicContact CB-CD2 4.39Å; R537-Y539 HydrophobicContact CB-CE2 3.57Å; R537-Y539 WeakPolarHBondContact CD-OH 3.43Å; Y539-E553 HydrophobicContact CD1-CB 4.2Å; Y539-E553 HydrophobicContact CD1-CG 3.98Å; Y539-E553 HydrophobicContact CE1-CB 4.24Å; Y539-E553 HydrophobicContact CE1-CG 3.6Å; Y539-E553 WeakPolarHBondContact CE1-OE1 3.25Å; Y539-E553 PolarHBondContact OH-OE1 2.79Å; Y539-E553 VanDerWaalsContact OH-OE1 3.11Å
540	L	94.3	Very high	90.4	Very high	4 Å²	4	61.6 Å²	61.6	2%	0.021	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	128	174.8	-58.3	-174.4	0	0	0	110.9	V515 A531 L538 L551 A552 Y554 I611	V515-L540 HydrophobicContact CG1-CD1 3.98Å; V515-L540 HydrophobicContact CG2-CD1 4.29Å; V515-L540 HydrophobicContact CG2-CD2 4.06Å; A531-L540 HydrophobicContact CB-CD2 3.71Å; L538-L540 HydrophobicContact CD1-CD2 4.17Å; L538-L540 HydrophobicContact CG-CD2 4.27Å; L540-L551 WeakPolarHBondContact O-CB 3.24Å; L540-L551 PolarHBondContact O-N 2.82Å; L540-A552 HydrophobicContact CB-CB 4.37Å; L540-A552 HydrophobicContact CD1-CB 4.3Å; L540-A552 PolarHBondContact N-O 3.44Å; L540-Y554 HydrophobicContact CD1-CE2 3.8Å; L540-Y554 HydrophobicContact CG-CE2 4.25Å; L540-I611 HydrophobicContact CD1-CD1 3.88Å
541	F	94.2	Very high	90	Very high	19 Å²	19	63.3 Å²	63.3	8%	0.083	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	159.7	177.3	-55.4	-84.5	0	0	0	110.5	Y529 W530 V532 N543 T547 E549 C550	Y529-F541 WeakPolarHBondContact CB-O 3.29Å; Y529-F541 WeakPolarHBondContact CD1-O 3.47Å; W530-F541 HydrophobicContact CB-CB 4.2Å; W530-F541 PolarHBondContact N-O 3.41Å; W530-F541 PolarHBondContact O-N 3.17Å; V532-F541 HydrophobicContact CB-CE2 4.25Å; V532-F541 HydrophobicContact CG2-CD2 4.12Å; V532-F541 HydrophobicContact CG2-CE2 3.83Å; F541-N543 PolarHBondContact O-N 3.36Å; F541-T547 WeakPolarHBondContact CE1-O 3.36Å; F541-T547 HydrophobicContact CG-CG2 4.44Å; F541-E549 WeakPolarHBondContact CD1-O 3.35Å; F541-C550 HydrophobicContact CD1-CB 4.45Å; F541-C550 HydrophobicContact CE1-CB 3.85Å; F541-C550 HydrophobicContact CZ-CB 4.44Å
542	K	90.1	Very high	89.7	Confident	124 Å²	124	64 Å²	64	54%	0.539	32%	0.324	S	S	.	.	S	Bend	trans	-62.7	-44	179.7	-164	-171.3	-171	175.1	0	111.9	L551	K542-L551 HydrophobicContact CB-CD1 4.02Å
543	N	89.7	Confident	89.5	Confident	59 Å²	59	67.8 Å²	67.8	32%	0.316	34%	0.34	S	S	.	.	S	Bend	trans	-162.4	172.2	179.1	58.9	50.8	0	0	0	109.9	W530 F541 A545 Q546	W530-N543 VanDerWaalsContact CB-C 3.47Å; F541-N543 PolarHBondContact O-N 3.36Å; N543-A545 PolarHBondContact O-N 3Å; N543-A545 PolarHBondContact OD1-N 3Å; N543-Q546 PolarHBondContact O-N 3.19Å; N543-Q546 WeakPolarHBondContact OD1-CG 3.3Å; N543-Q546 PolarHBondContact OD1-N 2.97Å
544	K	89.6	Confident	89.3	Confident	121 Å²	121	68 Å²	68	53%	0.526	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-27.9	-179	-170.1	171.7	-168	158.9	0	114.2	E510 W530	E510-K544 IonicContact OE1-NZ 3.03Å; E510-K544 PolarHBondContact OE1-NZ 3.33Å; W530-K544 HydrophobicContact CD2-CB 3.75Å; W530-K544 HydrophobicContact CD2-CG 4.17Å; W530-K544 HydrophobicContact CE3-CB 3.87Å; W530-K544 HydrophobicContact CE3-CG 4.46Å; W530-K544 HydrophobicContact CG-CB 4.27Å; W530-K544 HydrophobicContact CH2-CB 4.28Å; W530-K544 HydrophobicContact CH2-CD 3.57Å; W530-K544 HydrophobicContact CH2-CG 4.05Å; W530-K544 HydrophobicContact CZ2-CB 4.13Å; W530-K544 HydrophobicContact CZ2-CD 3.56Å; W530-K544 HydrophobicContact CZ2-CG 3.67Å; W530-K544 HydrophobicContact CZ3-CB 4.14Å; W530-K544 HydrophobicContact CZ3-CD 4.15Å; W530-K544 HydrophobicContact CZ3-CG 4.42Å
545	A	86.6	Confident	89.2	Confident	93 Å²	93	67.9 Å²	67.9	77%	0.769	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-18.8	-178.3	0	0	0	0	0	113.3	N543	N543-A545 PolarHBondContact O-N 3Å; N543-A545 PolarHBondContact OD1-N 3Å
546	Q	82.7	Confident	89.2	Confident	89 Å²	89	63 Å²	63	42%	0.416	32%	0.318	S	S	.	.			trans	-112.7	55.4	-174.6	-66.3	-177.2	-6.4	0	0	111.3	N543 K548	N543-Q546 PolarHBondContact O-N 3.19Å; N543-Q546 WeakPolarHBondContact OD1-CG 3.3Å; N543-Q546 PolarHBondContact OD1-N 2.97Å; Q546-K548 VanDerWaalsContact C-N 3.29Å
547	T	81.4	Confident	88.9	Confident	64 Å²	64	65.5 Å²	65.5	39%	0.393	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-1.9	177.6	51.2	0	0	0	0	113.9	F541	F541-T547 WeakPolarHBondContact CE1-O 3.36Å; F541-T547 HydrophobicContact CG-CG2 4.44Å
548	K	81.4	Confident	87.8	Confident	175 Å²	175	62.3 Å²	62.3	76%	0.761	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-27.6	177.6	-64.8	-170.5	178.1	-169.3	0	113.6	Q546	Q546-K548 VanDerWaalsContact C-N 3.29Å
549	E	84.2	Confident	87.3	Confident	141 Å²	141	62.6 Å²	62.6	66%	0.659	32%	0.318	S	S	*	.	S	Bend	trans	-116.1	99	-178.2	-170.8	-175.5	175.6	0	0	108.9	F541 L551	F541-E549 WeakPolarHBondContact CD1-O 3.35Å; E549-L551 PolarHBondContact O-N 3.25Å
550	C	87.8	Confident	86.6	Confident	54 Å²	54	61.6 Å²	61.6	37%	0.365	32%	0.316	S	S	.	.			trans	-69.2	122.9	173.5	-174.9	0	0	0	0	109.4	F541 A552	F541-C550 HydrophobicContact CD1-CB 4.45Å; F541-C550 HydrophobicContact CE1-CB 3.85Å; F541-C550 HydrophobicContact CZ-CB 4.44Å; C550-A552 VanDerWaalsContact SG-C 3.6Å; C550-A552 PolarHBondContact SG-O 3.2Å
551	L	88.7	Confident	86.2	Confident	69 Å²	69	63 Å²	63	36%	0.361	33%	0.325	S	S	.	.	S	Bend	trans	-83.1	-29.7	-178.5	-62.4	178.9	0	0	0	112.8	Y529 L540 K542 E549	Y529-L551 HydrophobicContact CD1-CD1 3.88Å; Y529-L551 HydrophobicContact CE1-CD1 3.64Å; L540-L551 WeakPolarHBondContact O-CB 3.24Å; L540-L551 PolarHBondContact O-N 2.82Å; K542-L551 HydrophobicContact CB-CD1 4.02Å; E549-L551 PolarHBondContact O-N 3.25Å
552	A	89.8	Confident	85.7	Confident	14 Å²	14	63.9 Å²	63.9	12%	0.116	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.3	142.7	175.2	0	0	0	0	0	109.6	L540 C550 Y554	L540-A552 HydrophobicContact CB-CB 4.37Å; L540-A552 HydrophobicContact CD1-CB 4.3Å; L540-A552 PolarHBondContact N-O 3.44Å; C550-A552 VanDerWaalsContact SG-C 3.6Å; C550-A552 PolarHBondContact SG-O 3.2Å; A552-Y554 HydrophobicContact CB-CD2 4.4Å; A552-Y554 HydrophobicContact CB-CE2 3.53Å
553	E	90.6	Very high	85.4	Confident	99 Å²	99	59.8 Å²	59.8	46%	0.463	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	134.6	176.8	175.4	175.2	-177.7	0	0	108.7	R537 L538 Y539	R537-E553 WeakPolarHBondContact CD-OE1 3.25Å; R537-E553 IonicContact NE-OE1 3.64Å; L538-E553 WeakPolarHBondContact O-CA 3.48Å; Y539-E553 HydrophobicContact CD1-CB 4.2Å; Y539-E553 HydrophobicContact CD1-CG 3.98Å; Y539-E553 HydrophobicContact CE1-CB 4.24Å; Y539-E553 HydrophobicContact CE1-CG 3.6Å; Y539-E553 WeakPolarHBondContact CE1-OE1 3.25Å; Y539-E553 PolarHBondContact OH-OE1 2.79Å; Y539-E553 VanDerWaalsContact OH-OE1 3.11Å
554	Y	91.3	Very high	85.2	Confident	7 Å²	7	59.9 Å²	59.9	3%	0.027	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	115.7	-178.3	-62.5	-78.4	0	0	0	109.7	R537 L538 L540 A552 L556 V578 E609 I611	R537-Y554 WeakPolarHBondContact CA-O 3.46Å; L538-Y554 HydrophobicContact CD2-CD2 4.31Å; L538-Y554 HydrophobicContact CG-CD2 4.46Å; L538-Y554 PolarHBondContact N-O 3.34Å; L538-Y554 PolarHBondContact O-N 2.9Å; L540-Y554 HydrophobicContact CD1-CE2 3.8Å; L540-Y554 HydrophobicContact CG-CE2 4.25Å; A552-Y554 HydrophobicContact CB-CD2 4.4Å; A552-Y554 HydrophobicContact CB-CE2 3.53Å; Y554-L556 PolarHBondContact O-N 3.42Å; Y554-V578 HydrophobicContact CD1-CB 4.32Å; Y554-V578 HydrophobicContact CD1-CG1 4.29Å; Y554-V578 HydrophobicContact CD1-CG2 4.32Å; Y554-E609 HydrophobicContact CE1-CG 4.22Å; Y554-E609 WeakPolarHBondContact CE1-OE2 3.31Å; Y554-E609 PolarHBondContact OH-OE1 2.87Å; Y554-I611 HydrophobicContact CD2-CD1 3.9Å; Y554-I611 HydrophobicContact CE2-CD1 3.52Å
555	P	89.6	Confident	85	Confident	36 Å²	36	54.9 Å²	54.9	23%	0.234	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63	126.6	168.6	27.1	-32.5	0	0	0	109.1	V578 V581	P555-V578 HydrophobicContact CG-CG1 4.04Å; P555-V578 WeakPolarHBondContact O-CG1 3.46Å; P555-V581 HydrophobicContact CG-CG2 4.02Å
556	L	89.4	Confident	84.9	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.265	C	S	.	.			trans	-82.9	-23.4	176	-60.2	176	0	0	0	111.4	I533 A536 L538 Y554 D558 C559 L576 G631 S632	I533-L556 HydrophobicContact CD1-CD1 3.99Å; I533-L556 HydrophobicContact CG1-CD1 4.16Å; I533-L556 HydrophobicContact CG2-CD1 3.82Å; A536-L556 WeakPolarHBondContact O-CA 3.3Å; A536-L556 WeakPolarHBondContact O-CB 3.23Å; A536-L556 PolarHBondContact O-N 2.95Å; L538-L556 HydrophobicContact CB-CD1 4.45Å; L538-L556 HydrophobicContact CB-CD2 3.87Å; L538-L556 HydrophobicContact CB-CG 4.2Å; Y554-L556 PolarHBondContact O-N 3.42Å; L556-D558 PolarHBondContact O-N 2.62Å; L556-C559 VanDerWaalsContact O-CB 3.3Å; L556-C559 WeakPolarHBondContact O-CB 3.49Å; L556-C559 PolarHBondContact O-N 3.28Å; L556-C559 PolarHBondContact O-SG 2.75Å; L556-L576 HydrophobicContact CD2-CD1 3.85Å; L556-G631 CarbonylContact C-O 3.59Å; L556-G631 CarbonylContact O-C 3.54Å; L556-S632 WeakPolarHBondContact O-CA 3.29Å; L556-S632 PolarHBondContact O-N 2.9Å
557	R	82.2	Confident	84.8	Confident	64 Å²	64	47.4 Å²	47.4	24%	0.242	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.1	127.8	175.2	-169.6	176.3	175.1	169.3	1	109.6	C559 G631 S785	R557-C559 PolarHBondContact O-N 3.21Å; R557-G631 VanDerWaalsContact CA-O 3.29Å; R557-G631 WeakPolarHBondContact CA-O 3.34Å; R557-G631 PolarHBondContact N-O 3.03Å; R557-S785 PolarHBondContact NH2-OG 3.48Å
558	D	70.8	Confident	84.6	Confident	37 Å²	37	47.8 Å²	47.8	20%	0.198	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.7	10.1	178.9	-41.8	-37.7	0	0	0	115.8	L556 R608 S632 N783	L556-D558 PolarHBondContact O-N 2.62Å; D558-R608 PolarHBondContact O-NH2 3.5Å; D558-S632 PolarHBondContact N-O 3.45Å; D558-N783 PolarHBondContact OD1-ND2 2.87Å; D558-N783 PolarHBondContact OD1-OD1 3.45Å; D558-N783 PolarHBondContact OD2-ND2 3.3Å
559	C	83.9	Confident	84.6	Confident	6 Å²	6	46.7 Å²	46.7	4%	0.041	25%	0.254	C	S	.	.			trans	-67.2	145.7	168.5	82.7	0	0	0	0	109.9	L556 R557 S577 V578 S632	L556-C559 VanDerWaalsContact O-CB 3.3Å; L556-C559 WeakPolarHBondContact O-CB 3.49Å; L556-C559 PolarHBondContact O-N 3.28Å; L556-C559 PolarHBondContact O-SG 2.75Å; R557-C559 PolarHBondContact O-N 3.21Å; C559-S577 CarbonylContact C-O 3.57Å; C559-S577 VanDerWaalsContact CA-O 3.27Å; C559-S577 WeakPolarHBondContact CA-O 3.3Å; C559-V578 HydrophobicContact CB-CG2 4Å; C559-S632 VanDerWaalsContact O-CB 3.23Å; C559-S632 WeakPolarHBondContact O-CB 3.3Å
560	T	79.4	Confident	84.7	Confident	19 Å²	19	47.1 Å²	47.1	12%	0.117	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	124.1	172.6	59.9	0	0	0	0	109.3	L576 S577 I778	T560-L576 WeakPolarHBondContact O-CA 3.28Å; T560-S577 PolarHBondContact N-O 3.31Å; T560-S577 PolarHBondContact O-N 3.26Å; T560-S577 VanDerWaalsContact OG1-CB 3.25Å; T560-S577 WeakPolarHBondContact OG1-CB 3.37Å; T560-I778 HydrophobicContact CG2-CD1 3.39Å
561	V	87.2	Confident	84.8	Confident	33 Å²	33	47.9 Å²	47.9	20%	0.2	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	112.2	-179.8	-171.8	0	0	0	0	108.6	I574 L576 L625 C628 R629	V561-I574 HydrophobicContact CG1-CG2 3.95Å; V561-L576 HydrophobicContact CB-CD2 4.32Å; V561-L576 HydrophobicContact CG1-CD2 4.1Å; V561-L576 HydrophobicContact CG2-CD2 3.87Å; V561-L625 HydrophobicContact CG1-CD1 3.76Å; V561-C628 HydrophobicContact CG1-CB 4.34Å; V561-C628 HydrophobicContact CG2-CB 4.13Å; V561-R629 HydrophobicContact CG1-CG 4.31Å
562	S	82.7	Confident	85.1	Confident	37 Å²	37	45.4 Å²	45.4	26%	0.259	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	160.2	168.2	55.5	0	0	0	0	109.1	K575	S562-K575 PolarHBondContact N-O 3.05Å; S562-K575 PolarHBondContact O-N 2.81Å; S562-K575 VanDerWaalsContact O-O 3.11Å; S562-K575 VanDerWaalsContact OG-CB 3.27Å; S562-K575 WeakPolarHBondContact OG-CB 3.25Å; S562-K575 WeakPolarHBondContact OG-CD 3.14Å; S562-K575 WeakPolarHBondContact OG-CG 3.36Å; S562-K575 PolarHBondContact OG-O 3.22Å
563	F	85.5	Confident	85.3	Confident	38 Å²	38	45.1 Å²	45.1	17%	0.167	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	153.6	-177.1	52.2	-89	0	0	0	110.7	V565 I573 Y621 L625 R629 T726	F563-V565 HydrophobicContact CB-CG2 4.48Å; F563-V565 HydrophobicContact CD2-CG2 4.21Å; F563-I573 CarbonylContact C-O 3.55Å; F563-I573 VanDerWaalsContact CA-O 3.26Å; F563-I573 WeakPolarHBondContact CA-O 3.48Å; F563-I573 WeakPolarHBondContact CB-O 3.49Å; F563-Y621 HydrophobicContact CB-CE2 4.41Å; F563-Y621 VanDerWaalsContact CB-OH 3.24Å; F563-Y621 WeakPolarHBondContact CB-OH 3.29Å; F563-Y621 WeakPolarHBondContact CG-OH 3.14Å; F563-L625 HydrophobicContact CB-CD1 4.49Å; F563-L625 HydrophobicContact CD1-CD1 4.28Å; F563-R629 VanDerWaalsContact CE1-NH2 3.27Å; F563-T726 HydrophobicContact CD1-CG2 3.96Å; F563-T726 HydrophobicContact CE1-CG2 3.55Å; F563-T726 HydrophobicContact CE2-CG2 4.32Å; F563-T726 HydrophobicContact CG-CG2 4.49Å; F563-T726 HydrophobicContact CZ-CG2 3.76Å
564	D	83.7	Confident	85.5	Confident	62 Å²	62	40.4 Å²	40.4	33%	0.332	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	94.7	178.7	179.3	-5.4	0	0	0	106.4	K571 I573	D564-K571 VanDerWaalsContact CG-CE 3.49Å; D564-K571 WeakPolarHBondContact OD1-CE 3.47Å; D564-K571 IonicContact OD1-NZ 2.9Å; D564-K571 PolarHBondContact OD1-NZ 3.3Å; D564-K571 VanDerWaalsContact OD2-CE 3.26Å; D564-K571 WeakPolarHBondContact OD2-CE 3.28Å; D564-K571 IonicContact OD2-NZ 3.74Å; D564-K571 PolarHBondContact OD2-NZ 3.21Å; D564-I573 HydrophobicContact CB-CB 4.34Å; D564-I573 PolarHBondContact N-O 3.37Å; D564-I573 PolarHBondContact O-N 3.03Å; D564-I573 VanDerWaalsContact O-N 3.12Å
565	V	86.3	Confident	85.5	Confident	16 Å²	16	41.8 Å²	41.8	10%	0.097	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	132	-176.3	178.3	0	0	0	0	109.2	F563 V567 K571 Y572 Y621 L654	F563-V565 HydrophobicContact CB-CG2 4.48Å; F563-V565 HydrophobicContact CD2-CG2 4.21Å; V565-V567 HydrophobicContact CG1-CG2 3.99Å; V565-K571 CarbonylContact C-O 3.55Å; V565-K571 VanDerWaalsContact CA-O 3.26Å; V565-K571 WeakPolarHBondContact CA-O 3.36Å; V565-Y572 HydrophobicContact CG1-CD1 4.02Å; V565-Y572 HydrophobicContact CG1-CE1 4.27Å; V565-Y621 HydrophobicContact CG2-CD2 4.5Å; V565-Y621 HydrophobicContact CG2-CE1 3.75Å; V565-Y621 HydrophobicContact CG2-CE2 3.66Å; V565-Y621 WeakPolarHBondContact CG2-OH 3.03Å; V565-L654 HydrophobicContact CG1-CD2 3.66Å
566	S	83.4	Confident	85.6	Confident	17 Å²	17	40 Å²	40	12%	0.119	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	106.3	161.3	-176.3	0	0	0	0	107.7	A568 H569 Q570 K571	S566-A568 VanDerWaalsContact C-N 3.3Å; S566-A568 PolarHBondContact O-N 3.45Å; S566-H569 CarbonylContact O-C 3.51Å; S566-H569 PolarHBondContact O-N 3.29Å; S566-H569 PolarHBondContact OG-ND1 3.25Å; S566-Q570 PolarHBondContact O-N 2.89Å; S566-Q570 VanDerWaalsContact O-N 3.16Å; S566-K571 PolarHBondContact N-O 3.35Å; S566-K571 PolarHBondContact O-N 3.12Å
567	V	81.7	Confident	85.4	Confident	8 Å²	8	40.5 Å²	40.5	5%	0.048	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-63.6	-41.1	-177.9	-174.8	0	0	0	0	110.3	V565 H569 Q570 Y572 L654 Q657 M658	V565-V567 HydrophobicContact CG1-CG2 3.99Å; V567-H569 PolarHBondContact O-N 3.12Å; V567-Q570 PolarHBondContact O-N 3.21Å; V567-Y572 HydrophobicContact CG2-CE1 4.39Å; V567-L654 HydrophobicContact CG2-CD2 4Å; V567-Q657 HydrophobicContact CB-CB 4.45Å; V567-Q657 HydrophobicContact CG2-CB 3.83Å; V567-M658 HydrophobicContact CB-SD 4.41Å; V567-M658 HydrophobicContact CG1-CG 3.78Å; V567-M658 HydrophobicContact CG1-SD 3.03Å; V567-M658 WeakPolarHBondContact CG1-SD 3.43Å
568	A	77.1	Confident	85.5	Confident	72 Å²	72	37.6 Å²	37.6	60%	0.595	20%	0.201	S	C	*	.	G	3₁₀ helix	trans	-58.5	-30.8	176.2	0	0	0	0	0	113.8	S566	S566-A568 VanDerWaalsContact C-N 3.3Å; S566-A568 PolarHBondContact O-N 3.45Å
569	H	82	Confident	85.5	Confident	151 Å²	151	37.7 Å²	37.7	70%	0.699	20%	0.204	S	C	*	.	G	3₁₀ helix	trans	-102.9	12	178.6	-58	100.1	0	0	0	113.4	S566 V567 K571	S566-H569 CarbonylContact O-C 3.51Å; S566-H569 PolarHBondContact O-N 3.29Å; S566-H569 PolarHBondContact OG-ND1 3.25Å; V567-H569 PolarHBondContact O-N 3.12Å; H569-K571 HydrophobicContact CB-CB 4.47Å; H569-K571 PolarHBondContact O-N 2.85Å; H569-K571 VanDerWaalsContact O-N 3.12Å
570	Q	84.6	Confident	84.5	Confident	151 Å²	151	39.4 Å²	39.4	71%	0.706	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.5	39.4	-173.6	-64	-175.6	-13.4	0	0	113	S566 V567 Y572	S566-Q570 PolarHBondContact O-N 2.89Å; S566-Q570 VanDerWaalsContact O-N 3.16Å; V567-Q570 PolarHBondContact O-N 3.21Å; Q570-Y572 HydrophobicContact CB-CE2 4.37Å
571	K	91.1	Very high	83.3	Confident	69 Å²	69	43.2 Å²	43.2	30%	0.3	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	111.8	-178.6	-173.6	-175.3	177.4	-162.2	0	108.4	D564 V565 S566 H569 I573	D564-K571 VanDerWaalsContact CG-CE 3.49Å; D564-K571 WeakPolarHBondContact OD1-CE 3.47Å; D564-K571 IonicContact OD1-NZ 2.9Å; D564-K571 PolarHBondContact OD1-NZ 3.3Å; D564-K571 VanDerWaalsContact OD2-CE 3.26Å; D564-K571 WeakPolarHBondContact OD2-CE 3.28Å; D564-K571 IonicContact OD2-NZ 3.74Å; D564-K571 PolarHBondContact OD2-NZ 3.21Å; V565-K571 CarbonylContact C-O 3.55Å; V565-K571 VanDerWaalsContact CA-O 3.26Å; V565-K571 WeakPolarHBondContact CA-O 3.36Å; S566-K571 PolarHBondContact N-O 3.35Å; S566-K571 PolarHBondContact O-N 3.12Å; H569-K571 HydrophobicContact CB-CB 4.47Å; H569-K571 PolarHBondContact O-N 2.85Å; H569-K571 VanDerWaalsContact O-N 3.12Å; K571-I573 HydrophobicContact CD-CD1 4.36Å; K571-I573 HydrophobicContact CG-CD1 3.87Å; K571-I573 HydrophobicContact CG-CG1 4.07Å
572	Y	94.1	Very high	81.2	Confident	17 Å²	17	48.7 Å²	48.7	7%	0.067	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	102.1	178.1	-54.4	-78.1	0	0	0	109.2	V565 V567 Q570 K614 F615 A618 Y621 L654	V565-Y572 HydrophobicContact CG1-CD1 4.02Å; V565-Y572 HydrophobicContact CG1-CE1 4.27Å; V567-Y572 HydrophobicContact CG2-CE1 4.39Å; Q570-Y572 HydrophobicContact CB-CE2 4.37Å; Y572-K614 WeakPolarHBondContact O-CA 3.5Å; Y572-F615 PolarHBondContact O-N 3.02Å; Y572-A618 HydrophobicContact CE1-CB 3.94Å; Y572-Y621 HydrophobicContact CD1-CD1 4.27Å; Y572-Y621 HydrophobicContact CD1-CG 4.15Å; Y572-Y621 HydrophobicContact CG-CG 4.37Å; Y572-L654 HydrophobicContact CE1-CD2 4.37Å
573	I	94.1	Very high	78.9	Confident	9 Å²	9	53.5 Å²	53.5	5%	0.046	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	133.5	-173.9	-54.3	-179.6	0	0	0	110.2	F563 D564 K571 W612 L613 K614	F563-I573 CarbonylContact C-O 3.55Å; F563-I573 VanDerWaalsContact CA-O 3.26Å; F563-I573 WeakPolarHBondContact CA-O 3.48Å; F563-I573 WeakPolarHBondContact CB-O 3.49Å; D564-I573 HydrophobicContact CB-CB 4.34Å; D564-I573 PolarHBondContact N-O 3.37Å; D564-I573 PolarHBondContact O-N 3.03Å; D564-I573 VanDerWaalsContact O-N 3.12Å; K571-I573 HydrophobicContact CD-CD1 4.36Å; K571-I573 HydrophobicContact CG-CD1 3.87Å; K571-I573 HydrophobicContact CG-CG1 4.07Å; I573-W612 HydrophobicContact CG2-CE3 3.62Å; I573-W612 HydrophobicContact CG2-CZ3 4.24Å; I573-L613 CarbonylContact C-O 3.55Å; I573-L613 VanDerWaalsContact CA-O 3.26Å; I573-L613 WeakPolarHBondContact CA-O 3.48Å; I573-K614 HydrophobicContact CG1-CB 4.21Å; I573-K614 HydrophobicContact CG1-CG 4.14Å
574	I	94.6	Very high	76.2	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	130.3	169.8	-59.4	170.9	0	0	0	107.4	V561 L576 W612 L613 F615 Y621 W624 L625	V561-I574 HydrophobicContact CG1-CG2 3.95Å; I574-L576 HydrophobicContact CG2-CD2 3.58Å; I574-L576 HydrophobicContact CG2-CG 4.07Å; I574-W612 CarbonylContact O-C 3.49Å; I574-W612 WeakPolarHBondContact O-CA 3.27Å; I574-L613 HydrophobicContact CB-CB 4.3Å; I574-L613 PolarHBondContact N-O 3.12Å; I574-L613 PolarHBondContact O-N 3.17Å; I574-F615 HydrophobicContact CB-CE2 4.14Å; I574-F615 HydrophobicContact CD1-CD2 4.48Å; I574-F615 HydrophobicContact CD1-CE2 3.46Å; I574-F615 VanDerWaalsContact CD1-CE2 3.46Å; I574-F615 HydrophobicContact CD1-CZ 3.75Å; I574-F615 HydrophobicContact CG1-CE2 3.66Å; I574-F615 HydrophobicContact CG1-CZ 4.39Å; I574-Y621 HydrophobicContact CD1-CD2 4.22Å; I574-Y621 HydrophobicContact CD1-CE2 4.16Å; I574-Y621 HydrophobicContact CG1-CD2 3.9Å; I574-Y621 HydrophobicContact CG1-CE2 3.51Å; I574-W624 HydrophobicContact CD1-CB 4.19Å; I574-L625 HydrophobicContact CD1-CB 3.83Å; I574-L625 HydrophobicContact CD1-CD1 4.07Å; I574-L625 HydrophobicContact CG1-CD1 4.06Å
575	K	92.1	Very high	73.4	Confident	35 Å²	35	66.2 Å²	66.2	15%	0.152	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	115.6	169.4	172.1	-168.7	-174.6	175.1	0	107.8	S562 E610 I611 W612	S562-K575 PolarHBondContact N-O 3.05Å; S562-K575 PolarHBondContact O-N 2.81Å; S562-K575 VanDerWaalsContact O-O 3.11Å; S562-K575 VanDerWaalsContact OG-CB 3.27Å; S562-K575 WeakPolarHBondContact OG-CB 3.25Å; S562-K575 WeakPolarHBondContact OG-CD 3.14Å; S562-K575 WeakPolarHBondContact OG-CG 3.36Å; S562-K575 PolarHBondContact OG-O 3.22Å; K575-E610 WeakPolarHBondContact CE-OE1 3.45Å; K575-E610 WeakPolarHBondContact CE-OE2 3.48Å; K575-E610 IonicContact NZ-OE1 2.85Å; K575-E610 PolarHBondContact NZ-OE1 3.4Å; K575-E610 IonicContact NZ-OE2 2.65Å; K575-E610 PolarHBondContact NZ-OE2 3.24Å; K575-I611 WeakPolarHBondContact CA-O 3.37Å; K575-W612 HydrophobicContact CB-CD2 3.96Å; K575-W612 HydrophobicContact CB-CE3 3.82Å; K575-W612 HydrophobicContact CB-CH2 4.2Å; K575-W612 HydrophobicContact CB-CZ2 4.33Å; K575-W612 HydrophobicContact CB-CZ3 3.94Å; K575-W612 HydrophobicContact CD-CH2 3.74Å; K575-W612 HydrophobicContact CD-CZ2 3.46Å; K575-W612 VanDerWaalsContact CD-CZ2 3.46Å; K575-W612 HydrophobicContact CD-CZ3 4.36Å; K575-W612 HydrophobicContact CG-CD2 4.08Å; K575-W612 HydrophobicContact CG-CE3 4.37Å; K575-W612 HydrophobicContact CG-CH2 4.26Å; K575-W612 HydrophobicContact CG-CZ2 3.95Å; K575-W612 HydrophobicContact CG-CZ3 4.46Å
576	L	91.4	Very high	70.6	Confident	0 Å²	0	71.7 Å²	71.7	0%	0	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	132.4	170.5	-46	172.4	0	0	0	108.5	L538 L556 T560 V561 I574 V578 I611 L613 C628	L538-L576 HydrophobicContact CD2-CD1 4.08Å; L556-L576 HydrophobicContact CD2-CD1 3.85Å; T560-L576 WeakPolarHBondContact O-CA 3.28Å; V561-L576 HydrophobicContact CB-CD2 4.32Å; V561-L576 HydrophobicContact CG1-CD2 4.1Å; V561-L576 HydrophobicContact CG2-CD2 3.87Å; I574-L576 HydrophobicContact CG2-CD2 3.58Å; I574-L576 HydrophobicContact CG2-CG 4.07Å; L576-V578 HydrophobicContact CB-CG2 4.02Å; L576-I611 HydrophobicContact CB-CG2 3.6Å; L576-I611 HydrophobicContact CD1-CG2 4.06Å; L576-I611 HydrophobicContact CG-CG2 4.18Å; L576-I611 PolarHBondContact N-O 3.35Å; L576-I611 PolarHBondContact O-N 3.18Å; L576-L613 HydrophobicContact CD1-CD1 3.89Å; L576-L613 HydrophobicContact CG-CD1 4.45Å; L576-C628 HydrophobicContact CD2-CB 3.9Å
577	S	84.8	Confident	68.4	Low	10 Å²	10	76 Å²	76	7%	0.07	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	110.1	163.9	-173.7	0	0	0	0	107.6	C559 T560 R608	C559-S577 CarbonylContact C-O 3.57Å; C559-S577 VanDerWaalsContact CA-O 3.27Å; C559-S577 WeakPolarHBondContact CA-O 3.3Å; T560-S577 PolarHBondContact N-O 3.31Å; T560-S577 PolarHBondContact O-N 3.26Å; T560-S577 VanDerWaalsContact OG1-CB 3.25Å; T560-S577 WeakPolarHBondContact OG1-CB 3.37Å; S577-R608 PolarHBondContact O-NH1 3.37Å; S577-R608 WeakPolarHBondContact OG-CB 3.47Å; S577-R608 WeakPolarHBondContact OG-CD 3.47Å
578	V	84.9	Confident	65.8	Low	2 Å²	2	82.6 Å²	82.6	1%	0.012	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	138.8	-171.3	-176.6	0	0	0	0	108.9	Y554 P555 C559 L576 S580 R608 E609 I611	Y554-V578 HydrophobicContact CD1-CB 4.32Å; Y554-V578 HydrophobicContact CD1-CG1 4.29Å; Y554-V578 HydrophobicContact CD1-CG2 4.32Å; P555-V578 HydrophobicContact CG-CG1 4.04Å; P555-V578 WeakPolarHBondContact O-CG1 3.46Å; C559-V578 HydrophobicContact CB-CG2 4Å; L576-V578 HydrophobicContact CB-CG2 4.02Å; V578-S580 PolarHBondContact O-N 3.5Å; V578-R608 CarbonylContact O-C 3.58Å; V578-R608 WeakPolarHBondContact O-CA 2.92Å; V578-R608 WeakPolarHBondContact O-CB 3.4Å; V578-E609 PolarHBondContact N-O 3.14Å; V578-E609 PolarHBondContact O-N 2.84Å; V578-I611 HydrophobicContact CG2-CG2 4.2Å
579	P	71	Confident	63.5	Low	39 Å²	39	83.3 Å²	83.3	25%	0.253	46%	0.458	S	S	.	.			trans	-54	125.5	168.2	-22.1	33	0	0	0	110.4	V581	P579-V581 PolarHBondContact O-N 2.72Å
580	S	63.8	Low	60.8	Low	42 Å²	42	80.8 Å²	80.8	29%	0.294	46%	0.457	S	S	.	.			trans	-68.6	121.2	175.8	167.7	0	0	0	0	109.7	V578 T607	V578-S580 PolarHBondContact O-N 3.5Å; S580-T607 WeakPolarHBondContact CB-O 3.5Å
581	V	53.5	Low	58.1	Low	100 Å²	100	79.5 Å²	79.5	61%	0.606	46%	0.462	S	S	*	.			trans	-82.4	109.9	163.7	-176.3	0	0	0	0	105.3	P555 P579 D583	P555-V581 HydrophobicContact CG-CG2 4.02Å; P579-V581 PolarHBondContact O-N 2.72Å; V581-D583 PolarHBondContact O-N 2.9Å
582	L	43.1	Very low	55.2	Low	147 Å²	147	83.3 Å²	83.3	77%	0.77	49%	0.485	S	S	*	.			trans	-60.2	109.8	172.8	-173.8	71.8	0	0	0	107.8	Q584	L582-Q584 PolarHBondContact O-N 2.86Å
583	D	33.8	Very low	52	Low	139 Å²	139	90.3 Å²	90.3	74%	0.743	52%	0.522	S	S	*	.			trans	-54.3	96.5	176.5	-87.7	-36.2	0	0	0	110.1	V581 K585	V581-D583 PolarHBondContact O-N 2.9Å; D583-K585 PolarHBondContact O-N 2.75Å
584	Q	29.4	Very low	48.9	Very low	187 Å²	187	99.4 Å²	99.4	87%	0.874	56%	0.561	S	S	*	*			trans	-74.5	62.6	166.3	-69.7	-171.4	20	0	0	109.8	L582	L582-Q584 PolarHBondContact O-N 2.86Å
585	K	25	Very low	45.6	Very low	179 Å²	179	104.2 Å²	104.2	78%	0.778	60%	0.595	S	S	*	*			trans	-140.7	75.4	168.7	-74.1	-175.4	-178.4	168.5	0	109.9	D583	D583-K585 PolarHBondContact O-N 2.75Å
586	T	27.9	Very low	43	Very low	131 Å²	131	107.2 Å²	107.2	80%	0.804	63%	0.626	S	S	*	*			trans	-76	122.4	153.6	51.1	0	0	0	0	107.9	N588	T586-N588 VanDerWaalsContact C-N 3.29Å; T586-N588 PolarHBondContact O-N 3.36Å
587	S	35.7	Very low	39.9	Very low	109 Å²	109	114.4 Å²	114.4	76%	0.762	67%	0.665	S	S	*	*	S	Bend	trans	-57.5	90.8	169	53.5	0	0	0	0	109.7
588	N	27.7	Very low	37.4	Very low	145 Å²	145	118.6 Å²	118.6	78%	0.775	69%	0.694	S	S	*	*	S	Bend	trans	164.9	106.4	149	-80.6	-12.5	0	0	0	106.5	T586 S590	T586-N588 VanDerWaalsContact C-N 3.29Å; T586-N588 PolarHBondContact O-N 3.36Å; N588-S590 VanDerWaalsContact C-N 3.34Å; N588-S590 PolarHBondContact O-N 2.91Å
589	G	28.7	Very low	34.9	Very low	87 Å²	87	124.3 Å²	124.3	90%	0.897	73%	0.734	S	S	*	*			trans	-65.4	82.7	-172.8	0	0	0	0	0	113.7
590	S	26.4	Very low	32.7	Very low	98 Å²	98	127.7 Å²	127.7	69%	0.685	75%	0.754	S	S	*	*			trans	-137.6	120.4	162.2	-71.6	0	0	0	0	109.5	N588 L592	N588-S590 VanDerWaalsContact C-N 3.34Å; N588-S590 PolarHBondContact O-N 2.91Å; S590-L592 PolarHBondContact O-N 2.8Å
591	P	27.6	Very low	31	Very low	125 Å²	125	130.7 Å²	130.7	81%	0.812	77%	0.773	S	S	*	*			trans	-68.8	120.8	174.6	27.3	-30.3	0	0	0	108.8	I593	P591-I593 PolarHBondContact O-N 3.36Å; P591-I593 VanDerWaalsContact O-N 3.12Å
592	L	29.3	Very low	29.8	Very low	149 Å²	149	135.2 Å²	135.2	78%	0.78	78%	0.784	S	S	*	*			trans	-70.7	107.4	174.8	-72.6	173.4	0	0	0	109.3	S590 F594	S590-L592 PolarHBondContact O-N 2.8Å; L592-F594 PolarHBondContact O-N 2.91Å
593	I	26.6	Very low	29.1	Very low	164 Å²	164	137 Å²	137	84%	0.841	79%	0.788	S	S	*	*			trans	-59.6	114	160.7	-65.6	165.4	0	0	0	106.9	P591 S595	P591-I593 PolarHBondContact O-N 3.36Å; P591-I593 VanDerWaalsContact O-N 3.12Å; I593-S595 PolarHBondContact O-N 3.15Å; I593-S595 VanDerWaalsContact O-N 3.07Å
594	F	30.4	Very low	29.1	Very low	199 Å²	199	137.4 Å²	137.4	87%	0.873	79%	0.79	S	S	*	*			trans	-65.9	106.1	178	-80.9	-91.4	0	0	0	110.1	L592	L592-F594 PolarHBondContact O-N 2.91Å
595	S	24.8	Very low	29.5	Very low	101 Å²	101	130.9 Å²	130.9	71%	0.706	77%	0.765	S	S	*	*			trans	-78.5	121.8	162.9	-173.4	0	0	0	0	108.7	I593 N597	I593-S595 PolarHBondContact O-N 3.15Å; I593-S595 VanDerWaalsContact O-N 3.07Å; S595-N597 PolarHBondContact O-N 2.98Å
596	A	36.4	Very low	30.6	Very low	99 Å²	99	124.6 Å²	124.6	82%	0.818	74%	0.743	S	S	*	*	S	Bend	trans	-69	12.7	-168.5	0	0	0	0	0	116.2
597	N	28.2	Very low	32.1	Very low	151 Å²	151	122.7 Å²	122.7	81%	0.807	73%	0.731	S	S	*	*			trans	-128.3	72.4	-174.1	-71.4	-18.2	0	0	0	112	S595	S595-N597 PolarHBondContact O-N 2.98Å
598	S	31.3	Very low	33.5	Very low	98 Å²	98	119.3 Å²	119.3	69%	0.685	70%	0.702	S	S	*	*			trans	-149.6	121.3	151.8	66.5	0	0	0	0	109.8	T600	S598-T600 PolarHBondContact O-N 3.4Å
599	S	31.8	Very low	36.2	Very low	122 Å²	122	114.6 Å²	114.6	85%	0.853	68%	0.675	S	S	*	*			trans	-80.5	36.9	-167.8	45.6	0	0	0	0	114.2
600	T	25.5	Very low	38.9	Very low	110 Å²	110	112.8 Å²	112.8	68%	0.675	64%	0.643	S	S	*	*			trans	-128.1	90.2	172.9	54.7	0	0	0	0	110.2	S598 K602	S598-T600 PolarHBondContact O-N 3.4Å; T600-K602 PolarHBondContact O-N 2.85Å
601	P	27.8	Very low	42	Very low	105 Å²	105	108.1 Å²	108.1	68%	0.682	61%	0.611	S	S	*	*			trans	-66	117.2	176.3	-12.8	27.7	0	0	0	109.1	E603	P601-E603 PolarHBondContact O-N 2.88Å
602	K	27.8	Very low	45.2	Very low	194 Å²	194	103.6 Å²	103.6	84%	0.843	58%	0.578	S	S	*	*			trans	-59.5	127.6	174.7	-78.7	176	174.1	175.6	0	109.7	T600 L604	T600-K602 PolarHBondContact O-N 2.85Å; K602-L604 PolarHBondContact O-N 2.95Å; K602-L604 VanDerWaalsContact O-N 3.11Å
603	E	28.7	Very low	48.3	Very low	184 Å²	184	96.5 Å²	96.5	86%	0.86	54%	0.54	S	S	*	.			trans	-47.2	108.6	176.5	-67.5	173.2	141.1	0	0	112	P601 C605	P601-E603 PolarHBondContact O-N 2.88Å; E603-C605 HydrophobicContact CB-CB 4.35Å; E603-C605 PolarHBondContact O-N 3.42Å
604	L	34	Very low	51.6	Low	148 Å²	148	92 Å²	92	78%	0.775	52%	0.515	S	S	*	.			trans	-79.1	58.7	164.3	-145.6	85.5	0	0	0	108.8	K602	K602-L604 PolarHBondContact O-N 2.95Å; K602-L604 VanDerWaalsContact O-N 3.11Å
605	C	38.8	Very low	54.8	Low	51 Å²	51	82.6 Å²	82.6	35%	0.345	47%	0.473	S	S	.	.			trans	-92.7	112.3	176.6	-170.3	0	0	0	0	108.4	E603 T607	E603-C605 HydrophobicContact CB-CB 4.35Å; E603-C605 PolarHBondContact O-N 3.42Å; C605-T607 HydrophobicContact CB-CG2 4.24Å; C605-T607 PolarHBondContact O-N 3.39Å; C605-T607 VanDerWaalsContact SG-CG2 3.54Å
606	S	47.9	Very low	58	Low	46 Å²	46	82.6 Å²	82.6	32%	0.322	47%	0.465	S	S	.	.			trans	-72	76.5	164.2	70.6	0	0	0	0	108.4	R608 L780	S606-R608 PolarHBondContact O-N 3.35Å; S606-L780 WeakPolarHBondContact OG-CD1 3.28Å
607	T	58.8	Low	60.7	Low	91 Å²	91	79.9 Å²	79.9	56%	0.558	44%	0.441	S	S	*	.			trans	-64.6	97.1	171.8	44.7	0	0	0	0	108.1	S580 C605 E609	S580-T607 WeakPolarHBondContact CB-O 3.5Å; C605-T607 HydrophobicContact CB-CG2 4.24Å; C605-T607 PolarHBondContact O-N 3.39Å; C605-T607 VanDerWaalsContact SG-CG2 3.54Å; T607-E609 PolarHBondContact O-N 3.37Å
608	R	65.5	Low	63.8	Low	38 Å²	38	73.5 Å²	73.5	14%	0.143	41%	0.409	C	S	.	.	P	Polyproline II helix	trans	-56.6	133.9	179.9	-72.2	-168.2	159.8	-149.1	-10	110.8	D558 S577 V578 S606 T781	D558-R608 PolarHBondContact O-NH2 3.5Å; S577-R608 PolarHBondContact O-NH1 3.37Å; S577-R608 WeakPolarHBondContact OG-CB 3.47Å; S577-R608 WeakPolarHBondContact OG-CD 3.47Å; V578-R608 CarbonylContact O-C 3.58Å; V578-R608 WeakPolarHBondContact O-CA 2.92Å; V578-R608 WeakPolarHBondContact O-CB 3.4Å; S606-R608 PolarHBondContact O-N 3.35Å; R608-T781 VanDerWaalsContact NH2-CB 3.32Å; R608-T781 PolarHBondContact NH2-OG1 3.01Å
609	E	83.4	Confident	66.7	Low	46 Å²	46	74.1 Å²	74.1	22%	0.215	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	131.3	173.4	-171.5	173.5	163.3	0	0	109	Y554 V578 T607	Y554-E609 HydrophobicContact CE1-CG 4.22Å; Y554-E609 WeakPolarHBondContact CE1-OE2 3.31Å; Y554-E609 PolarHBondContact OH-OE1 2.87Å; V578-E609 PolarHBondContact N-O 3.14Å; V578-E609 PolarHBondContact O-N 2.84Å; T607-E609 PolarHBondContact O-N 3.37Å
610	E	86.5	Confident	69.8	Low	50 Å²	50	70.5 Å²	70.5	23%	0.234	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	124.2	172.8	-63.1	-163.2	160.5	0	0	111.1	K575	K575-E610 WeakPolarHBondContact CE-OE1 3.45Å; K575-E610 WeakPolarHBondContact CE-OE2 3.48Å; K575-E610 IonicContact NZ-OE1 2.85Å; K575-E610 PolarHBondContact NZ-OE1 3.4Å; K575-E610 IonicContact NZ-OE2 2.65Å; K575-E610 PolarHBondContact NZ-OE2 3.24Å
611	I	91.6	Very high	73.1	Confident	0 Å²	0	65.5 Å²	65.5	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	132.2	174.7	-177	172.4	0	0	0	110.1	V515 L538 L540 Y554 K575 L576 V578 L613	V515-I611 HydrophobicContact CG1-CD1 3.55Å; V515-I611 HydrophobicContact CG1-CG1 3.53Å; L538-I611 HydrophobicContact CD2-CD1 4.1Å; L540-I611 HydrophobicContact CD1-CD1 3.88Å; Y554-I611 HydrophobicContact CD2-CD1 3.9Å; Y554-I611 HydrophobicContact CE2-CD1 3.52Å; K575-I611 WeakPolarHBondContact CA-O 3.37Å; L576-I611 HydrophobicContact CB-CG2 3.6Å; L576-I611 HydrophobicContact CD1-CG2 4.06Å; L576-I611 HydrophobicContact CG-CG2 4.18Å; L576-I611 PolarHBondContact N-O 3.35Å; L576-I611 PolarHBondContact O-N 3.18Å; V578-I611 HydrophobicContact CG2-CG2 4.2Å; I611-L613 HydrophobicContact CD1-CD2 3.83Å; I611-L613 HydrophobicContact CG1-CD2 3.81Å
612	W	93.5	Very high	76.3	Confident	30 Å²	30	60.5 Å²	60.5	11%	0.114	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	118.5	-179.3	-65.3	73.9	0	0	0	109.4	V515 F516 Y526 I573 I574 K575	V515-W612 CarbonylContact C-O 3.54Å; V515-W612 VanDerWaalsContact CA-O 3.31Å; V515-W612 WeakPolarHBondContact CA-O 3.47Å; F516-W612 HydrophobicContact CB-CB 4.12Å; F516-W612 HydrophobicContact CD1-CB 4.15Å; F516-W612 AromaticContact CD1-CD1 3.62Å; F516-W612 AromaticContact CD1-CG 3.97Å; F516-W612 HydrophobicContact CD1-CG 3.97Å; F516-W612 PolarHBondContact N-O 3.4Å; F516-W612 PolarHBondContact O-N 2.86Å; Y526-W612 HydrophobicContact CE1-CB 4Å; I573-W612 HydrophobicContact CG2-CE3 3.62Å; I573-W612 HydrophobicContact CG2-CZ3 4.24Å; I574-W612 CarbonylContact O-C 3.49Å; I574-W612 WeakPolarHBondContact O-CA 3.27Å; K575-W612 HydrophobicContact CB-CD2 3.96Å; K575-W612 HydrophobicContact CB-CE3 3.82Å; K575-W612 HydrophobicContact CB-CH2 4.2Å; K575-W612 HydrophobicContact CB-CZ2 4.33Å; K575-W612 HydrophobicContact CB-CZ3 3.94Å; K575-W612 HydrophobicContact CD-CH2 3.74Å; K575-W612 HydrophobicContact CD-CZ2 3.46Å; K575-W612 VanDerWaalsContact CD-CZ2 3.46Å; K575-W612 HydrophobicContact CD-CZ3 4.36Å; K575-W612 HydrophobicContact CG-CD2 4.08Å; K575-W612 HydrophobicContact CG-CE3 4.37Å; K575-W612 HydrophobicContact CG-CH2 4.26Å; K575-W612 HydrophobicContact CG-CZ2 3.95Å; K575-W612 HydrophobicContact CG-CZ3 4.46Å
613	L	95.9	Very high	79.6	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	122.1	178.6	-45.8	-179	0	0	0	108.8	I513 V515 L538 I573 I574 L576 I611 F615	I513-L613 HydrophobicContact CD1-CB 4.44Å; I513-L613 HydrophobicContact CD1-CD1 4.41Å; I513-L613 HydrophobicContact CD1-CD2 3.96Å; V515-L613 HydrophobicContact CG1-CD2 4.17Å; V515-L613 HydrophobicContact CG2-CD2 3.93Å; L538-L613 HydrophobicContact CD2-CD1 4.23Å; L538-L613 HydrophobicContact CD2-CD2 4.23Å; I573-L613 CarbonylContact C-O 3.55Å; I573-L613 VanDerWaalsContact CA-O 3.26Å; I573-L613 WeakPolarHBondContact CA-O 3.48Å; I574-L613 HydrophobicContact CB-CB 4.3Å; I574-L613 PolarHBondContact N-O 3.12Å; I574-L613 PolarHBondContact O-N 3.17Å; L576-L613 HydrophobicContact CD1-CD1 3.89Å; L576-L613 HydrophobicContact CG-CD1 4.45Å; I611-L613 HydrophobicContact CD1-CD2 3.83Å; I611-L613 HydrophobicContact CG1-CD2 3.81Å; L613-F615 HydrophobicContact CB-CE2 3.72Å; L613-F615 HydrophobicContact CB-CZ 3.55Å; L613-F615 HydrophobicContact CD1-CZ 4.24Å; L613-F615 WeakPolarHBondContact O-CE2 3.08Å
614	K	95.8	Very high	82.8	Confident	69 Å²	69	44.4 Å²	44.4	30%	0.3	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	136.1	177.9	177.2	177.3	-179.6	-179.2	0	110.1	K514 Y526 Y572 I573	K514-K614 HydrophobicContact CB-CB 3.99Å; K514-K614 PolarHBondContact N-O 3Å; K514-K614 VanDerWaalsContact N-O 3.12Å; K514-K614 PolarHBondContact O-N 3.38Å; Y526-K614 HydrophobicContact CD1-CB 3.85Å; Y526-K614 HydrophobicContact CE1-CB 3.77Å; Y572-K614 WeakPolarHBondContact O-CA 3.5Å; I573-K614 HydrophobicContact CG1-CB 4.21Å; I573-K614 HydrophobicContact CG1-CG 4.14Å
615	F	96.2	Very high	85.7	Confident	1 Å²	1	37.5 Å²	37.5	0%	0.004	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	155.1	-175.4	-52.2	-83.9	0	0	0	110.7	I513 Y572 I574 L613 Q620 Y621 W624	I513-F615 HydrophobicContact CB-CE1 4.3Å; I513-F615 HydrophobicContact CG2-CD1 3.98Å; I513-F615 HydrophobicContact CG2-CE1 3.74Å; Y572-F615 PolarHBondContact O-N 3.02Å; I574-F615 HydrophobicContact CB-CE2 4.14Å; I574-F615 HydrophobicContact CD1-CD2 4.48Å; I574-F615 HydrophobicContact CD1-CE2 3.46Å; I574-F615 VanDerWaalsContact CD1-CE2 3.46Å; I574-F615 HydrophobicContact CD1-CZ 3.75Å; I574-F615 HydrophobicContact CG1-CE2 3.66Å; I574-F615 HydrophobicContact CG1-CZ 4.39Å; L613-F615 HydrophobicContact CB-CE2 3.72Å; L613-F615 HydrophobicContact CB-CZ 3.55Å; L613-F615 HydrophobicContact CD1-CZ 4.24Å; L613-F615 WeakPolarHBondContact O-CE2 3.08Å; F615-Q620 HydrophobicContact CB-CB 4.46Å; F615-Q620 HydrophobicContact CD1-CG 3.84Å; F615-Y621 AromaticContact CD2-CD2 3.76Å; F615-Y621 HydrophobicContact CD2-CD2 3.76Å; F615-Y621 HydrophobicContact CD2-CG 4.42Å; F615-Y621 HydrophobicContact CE2-CD2 4.17Å; F615-W624 HydrophobicContact CD1-CB 4.29Å; F615-W624 HydrophobicContact CD1-CG 4.1Å; F615-W624 HydrophobicContact CE1-CB 3.4Å; F615-W624 VanDerWaalsContact CE1-CB 3.4Å; F615-W624 AromaticContact CE1-CD1 3.71Å; F615-W624 AromaticContact CE1-CD2 3.66Å; F615-W624 HydrophobicContact CE1-CD2 3.66Å; F615-W624 HydrophobicContact CE1-CE3 4.25Å; F615-W624 AromaticContact CE1-CG 3.25Å; F615-W624 HydrophobicContact CE1-CG 3.25Å; F615-W624 HydrophobicContact CE2-CB 4.37Å; F615-W624 HydrophobicContact CZ-CB 3.44Å; F615-W624 VanDerWaalsContact CZ-CB 3.44Å; F615-W624 HydrophobicContact CZ-CD2 4.22Å; F615-W624 HydrophobicContact CZ-CE3 4.47Å; F615-W624 AromaticContact CZ-CG 3.81Å; F615-W624 HydrophobicContact CZ-CG 3.81Å
616	D	93.1	Very high	88.3	Confident	101 Å²	101	35 Å²	35	54%	0.54	19%	0.185	S	C	.	.	S	Bend	trans	-98.4	-15.8	-176.5	-67.6	-30.8	0	0	0	112.6	K514	K514-D616 VanDerWaalsContact NZ-CG 3.35Å; K514-D616 IonicContact NZ-OD1 2.68Å; K514-D616 PolarHBondContact NZ-OD1 3.12Å; K514-D616 IonicContact NZ-OD2 2.68Å; K514-D616 PolarHBondContact NZ-OD2 3.23Å
617	S	93.1	Very high	90.6	Very high	43 Å²	43	33 Å²	33	30%	0.301	17%	0.171	S	C	.	.	S	Bend	trans	-136.6	158.5	176.9	98.9	0	0	0	0	112.6	E619 Q620 Y621	S617-E619 VanDerWaalsContact C-N 3.35Å; S617-E619 VanDerWaalsContact CB-OE2 3.26Å; S617-E619 WeakPolarHBondContact CB-OE2 3.42Å; S617-E619 PolarHBondContact OG-N 2.87Å; S617-E619 PolarHBondContact OG-OE2 3.01Å; S617-Q620 PolarHBondContact OG-N 2.97Å; S617-Q620 VanDerWaalsContact OG-N 3.14Å; S617-Y621 WeakPolarHBondContact O-CB 3.29Å; S617-Y621 PolarHBondContact O-N 3.02Å
618	A	92	Very high	92.3	Very high	16 Å²	16	28.6 Å²	28.6	13%	0.132	14%	0.144	C	C	.	.	H	α-helix	trans	-65.8	-37.2	177.8	0	0	0	0	0	112.1	Y572 Y621 A622 L654	Y572-A618 HydrophobicContact CE1-CB 3.94Å; A618-Y621 PolarHBondContact O-N 3.43Å; A618-A622 WeakPolarHBondContact O-CB 3.36Å; A618-A622 PolarHBondContact O-N 2.83Å; A618-L654 HydrophobicContact CB-CD1 3.97Å
619	E	93.9	Very high	93.4	Very high	111 Å²	111	28.3 Å²	28.3	52%	0.519	14%	0.143	S	C	.	.	H	α-helix	trans	-66.3	-45.6	178.4	-54.8	70.5	-152.8	0	0	110.9	S617 A622 C623 L651	S617-E619 VanDerWaalsContact C-N 3.35Å; S617-E619 VanDerWaalsContact CB-OE2 3.26Å; S617-E619 WeakPolarHBondContact CB-OE2 3.42Å; S617-E619 PolarHBondContact OG-N 2.87Å; S617-E619 PolarHBondContact OG-OE2 3.01Å; E619-A622 PolarHBondContact O-N 2.99Å; E619-C623 PolarHBondContact O-N 3.14Å; E619-C623 PolarHBondContact O-SG 3.1Å; E619-C623 VanDerWaalsContact O-SG 3.34Å; E619-L651 HydrophobicContact CG-CD2 4.3Å
620	Q	95.3	Very high	93.7	Very high	47 Å²	47	26.5 Å²	26.5	22%	0.22	14%	0.135	C	C	.	.	H	α-helix	trans	-60.7	-49.8	174.8	-165.2	-172.2	35.1	0	0	109.9	S512 F615 S617 A622 C623 W624	S512-Q620 PolarHBondContact O-NE2 2.95Å; S512-Q620 VanDerWaalsContact O-NE2 3.08Å; F615-Q620 HydrophobicContact CB-CB 4.46Å; F615-Q620 HydrophobicContact CD1-CG 3.84Å; S617-Q620 PolarHBondContact OG-N 2.97Å; S617-Q620 VanDerWaalsContact OG-N 3.14Å; Q620-A622 VanDerWaalsContact C-N 3.33Å; Q620-A622 PolarHBondContact O-N 3.46Å; Q620-C623 PolarHBondContact O-N 3.3Å; Q620-W624 PolarHBondContact O-N 3.37Å
621	Y	95.9	Very high	93.8	Very high	4 Å²	4	24.1 Å²	24.1	2%	0.016	12%	0.124	C	C	.	.	H	α-helix	trans	-57	-44	177.5	168.1	-95	0	0	0	113	F563 V565 Y572 I574 F615 S617 A618 W624 L625 T650 L654	F563-Y621 HydrophobicContact CB-CE2 4.41Å; F563-Y621 VanDerWaalsContact CB-OH 3.24Å; F563-Y621 WeakPolarHBondContact CB-OH 3.29Å; F563-Y621 WeakPolarHBondContact CG-OH 3.14Å; V565-Y621 HydrophobicContact CG2-CD2 4.5Å; V565-Y621 HydrophobicContact CG2-CE1 3.75Å; V565-Y621 HydrophobicContact CG2-CE2 3.66Å; V565-Y621 WeakPolarHBondContact CG2-OH 3.03Å; Y572-Y621 HydrophobicContact CD1-CD1 4.27Å; Y572-Y621 HydrophobicContact CD1-CG 4.15Å; Y572-Y621 HydrophobicContact CG-CG 4.37Å; I574-Y621 HydrophobicContact CD1-CD2 4.22Å; I574-Y621 HydrophobicContact CD1-CE2 4.16Å; I574-Y621 HydrophobicContact CG1-CD2 3.9Å; I574-Y621 HydrophobicContact CG1-CE2 3.51Å; F615-Y621 AromaticContact CD2-CD2 3.76Å; F615-Y621 HydrophobicContact CD2-CD2 3.76Å; F615-Y621 HydrophobicContact CD2-CG 4.42Å; F615-Y621 HydrophobicContact CE2-CD2 4.17Å; S617-Y621 WeakPolarHBondContact O-CB 3.29Å; S617-Y621 PolarHBondContact O-N 3.02Å; A618-Y621 PolarHBondContact O-N 3.43Å; Y621-W624 PolarHBondContact O-N 3.14Å; Y621-L625 HydrophobicContact CE1-CB 4.44Å; Y621-L625 HydrophobicContact CE1-CD2 3.95Å; Y621-L625 VanDerWaalsContact O-CB 3.28Å; Y621-L625 WeakPolarHBondContact O-CB 3.29Å; Y621-L625 PolarHBondContact O-N 2.65Å; Y621-L625 WeakPolarHBondContact OH-CD2 3.39Å; Y621-T650 HydrophobicContact CD1-CG2 4.42Å; Y621-T650 HydrophobicContact CE1-CG2 4.04Å; Y621-L654 HydrophobicContact CD1-CD1 3.73Å; Y621-L654 HydrophobicContact CD1-CD2 4.43Å; Y621-L654 HydrophobicContact CE1-CD1 4.12Å; Y621-L654 HydrophobicContact CE1-CD2 4.22Å
622	A	95.2	Very high	93.5	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-63.5	-45.2	-179.1	0	0	0	0	0	112.3	A618 E619 Q620 W624 L625 A626 V647 T650 L651	A618-A622 WeakPolarHBondContact O-CB 3.36Å; A618-A622 PolarHBondContact O-N 2.83Å; E619-A622 PolarHBondContact O-N 2.99Å; Q620-A622 VanDerWaalsContact C-N 3.33Å; Q620-A622 PolarHBondContact O-N 3.46Å; A622-W624 PolarHBondContact O-N 2.66Å; A622-L625 PolarHBondContact O-N 3.04Å; A622-A626 VanDerWaalsContact O-CB 3.3Å; A622-A626 WeakPolarHBondContact O-CB 3.36Å; A622-A626 PolarHBondContact O-N 3.45Å; A622-V647 HydrophobicContact CB-CG1 4.41Å; A622-T650 HydrophobicContact CB-CG2 3.78Å; A622-L651 HydrophobicContact CB-CD2 3.78Å; A622-L651 HydrophobicContact CB-CG 3.69Å
623	C	96.4	Very high	92.8	Very high	35 Å²	35	31.3 Å²	31.3	24%	0.236	16%	0.155	C	C	.	.	H	α-helix	trans	-56.8	-48.8	173.9	-72.1	0	0	0	0	111.8	L509 E619 Q620 A627 Y643	L509-C623 HydrophobicContact CD2-CB 4.45Å; E619-C623 PolarHBondContact O-N 3.14Å; E619-C623 PolarHBondContact O-SG 3.1Å; E619-C623 VanDerWaalsContact O-SG 3.34Å; Q620-C623 PolarHBondContact O-N 3.3Å; C623-A627 WeakPolarHBondContact O-CB 3.46Å; C623-A627 PolarHBondContact O-N 2.76Å; C623-Y643 WeakPolarHBondContact CB-OH 3.3Å; C623-Y643 WeakPolarHBondContact O-CE2 3.19Å
624	W	96.9	Very high	91.8	Very high	5 Å²	5	32.2 Å²	32.2	2%	0.019	17%	0.165	C	C	.	.	H	α-helix	trans	-72.2	-37	-177.4	-77.2	77.3	0	0	0	112.9	L509 I513 A531 I533 L538 I574 F615 Q620 Y621 A622 A627 C628	L509-W624 HydrophobicContact CD2-CD2 3.95Å; L509-W624 HydrophobicContact CD2-CG 3.97Å; L509-W624 HydrophobicContact CG-CZ2 4.27Å; I513-W624 HydrophobicContact CD1-CE3 4.15Å; I513-W624 HydrophobicContact CD1-CH2 4.09Å; I513-W624 HydrophobicContact CD1-CZ3 3.82Å; I513-W624 HydrophobicContact CG2-CD2 4.36Å; I513-W624 HydrophobicContact CG2-CH2 4.43Å; I513-W624 HydrophobicContact CG2-CZ2 3.92Å; A531-W624 HydrophobicContact CB-CH2 3.37Å; A531-W624 HydrophobicContact CB-CZ2 4.27Å; A531-W624 HydrophobicContact CB-CZ3 3.85Å; I533-W624 HydrophobicContact CD1-CE3 3.64Å; I533-W624 HydrophobicContact CD1-CZ3 3.62Å; I533-W624 HydrophobicContact CG1-CE3 4.3Å; I533-W624 HydrophobicContact CG1-CH2 4.42Å; I533-W624 HydrophobicContact CG1-CZ3 3.75Å; L538-W624 HydrophobicContact CD1-CZ3 3.83Å; I574-W624 HydrophobicContact CD1-CB 4.19Å; F615-W624 HydrophobicContact CD1-CB 4.29Å; F615-W624 HydrophobicContact CD1-CG 4.1Å; F615-W624 HydrophobicContact CE1-CB 3.4Å; F615-W624 VanDerWaalsContact CE1-CB 3.4Å; F615-W624 AromaticContact CE1-CD1 3.71Å; F615-W624 AromaticContact CE1-CD2 3.66Å; F615-W624 HydrophobicContact CE1-CD2 3.66Å; F615-W624 HydrophobicContact CE1-CE3 4.25Å; F615-W624 AromaticContact CE1-CG 3.25Å; F615-W624 HydrophobicContact CE1-CG 3.25Å; F615-W624 HydrophobicContact CE2-CB 4.37Å; F615-W624 HydrophobicContact CZ-CB 3.44Å; F615-W624 VanDerWaalsContact CZ-CB 3.44Å; F615-W624 HydrophobicContact CZ-CD2 4.22Å; F615-W624 HydrophobicContact CZ-CE3 4.47Å; F615-W624 AromaticContact CZ-CG 3.81Å; F615-W624 HydrophobicContact CZ-CG 3.81Å; Q620-W624 PolarHBondContact O-N 3.37Å; Y621-W624 PolarHBondContact O-N 3.14Å; A622-W624 PolarHBondContact O-N 2.66Å; W624-A627 PolarHBondContact O-N 3.32Å; W624-C628 WeakPolarHBondContact O-CB 3.41Å; W624-C628 PolarHBondContact O-N 3.49Å; W624-C628 PolarHBondContact O-SG 2.97Å
625	L	94.8	Very high	91.2	Very high	3 Å²	3	33.8 Å²	33.8	2%	0.016	17%	0.171	C	C	.	.	H	α-helix	trans	-63.3	-45.4	174.5	-176.6	71.2	0	0	0	111.1	V561 F563 I574 Y621 A622 A627 C628 R629 T650	V561-L625 HydrophobicContact CG1-CD1 3.76Å; F563-L625 HydrophobicContact CB-CD1 4.49Å; F563-L625 HydrophobicContact CD1-CD1 4.28Å; I574-L625 HydrophobicContact CD1-CB 3.83Å; I574-L625 HydrophobicContact CD1-CD1 4.07Å; I574-L625 HydrophobicContact CG1-CD1 4.06Å; Y621-L625 HydrophobicContact CE1-CB 4.44Å; Y621-L625 HydrophobicContact CE1-CD2 3.95Å; Y621-L625 VanDerWaalsContact O-CB 3.28Å; Y621-L625 WeakPolarHBondContact O-CB 3.29Å; Y621-L625 PolarHBondContact O-N 2.65Å; Y621-L625 WeakPolarHBondContact OH-CD2 3.39Å; A622-L625 PolarHBondContact O-N 3.04Å; L625-A627 VanDerWaalsContact C-N 3.34Å; L625-A627 PolarHBondContact O-N 3.35Å; L625-C628 PolarHBondContact O-N 2.79Å; L625-R629 HydrophobicContact CD1-CG 4.45Å; L625-R629 HydrophobicContact CG-CG 4.42Å; L625-R629 WeakPolarHBondContact O-CB 3.31Å; L625-R629 WeakPolarHBondContact O-CG 3.34Å; L625-R629 PolarHBondContact O-N 2.86Å; L625-T650 HydrophobicContact CD2-CG2 3.76Å
626	A	93.8	Very high	90.8	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-59.9	-45.6	176.9	0	0	0	0	0	111.5	A622 R629 L630 Y643 E646 V647	A622-A626 VanDerWaalsContact O-CB 3.3Å; A622-A626 WeakPolarHBondContact O-CB 3.36Å; A622-A626 PolarHBondContact O-N 3.45Å; A626-R629 PolarHBondContact O-N 2.97Å; A626-L630 WeakPolarHBondContact O-CG 3.44Å; A626-L630 PolarHBondContact O-N 2.69Å; A626-Y643 HydrophobicContact CB-CD2 3.98Å; A626-Y643 HydrophobicContact CB-CE2 3.91Å; A626-E646 HydrophobicContact CB-CB 3.8Å; A626-E646 HydrophobicContact CB-CG 3.57Å; A626-V647 HydrophobicContact CB-CB 4.45Å; A626-V647 HydrophobicContact CB-CG2 3.46Å; A626-V647 VanDerWaalsContact CB-CG2 3.46Å
627	A	94.8	Very high	90.6	Very high	2 Å²	2	31.7 Å²	31.7	2%	0.017	16%	0.162	C	C	.	.	H	α-helix	trans	-60.4	-47.5	175.9	0	0	0	0	0	112	L509 I533 C623 W624 L625 L630 G631 L637 Y643	L509-A627 HydrophobicContact CD2-CB 3.78Å; I533-A627 HydrophobicContact CD1-CB 3.89Å; I533-A627 HydrophobicContact CG2-CB 4.47Å; C623-A627 WeakPolarHBondContact O-CB 3.46Å; C623-A627 PolarHBondContact O-N 2.76Å; W624-A627 PolarHBondContact O-N 3.32Å; L625-A627 VanDerWaalsContact C-N 3.34Å; L625-A627 PolarHBondContact O-N 3.35Å; A627-L630 PolarHBondContact O-N 3.4Å; A627-G631 PolarHBondContact O-N 2.7Å; A627-L637 HydrophobicContact CB-CD2 3.93Å; A627-Y643 HydrophobicContact CB-CE2 4.14Å
628	C	94.3	Very high	90.3	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-64.4	-40.2	177.8	-69.6	0	0	0	0	112.6	V561 L576 W624 L625 G631 S632	V561-C628 HydrophobicContact CG1-CB 4.34Å; V561-C628 HydrophobicContact CG2-CB 4.13Å; L576-C628 HydrophobicContact CD2-CB 3.9Å; W624-C628 WeakPolarHBondContact O-CB 3.41Å; W624-C628 PolarHBondContact O-N 3.49Å; W624-C628 PolarHBondContact O-SG 2.97Å; L625-C628 PolarHBondContact O-N 2.79Å; C628-G631 PolarHBondContact O-N 2.87Å; C628-S632 WeakPolarHBondContact O-CB 3.49Å; C628-S632 PolarHBondContact O-N 3.33Å; C628-S632 PolarHBondContact O-OG 3.47Å
629	R	89.7	Confident	89.9	Confident	31 Å²	31	34 Å²	34	12%	0.117	18%	0.18	C	C	.	.	H	α-helix	trans	-65.7	-41	177.1	-77.8	179.6	170.8	-178.7	-0.6	112.1	V561 F563 L625 A626 S632 E646 R724	V561-R629 HydrophobicContact CG1-CG 4.31Å; F563-R629 VanDerWaalsContact CE1-NH2 3.27Å; L625-R629 HydrophobicContact CD1-CG 4.45Å; L625-R629 HydrophobicContact CG-CG 4.42Å; L625-R629 WeakPolarHBondContact O-CB 3.31Å; L625-R629 WeakPolarHBondContact O-CG 3.34Å; L625-R629 PolarHBondContact O-N 2.86Å; A626-R629 PolarHBondContact O-N 2.97Å; R629-S632 PolarHBondContact O-OG 3.37Å; R629-E646 WeakPolarHBondContact CD-OE1 3.36Å; R629-E646 IonicContact CZ-OE1 3.51Å; R629-E646 IonicContact NE-OE1 3.95Å; R629-E646 IonicContact NH1-OE1 2.8Å; R629-E646 PolarHBondContact NH1-OE1 3.1Å; R629-R724 PolarHBondContact NH2-O 2.84Å
630	L	89	Confident	89.5	Confident	8 Å²	8	36.7 Å²	36.7	4%	0.042	19%	0.19	C	C	.	.	H	α-helix	trans	-64.8	-47.7	172.7	-73.2	178.2	0	0	0	111.2	A626 A627 S632 R633 G634 K635 A642 Y643	A626-L630 WeakPolarHBondContact O-CG 3.44Å; A626-L630 PolarHBondContact O-N 2.69Å; A627-L630 PolarHBondContact O-N 3.4Å; L630-S632 VanDerWaalsContact C-N 3.31Å; L630-S632 PolarHBondContact O-N 3.47Å; L630-R633 CarbonylContact O-C 3.51Å; L630-R633 WeakPolarHBondContact O-CA 3.46Å; L630-R633 PolarHBondContact O-N 3.2Å; L630-G634 PolarHBondContact O-N 3.35Å; L630-K635 CarbonylContact C-O 3.39Å; L630-K635 HydrophobicContact CB-CB 4.18Å; L630-K635 HydrophobicContact CD2-CB 4.23Å; L630-K635 HydrophobicContact CD2-CD 4.18Å; L630-K635 PolarHBondContact O-N 3.05Å; L630-A642 HydrophobicContact CD2-CB 4.11Å; L630-Y643 HydrophobicContact CD1-CD2 4.06Å; L630-Y643 HydrophobicContact CD1-CG 4.36Å
631	G	88.9	Confident	89.1	Confident	1 Å²	1	39.4 Å²	39.4	1%	0.01	21%	0.21	C	C	.	.	H	α-helix	trans	-57.5	-40.7	177.6	0	0	0	0	0	112.9	L556 R557 A627 C628 R633 G634 K635	L556-G631 CarbonylContact C-O 3.59Å; L556-G631 CarbonylContact O-C 3.54Å; R557-G631 VanDerWaalsContact CA-O 3.29Å; R557-G631 WeakPolarHBondContact CA-O 3.34Å; R557-G631 PolarHBondContact N-O 3.03Å; A627-G631 PolarHBondContact O-N 2.7Å; C628-G631 PolarHBondContact O-N 2.87Å; G631-R633 PolarHBondContact O-N 2.98Å; G631-R633 VanDerWaalsContact O-N 3.1Å; G631-G634 PolarHBondContact O-N 3.41Å; G631-K635 PolarHBondContact N-O 3.44Å
632	S	84.9	Confident	88.6	Confident	28 Å²	28	40.6 Å²	40.6	20%	0.196	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-19.2	175.1	69.2	0	0	0	0	114.9	L556 D558 C559 C628 R629 L630	L556-S632 WeakPolarHBondContact O-CA 3.29Å; L556-S632 PolarHBondContact O-N 2.9Å; D558-S632 PolarHBondContact N-O 3.45Å; C559-S632 VanDerWaalsContact O-CB 3.23Å; C559-S632 WeakPolarHBondContact O-CB 3.3Å; C628-S632 WeakPolarHBondContact O-CB 3.49Å; C628-S632 PolarHBondContact O-N 3.33Å; C628-S632 PolarHBondContact O-OG 3.47Å; R629-S632 PolarHBondContact O-OG 3.37Å; L630-S632 VanDerWaalsContact C-N 3.31Å; L630-S632 PolarHBondContact O-N 3.47Å
633	R	78.3	Confident	88.4	Confident	153 Å²	153	42.7 Å²	42.7	58%	0.577	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.6	12.6	176.6	-61	171.4	179.2	159.5	-1.9	112.1	L630 G631 K635	L630-R633 CarbonylContact O-C 3.51Å; L630-R633 WeakPolarHBondContact O-CA 3.46Å; L630-R633 PolarHBondContact O-N 3.2Å; G631-R633 PolarHBondContact O-N 2.98Å; G631-R633 VanDerWaalsContact O-N 3.1Å; R633-K635 HydrophobicContact CB-CG 4.45Å; R633-K635 PolarHBondContact O-N 2.95Å
634	G	76.6	Confident	88.2	Confident	19 Å²	19	42.6 Å²	42.6	20%	0.196	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.4	4.9	-175.2	0	0	0	0	0	114.7	L630 G631	L630-G634 PolarHBondContact O-N 3.35Å; G631-G634 PolarHBondContact O-N 3.41Å
635	K	82.4	Confident	87.8	Confident	102 Å²	102	49.2 Å²	49.2	44%	0.443	26%	0.263	S	S	.	.			trans	-85.4	139.6	-179.1	-61.5	-173.1	178.9	-172.5	0	110.8	L630 G631 R633	L630-K635 CarbonylContact C-O 3.39Å; L630-K635 HydrophobicContact CB-CB 4.18Å; L630-K635 HydrophobicContact CD2-CB 4.23Å; L630-K635 HydrophobicContact CD2-CD 4.18Å; L630-K635 PolarHBondContact O-N 3.05Å; G631-K635 PolarHBondContact N-O 3.44Å; R633-K635 HydrophobicContact CB-CG 4.45Å; R633-K635 PolarHBondContact O-N 2.95Å
636	T	87.9	Confident	87.6	Confident	44 Å²	44	50.6 Å²	50.6	27%	0.27	27%	0.269	S	S	.	.			trans	-94.2	169	176.1	71.9	0	0	0	0	111.5	A638 S639	T636-A638 PolarHBondContact O-N 2.92Å; T636-A638 VanDerWaalsContact O-N 3.14Å; T636-A638 VanDerWaalsContact OG1-CB 3.3Å; T636-A638 WeakPolarHBondContact OG1-CB 3.48Å; T636-A638 PolarHBondContact OG1-N 3.32Å; T636-S639 PolarHBondContact O-N 3.12Å
637	L	88	Confident	87.6	Confident	13 Å²	13	51.5 Å²	51.5	7%	0.068	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-5.3	174.3	-62	174.1	0	0	0	113.2	P507 L509 I533 A627 S639 Y643	P507-L637 HydrophobicContact CB-CB 3.98Å; P507-L637 WeakPolarHBondContact O-CB 3.33Å; L509-L637 HydrophobicContact CB-CD1 3.65Å; I533-L637 HydrophobicContact CG2-CD1 4.38Å; A627-L637 HydrophobicContact CB-CD2 3.93Å; L637-S639 PolarHBondContact O-N 3.33Å; L637-Y643 HydrophobicContact CD2-CD2 3.48Å; L637-Y643 VanDerWaalsContact CD2-CD2 3.48Å; L637-Y643 HydrophobicContact CD2-CE2 3.7Å; L637-Y643 HydrophobicContact CD2-CG 3.98Å
638	A	87.2	Confident	87.5	Confident	57 Å²	57	57.2 Å²	57.2	47%	0.471	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-26.5	170.5	0	0	0	0	0	112	V506 T636 K640	V506-A638 HydrophobicContact CG1-CB 4.48Å; T636-A638 PolarHBondContact O-N 2.92Å; T636-A638 VanDerWaalsContact O-N 3.14Å; T636-A638 VanDerWaalsContact OG1-CB 3.3Å; T636-A638 WeakPolarHBondContact OG1-CB 3.48Å; T636-A638 PolarHBondContact OG1-N 3.32Å; A638-K640 PolarHBondContact O-N 2.78Å
639	S	83.1	Confident	87.2	Confident	50 Å²	50	57.8 Å²	57.8	35%	0.35	31%	0.305	S	S	.	.			trans	-76	65.2	170.2	-162.8	0	0	0	0	111.1	T636 L637 V641 A642 Y643	T636-S639 PolarHBondContact O-N 3.12Å; L637-S639 PolarHBondContact O-N 3.33Å; S639-V641 PolarHBondContact O-N 3.11Å; S639-V641 VanDerWaalsContact O-N 3.13Å; S639-A642 PolarHBondContact O-N 3.4Å; S639-A642 VanDerWaalsContact OG-CB 3.25Å; S639-A642 WeakPolarHBondContact OG-CB 3.48Å; S639-Y643 PolarHBondContact O-N 3.38Å
640	K	86.1	Confident	87.2	Confident	169 Å²	169	56.5 Å²	56.5	74%	0.735	30%	0.301	S	S	*	.	H	α-helix	trans	-54.1	-36.3	-174.9	-171.3	175.9	-177.9	178.2	0	112.7	A638 G644	A638-K640 PolarHBondContact O-N 2.78Å; K640-G644 PolarHBondContact O-N 3.25Å
641	V	86.7	Confident	87.3	Confident	103 Å²	103	58 Å²	58	62%	0.624	31%	0.309	S	S	*	.	H	α-helix	trans	-67.9	-46.9	177.3	179.3	0	0	0	0	111.6	S639 K645	S639-V641 PolarHBondContact O-N 3.11Å; S639-V641 VanDerWaalsContact O-N 3.13Å; V641-K645 HydrophobicContact CG1-CD 4.24Å; V641-K645 WeakPolarHBondContact O-CB 3.34Å; V641-K645 VanDerWaalsContact O-CG 3.31Å; V641-K645 WeakPolarHBondContact O-CG 3.43Å; V641-K645 PolarHBondContact O-N 2.9Å
642	A	85	Confident	87.3	Confident	30 Å²	30	61.5 Å²	61.5	25%	0.248	33%	0.325	C	S	.	.	H	α-helix	trans	-67	-40.2	178.9	0	0	0	0	0	111.4	L630 S639 E646	L630-A642 HydrophobicContact CD2-CB 4.11Å; S639-A642 PolarHBondContact O-N 3.4Å; S639-A642 VanDerWaalsContact OG-CB 3.25Å; S639-A642 WeakPolarHBondContact OG-CB 3.48Å; A642-E646 WeakPolarHBondContact O-CB 3.31Å; A642-E646 PolarHBondContact O-N 3.39Å
643	Y	91.6	Very high	87.2	Confident	43 Å²	43	61.2 Å²	61.2	17%	0.169	32%	0.321	C	S	.	.	H	α-helix	trans	-61.7	-52.5	174.7	175.9	-107.5	0	0	0	111.5	C623 A626 A627 L630 L637 S639 K645 E646 V647	C623-Y643 WeakPolarHBondContact CB-OH 3.3Å; C623-Y643 WeakPolarHBondContact O-CE2 3.19Å; A626-Y643 HydrophobicContact CB-CD2 3.98Å; A626-Y643 HydrophobicContact CB-CE2 3.91Å; A627-Y643 HydrophobicContact CB-CE2 4.14Å; L630-Y643 HydrophobicContact CD1-CD2 4.06Å; L630-Y643 HydrophobicContact CD1-CG 4.36Å; L637-Y643 HydrophobicContact CD2-CD2 3.48Å; L637-Y643 VanDerWaalsContact CD2-CD2 3.48Å; L637-Y643 HydrophobicContact CD2-CE2 3.7Å; L637-Y643 HydrophobicContact CD2-CG 3.98Å; S639-Y643 PolarHBondContact O-N 3.38Å; Y643-K645 VanDerWaalsContact C-N 3.34Å; Y643-K645 PolarHBondContact O-N 3.07Å; Y643-E646 PolarHBondContact O-N 3.22Å; Y643-E646 VanDerWaalsContact O-N 3.15Å; Y643-V647 HydrophobicContact CD1-CG2 4.39Å; Y643-V647 HydrophobicContact CD2-CG2 4.14Å; Y643-V647 HydrophobicContact CE1-CG2 3.99Å; Y643-V647 HydrophobicContact CE2-CG2 3.73Å; Y643-V647 HydrophobicContact CG-CG2 4.47Å; Y643-V647 WeakPolarHBondContact O-CG2 3.33Å; Y643-V647 PolarHBondContact O-N 3.48Å
644	G	92	Very high	87.6	Confident	33 Å²	33	54.4 Å²	54.4	34%	0.34	30%	0.296	S	S	.	.	H	α-helix	trans	-56.4	-46.3	178.6	0	0	0	0	0	112.5	K640 E646 V647 E648	K640-G644 PolarHBondContact O-N 3.25Å; G644-E646 PolarHBondContact O-N 3.46Å; G644-V647 PolarHBondContact O-N 2.63Å; G644-E648 WeakPolarHBondContact O-CB 3.27Å; G644-E648 PolarHBondContact O-N 2.86Å
645	K	88.6	Confident	88	Confident	144 Å²	144	60.2 Å²	60.2	63%	0.626	32%	0.316	S	S	*	.	H	α-helix	trans	-59.3	-42.7	176.3	-76.4	-179.6	178.4	-178	0	112.6	V641 Y643 A649	V641-K645 HydrophobicContact CG1-CD 4.24Å; V641-K645 WeakPolarHBondContact O-CB 3.34Å; V641-K645 VanDerWaalsContact O-CG 3.31Å; V641-K645 WeakPolarHBondContact O-CG 3.43Å; V641-K645 PolarHBondContact O-N 2.9Å; Y643-K645 VanDerWaalsContact C-N 3.34Å; Y643-K645 PolarHBondContact O-N 3.07Å; K645-A649 WeakPolarHBondContact O-CB 3.4Å; K645-A649 PolarHBondContact O-N 3.21Å
646	E	90	Very high	87.8	Confident	33 Å²	33	56.5 Å²	56.5	15%	0.154	30%	0.301	C	S	.	.	H	α-helix	trans	-70.7	-36	-179.8	-173	67.7	-157.4	0	0	112.3	A626 R629 A642 Y643 G644 T650	A626-E646 HydrophobicContact CB-CB 3.8Å; A626-E646 HydrophobicContact CB-CG 3.57Å; R629-E646 WeakPolarHBondContact CD-OE1 3.36Å; R629-E646 IonicContact CZ-OE1 3.51Å; R629-E646 IonicContact NE-OE1 3.95Å; R629-E646 IonicContact NH1-OE1 2.8Å; R629-E646 PolarHBondContact NH1-OE1 3.1Å; A642-E646 WeakPolarHBondContact O-CB 3.31Å; A642-E646 PolarHBondContact O-N 3.39Å; Y643-E646 PolarHBondContact O-N 3.22Å; Y643-E646 VanDerWaalsContact O-N 3.15Å; G644-E646 PolarHBondContact O-N 3.46Å; E646-T650 WeakPolarHBondContact O-CB 3.39Å; E646-T650 PolarHBondContact O-N 3.4Å; E646-T650 PolarHBondContact O-OG1 2.73Å
647	V	93.8	Very high	87.4	Confident	18 Å²	18	55.9 Å²	55.9	11%	0.109	30%	0.295	C	S	.	.	H	α-helix	trans	-65	-52	174.6	174.2	0	0	0	0	110.9	A622 A626 Y643 G644 A649 T650 L651	A622-V647 HydrophobicContact CB-CG1 4.41Å; A626-V647 HydrophobicContact CB-CB 4.45Å; A626-V647 HydrophobicContact CB-CG2 3.46Å; A626-V647 VanDerWaalsContact CB-CG2 3.46Å; Y643-V647 HydrophobicContact CD1-CG2 4.39Å; Y643-V647 HydrophobicContact CD2-CG2 4.14Å; Y643-V647 HydrophobicContact CE1-CG2 3.99Å; Y643-V647 HydrophobicContact CE2-CG2 3.73Å; Y643-V647 HydrophobicContact CG-CG2 4.47Å; Y643-V647 WeakPolarHBondContact O-CG2 3.33Å; Y643-V647 PolarHBondContact O-N 3.48Å; G644-V647 PolarHBondContact O-N 2.63Å; V647-A649 VanDerWaalsContact C-N 3.35Å; V647-A649 PolarHBondContact O-N 3.24Å; V647-T650 PolarHBondContact O-N 3.46Å; V647-L651 HydrophobicContact CG1-CD1 4.06Å; V647-L651 WeakPolarHBondContact O-CG 3.2Å; V647-L651 PolarHBondContact O-N 2.95Å
648	E	92.8	Very high	86.7	Confident	123 Å²	123	59.9 Å²	59.9	58%	0.575	31%	0.314	S	S	*	.	H	α-helix	trans	-57.7	-48.9	178.5	-179.7	176.1	-155.4	0	0	111	G644 T650 L651 E652	G644-E648 WeakPolarHBondContact O-CB 3.27Å; G644-E648 PolarHBondContact O-N 2.86Å; E648-T650 VanDerWaalsContact C-N 3.31Å; E648-T650 PolarHBondContact O-N 2.92Å; E648-L651 PolarHBondContact O-N 3.26Å; E648-E652 PolarHBondContact O-N 3.26Å
649	A	87.9	Confident	85.6	Confident	11 Å²	11	61.1 Å²	61.1	9%	0.091	32%	0.318	C	S	.	.	H	α-helix	trans	-54.5	-43.2	175	0	0	0	0	0	113.7	K645 V647 L653 R724	K645-A649 WeakPolarHBondContact O-CB 3.4Å; K645-A649 PolarHBondContact O-N 3.21Å; V647-A649 VanDerWaalsContact C-N 3.35Å; V647-A649 PolarHBondContact O-N 3.24Å; A649-L653 PolarHBondContact O-N 2.91Å; A649-R724 PolarHBondContact O-NH1 2.84Å
650	T	90	Very high	84.7	Confident	5 Å²	5	59.4 Å²	59.4	3%	0.031	31%	0.308	C	S	.	.	H	α-helix	trans	-69.9	-42.4	179.8	-60.2	0	0	0	0	110.7	Y621 A622 L625 E646 V647 E648 E652 L653 L654	Y621-T650 HydrophobicContact CD1-CG2 4.42Å; Y621-T650 HydrophobicContact CE1-CG2 4.04Å; A622-T650 HydrophobicContact CB-CG2 3.78Å; L625-T650 HydrophobicContact CD2-CG2 3.76Å; E646-T650 WeakPolarHBondContact O-CB 3.39Å; E646-T650 PolarHBondContact O-N 3.4Å; E646-T650 PolarHBondContact O-OG1 2.73Å; V647-T650 PolarHBondContact O-N 3.46Å; E648-T650 VanDerWaalsContact C-N 3.31Å; E648-T650 PolarHBondContact O-N 2.92Å; T650-E652 PolarHBondContact O-N 3.41Å; T650-L653 PolarHBondContact O-N 3.38Å; T650-L654 HydrophobicContact CG2-CD1 4.17Å; T650-L654 VanDerWaalsContact O-CG 3.32Å; T650-L654 WeakPolarHBondContact O-CG 3.48Å; T650-L654 PolarHBondContact O-N 3.47Å
651	L	91.9	Very high	83.5	Confident	39 Å²	39	55.9 Å²	55.9	20%	0.204	30%	0.302	C	S	.	.	H	α-helix	trans	-61.3	-42.6	175.4	-76.7	173.8	0	0	0	112.4	E619 A622 V647 E648 L653 L654 K655	E619-L651 HydrophobicContact CG-CD2 4.3Å; A622-L651 HydrophobicContact CB-CD2 3.78Å; A622-L651 HydrophobicContact CB-CG 3.69Å; V647-L651 HydrophobicContact CG1-CD1 4.06Å; V647-L651 WeakPolarHBondContact O-CG 3.2Å; V647-L651 PolarHBondContact O-N 2.95Å; E648-L651 PolarHBondContact O-N 3.26Å; L651-L653 VanDerWaalsContact C-N 3.33Å; L651-L653 PolarHBondContact O-N 3.08Å; L651-L654 PolarHBondContact O-N 2.66Å; L651-K655 VanDerWaalsContact O-CG 3.27Å; L651-K655 WeakPolarHBondContact O-CG 3.48Å; L651-K655 PolarHBondContact O-N 3.14Å
652	E	87.7	Confident	82.1	Confident	74 Å²	74	56.4 Å²	56.4	35%	0.346	31%	0.31	S	S	.	.	H	α-helix	trans	-56.1	-48	173	-76.3	-171.9	172.7	0	0	111.3	E648 T650 L654 K655 L656 K717	E648-E652 PolarHBondContact O-N 3.26Å; T650-E652 PolarHBondContact O-N 3.41Å; E652-L654 PolarHBondContact O-N 2.95Å; E652-K655 WeakPolarHBondContact O-CB 3.34Å; E652-K655 PolarHBondContact O-N 3.45Å; E652-L656 WeakPolarHBondContact O-CG 3.41Å; E652-L656 PolarHBondContact O-N 3.38Å; E652-K717 IonicContact OE2-NZ 2.85Å; E652-K717 PolarHBondContact OE2-NZ 3.06Å
653	L	83.4	Confident	80.8	Confident	22 Å²	22	57 Å²	57	12%	0.115	31%	0.312	C	S	.	.	H	α-helix	trans	-62.4	-41.8	-179.8	-177.8	63.1	0	0	0	112.2	V360 A649 T650 L651 L656 Q657 T721	V360-L653 HydrophobicContact CG1-CD1 4.4Å; A649-L653 PolarHBondContact O-N 2.91Å; T650-L653 PolarHBondContact O-N 3.38Å; L651-L653 VanDerWaalsContact C-N 3.33Å; L651-L653 PolarHBondContact O-N 3.08Å; L653-L656 PolarHBondContact O-N 3.21Å; L653-Q657 WeakPolarHBondContact O-CG 3.42Å; L653-Q657 PolarHBondContact O-N 3.12Å; L653-T721 HydrophobicContact CD1-CG2 3.77Å
654	L	86.5	Confident	79.3	Confident	10 Å²	10	58.7 Å²	58.7	5%	0.052	33%	0.334	C	S	.	.	H	α-helix	trans	-65.5	-38.9	177.6	-66.7	170.6	0	0	0	112	V565 V567 Y572 A618 Y621 T650 L651 E652 L656 Q657 M658	V565-L654 HydrophobicContact CG1-CD2 3.66Å; V567-L654 HydrophobicContact CG2-CD2 4Å; Y572-L654 HydrophobicContact CE1-CD2 4.37Å; A618-L654 HydrophobicContact CB-CD1 3.97Å; Y621-L654 HydrophobicContact CD1-CD1 3.73Å; Y621-L654 HydrophobicContact CD1-CD2 4.43Å; Y621-L654 HydrophobicContact CE1-CD1 4.12Å; Y621-L654 HydrophobicContact CE1-CD2 4.22Å; T650-L654 HydrophobicContact CG2-CD1 4.17Å; T650-L654 VanDerWaalsContact O-CG 3.32Å; T650-L654 WeakPolarHBondContact O-CG 3.48Å; T650-L654 PolarHBondContact O-N 3.47Å; L651-L654 PolarHBondContact O-N 2.66Å; E652-L654 PolarHBondContact O-N 2.95Å; L654-L656 VanDerWaalsContact C-N 3.3Å; L654-L656 PolarHBondContact O-N 3.21Å; L654-Q657 PolarHBondContact O-N 3.06Å; L654-M658 PolarHBondContact O-N 3.47Å
655	K	84.5	Confident	78.2	Confident	142 Å²	142	58.8 Å²	58.8	62%	0.617	33%	0.326	S	S	*	.	H	α-helix	trans	-61.8	-39.6	175	-73.2	171.2	-177.4	179	0	111.4	L651 E652 Q657 M658	L651-K655 VanDerWaalsContact O-CG 3.27Å; L651-K655 WeakPolarHBondContact O-CG 3.48Å; L651-K655 PolarHBondContact O-N 3.14Å; E652-K655 WeakPolarHBondContact O-CB 3.34Å; E652-K655 PolarHBondContact O-N 3.45Å; K655-Q657 VanDerWaalsContact C-N 3.25Å; K655-Q657 PolarHBondContact O-N 3.25Å; K655-M658 WeakPolarHBondContact O-CB 3.38Å; K655-M658 PolarHBondContact O-N 3.22Å
656	L	78.2	Confident	77.4	Confident	24 Å²	24	54.2 Å²	54.2	13%	0.126	31%	0.313	C	S	.	.	H	α-helix	trans	-68.5	-22.9	177.3	-67.8	176.1	0	0	0	113.8	V360 Y364 E652 L653 L654 N705 I706	V360-L656 HydrophobicContact CG2-CB 4.39Å; Y364-L656 WeakPolarHBondContact OH-CD1 3.43Å; E652-L656 WeakPolarHBondContact O-CG 3.41Å; E652-L656 PolarHBondContact O-N 3.38Å; L653-L656 PolarHBondContact O-N 3.21Å; L654-L656 VanDerWaalsContact C-N 3.3Å; L654-L656 PolarHBondContact O-N 3.21Å; L656-N705 HydrophobicContact CD2-CB 3.76Å; L656-I706 HydrophobicContact CD1-CG2 4.32Å; L656-I706 HydrophobicContact CD2-CG2 3.36Å; L656-I706 HydrophobicContact CG-CG2 4.48Å
657	Q	80.1	Confident	76.7	Confident	30 Å²	30	57.6 Å²	57.6	14%	0.14	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-10	175.3	-70	178.3	-8.2	0	0	113.4	V360 V567 L653 L654 K655	V360-Q657 HydrophobicContact CG2-CG 3.75Å; V567-Q657 HydrophobicContact CB-CB 4.45Å; V567-Q657 HydrophobicContact CG2-CB 3.83Å; L653-Q657 WeakPolarHBondContact O-CG 3.42Å; L653-Q657 PolarHBondContact O-N 3.12Å; L654-Q657 PolarHBondContact O-N 3.06Å; K655-Q657 VanDerWaalsContact C-N 3.25Å; K655-Q657 PolarHBondContact O-N 3.25Å
658	M	74.4	Confident	75.9	Confident	97 Å²	97	60.9 Å²	60.9	48%	0.478	36%	0.355	S	S	.	.	S	Bend	trans	-70.7	143.8	172.2	-69.1	-75.6	-58.3	0	0	110.1	V567 L654 K655 G660	V567-M658 HydrophobicContact CB-SD 4.41Å; V567-M658 HydrophobicContact CG1-CG 3.78Å; V567-M658 HydrophobicContact CG1-SD 3.03Å; V567-M658 WeakPolarHBondContact CG1-SD 3.43Å; L654-M658 PolarHBondContact O-N 3.47Å; K655-M658 WeakPolarHBondContact O-CB 3.38Å; K655-M658 PolarHBondContact O-N 3.22Å; M658-G660 PolarHBondContact O-N 2.65Å; M658-G660 VanDerWaalsContact O-N 3.09Å
659	P	64.2	Low	75.4	Confident	84 Å²	84	59.1 Å²	59.1	55%	0.545	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-55.5	117.9	163.2	-19.1	31	0	0	0	108.9
660	G	63	Low	75	Confident	13 Å²	13	58.8 Å²	58.8	13%	0.134	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-65.4	168.4	172.7	0	0	0	0	0	111.5	M658	M658-G660 PolarHBondContact O-N 2.65Å; M658-G660 VanDerWaalsContact O-N 3.09Å
661	P	60.3	Low	74.7	Confident	96 Å²	96	61.1 Å²	61.1	62%	0.623	36%	0.358	S	S	*	.	S	Bend	trans	-56.3	152.6	169.3	24.8	-31.9	0	0	0	110.8
662	S	59	Low	74.4	Confident	113 Å²	113	62.8 Å²	62.8	79%	0.79	38%	0.377	S	S	*	.	S	Bend	trans	-37.6	134.4	-171.7	-160.1	0	0	0	0	113.4	A664	S662-A664 PolarHBondContact O-N 3.38Å
663	P	56	Low	74.4	Confident	44 Å²	44	62.6 Å²	62.6	29%	0.286	37%	0.374	S	S	.	.			trans	-56.4	131.5	-169	21.2	-33.3	0	0	0	112	M665 T700	P663-M665 PolarHBondContact O-N 2.87Å; P663-T700 HydrophobicContact CB-CG2 4.14Å
664	A	60.6	Low	74.8	Confident	77 Å²	77	61.6 Å²	61.6	64%	0.636	37%	0.369	S	S	*	.	S	Bend	trans	-75.1	-7.1	170.4	0	0	0	0	0	112.8	S662	S662-A664 PolarHBondContact O-N 3.38Å
665	M	68.3	Low	74.9	Confident	35 Å²	35	62.9 Å²	62.9	17%	0.172	38%	0.384	C	S	.	.	S	Bend	trans	-109.6	136.8	-178	-64.2	173.1	61.7	0	0	110.9	P663 E669 Y673 T700	P663-M665 PolarHBondContact O-N 2.87Å; M665-E669 WeakPolarHBondContact CA-OE2 3.21Å; M665-E669 HydrophobicContact CB-CB 4.49Å; M665-E669 HydrophobicContact CE-CB 4.2Å; M665-Y673 HydrophobicContact CE-CD2 3.44Å; M665-Y673 VanDerWaalsContact CE-CD2 3.44Å; M665-Y673 HydrophobicContact CE-CE2 3.81Å; M665-T700 HydrophobicContact CB-CG2 3.76Å; M665-T700 HydrophobicContact CG-CG2 4.24Å; M665-T700 HydrophobicContact SD-CG2 3.9Å
666	S	73.2	Confident	75.3	Confident	49 Å²	49	59.3 Å²	59.3	34%	0.343	37%	0.372	S	S	.	.			trans	-67.7	154.1	173.2	65.3	0	0	0	0	111.6	S668 E669 S670	S666-S668 PolarHBondContact O-N 3.42Å; S666-S668 PolarHBondContact OG-OG 2.72Å; S666-E669 PolarHBondContact N-OE2 3.39Å; S666-E669 PolarHBondContact O-N 3.11Å; S666-E669 WeakPolarHBondContact OG-CB 3.28Å; S666-E669 WeakPolarHBondContact OG-CG 3.43Å; S666-E669 PolarHBondContact OG-N 3.18Å; S666-E669 PolarHBondContact OG-OE2 3.39Å; S666-S670 PolarHBondContact O-N 3.25Å; S666-S670 PolarHBondContact O-OG 2.85Å
667	L	74.4	Confident	76.2	Confident	104 Å²	104	58.3 Å²	58.3	55%	0.545	37%	0.367	S	S	.	.	H	α-helix	trans	-56.2	-34.4	175.8	-179.7	62.8	0	0	0	112.5	T671	L667-T671 WeakPolarHBondContact O-CB 3.31Å; L667-T671 PolarHBondContact O-N 3.2Å; L667-T671 PolarHBondContact O-OG1 2.94Å
668	S	78	Confident	76.9	Confident	86 Å²	86	58.5 Å²	58.5	60%	0.601	37%	0.37	S	S	*	.	H	α-helix	trans	-62.8	-45	174.3	34.4	0	0	0	0	112.5	S666 T671 A672	S666-S668 PolarHBondContact O-N 3.42Å; S666-S668 PolarHBondContact OG-OG 2.72Å; S668-T671 PolarHBondContact O-N 3.45Å; S668-A672 PolarHBondContact O-N 2.92Å
669	E	82.2	Confident	77.9	Confident	86 Å²	86	55.6 Å²	55.6	40%	0.402	36%	0.357	S	S	.	.	H	α-helix	trans	-67	-45.6	177.2	-73.1	161.7	158.9	0	0	111.2	M665 S666 T671 A672 Y673	M665-E669 WeakPolarHBondContact CA-OE2 3.21Å; M665-E669 HydrophobicContact CB-CB 4.49Å; M665-E669 HydrophobicContact CE-CB 4.2Å; S666-E669 PolarHBondContact N-OE2 3.39Å; S666-E669 PolarHBondContact O-N 3.11Å; S666-E669 WeakPolarHBondContact OG-CB 3.28Å; S666-E669 WeakPolarHBondContact OG-CG 3.43Å; S666-E669 PolarHBondContact OG-N 3.18Å; S666-E669 PolarHBondContact OG-OE2 3.39Å; E669-T671 PolarHBondContact O-N 2.97Å; E669-A672 WeakPolarHBondContact O-CB 3.5Å; E669-A672 PolarHBondContact O-N 2.8Å; E669-Y673 HydrophobicContact CB-CD2 4.39Å; E669-Y673 HydrophobicContact CB-CE2 4.17Å; E669-Y673 WeakPolarHBondContact O-CD2 3.43Å; E669-Y673 PolarHBondContact O-N 2.87Å
670	S	79.4	Confident	79.4	Confident	5 Å²	5	51.9 Å²	51.9	4%	0.035	33%	0.332	C	S	.	.	H	α-helix	trans	-56.6	-38.6	176.2	-63.1	0	0	0	0	112.1	S666 L674 T700	S666-S670 PolarHBondContact O-N 3.25Å; S666-S670 PolarHBondContact O-OG 2.85Å; S670-L674 VanDerWaalsContact O-CB 3.26Å; S670-L674 WeakPolarHBondContact O-CB 2.93Å; S670-L674 WeakPolarHBondContact O-CG 3.42Å; S670-L674 PolarHBondContact O-N 3.35Å; S670-L674 VanDerWaalsContact O-N 3.08Å; S670-T700 WeakPolarHBondContact CB-OG1 3.07Å; S670-T700 WeakPolarHBondContact OG-CG2 3.39Å; S670-T700 PolarHBondContact OG-OG1 2.82Å
671	T	83.8	Confident	81	Confident	54 Å²	54	51.3 Å²	51.3	33%	0.331	33%	0.326	S	S	.	.	H	α-helix	trans	-70.8	-37.3	177.6	-56.7	0	0	0	0	112	L667 S668 E669 G675	L667-T671 WeakPolarHBondContact O-CB 3.31Å; L667-T671 PolarHBondContact O-N 3.2Å; L667-T671 PolarHBondContact O-OG1 2.94Å; S668-T671 PolarHBondContact O-N 3.45Å; E669-T671 PolarHBondContact O-N 2.97Å; T671-G675 PolarHBondContact O-N 2.85Å
672	A	86.2	Confident	82.7	Confident	73 Å²	73	47.1 Å²	47.1	60%	0.603	30%	0.298	S	S	*	.	H	α-helix	trans	-65.8	-45.6	178.3	0	0	0	0	0	112.1	S668 E669	S668-A672 PolarHBondContact O-N 2.92Å; E669-A672 WeakPolarHBondContact O-CB 3.5Å; E669-A672 PolarHBondContact O-N 2.8Å
673	Y	86.8	Confident	84.3	Confident	71 Å²	71	44.1 Å²	44.1	28%	0.278	27%	0.273	S	S	.	.	H	α-helix	trans	-78.1	-38.7	-178	-64.1	-65.1	0	0	0	113.7	L370 Y406 M665 E669 G675	L370-Y673 HydrophobicContact CD2-CD1 3.48Å; L370-Y673 VanDerWaalsContact CD2-CD1 3.48Å; L370-Y673 HydrophobicContact CD2-CD2 4.48Å; L370-Y673 HydrophobicContact CD2-CE1 3.48Å; L370-Y673 VanDerWaalsContact CD2-CE1 3.48Å; L370-Y673 HydrophobicContact CD2-CE2 4.49Å; L370-Y673 HydrophobicContact CD2-CG 4.01Å; Y406-Y673 HydrophobicContact CD2-CE1 4.37Å; Y406-Y673 VanDerWaalsContact CD2-OH 3.26Å; Y406-Y673 WeakPolarHBondContact CD2-OH 3.47Å; Y406-Y673 WeakPolarHBondContact CE2-OH 3.45Å; M665-Y673 HydrophobicContact CE-CD2 3.44Å; M665-Y673 VanDerWaalsContact CE-CD2 3.44Å; M665-Y673 HydrophobicContact CE-CE2 3.81Å; E669-Y673 HydrophobicContact CB-CD2 4.39Å; E669-Y673 HydrophobicContact CB-CE2 4.17Å; E669-Y673 WeakPolarHBondContact O-CD2 3.43Å; E669-Y673 PolarHBondContact O-N 2.87Å; Y673-G675 VanDerWaalsContact C-N 3.33Å
674	L	91.4	Very high	86.1	Confident	1 Å²	1	47 Å²	47	1%	0.005	28%	0.278	C	S	.	.	H	α-helix	trans	-82	-10.2	-178.6	-68	171.3	0	0	0	113.8	L366 S670 D676 L677 F680 R696 I699	L366-L674 HydrophobicContact CB-CD2 4.35Å; L366-L674 HydrophobicContact CD1-CD2 4.21Å; L366-L674 HydrophobicContact CD2-CD2 4.12Å; L366-L674 HydrophobicContact CG-CD2 4.46Å; S670-L674 VanDerWaalsContact O-CB 3.26Å; S670-L674 WeakPolarHBondContact O-CB 2.93Å; S670-L674 WeakPolarHBondContact O-CG 3.42Å; S670-L674 PolarHBondContact O-N 3.35Å; S670-L674 VanDerWaalsContact O-N 3.08Å; L674-D676 CarbonylContact O-C 3.47Å; L674-D676 PolarHBondContact O-N 2.63Å; L674-L677 HydrophobicContact CB-CD2 4.48Å; L674-F680 HydrophobicContact CD2-CD1 3.9Å; L674-F680 HydrophobicContact CD2-CD2 4.35Å; L674-F680 HydrophobicContact CD2-CE1 3.75Å; L674-F680 HydrophobicContact CD2-CE2 4.23Å; L674-F680 HydrophobicContact CD2-CG 4.19Å; L674-F680 HydrophobicContact CD2-CZ 3.92Å; L674-F680 VanDerWaalsContact O-CE2 3.23Å; L674-F680 WeakPolarHBondContact O-CE2 3.21Å; L674-R696 HydrophobicContact CB-CG 4.4Å; L674-R696 HydrophobicContact CD1-CB 3.86Å; L674-R696 HydrophobicContact CD1-CG 3.84Å; L674-I699 HydrophobicContact CD1-CB 4.05Å; L674-I699 HydrophobicContact CD1-CD1 4.32Å; L674-I699 HydrophobicContact CD1-CG2 4.03Å; L674-I699 HydrophobicContact CD2-CG2 3.81Å
675	G	89.4	Confident	87.7	Confident	37 Å²	37	43.5 Å²	43.5	38%	0.381	25%	0.249	S	C	.	.			trans	40.2	-122.1	174.1	0	0	0	0	0	114.5	T671 Y673 R696	T671-G675 PolarHBondContact O-N 2.85Å; Y673-G675 VanDerWaalsContact C-N 3.33Å; G675-R696 PolarHBondContact O-NH2 3.17Å
676	D	92.8	Very high	89	Confident	67 Å²	67	43 Å²	43	36%	0.358	25%	0.247	S	C	.	.	S	Bend	trans	-79.9	113.8	170.3	-169	-20	0	0	0	110.5	L674 T678 D679	L674-D676 CarbonylContact O-C 3.47Å; L674-D676 PolarHBondContact O-N 2.63Å; D676-T678 PolarHBondContact O-N 3.3Å; D676-T678 WeakPolarHBondContact OD1-CB 3.18Å; D676-T678 WeakPolarHBondContact OD1-CG2 3.24Å; D676-T678 PolarHBondContact OD1-N 3.39Å; D676-T678 PolarHBondContact OD1-OG1 2.85Å; D676-T678 PolarHBondContact OD2-OG1 3.12Å; D676-D679 WeakPolarHBondContact O-CB 3.45Å; D676-D679 PolarHBondContact O-N 3.18Å
677	L	95.9	Very high	90	Very high	3 Å²	3	49.3 Å²	49.3	2%	0.016	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-58.8	-19.5	179.5	-73	169.6	0	0	0	113.9	L674 D679 F680 C681 I686 K692 L695 R696 I699	L674-L677 HydrophobicContact CB-CD2 4.48Å; L677-D679 PolarHBondContact O-N 2.93Å; L677-F680 PolarHBondContact O-N 3.39Å; L677-F680 VanDerWaalsContact O-N 3.08Å; L677-C681 PolarHBondContact O-N 3.46Å; L677-I686 HydrophobicContact CB-CD1 3.98Å; L677-I686 HydrophobicContact CB-CG1 4.3Å; L677-K692 HydrophobicContact CD1-CB 3.71Å; L677-K692 HydrophobicContact CD1-CD 4.37Å; L677-K692 HydrophobicContact CD1-CG 3.93Å; L677-L695 HydrophobicContact CD1-CD2 4.34Å; L677-R696 HydrophobicContact CD1-CG 4.26Å; L677-R696 HydrophobicContact CD2-CG 3.88Å; L677-R696 HydrophobicContact CG-CG 4.36Å; L677-I699 HydrophobicContact CD2-CD1 4.09Å
678	T	95.5	Very high	90.9	Very high	33 Å²	33	51.4 Å²	51.4	20%	0.202	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-66.7	-16.2	176.1	61.2	0	0	0	0	113.5	A259 D676 F680 I686	A259-T678 WeakPolarHBondContact CB-O 3.45Å; D676-T678 PolarHBondContact O-N 3.3Å; D676-T678 WeakPolarHBondContact OD1-CB 3.18Å; D676-T678 WeakPolarHBondContact OD1-CG2 3.24Å; D676-T678 PolarHBondContact OD1-N 3.39Å; D676-T678 PolarHBondContact OD1-OG1 2.85Å; D676-T678 PolarHBondContact OD2-OG1 3.12Å; T678-F680 VanDerWaalsContact C-N 3.32Å; T678-I686 HydrophobicContact CG2-CD1 3.71Å
679	D	95.7	Very high	91.5	Very high	37 Å²	37	48 Å²	48	20%	0.198	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-79	-16.2	172.7	-67.5	-35	0	0	0	113	S258 A259 Q365 D676 L677	S258-D679 WeakPolarHBondContact CA-OD1 3.36Å; A259-D679 WeakPolarHBondContact CB-OD1 3.31Å; A259-D679 PolarHBondContact N-OD1 3.18Å; Q365-D679 PolarHBondContact NE2-O 3.26Å; Q365-D679 PolarHBondContact OE1-O 2.8Å; D676-D679 WeakPolarHBondContact O-CB 3.45Å; D676-D679 PolarHBondContact O-N 3.18Å; L677-D679 PolarHBondContact O-N 2.93Å
680	F	96.4	Very high	91.8	Very high	6 Å²	6	55.4 Å²	55.4	3%	0.026	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.7	-30.3	-175.5	-66	-95.8	0	0	0	113.2	A362 Q365 L366 E369 L674 L677 T678	A362-F680 HydrophobicContact CB-CB 4.01Å; A362-F680 HydrophobicContact CB-CD1 4.39Å; Q365-F680 HydrophobicContact CB-CD1 4.14Å; Q365-F680 HydrophobicContact CB-CE1 4.33Å; Q365-F680 VanDerWaalsContact CD-CD1 3.5Å; Q365-F680 HydrophobicContact CG-CD1 3.77Å; Q365-F680 HydrophobicContact CG-CE1 3.7Å; L366-F680 HydrophobicContact CB-CE1 4.26Å; E369-F680 VanDerWaalsContact OE2-CZ 3.24Å; E369-F680 WeakPolarHBondContact OE2-CZ 3.4Å; L674-F680 HydrophobicContact CD2-CD1 3.9Å; L674-F680 HydrophobicContact CD2-CD2 4.35Å; L674-F680 HydrophobicContact CD2-CE1 3.75Å; L674-F680 HydrophobicContact CD2-CE2 4.23Å; L674-F680 HydrophobicContact CD2-CG 4.19Å; L674-F680 HydrophobicContact CD2-CZ 3.92Å; L674-F680 VanDerWaalsContact O-CE2 3.23Å; L674-F680 WeakPolarHBondContact O-CE2 3.21Å; L677-F680 PolarHBondContact O-N 3.39Å; L677-F680 VanDerWaalsContact O-N 3.08Å; T678-F680 VanDerWaalsContact C-N 3.32Å
681	C	96.6	Very high	92.5	Very high	1 Å²	1	57.3 Å²	57.3	1%	0.007	28%	0.282	C	S	.	.	S	Bend	trans	-133	143.8	-172.2	-68.3	0	0	0	0	110.7	M358 L677 I686	M358-C681 HydrophobicContact CG-CB 4.03Å; L677-C681 PolarHBondContact O-N 3.46Å; C681-I686 HydrophobicContact CB-CD1 4.11Å; C681-I686 HydrophobicContact CB-CG1 3.76Å; C681-I686 WeakPolarHBondContact O-CD1 3.4Å
682	N	94.3	Very high	92.9	Very high	7 Å²	7	60.5 Å²	60.5	4%	0.037	29%	0.291	C	S	.	.			trans	-69.2	156.6	173.4	77.6	18.4	0	0	0	111.6	L346 M358 R684 I685 I686	L346-N682 WeakPolarHBondContact O-CB 3.43Å; M358-N682 HydrophobicContact CE-CB 4.14Å; N682-R684 PolarHBondContact O-N 3.13Å; N682-R684 VanDerWaalsContact O-N 3.08Å; N682-R684 WeakPolarHBondContact OD1-CB 3.26Å; N682-R684 PolarHBondContact OD1-N 3.19Å; N682-I685 PolarHBondContact O-N 2.67Å; N682-I685 VanDerWaalsContact O-N 3.11Å; N682-I685 VanDerWaalsContact OD1-CG1 3.31Å; N682-I685 WeakPolarHBondContact OD1-CG1 3.43Å; N682-I685 PolarHBondContact OD1-N 2.81Å; N682-I686 PolarHBondContact O-N 3.15Å; N682-I686 VanDerWaalsContact O-N 3.16Å
683	D	93.4	Very high	93.2	Very high	50 Å²	50	60.7 Å²	60.7	27%	0.267	28%	0.283	S	S	.	.	H	α-helix	trans	-61.3	-26.7	-175.1	-50	-36.8	0	0	0	113.1	K270 R687	K270-D683 IonicContact NZ-OD1 2.98Å; K270-D683 IonicContact NZ-OD2 2.84Å; K270-D683 PolarHBondContact NZ-OD2 3.27Å; D683-R687 WeakPolarHBondContact O-CB 3.37Å; D683-R687 VanDerWaalsContact O-CG 3.31Å; D683-R687 WeakPolarHBondContact O-CG 3.31Å; D683-R687 PolarHBondContact O-N 3.19Å
684	R	93.9	Very high	93.4	Very high	105 Å²	105	59.9 Å²	59.9	40%	0.396	29%	0.285	S	S	.	.	H	α-helix	trans	-64.5	-47.1	178.1	-178.7	-178.4	74.8	-170.3	0.2	110.5	D352 C353 N682 K688	D352-R684 IonicContact OD1-CZ 3.64Å; D352-R684 IonicContact OD1-NH1 3.54Å; D352-R684 PolarHBondContact OD1-NH1 3.21Å; D352-R684 IonicContact OD1-NH2 3.71Å; D352-R684 PolarHBondContact OD1-NH2 3.19Å; C353-R684 PolarHBondContact O-NH2 3.09Å; N682-R684 PolarHBondContact O-N 3.13Å; N682-R684 VanDerWaalsContact O-N 3.08Å; N682-R684 WeakPolarHBondContact OD1-CB 3.26Å; N682-R684 PolarHBondContact OD1-N 3.19Å; R684-K688 WeakPolarHBondContact O-CB 3.4Å; R684-K688 PolarHBondContact O-N 3.49Å; R684-K688 VanDerWaalsContact O-N 3.09Å
685	I	94.3	Very high	93.5	Very high	4 Å²	4	59.9 Å²	59.9	2%	0.021	29%	0.285	C	S	.	.	H	α-helix	trans	-66.8	-44.3	178.6	-65	-49.2	0	0	0	110.4	E355 M358 N682 R687 K688 A689 L695	E355-I685 HydrophobicContact CB-CD1 4.11Å; E355-I685 HydrophobicContact CG-CG2 4.11Å; M358-I685 HydrophobicContact CB-CG1 4.04Å; M358-I685 HydrophobicContact CB-CG2 4.31Å; M358-I685 HydrophobicContact CE-CG1 4.45Å; M358-I685 HydrophobicContact CG-CB 4.33Å; M358-I685 HydrophobicContact CG-CG1 4.06Å; M358-I685 HydrophobicContact CG-CG2 4.15Å; N682-I685 PolarHBondContact O-N 2.67Å; N682-I685 VanDerWaalsContact O-N 3.11Å; N682-I685 VanDerWaalsContact OD1-CG1 3.31Å; N682-I685 WeakPolarHBondContact OD1-CG1 3.43Å; N682-I685 PolarHBondContact OD1-N 2.81Å; I685-R687 VanDerWaalsContact C-N 3.32Å; I685-R687 PolarHBondContact O-N 3.08Å; I685-K688 PolarHBondContact O-N 3.15Å; I685-K688 VanDerWaalsContact O-N 3.13Å; I685-A689 PolarHBondContact O-N 3.16Å; I685-L695 HydrophobicContact CG2-CD2 4.45Å
686	I	95.2	Very high	93.7	Very high	25 Å²	25	59.6 Å²	59.6	13%	0.128	27%	0.272	C	S	.	.	H	α-helix	trans	-60	-42.1	178.8	-61.9	169.5	0	0	0	111.5	L677 T678 C681 N682 L695	L677-I686 HydrophobicContact CB-CD1 3.98Å; L677-I686 HydrophobicContact CB-CG1 4.3Å; T678-I686 HydrophobicContact CG2-CD1 3.71Å; C681-I686 HydrophobicContact CB-CD1 4.11Å; C681-I686 HydrophobicContact CB-CG1 3.76Å; C681-I686 WeakPolarHBondContact O-CD1 3.4Å; N682-I686 PolarHBondContact O-N 3.15Å; N682-I686 VanDerWaalsContact O-N 3.16Å; I686-L695 HydrophobicContact CG1-CD2 4.37Å
687	R	94.6	Very high	93.6	Very high	181 Å²	181	60.8 Å²	60.8	68%	0.683	28%	0.276	S	S	*	.	H	α-helix	trans	-70.8	-29.4	177.5	-75.2	-171	-61	-94.4	-3.2	113.7	D683 I685	D683-R687 WeakPolarHBondContact O-CB 3.37Å; D683-R687 VanDerWaalsContact O-CG 3.31Å; D683-R687 WeakPolarHBondContact O-CG 3.31Å; D683-R687 PolarHBondContact O-N 3.19Å; I685-R687 VanDerWaalsContact C-N 3.32Å; I685-R687 PolarHBondContact O-N 3.08Å
688	K	92.4	Very high	93.4	Very high	148 Å²	148	63.8 Å²	63.8	64%	0.643	29%	0.287	S	S	*	.	H	α-helix	trans	-82.7	-27.1	-179.2	-171.7	-178	174.6	-168.6	0	112.2	R684 I685	R684-K688 WeakPolarHBondContact O-CB 3.4Å; R684-K688 PolarHBondContact O-N 3.49Å; R684-K688 VanDerWaalsContact O-N 3.09Å; I685-K688 PolarHBondContact O-N 3.15Å; I685-K688 VanDerWaalsContact O-N 3.13Å
689	A	90.8	Very high	93.3	Very high	14 Å²	14	62.2 Å²	62.2	12%	0.116	28%	0.277	C	S	.	.	S	Bend	trans	-59.5	143.1	178.4	0	0	0	0	0	111.6	I685 S691 L695	I685-A689 PolarHBondContact O-N 3.16Å; A689-S691 VanDerWaalsContact C-N 3.27Å; A689-S691 PolarHBondContact O-N 2.85Å; A689-L695 HydrophobicContact CB-CB 4.11Å; A689-L695 HydrophobicContact CB-CD2 4.12Å
690	R	90	Very high	93.1	Very high	241 Å²	241	60.5 Å²	60.5	91%	0.909	27%	0.268	S	S	*	.	S	Bend	trans	-56.4	-41.6	-179.6	-68.1	-176	179	-135.5	1.9	112.7
691	S	92.7	Very high	92.7	Very high	46 Å²	46	61.9 Å²	61.9	32%	0.322	28%	0.275	S	S	.	.			trans	-156.5	160.8	171.6	78.4	0	0	0	0	109	A689 D693 T694 L695	A689-S691 VanDerWaalsContact C-N 3.27Å; A689-S691 PolarHBondContact O-N 2.85Å; S691-D693 VanDerWaalsContact C-N 3.27Å; S691-D693 PolarHBondContact O-N 2.88Å; S691-D693 PolarHBondContact OG-N 2.88Å; S691-T694 PolarHBondContact O-N 3.42Å; S691-T694 WeakPolarHBondContact OG-CB 3.44Å; S691-T694 PolarHBondContact OG-N 2.76Å; S691-T694 PolarHBondContact OG-OG1 3.07Å; S691-L695 PolarHBondContact O-N 3.14Å; S691-L695 VanDerWaalsContact O-N 3.12Å
692	K	93.5	Very high	92.4	Very high	120 Å²	120	62.2 Å²	62.2	52%	0.522	28%	0.277	S	S	.	.	H	α-helix	trans	-61.8	-37.4	174.2	-69.9	-173.9	178.5	-176.7	0	111.7	L677 L695 R696	L677-K692 HydrophobicContact CD1-CB 3.71Å; L677-K692 HydrophobicContact CD1-CD 4.37Å; L677-K692 HydrophobicContact CD1-CG 3.93Å; K692-L695 PolarHBondContact O-N 2.81Å; K692-R696 WeakPolarHBondContact O-CG 3.37Å; K692-R696 PolarHBondContact O-N 2.8Å
693	D	92	Very high	92.2	Very high	78 Å²	78	62.5 Å²	62.5	42%	0.417	28%	0.278	S	S	.	.	H	α-helix	trans	-73.3	-37.7	-177.9	-59.4	-34.1	0	0	0	112	S691 L695 R696 Q697	S691-D693 VanDerWaalsContact C-N 3.27Å; S691-D693 PolarHBondContact O-N 2.88Å; S691-D693 PolarHBondContact OG-N 2.88Å; D693-L695 VanDerWaalsContact C-N 3.28Å; D693-L695 PolarHBondContact O-N 3.48Å; D693-R696 PolarHBondContact O-N 3.22Å; D693-R696 IonicContact OD1-NH1 2.9Å; D693-R696 PolarHBondContact OD1-NH1 2.93Å; D693-Q697 WeakPolarHBondContact O-CB 3.08Å; D693-Q697 PolarHBondContact O-N 3.02Å
694	T	91.1	Very high	92	Very high	53 Å²	53	61 Å²	61	33%	0.325	27%	0.272	S	S	.	.	H	α-helix	trans	-60.8	-40	170.5	-52.5	0	0	0	0	111	S691 Q697 R698	S691-T694 PolarHBondContact O-N 3.42Å; S691-T694 WeakPolarHBondContact OG-CB 3.44Å; S691-T694 PolarHBondContact OG-N 2.76Å; S691-T694 PolarHBondContact OG-OG1 3.07Å; T694-Q697 PolarHBondContact O-N 3.19Å; T694-R698 VanDerWaalsContact O-CG 3.29Å; T694-R698 WeakPolarHBondContact O-CG 3.47Å; T694-R698 PolarHBondContact O-N 3.41Å
695	L	93.2	Very high	91.6	Very high	2 Å²	2	58.8 Å²	58.8	1%	0.01	27%	0.267	C	S	.	.	H	α-helix	trans	-65.8	-43.4	176.2	-175.8	57.9	0	0	0	111.6	V359 L677 I685 I686 A689 S691 K692 D693 Q697 R698 I699	V359-L695 HydrophobicContact CG2-CD1 3.84Å; L677-L695 HydrophobicContact CD1-CD2 4.34Å; I685-L695 HydrophobicContact CG2-CD2 4.45Å; I686-L695 HydrophobicContact CG1-CD2 4.37Å; A689-L695 HydrophobicContact CB-CB 4.11Å; A689-L695 HydrophobicContact CB-CD2 4.12Å; S691-L695 PolarHBondContact O-N 3.14Å; S691-L695 VanDerWaalsContact O-N 3.12Å; K692-L695 PolarHBondContact O-N 2.81Å; D693-L695 VanDerWaalsContact C-N 3.28Å; D693-L695 PolarHBondContact O-N 3.48Å; L695-Q697 VanDerWaalsContact C-N 3.33Å; L695-Q697 PolarHBondContact O-N 3.48Å; L695-R698 PolarHBondContact O-N 3.33Å; L695-I699 HydrophobicContact CD1-CD1 4.38Å; L695-I699 HydrophobicContact CG-CD1 4.09Å; L695-I699 VanDerWaalsContact O-CG1 3.3Å; L695-I699 WeakPolarHBondContact O-CG1 3.49Å; L695-I699 PolarHBondContact O-N 2.8Å
696	R	94	Very high	91.4	Very high	30 Å²	30	59 Å²	59	11%	0.113	27%	0.268	C	S	.	.	H	α-helix	trans	-58.3	-44.6	174.3	-73.6	-177.5	-178.9	111.6	-1.9	112.4	L674 G675 L677 K692 D693 I699 T700	L674-R696 HydrophobicContact CB-CG 4.4Å; L674-R696 HydrophobicContact CD1-CB 3.86Å; L674-R696 HydrophobicContact CD1-CG 3.84Å; G675-R696 PolarHBondContact O-NH2 3.17Å; L677-R696 HydrophobicContact CD1-CG 4.26Å; L677-R696 HydrophobicContact CD2-CG 3.88Å; L677-R696 HydrophobicContact CG-CG 4.36Å; K692-R696 WeakPolarHBondContact O-CG 3.37Å; K692-R696 PolarHBondContact O-N 2.8Å; D693-R696 PolarHBondContact O-N 3.22Å; D693-R696 IonicContact OD1-NH1 2.9Å; D693-R696 PolarHBondContact OD1-NH1 2.93Å; R696-I699 PolarHBondContact O-N 3.48Å; R696-T700 WeakPolarHBondContact O-CB 3.19Å; R696-T700 PolarHBondContact O-N 2.81Å; R696-T700 PolarHBondContact O-OG1 3.41Å
697	Q	90.6	Very high	91	Very high	93 Å²	93	65 Å²	65	44%	0.435	29%	0.289	S	S	.	.	H	α-helix	trans	-59.5	-48	177.4	-176.1	-175.9	-14.5	0	0	110.8	D693 T694 L695 I699 T700 E701	D693-Q697 WeakPolarHBondContact O-CB 3.08Å; D693-Q697 PolarHBondContact O-N 3.02Å; T694-Q697 PolarHBondContact O-N 3.19Å; L695-Q697 VanDerWaalsContact C-N 3.33Å; L695-Q697 PolarHBondContact O-N 3.48Å; Q697-I699 VanDerWaalsContact C-N 3.34Å; Q697-I699 PolarHBondContact O-N 3.12Å; Q697-T700 WeakPolarHBondContact O-CB 3.18Å; Q697-T700 PolarHBondContact O-N 3.49Å; Q697-T700 VanDerWaalsContact O-N 3.11Å; Q697-E701 WeakPolarHBondContact CG-OE1 3.41Å; Q697-E701 PolarHBondContact NE2-OE1 3.03Å; Q697-E701 WeakPolarHBondContact O-CG 3.46Å; Q697-E701 PolarHBondContact O-N 3.23Å
698	R	90.6	Very high	90.7	Very high	66 Å²	66	62.5 Å²	62.5	25%	0.249	29%	0.29	C	S	.	.	H	α-helix	trans	-61.1	-39.8	178.2	-70.9	179.2	64.5	-171.9	0.2	113.3	E355 D356 V359 T694 L695 T700 E701 A702	E355-R698 IonicContact OE1-CZ 3.66Å; E355-R698 IonicContact OE1-NH1 3.82Å; E355-R698 PolarHBondContact OE1-NH1 2.95Å; D356-R698 IonicContact OD1-CZ 3.18Å; D356-R698 IonicContact OD1-NH2 2.72Å; D356-R698 PolarHBondContact OD1-NH2 2.81Å; V359-R698 HydrophobicContact CG1-CB 4.3Å; V359-R698 WeakPolarHBondContact CG1-O 3.46Å; V359-R698 HydrophobicContact CG2-CB 4.34Å; T694-R698 VanDerWaalsContact O-CG 3.29Å; T694-R698 WeakPolarHBondContact O-CG 3.47Å; T694-R698 PolarHBondContact O-N 3.41Å; L695-R698 PolarHBondContact O-N 3.33Å; R698-T700 VanDerWaalsContact C-N 3.32Å; R698-E701 PolarHBondContact O-N 3.27Å; R698-A702 PolarHBondContact O-N 3.26Å
699	I	93.4	Very high	90.7	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-63.6	-41.9	175	-64.8	164.3	0	0	0	110.4	V359 A362 L366 L674 L677 L695 R696 Q697 A702 H703	V359-I699 HydrophobicContact CG1-CG1 4.32Å; V359-I699 HydrophobicContact CG2-CG1 4.39Å; A362-I699 HydrophobicContact CB-CD1 3.78Å; A362-I699 HydrophobicContact CB-CG1 3.84Å; A362-I699 HydrophobicContact CB-CG2 3.92Å; L366-I699 HydrophobicContact CD2-CG2 4.48Å; L674-I699 HydrophobicContact CD1-CB 4.05Å; L674-I699 HydrophobicContact CD1-CD1 4.32Å; L674-I699 HydrophobicContact CD1-CG2 4.03Å; L674-I699 HydrophobicContact CD2-CG2 3.81Å; L677-I699 HydrophobicContact CD2-CD1 4.09Å; L695-I699 HydrophobicContact CD1-CD1 4.38Å; L695-I699 HydrophobicContact CG-CD1 4.09Å; L695-I699 VanDerWaalsContact O-CG1 3.3Å; L695-I699 WeakPolarHBondContact O-CG1 3.49Å; L695-I699 PolarHBondContact O-N 2.8Å; R696-I699 PolarHBondContact O-N 3.48Å; Q697-I699 VanDerWaalsContact C-N 3.34Å; Q697-I699 PolarHBondContact O-N 3.12Å; I699-A702 PolarHBondContact O-N 3Å; I699-H703 WeakPolarHBondContact O-CB 3.32Å; I699-H703 PolarHBondContact O-N 2.85Å
700	T	91.7	Very high	90.8	Very high	1 Å²	1	57.3 Å²	57.3	1%	0.006	27%	0.273	C	S	.	.	H	α-helix	trans	-65.1	-42.5	177.7	-53.8	0	0	0	0	111.5	P663 M665 S670 R696 Q697 R698 A702 H703 V704	P663-T700 HydrophobicContact CB-CG2 4.14Å; M665-T700 HydrophobicContact CB-CG2 3.76Å; M665-T700 HydrophobicContact CG-CG2 4.24Å; M665-T700 HydrophobicContact SD-CG2 3.9Å; S670-T700 WeakPolarHBondContact CB-OG1 3.07Å; S670-T700 WeakPolarHBondContact OG-CG2 3.39Å; S670-T700 PolarHBondContact OG-OG1 2.82Å; R696-T700 WeakPolarHBondContact O-CB 3.19Å; R696-T700 PolarHBondContact O-N 2.81Å; R696-T700 PolarHBondContact O-OG1 3.41Å; Q697-T700 WeakPolarHBondContact O-CB 3.18Å; Q697-T700 PolarHBondContact O-N 3.49Å; Q697-T700 VanDerWaalsContact O-N 3.11Å; R698-T700 VanDerWaalsContact C-N 3.32Å; T700-A702 PolarHBondContact O-N 3.48Å; T700-H703 WeakPolarHBondContact O-CB 3.36Å; T700-H703 PolarHBondContact O-N 3.05Å; T700-V704 WeakPolarHBondContact O-CG2 3.34Å; T700-V704 PolarHBondContact O-N 3.01Å
701	E	88.9	Confident	91	Very high	34 Å²	34	47.9 Å²	47.9	16%	0.159	24%	0.24	C	C	.	.	H	α-helix	trans	-61.8	-42	175.7	-72.8	167.8	-175.4	0	0	111.9	Q697 R698	Q697-E701 WeakPolarHBondContact CG-OE1 3.41Å; Q697-E701 PolarHBondContact NE2-OE1 3.03Å; Q697-E701 WeakPolarHBondContact O-CG 3.46Å; Q697-E701 PolarHBondContact O-N 3.23Å; R698-E701 PolarHBondContact O-N 3.27Å
702	A	89.8	Confident	91.1	Very high	8 Å²	8	47.7 Å²	47.7	7%	0.066	24%	0.235	C	C	.	.	H	α-helix	trans	-67.6	-35.9	175	0	0	0	0	0	112.3	V359 A363 R698 I699 T700 V704 N705	V359-A702 HydrophobicContact CG1-CB 3.84Å; A363-A702 HydrophobicContact CB-CB 3.89Å; R698-A702 PolarHBondContact O-N 3.26Å; I699-A702 PolarHBondContact O-N 3Å; T700-A702 PolarHBondContact O-N 3.48Å; A702-V704 VanDerWaalsContact C-N 3.32Å; A702-V704 PolarHBondContact O-N 2.76Å; A702-N705 PolarHBondContact O-N 3.02Å
703	H	91.1	Very high	91.1	Very high	13 Å²	13	46.3 Å²	46.3	6%	0.06	23%	0.231	C	C	.	.	H	α-helix	trans	-62.3	-35.1	177.7	172.5	-96.5	0	0	0	113.1	A363 L366 Q367 I699 T700 N705 I706 R707	A363-H703 HydrophobicContact CB-CB 4.27Å; L366-H703 HydrophobicContact CD2-CB 4.04Å; Q367-H703 PolarHBondContact OE1-NE2 3.26Å; I699-H703 WeakPolarHBondContact O-CB 3.32Å; I699-H703 PolarHBondContact O-N 2.85Å; T700-H703 WeakPolarHBondContact O-CB 3.36Å; T700-H703 PolarHBondContact O-N 3.05Å; H703-N705 PolarHBondContact O-N 3.3Å; H703-N705 VanDerWaalsContact O-N 3.09Å; H703-I706 VanDerWaalsContact O-CG1 3.28Å; H703-I706 WeakPolarHBondContact O-CG1 3.37Å; H703-I706 PolarHBondContact O-N 3.16Å; H703-R707 PolarHBondContact O-N 3.46Å; H703-R707 VanDerWaalsContact O-N 3.16Å
704	V	88.1	Confident	91.3	Very high	20 Å²	20	42.6 Å²	42.6	12%	0.121	21%	0.211	C	C	.	.	H	α-helix	trans	-53.1	-35	176.8	173.4	0	0	0	0	112.1	T700 A702 I706 R707	T700-V704 WeakPolarHBondContact O-CG2 3.34Å; T700-V704 PolarHBondContact O-N 3.01Å; A702-V704 VanDerWaalsContact C-N 3.32Å; A702-V704 PolarHBondContact O-N 2.76Å; V704-I706 VanDerWaalsContact C-N 3.29Å; V704-I706 PolarHBondContact O-N 2.88Å; V704-R707 WeakPolarHBondContact O-CG 3.45Å
705	N	85.3	Confident	91.6	Very high	58 Å²	58	40.3 Å²	40.3	31%	0.31	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-9.8	-177.9	-62.7	-35.9	0	0	0	114.3	L656 A702 H703	L656-N705 HydrophobicContact CD2-CB 3.76Å; A702-N705 PolarHBondContact O-N 3.02Å; H703-N705 PolarHBondContact O-N 3.3Å; H703-N705 VanDerWaalsContact O-N 3.09Å
706	I	89.6	Confident	91.7	Very high	8 Å²	8	42.8 Å²	42.8	4%	0.041	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-132.7	10.7	-173.4	59.5	166.3	0	0	0	113.7	A363 Y364 Q367 L656 H703 V704 D708 L709	A363-I706 VanDerWaalsContact C-CD1 3.42Å; A363-I706 HydrophobicContact CB-CD1 3.79Å; A363-I706 WeakPolarHBondContact O-CD1 3.45Å; Y364-I706 HydrophobicContact CD1-CD1 3.61Å; Y364-I706 HydrophobicContact CE1-CD1 4.11Å; Y364-I706 HydrophobicContact CE1-CG2 4.05Å; Y364-I706 HydrophobicContact CG-CD1 4.18Å; Q367-I706 HydrophobicContact CB-CD1 4.26Å; L656-I706 HydrophobicContact CD1-CG2 4.32Å; L656-I706 HydrophobicContact CD2-CG2 3.36Å; L656-I706 HydrophobicContact CG-CG2 4.48Å; H703-I706 VanDerWaalsContact O-CG1 3.28Å; H703-I706 WeakPolarHBondContact O-CG1 3.37Å; H703-I706 PolarHBondContact O-N 3.16Å; V704-I706 VanDerWaalsContact C-N 3.29Å; V704-I706 PolarHBondContact O-N 2.88Å; I706-D708 PolarHBondContact O-N 3.38Å; I706-L709 HydrophobicContact CB-CD1 3.82Å; I706-L709 HydrophobicContact CB-CG 4.22Å; I706-L709 HydrophobicContact CG2-CD1 4.13Å; I706-L709 WeakPolarHBondContact O-CB 3.49Å; I706-L709 WeakPolarHBondContact O-CG 3.19Å; I706-L709 PolarHBondContact O-N 3.46Å; I706-L709 VanDerWaalsContact O-N 3.16Å
707	R	87	Confident	91.8	Very high	150 Å²	150	44 Å²	44	57%	0.566	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-18.5	-174.3	66.2	-175.3	177	177.9	-1.2	114.4	Q367 H703 V704	Q367-R707 VanDerWaalsContact NE2-C 3.35Å; Q367-R707 PolarHBondContact NE2-O 3.4Å; H703-R707 PolarHBondContact O-N 3.46Å; H703-R707 VanDerWaalsContact O-N 3.16Å; V704-R707 WeakPolarHBondContact O-CG 3.45Å
708	D	89.1	Confident	92.1	Very high	129 Å²	129	39.6 Å²	39.6	69%	0.69	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-14.3	178.7	60.2	-33.6	0	0	0	113.5	I706 G710	I706-D708 PolarHBondContact O-N 3.38Å; D708-G710 PolarHBondContact O-N 3.46Å
709	L	93.2	Very high	92.4	Very high	28 Å²	28	36.7 Å²	36.7	15%	0.147	18%	0.181	C	C	.	.			trans	-64.8	132.7	178.5	-62.6	-177.8	0	0	0	111.5	Y364 Q367 I706 E713 A714 K717	Y364-L709 HydrophobicContact CD1-CD1 4.19Å; Y364-L709 HydrophobicContact CE1-CD1 3.84Å; Q367-L709 HydrophobicContact CG-CB 4.39Å; Q367-L709 PolarHBondContact NE2-O 3.09Å; I706-L709 HydrophobicContact CB-CD1 3.82Å; I706-L709 HydrophobicContact CB-CG 4.22Å; I706-L709 HydrophobicContact CG2-CD1 4.13Å; I706-L709 WeakPolarHBondContact O-CB 3.49Å; I706-L709 WeakPolarHBondContact O-CG 3.19Å; I706-L709 PolarHBondContact O-N 3.46Å; I706-L709 VanDerWaalsContact O-N 3.16Å; L709-E713 HydrophobicContact CB-CB 4.45Å; L709-A714 HydrophobicContact CB-CB 4.29Å; L709-K717 HydrophobicContact CD1-CG 4.31Å
710	G	92.7	Very high	92.4	Very high	25 Å²	25	38.7 Å²	38.7	26%	0.258	19%	0.19	S	C	.	.			trans	-65.4	164.1	170.4	0	0	0	0	0	112.4	D708 L712 E713 A714	D708-G710 PolarHBondContact O-N 3.46Å; G710-L712 VanDerWaalsContact C-N 3.33Å; G710-L712 PolarHBondContact O-N 3.11Å; G710-E713 PolarHBondContact N-OE2 3.2Å; G710-E713 PolarHBondContact O-N 3.35Å; G710-A714 WeakPolarHBondContact O-CB 3.48Å; G710-A714 PolarHBondContact O-N 3.25Å
711	L	93.4	Very high	92.5	Very high	44 Å²	44	38.9 Å²	38.9	23%	0.23	19%	0.192	C	C	.	.	H	α-helix	trans	-51	-49.9	-178.5	177.1	56.6	0	0	0	112.9	A368 Q371 K715	A368-L711 HydrophobicContact CB-CD1 4.06Å; A368-L711 WeakPolarHBondContact O-CD1 3.29Å; Q371-L711 HydrophobicContact CB-CB 3.83Å; Q371-L711 HydrophobicContact CB-CD1 4.14Å; L711-K715 HydrophobicContact CD1-CD 4.48Å; L711-K715 WeakPolarHBondContact O-CG 3.29Å; L711-K715 PolarHBondContact O-N 3.39Å
712	L	93.9	Very high	92.8	Very high	41 Å²	41	37.3 Å²	37.3	22%	0.215	18%	0.184	C	C	.	.	H	α-helix	trans	-74.4	-34.6	-176	-169.2	61.9	0	0	0	112.2	L328 A332 I335 G710 K715 Y716	L328-L712 HydrophobicContact CB-CD2 3.99Å; L328-L712 HydrophobicContact CG-CD2 4.23Å; L328-L712 HydrophobicContact CG-CG 4.36Å; L328-L712 WeakPolarHBondContact O-CD2 3.25Å; A332-L712 HydrophobicContact CB-CD1 4.45Å; A332-L712 HydrophobicContact CB-CD2 4.23Å; I335-L712 HydrophobicContact CB-CD1 3.82Å; I335-L712 HydrophobicContact CD1-CD1 4Å; I335-L712 HydrophobicContact CD1-CD2 4.24Å; I335-L712 HydrophobicContact CD1-CG 4.1Å; I335-L712 HydrophobicContact CG2-CD1 3.63Å; I335-L712 HydrophobicContact CG2-CG 4.45Å; G710-L712 VanDerWaalsContact C-N 3.33Å; G710-L712 PolarHBondContact O-N 3.11Å; L712-K715 PolarHBondContact O-N 3.26Å; L712-Y716 WeakPolarHBondContact O-CB 3.33Å; L712-Y716 PolarHBondContact O-N 2.99Å
713	E	94.8	Very high	92.9	Very high	92 Å²	92	40.1 Å²	40.1	43%	0.43	20%	0.196	S	C	.	.	H	α-helix	trans	-65.7	-42.4	176	-67.5	170	161	0	0	111.4	L328 L709 G710 K715 Y716 K717	L328-E713 HydrophobicContact CD2-CG 3.61Å; L709-E713 HydrophobicContact CB-CB 4.45Å; G710-E713 PolarHBondContact N-OE2 3.2Å; G710-E713 PolarHBondContact O-N 3.35Å; E713-K715 PolarHBondContact O-N 3.25Å; E713-Y716 PolarHBondContact O-N 3.27Å; E713-K717 WeakPolarHBondContact O-CB 3.35Å; E713-K717 WeakPolarHBondContact O-CG 3.28Å; E713-K717 PolarHBondContact O-N 2.83Å
714	A	95.9	Very high	92.7	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-60.1	-45.1	174.9	0	0	0	0	0	111.4	Q367 A368 L709 G710 Y718	Q367-A714 HydrophobicContact CB-CB 4.31Å; Q367-A714 HydrophobicContact CG-CB 3.97Å; A368-A714 HydrophobicContact CB-CB 4.39Å; L709-A714 HydrophobicContact CB-CB 4.29Å; G710-A714 WeakPolarHBondContact O-CB 3.48Å; G710-A714 PolarHBondContact O-N 3.25Å; A714-Y718 WeakPolarHBondContact O-CB 3.36Å; A714-Y718 PolarHBondContact O-N 3.21Å
715	K	97	Very high	92.7	Very high	4 Å²	4	41.2 Å²	41.2	2%	0.017	20%	0.198	C	C	.	.	H	α-helix	trans	-61.6	-44.1	174.3	-69.6	174.4	178.9	171.3	0	111.6	A251 C253 I335 H336 Y339 A368 L711 L712 E713 Y718 V719	A251-K715 PolarHBondContact O-NZ 3.35Å; C253-K715 WeakPolarHBondContact SG-CE 3.39Å; I335-K715 HydrophobicContact CG2-CB 3.86Å; H336-K715 HydrophobicContact CB-CD 4.3Å; H336-K715 WeakPolarHBondContact ND1-CE 3.23Å; H336-K715 PolarHBondContact ND1-NZ 3.13Å; H336-K715 VanDerWaalsContact ND1-NZ 3.16Å; Y339-K715 HydrophobicContact CD1-CB 4.29Å; Y339-K715 HydrophobicContact CD1-CD 4.08Å; Y339-K715 HydrophobicContact CD1-CG 3.71Å; Y339-K715 HydrophobicContact CD2-CB 4.47Å; Y339-K715 HydrophobicContact CD2-CG 4.43Å; Y339-K715 HydrophobicContact CE1-CD 4.48Å; Y339-K715 HydrophobicContact CE1-CG 4.02Å; Y339-K715 HydrophobicContact CG-CB 4Å; Y339-K715 HydrophobicContact CG-CG 3.91Å; A368-K715 HydrophobicContact CB-CG 4.26Å; L711-K715 HydrophobicContact CD1-CD 4.48Å; L711-K715 WeakPolarHBondContact O-CG 3.29Å; L711-K715 PolarHBondContact O-N 3.39Å; L712-K715 PolarHBondContact O-N 3.26Å; E713-K715 PolarHBondContact O-N 3.25Å; K715-Y718 WeakPolarHBondContact O-CB 3.49Å; K715-Y718 PolarHBondContact O-N 2.95Å; K715-V719 WeakPolarHBondContact O-CG2 3.18Å; K715-V719 PolarHBondContact O-N 2.98Å; K715-V719 VanDerWaalsContact O-N 3.13Å
716	Y	96.5	Very high	92.5	Very high	55 Å²	55	41 Å²	41	22%	0.216	20%	0.199	C	C	.	.	H	α-helix	trans	-68.2	-43.8	-179.6	-176.8	-121	0	0	0	112.4	V326 L328 I335 L712 E713 Y718 V719 Q720	V326-Y716 HydrophobicContact CB-CE2 3.85Å; V326-Y716 HydrophobicContact CG1-CD2 3.85Å; V326-Y716 HydrophobicContact CG1-CE2 3.46Å; V326-Y716 VanDerWaalsContact CG1-CE2 3.46Å; L328-Y716 HydrophobicContact CD1-CD1 3.74Å; L328-Y716 HydrophobicContact CD1-CE1 4.06Å; L328-Y716 HydrophobicContact CD1-CG 4.07Å; I335-Y716 HydrophobicContact CD1-CD2 4.37Å; I335-Y716 HydrophobicContact CG1-CD2 4.35Å; L712-Y716 WeakPolarHBondContact O-CB 3.33Å; L712-Y716 PolarHBondContact O-N 2.99Å; E713-Y716 PolarHBondContact O-N 3.27Å; Y716-Y718 VanDerWaalsContact C-N 3.29Å; Y716-Y718 PolarHBondContact O-N 3.44Å; Y716-V719 WeakPolarHBondContact O-CB 3.3Å; Y716-V719 PolarHBondContact O-N 2.84Å; Y716-Q720 HydrophobicContact CD1-CG 4.37Å; Y716-Q720 VanDerWaalsContact CE1-CD 3.47Å; Y716-Q720 HydrophobicContact CE1-CG 4.03Å; Y716-Q720 HydrophobicContact CE2-CG 4.17Å; Y716-Q720 VanDerWaalsContact CZ-NE2 3.34Å; Y716-Q720 WeakPolarHBondContact O-CG 3.37Å; Y716-Q720 PolarHBondContact O-N 3.04Å; Y716-Q720 PolarHBondContact OH-NE2 3.5Å
717	K	95.2	Very high	92.3	Very high	54 Å²	54	41.3 Å²	41.3	24%	0.235	20%	0.204	C	C	.	.	H	α-helix	trans	-62.5	-34.4	174.4	-76.2	-78.2	-173.4	179.3	0	112.1	Y364 E652 L709 E713 Q720 T721	Y364-K717 HydrophobicContact CD1-CB 4.16Å; Y364-K717 HydrophobicContact CE1-CB 3.54Å; Y364-K717 HydrophobicContact CE1-CG 4.41Å; E652-K717 IonicContact OE2-NZ 2.85Å; E652-K717 PolarHBondContact OE2-NZ 3.06Å; L709-K717 HydrophobicContact CD1-CG 4.31Å; E713-K717 WeakPolarHBondContact O-CB 3.35Å; E713-K717 WeakPolarHBondContact O-CG 3.28Å; E713-K717 PolarHBondContact O-N 2.83Å; K717-Q720 PolarHBondContact O-N 3.34Å; K717-T721 WeakPolarHBondContact O-CB 2.98Å; K717-T721 PolarHBondContact O-N 3.25Å; K717-T721 PolarHBondContact O-OG1 3.02Å
718	Y	97.5	Very high	92.5	Very high	2 Å²	2	35.6 Å²	35.6	1%	0.008	18%	0.183	C	C	.	.	H	α-helix	trans	-57.6	-51.2	168.6	-168.9	-68.1	0	0	0	110.9	Y339 A342 R343 L346 F361 Q365 A714 K715 Y716 Q720 T721 W722	Y339-Y718 AromaticContact CD2-CD1 3.73Å; Y339-Y718 HydrophobicContact CD2-CD1 3.73Å; Y339-Y718 AromaticContact CD2-CD2 3.87Å; Y339-Y718 HydrophobicContact CD2-CD2 3.87Å; Y339-Y718 HydrophobicContact CD2-CE1 4.32Å; Y339-Y718 HydrophobicContact CD2-CE2 4.41Å; Y339-Y718 AromaticContact CD2-CG 3.51Å; Y339-Y718 HydrophobicContact CD2-CG 3.51Å; Y339-Y718 HydrophobicContact CE2-CD1 4.16Å; Y339-Y718 AromaticContact CE2-CD2 3.5Å; Y339-Y718 HydrophobicContact CE2-CD2 3.5Å; Y339-Y718 AromaticContact CE2-CE2 3.87Å; Y339-Y718 HydrophobicContact CE2-CE2 3.87Å; Y339-Y718 AromaticContact CE2-CG 3.68Å; Y339-Y718 HydrophobicContact CE2-CG 3.68Å; A342-Y718 HydrophobicContact CB-CD1 4.06Å; A342-Y718 HydrophobicContact CB-CE1 3.77Å; R343-Y718 WeakPolarHBondContact CA-OH 3.34Å; L346-Y718 HydrophobicContact CD1-CE1 3.99Å; L346-Y718 WeakPolarHBondContact CD1-OH 3.48Å; F361-Y718 HydrophobicContact CB-CD2 4.39Å; F361-Y718 HydrophobicContact CB-CE2 3.65Å; F361-Y718 AromaticContact CD1-CD1 3.81Å; F361-Y718 HydrophobicContact CD1-CD1 3.81Å; F361-Y718 AromaticContact CD1-CD2 3.86Å; F361-Y718 HydrophobicContact CD1-CD2 3.86Å; F361-Y718 AromaticContact CD1-CE1 3.53Å; F361-Y718 HydrophobicContact CD1-CE1 3.53Å; F361-Y718 AromaticContact CD1-CE2 3.63Å; F361-Y718 HydrophobicContact CD1-CE2 3.63Å; F361-Y718 AromaticContact CD1-CG 3.94Å; F361-Y718 HydrophobicContact CD1-CG 3.94Å; F361-Y718 AromaticContact CD1-CZ 3.42Å; F361-Y718 VanDerWaalsContact CD1-CZ 3.42Å; F361-Y718 HydrophobicContact CE1-CD1 4.09Å; F361-Y718 AromaticContact CE1-CE1 3.95Å; F361-Y718 HydrophobicContact CE1-CE1 3.95Å; F361-Y718 HydrophobicContact CE1-CG 4.49Å; F361-Y718 HydrophobicContact CG-CE1 4.41Å; F361-Y718 HydrophobicContact CG-CE2 4.07Å; F361-Y718 AromaticContact CG-CZ 3.92Å; F361-Y718 VanDerWaalsContact O-CE2 3.28Å; F361-Y718 WeakPolarHBondContact O-CE2 3.24Å; Q365-Y718 HydrophobicContact CB-CE2 4.47Å; A714-Y718 WeakPolarHBondContact O-CB 3.36Å; A714-Y718 PolarHBondContact O-N 3.21Å; K715-Y718 WeakPolarHBondContact O-CB 3.49Å; K715-Y718 PolarHBondContact O-N 2.95Å; Y716-Y718 VanDerWaalsContact C-N 3.29Å; Y716-Y718 PolarHBondContact O-N 3.44Å; Y718-Q720 PolarHBondContact O-N 3.12Å; Y718-T721 PolarHBondContact O-N 2.88Å; Y718-W722 WeakPolarHBondContact O-CB 3.33Å; Y718-W722 PolarHBondContact O-N 3.35Å
719	V	96.6	Very high	92.6	Very high	4 Å²	4	29.6 Å²	29.6	2%	0.024	15%	0.152	C	C	.	.	H	α-helix	trans	-61.2	-44.5	179.2	174.2	0	0	0	0	111.3	L338 K715 Y716 T721 W722 Q723	L338-V719 HydrophobicContact CB-CG1 4.43Å; L338-V719 HydrophobicContact CB-CG2 3.89Å; K715-V719 WeakPolarHBondContact O-CG2 3.18Å; K715-V719 PolarHBondContact O-N 2.98Å; K715-V719 VanDerWaalsContact O-N 3.13Å; Y716-V719 WeakPolarHBondContact O-CB 3.3Å; Y716-V719 PolarHBondContact O-N 2.84Å; V719-T721 VanDerWaalsContact C-N 3.28Å; V719-T721 PolarHBondContact O-N 3.08Å; V719-W722 HydrophobicContact CG1-CE3 4.45Å; V719-W722 WeakPolarHBondContact O-CB 3.17Å; V719-W722 PolarHBondContact O-N 3.07Å; V719-W722 VanDerWaalsContact O-N 3.14Å; V719-Q723 WeakPolarHBondContact O-CG 3.4Å; V719-Q723 PolarHBondContact O-N 2.98Å
720	Q	93.5	Very high	92.6	Very high	42 Å²	42	30.6 Å²	30.6	20%	0.196	15%	0.154	C	C	.	.	H	α-helix	trans	-61.3	-37.5	176.7	-70.6	-174.5	-36.7	0	0	112.4	Y716 K717 Y718 R724	Y716-Q720 HydrophobicContact CD1-CG 4.37Å; Y716-Q720 VanDerWaalsContact CE1-CD 3.47Å; Y716-Q720 HydrophobicContact CE1-CG 4.03Å; Y716-Q720 HydrophobicContact CE2-CG 4.17Å; Y716-Q720 VanDerWaalsContact CZ-NE2 3.34Å; Y716-Q720 WeakPolarHBondContact O-CG 3.37Å; Y716-Q720 PolarHBondContact O-N 3.04Å; Y716-Q720 PolarHBondContact OH-NE2 3.5Å; K717-Q720 PolarHBondContact O-N 3.34Å; Y718-Q720 PolarHBondContact O-N 3.12Å; Q720-R724 WeakPolarHBondContact O-CG 3.43Å
721	T	93.6	Very high	92.8	Very high	6 Å²	6	29.6 Å²	29.6	4%	0.037	14%	0.143	C	C	.	.	H	α-helix	trans	-69.2	-39.1	175.8	-55.9	0	0	0	0	110.6	V360 F361 Y364 L653 K717 Y718 V719 Q723 R724	V360-T721 HydrophobicContact CG1-CG2 4.44Å; F361-T721 HydrophobicContact CD1-CG2 4.43Å; F361-T721 HydrophobicContact CE1-CG2 3.7Å; F361-T721 HydrophobicContact CE2-CG2 4.36Å; F361-T721 HydrophobicContact CZ-CG2 3.64Å; Y364-T721 WeakPolarHBondContact CE2-OG1 3.49Å; L653-T721 HydrophobicContact CD1-CG2 3.77Å; K717-T721 WeakPolarHBondContact O-CB 2.98Å; K717-T721 PolarHBondContact O-N 3.25Å; K717-T721 PolarHBondContact O-OG1 3.02Å; Y718-T721 PolarHBondContact O-N 2.88Å; V719-T721 VanDerWaalsContact C-N 3.28Å; V719-T721 PolarHBondContact O-N 3.08Å; T721-Q723 PolarHBondContact O-N 2.85Å; T721-R724 WeakPolarHBondContact O-CB 3.16Å; T721-R724 PolarHBondContact O-N 3.43Å; T721-R724 VanDerWaalsContact O-N 3.13Å
722	W	95	Very high	92.9	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-61.8	-41.1	175.6	176.6	61.9	0	0	0	112.6	F321 F323 A342 S345 F351 F361 Y718 V719 R724 L725 F728	F321-W722 AromaticContact CD1-CH2 3.69Å; F321-W722 HydrophobicContact CD1-CH2 3.69Å; F321-W722 AromaticContact CD1-CZ2 4Å; F321-W722 HydrophobicContact CD1-CZ2 4Å; F321-W722 HydrophobicContact CD1-CZ3 4.48Å; F321-W722 AromaticContact CE1-CH2 3.47Å; F321-W722 HydrophobicContact CE1-CH2 3.47Å; F321-W722 VanDerWaalsContact CE1-CH2 3.47Å; F321-W722 AromaticContact CE1-CZ2 3.51Å; F321-W722 HydrophobicContact CE1-CZ2 3.51Å; F323-W722 HydrophobicContact CE2-CE3 4.3Å; F323-W722 HydrophobicContact CE2-CH2 4.4Å; F323-W722 AromaticContact CE2-CZ3 3.59Å; F323-W722 HydrophobicContact CE2-CZ3 3.59Å; F323-W722 HydrophobicContact CZ-CH2 4.3Å; F323-W722 AromaticContact CZ-CZ3 3.85Å; F323-W722 HydrophobicContact CZ-CZ3 3.85Å; A342-W722 HydrophobicContact CB-CB 4.11Å; A342-W722 HydrophobicContact CB-CD2 3.42Å; A342-W722 VanDerWaalsContact CB-CD2 3.42Å; A342-W722 HydrophobicContact CB-CE3 3.57Å; A342-W722 HydrophobicContact CB-CG 3.67Å; A342-W722 HydrophobicContact CB-CH2 4.45Å; A342-W722 HydrophobicContact CB-CZ2 4.32Å; A342-W722 HydrophobicContact CB-CZ3 4.08Å; S345-W722 PolarHBondContact OG-NE1 2.96Å; F351-W722 AromaticContact CD2-NE1 3.85Å; F351-W722 HydrophobicContact CE2-CZ2 4.02Å; F351-W722 HydrophobicContact CZ-CZ2 4.33Å; F361-W722 HydrophobicContact CE1-CB 3.99Å; F361-W722 HydrophobicContact CZ-CB 4.24Å; Y718-W722 WeakPolarHBondContact O-CB 3.33Å; Y718-W722 PolarHBondContact O-N 3.35Å; V719-W722 HydrophobicContact CG1-CE3 4.45Å; V719-W722 WeakPolarHBondContact O-CB 3.17Å; V719-W722 PolarHBondContact O-N 3.07Å; V719-W722 VanDerWaalsContact O-N 3.14Å; W722-R724 PolarHBondContact O-N 3.22Å; W722-L725 PolarHBondContact O-N 3.1Å; W722-F728 AromaticContact CD2-CD2 3.98Å; W722-F728 HydrophobicContact CD2-CD2 3.98Å; W722-F728 AromaticContact CD2-CE2 3.6Å; W722-F728 HydrophobicContact CD2-CE2 3.6Å; W722-F728 AromaticContact CE2-CD2 3.99Å; W722-F728 AromaticContact CE2-CE2 3.77Å; W722-F728 HydrophobicContact CE3-CD2 4.36Å; W722-F728 AromaticContact CE3-CE2 3.53Å; W722-F728 HydrophobicContact CE3-CE2 3.53Å; W722-F728 HydrophobicContact CE3-CZ 4.37Å; W722-F728 HydrophobicContact CG-CD2 4.36Å; W722-F728 HydrophobicContact CG-CE2 4.37Å; W722-F728 AromaticContact CH2-CE2 3.86Å; W722-F728 HydrophobicContact CH2-CE2 3.86Å; W722-F728 HydrophobicContact CZ2-CD2 4.4Å; W722-F728 AromaticContact CZ2-CE2 3.92Å; W722-F728 HydrophobicContact CZ2-CE2 3.92Å; W722-F728 AromaticContact CZ3-CE2 3.67Å; W722-F728 HydrophobicContact CZ3-CE2 3.67Å; W722-F728 HydrophobicContact CZ3-CZ 4.31Å; W722-F728 VanDerWaalsContact O-CD2 3.31Å; W722-F728 WeakPolarHBondContact O-CD2 3.5Å
723	Q	91.9	Very high	93.1	Very high	67 Å²	67	26.8 Å²	26.8	31%	0.313	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-16.3	175.2	-69.9	178.8	-66.1	0	0	114.1	F323 V719 T721 F728	F323-Q723 HydrophobicContact CD2-CG 4.33Å; F323-Q723 HydrophobicContact CE2-CG 4.48Å; V719-Q723 WeakPolarHBondContact O-CG 3.4Å; V719-Q723 PolarHBondContact O-N 2.98Å; T721-Q723 PolarHBondContact O-N 2.85Å; Q723-F728 HydrophobicContact CB-CD1 4.37Å; Q723-F728 HydrophobicContact CB-CE1 4.15Å; Q723-F728 HydrophobicContact CB-CE2 4.44Å; Q723-F728 HydrophobicContact CB-CZ 4.2Å; Q723-F728 HydrophobicContact CG-CE1 3.93Å; Q723-F728 HydrophobicContact CG-CE2 4.01Å; Q723-F728 HydrophobicContact CG-CZ 3.6Å
724	R	87	Confident	93.1	Very high	48 Å²	48	22.5 Å²	22.5	18%	0.181	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.1	-5.8	-177.4	-64.6	172.1	-170.7	177	6.1	113.8	R629 A649 Q720 T721 W722	R629-R724 PolarHBondContact NH2-O 2.84Å; A649-R724 PolarHBondContact O-NH1 2.84Å; Q720-R724 WeakPolarHBondContact O-CG 3.43Å; T721-R724 WeakPolarHBondContact O-CB 3.16Å; T721-R724 PolarHBondContact O-N 3.43Å; T721-R724 VanDerWaalsContact O-N 3.13Å; W722-R724 PolarHBondContact O-N 3.22Å
725	L	88.7	Confident	93.1	Very high	9 Å²	9	22.5 Å²	22.5	5%	0.047	11%	0.107	C	C	.	.	S	Bend	trans	-64.6	147	179.2	-73.2	178	0	0	0	112.1	L346 C353 E357 F361 W722 G727 F728	L346-L725 HydrophobicContact CD2-CD1 3.66Å; C353-L725 HydrophobicContact CB-CD1 4.32Å; C353-L725 HydrophobicContact CB-CD2 3.82Å; E357-L725 HydrophobicContact CB-CD2 4.32Å; E357-L725 HydrophobicContact CG-CD2 4.25Å; F361-L725 HydrophobicContact CE2-CD1 3.83Å; F361-L725 HydrophobicContact CE2-CD2 3.97Å; F361-L725 HydrophobicContact CE2-CG 4.16Å; F361-L725 HydrophobicContact CZ-CD1 3.8Å; F361-L725 HydrophobicContact CZ-CD2 4.25Å; F361-L725 HydrophobicContact CZ-CG 4.01Å; W722-L725 PolarHBondContact O-N 3.1Å; L725-G727 PolarHBondContact O-N 3.5Å; L725-G727 VanDerWaalsContact O-N 3.13Å; L725-F728 WeakPolarHBondContact O-CB 3.39Å; L725-F728 PolarHBondContact O-N 3.2Å; L725-F728 VanDerWaalsContact O-N 3.08Å
726	T	81.3	Confident	92.9	Very high	53 Å²	53	26.9 Å²	26.9	33%	0.325	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	116.1	173.3	54.8	0	0	0	0	110	F563	F563-T726 HydrophobicContact CD1-CG2 3.96Å; F563-T726 HydrophobicContact CE1-CG2 3.55Å; F563-T726 HydrophobicContact CE2-CG2 4.32Å; F563-T726 HydrophobicContact CG-CG2 4.49Å; F563-T726 HydrophobicContact CZ-CG2 3.76Å
727	G	84.3	Confident	92.6	Very high	14 Å²	14	25.3 Å²	25.3	14%	0.144	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	89	10.3	-178	0	0	0	0	0	115.4	F351 L725 G729 R730	F351-G727 WeakPolarHBondContact CE1-O 3.38Å; L725-G727 PolarHBondContact O-N 3.5Å; L725-G727 VanDerWaalsContact O-N 3.13Å; G727-G729 PolarHBondContact O-N 3.01Å; G727-R730 WeakPolarHBondContact O-CG 3.2Å; G727-R730 PolarHBondContact O-N 3.09Å
728	F	91.1	Very high	92	Very high	30 Å²	30	27.1 Å²	27.1	13%	0.132	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.7	137	165.4	177.8	-100.1	0	0	0	111.5	F321 F323 W722 Q723 L725 R730	F321-F728 HydrophobicContact CB-CE1 3.96Å; F321-F728 HydrophobicContact CB-CZ 3.78Å; F321-F728 HydrophobicContact CD1-CD2 4.36Å; F321-F728 AromaticContact CD1-CE2 3.67Å; F321-F728 HydrophobicContact CD1-CE2 3.67Å; F321-F728 AromaticContact CD1-CZ 3.79Å; F321-F728 HydrophobicContact CD1-CZ 3.79Å; F321-F728 HydrophobicContact CE1-CE2 4.49Å; F321-F728 HydrophobicContact CG-CZ 4.29Å; F321-F728 WeakPolarHBondContact O-CE1 3.5Å; F323-F728 HydrophobicContact CE2-CE2 4.41Å; F323-F728 AromaticContact CE2-CZ 3.8Å; F323-F728 HydrophobicContact CE2-CZ 3.8Å; F323-F728 HydrophobicContact CZ-CZ 4.48Å; W722-F728 AromaticContact CD2-CD2 3.98Å; W722-F728 HydrophobicContact CD2-CD2 3.98Å; W722-F728 AromaticContact CD2-CE2 3.6Å; W722-F728 HydrophobicContact CD2-CE2 3.6Å; W722-F728 AromaticContact CE2-CD2 3.99Å; W722-F728 AromaticContact CE2-CE2 3.77Å; W722-F728 HydrophobicContact CE3-CD2 4.36Å; W722-F728 AromaticContact CE3-CE2 3.53Å; W722-F728 HydrophobicContact CE3-CE2 3.53Å; W722-F728 HydrophobicContact CE3-CZ 4.37Å; W722-F728 HydrophobicContact CG-CD2 4.36Å; W722-F728 HydrophobicContact CG-CE2 4.37Å; W722-F728 AromaticContact CH2-CE2 3.86Å; W722-F728 HydrophobicContact CH2-CE2 3.86Å; W722-F728 HydrophobicContact CZ2-CD2 4.4Å; W722-F728 AromaticContact CZ2-CE2 3.92Å; W722-F728 HydrophobicContact CZ2-CE2 3.92Å; W722-F728 AromaticContact CZ3-CE2 3.67Å; W722-F728 HydrophobicContact CZ3-CE2 3.67Å; W722-F728 HydrophobicContact CZ3-CZ 4.31Å; W722-F728 VanDerWaalsContact O-CD2 3.31Å; W722-F728 WeakPolarHBondContact O-CD2 3.5Å; Q723-F728 HydrophobicContact CB-CD1 4.37Å; Q723-F728 HydrophobicContact CB-CE1 4.15Å; Q723-F728 HydrophobicContact CB-CE2 4.44Å; Q723-F728 HydrophobicContact CB-CZ 4.2Å; Q723-F728 HydrophobicContact CG-CE1 3.93Å; Q723-F728 HydrophobicContact CG-CE2 4.01Å; Q723-F728 HydrophobicContact CG-CZ 3.6Å; L725-F728 WeakPolarHBondContact O-CB 3.39Å; L725-F728 PolarHBondContact O-N 3.2Å; L725-F728 VanDerWaalsContact O-N 3.08Å; F728-R730 PolarHBondContact O-N 2.9Å
729	G	90.9	Very high	90.5	Very high	4 Å²	4	38.5 Å²	38.5	4%	0.041	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.6	16.3	174.7	0	0	0	0	0	116.7	F321 G727 C764 Y827	F321-G729 VanDerWaalsContact CB-CA 3.49Å; G727-G729 PolarHBondContact O-N 3.01Å; G729-C764 WeakPolarHBondContact O-CA 3.37Å; G729-Y827 PolarHBondContact O-OH 2.71Å
730	R	93.2	Very high	88.8	Confident	49 Å²	49	41.7 Å²	41.7	19%	0.185	21%	0.207	C	C	.	.			trans	-88	112.4	175.7	-72.9	179.6	170.7	139.2	9.5	112.2	G727 F728 Y732 A762 C764 E769	G727-R730 WeakPolarHBondContact O-CG 3.2Å; G727-R730 PolarHBondContact O-N 3.09Å; F728-R730 PolarHBondContact O-N 2.9Å; R730-Y732 HydrophobicContact CB-CE1 4.45Å; R730-Y732 HydrophobicContact CB-CE2 3.87Å; R730-Y732 VanDerWaalsContact CD-OH 3.29Å; R730-Y732 WeakPolarHBondContact CD-OH 3.47Å; R730-A762 HydrophobicContact CB-CB 4.23Å; R730-A762 HydrophobicContact CG-CB 4.28Å; R730-C764 VanDerWaalsContact CG-SG 3.57Å; R730-E769 IonicContact CZ-OE2 3.8Å; R730-E769 VanDerWaalsContact CZ-OE2 3.23Å; R730-E769 IonicContact NE-OE1 3.39Å; R730-E769 IonicContact NE-OE2 2.61Å; R730-E769 PolarHBondContact NE-OE2 3.34Å; R730-E769 IonicContact NH2-OE1 3.46Å; R730-E769 PolarHBondContact NH2-OE1 2.9Å; R730-E769 IonicContact NH2-OE2 2.78Å; R730-E769 PolarHBondContact NH2-OE2 3.49Å
731	S	96.7	Very high	86.9	Confident	4 Å²	4	42 Å²	42	3%	0.028	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	109.1	168.4	-64.9	0	0	0	0	110	F733 A762 I763 F823	S731-F733 VanDerWaalsContact O-CD2 3.3Å; S731-F733 WeakPolarHBondContact O-CD2 3.37Å; S731-F733 WeakPolarHBondContact O-CE2 3.41Å; S731-A762 CarbonylContact O-C 3.59Å; S731-A762 WeakPolarHBondContact O-CA 3.35Å; S731-I763 PolarHBondContact N-O 3.13Å; S731-I763 PolarHBondContact O-N 3.2Å; S731-F823 VanDerWaalsContact OG-CE1 3.24Å; S731-F823 WeakPolarHBondContact OG-CE1 3.46Å
732	Y	96.9	Very high	84.8	Confident	25 Å²	25	48.7 Å²	48.7	10%	0.098	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	146.4	-176.9	-61	-82.3	0	0	0	112.6	L274 K277 A278 N281 R730 I760 I761 A762 V771	L274-Y732 HydrophobicContact CD2-CD1 4.04Å; L274-Y732 HydrophobicContact CD2-CD2 4.43Å; L274-Y732 HydrophobicContact CD2-CE1 3.59Å; L274-Y732 HydrophobicContact CD2-CE2 4.03Å; L274-Y732 HydrophobicContact CD2-CG 4.43Å; K277-Y732 HydrophobicContact CB-CD2 3.97Å; K277-Y732 HydrophobicContact CD-CD2 4.46Å; K277-Y732 HydrophobicContact CD-CE2 4.22Å; A278-Y732 VanDerWaalsContact CA-O 3.26Å; A278-Y732 WeakPolarHBondContact CA-O 3.35Å; N281-Y732 PolarHBondContact ND2-N 3.3Å; N281-Y732 PolarHBondContact ND2-O 3.48Å; R730-Y732 HydrophobicContact CB-CE1 4.45Å; R730-Y732 HydrophobicContact CB-CE2 3.87Å; R730-Y732 VanDerWaalsContact CD-OH 3.29Å; R730-Y732 WeakPolarHBondContact CD-OH 3.47Å; Y732-I760 HydrophobicContact CD1-CG2 3.89Å; Y732-I761 CarbonylContact C-O 3.57Å; Y732-I761 VanDerWaalsContact CA-O 3.31Å; Y732-I761 WeakPolarHBondContact CA-O 3.29Å; Y732-A762 HydrophobicContact CD1-CB 3.74Å; Y732-A762 HydrophobicContact CE1-CB 3.78Å; Y732-V771 HydrophobicContact CE1-CG1 4.49Å; Y732-V771 HydrophobicContact CE1-CG2 4.38Å
733	F	97.1	Very high	82.7	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	140.4	174.8	-58.3	-82	0	0	0	110.4	N281 S731 V735 I760 I761 I763 T815 T819 I820 F823	N281-F733 HydrophobicContact CB-CD1 4.24Å; N281-F733 HydrophobicContact CB-CE1 3.59Å; N281-F733 HydrophobicContact CB-CZ 4.08Å; S731-F733 VanDerWaalsContact O-CD2 3.3Å; S731-F733 WeakPolarHBondContact O-CD2 3.37Å; S731-F733 WeakPolarHBondContact O-CE2 3.41Å; F733-V735 HydrophobicContact CB-CG1 4.35Å; F733-I760 WeakPolarHBondContact O-CA 3.45Å; F733-I761 HydrophobicContact CB-CG1 3.98Å; F733-I761 PolarHBondContact N-O 3.06Å; F733-I761 PolarHBondContact O-N 3.45Å; F733-I763 HydrophobicContact CD2-CD1 3.8Å; F733-I763 HydrophobicContact CD2-CG1 3.95Å; F733-I763 HydrophobicContact CE2-CB 4.21Å; F733-I763 HydrophobicContact CE2-CD1 3.57Å; F733-I763 HydrophobicContact CE2-CG1 3.87Å; F733-I763 HydrophobicContact CZ-CD1 4.46Å; F733-T815 HydrophobicContact CD1-CG2 3.48Å; F733-T815 VanDerWaalsContact CD1-CG2 3.48Å; F733-T815 HydrophobicContact CE1-CG2 3.92Å; F733-T815 HydrophobicContact CG-CG2 4.5Å; F733-T819 HydrophobicContact CE1-CG2 4.1Å; F733-I820 HydrophobicContact CB-CD1 4.04Å; F733-I820 HydrophobicContact CD1-CD1 4.28Å; F733-I820 HydrophobicContact CD1-CG1 4Å; F733-I820 HydrophobicContact CD2-CG1 4.32Å; F733-I820 HydrophobicContact CE1-CG1 4.26Å; F733-I820 HydrophobicContact CG-CD1 4Å; F733-I820 HydrophobicContact CG-CG1 4.02Å; F733-F823 HydrophobicContact CE1-CD2 4.3Å; F733-F823 HydrophobicContact CE1-CE2 4.28Å; F733-F823 HydrophobicContact CE2-CD2 4.25Å; F733-F823 HydrophobicContact CE2-CG 4.41Å; F733-F823 AromaticContact CZ-CD2 3.47Å; F733-F823 HydrophobicContact CZ-CD2 3.47Å; F733-F823 VanDerWaalsContact CZ-CD2 3.47Å; F733-F823 AromaticContact CZ-CE2 3.59Å; F733-F823 HydrophobicContact CZ-CE2 3.59Å; F733-F823 HydrophobicContact CZ-CG 4.05Å; F733-F823 HydrophobicContact CZ-CZ 4.24Å
734	I	96.1	Very high	80.9	Confident	2 Å²	2	48.4 Å²	48.4	1%	0.01	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	127.9	172	-51.2	177.2	0	0	0	107.3	N171 V275 A278 R279 D758 D759 L813 S814	N171-I734 WeakPolarHBondContact OD1-CD1 3.38Å; V275-I734 HydrophobicContact CG1-CD1 3.67Å; A278-I734 HydrophobicContact CB-CD1 4.37Å; A278-I734 HydrophobicContact CB-CG1 3.61Å; R279-I734 HydrophobicContact CG-CD1 4.1Å; I734-D758 HydrophobicContact CG2-CB 3.29Å; I734-D759 WeakPolarHBondContact CA-O 3.23Å; I734-L813 HydrophobicContact CB-CB 4.22Å; I734-L813 HydrophobicContact CG2-CB 4.01Å; I734-L813 HydrophobicContact CG2-CD1 3.98Å; I734-L813 HydrophobicContact CG2-CG 4.4Å; I734-L813 PolarHBondContact O-N 3.09Å; I734-S814 PolarHBondContact N-OG 2.86Å; I734-S814 VanDerWaalsContact N-OG 3.11Å
735	V	94.9	Very high	79.1	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	159.5	-176.3	-58.4	0	0	0	0	111.6	F733 F737 D759 I761 F810 R811 I820	F733-V735 HydrophobicContact CB-CG1 4.35Å; V735-F737 HydrophobicContact CG2-CD2 4.37Å; V735-F737 HydrophobicContact CG2-CE2 3.91Å; V735-F737 HydrophobicContact CG2-CZ 4.04Å; V735-D759 HydrophobicContact CG2-CB 4.23Å; V735-D759 PolarHBondContact N-O 2.98Å; V735-D759 PolarHBondContact O-N 3.46Å; V735-I761 HydrophobicContact CG1-CD1 3.79Å; V735-I761 HydrophobicContact CG1-CG1 3.79Å; V735-I761 HydrophobicContact CG2-CG1 4.33Å; V735-I761 HydrophobicContact CG2-CG2 3.78Å; V735-F810 HydrophobicContact CB-CB 4.21Å; V735-F810 HydrophobicContact CB-CD2 3.84Å; V735-F810 HydrophobicContact CB-CG 4.25Å; V735-F810 HydrophobicContact CG1-CD2 3.56Å; V735-F810 HydrophobicContact CG1-CE2 3.89Å; V735-F810 HydrophobicContact CG1-CG 4.37Å; V735-F810 HydrophobicContact CG2-CB 4.46Å; V735-F810 HydrophobicContact CG2-CD2 4.48Å; V735-R811 CarbonylContact C-O 3.52Å; V735-R811 WeakPolarHBondContact CA-O 3.21Å; V735-I820 HydrophobicContact CG1-CD1 4.34Å
736	Q	92.1	Very high	77.2	Confident	97 Å²	97	55.8 Å²	55.8	45%	0.453	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	109.4	170.5	179.2	176.6	41.7	0	0	108.5	F810 R811 L813	Q736-F810 CarbonylContact O-C 3.56Å; Q736-F810 VanDerWaalsContact O-CA 3.29Å; Q736-F810 WeakPolarHBondContact O-CA 3.45Å; Q736-R811 HydrophobicContact CB-CB 4.45Å; Q736-R811 PolarHBondContact N-O 3.07Å; Q736-R811 PolarHBondContact O-N 3.46Å; Q736-L813 HydrophobicContact CB-CD1 4.25Å; Q736-L813 HydrophobicContact CB-CD2 4.17Å; Q736-L813 HydrophobicContact CB-CG 4.34Å
737	F	90.4	Very high	75.6	Confident	22 Å²	22	55.9 Å²	55.9	10%	0.096	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	151.2	175.4	-71.2	-73.8	0	0	0	111.8	V735 R739 L741 L744 D759 I761 V770 W782 V808 F810	V735-F737 HydrophobicContact CG2-CD2 4.37Å; V735-F737 HydrophobicContact CG2-CE2 3.91Å; V735-F737 HydrophobicContact CG2-CZ 4.04Å; F737-R739 PolarHBondContact O-N 3.29Å; F737-L741 HydrophobicContact CD1-CD2 4.34Å; F737-L744 HydrophobicContact CD2-CD2 3.57Å; F737-L744 HydrophobicContact CE2-CD2 3.57Å; F737-L744 HydrophobicContact CG-CD2 4.33Å; F737-L744 HydrophobicContact CZ-CD2 4.32Å; F737-D759 HydrophobicContact CD2-CB 3.71Å; F737-D759 WeakPolarHBondContact CD2-OD2 3.46Å; F737-D759 HydrophobicContact CE2-CB 3.66Å; F737-I761 HydrophobicContact CE2-CG2 4.36Å; F737-I761 HydrophobicContact CZ-CG2 3.68Å; F737-V770 HydrophobicContact CE2-CG1 4.25Å; F737-V770 HydrophobicContact CE2-CG2 4.49Å; F737-V770 HydrophobicContact CZ-CG1 4.48Å; F737-V770 HydrophobicContact CZ-CG2 3.94Å; F737-W782 AromaticContact CE1-CH2 3.94Å; F737-W782 HydrophobicContact CE1-CH2 3.94Å; F737-W782 HydrophobicContact CE1-CZ3 4.46Å; F737-W782 HydrophobicContact CZ-CH2 4.18Å; F737-W782 HydrophobicContact CZ-CZ3 4.5Å; F737-V808 HydrophobicContact CD1-CG2 3.63Å; F737-V808 HydrophobicContact CE1-CG2 3.56Å; F737-F810 HydrophobicContact CD1-CB 3.78Å; F737-F810 HydrophobicContact CD1-CD1 4.33Å; F737-F810 HydrophobicContact CD1-CG 4.46Å; F737-F810 HydrophobicContact CE1-CB 4.09Å; F737-F810 AromaticContact CE1-CD1 3.93Å; F737-F810 HydrophobicContact CE1-CD1 3.93Å; F737-F810 HydrophobicContact CE1-CG 4.31Å; F737-F810 HydrophobicContact CG-CB 4.39Å
738	E	82.8	Confident	73.8	Confident	92 Å²	92	58.7 Å²	58.7	43%	0.43	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-65.8	131	169.5	-175.3	143.4	-147.9	0	0	111	G740 L741 K798 A809	E738-G740 PolarHBondContact O-N 3Å; E738-L741 PolarHBondContact O-N 3.5Å; E738-K798 IonicContact OE1-NZ 2.77Å; E738-K798 PolarHBondContact OE1-NZ 3.04Å; E738-K798 IonicContact OE2-NZ 3.27Å; E738-K798 PolarHBondContact OE2-NZ 2.96Å; E738-A809 HydrophobicContact CB-CB 4.36Å; E738-A809 PolarHBondContact N-O 3.38Å
739	R	66.3	Low	71.5	Confident	241 Å²	241	60 Å²	60	91%	0.909	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	120.6	179.4	-68.3	-178.4	-176.8	166.2	0.7	108.9	F737	F737-R739 PolarHBondContact O-N 3.29Å
740	G	60.3	Low	69.1	Low	70 Å²	70	61.7 Å²	61.7	72%	0.722	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	126.5	-6.7	-178.1	0	0	0	0	0	114.8	E738 Q742	E738-G740 PolarHBondContact O-N 3Å; G740-Q742 PolarHBondContact O-N 3.27Å
741	L	53.8	Low	66.4	Low	49 Å²	49	62.1 Å²	62.1	26%	0.257	37%	0.367	S	S	.	.			trans	-63.1	98.7	168.2	-120	83.9	0	0	0	109.8	F737 E738 G743 L744 W782 V808	F737-L741 HydrophobicContact CD1-CD2 4.34Å; E738-L741 PolarHBondContact O-N 3.5Å; L741-G743 PolarHBondContact O-N 3.26Å; L741-L744 HydrophobicContact CB-CD1 4.14Å; L741-L744 HydrophobicContact CD2-CD1 3.43Å; L741-L744 VanDerWaalsContact CD2-CD1 3.43Å; L741-L744 HydrophobicContact CG-CD1 4.36Å; L741-W782 HydrophobicContact CD2-CZ2 4.3Å; L741-V808 HydrophobicContact CD1-CB 4.33Å; L741-V808 HydrophobicContact CD1-CG2 3.99Å; L741-V808 HydrophobicContact CD2-CB 4.14Å; L741-V808 HydrophobicContact CD2-CG2 3.54Å; L741-V808 HydrophobicContact CG-CG2 4.43Å
742	Q	49.7	Very low	64.1	Low	146 Å²	146	70.1 Å²	70.1	68%	0.682	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	126.3	172.6	-69.3	177	2.8	0	0	108.5	G740	G740-Q742 PolarHBondContact O-N 3.27Å
743	G	52	Low	61.7	Low	30 Å²	30	78.7 Å²	78.7	31%	0.309	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	111	-10.2	174.7	0	0	0	0	0	116.2	L741	L741-G743 PolarHBondContact O-N 3.26Å
744	L	53.6	Low	59.1	Low	31 Å²	31	81.5 Å²	81.5	16%	0.162	47%	0.466	C	S	.	.	S	Bend	trans	-74.4	130.6	159.5	-89.1	88.5	0	0	0	108	F737 L741 N746 V770 L780	F737-L744 HydrophobicContact CD2-CD2 3.57Å; F737-L744 HydrophobicContact CE2-CD2 3.57Å; F737-L744 HydrophobicContact CG-CD2 4.33Å; F737-L744 HydrophobicContact CZ-CD2 4.32Å; L741-L744 HydrophobicContact CB-CD1 4.14Å; L741-L744 HydrophobicContact CD2-CD1 3.43Å; L741-L744 VanDerWaalsContact CD2-CD1 3.43Å; L741-L744 HydrophobicContact CG-CD1 4.36Å; L744-N746 PolarHBondContact O-N 2.89Å; L744-N746 VanDerWaalsContact O-N 3.16Å; L744-V770 HydrophobicContact CD2-CG1 4.09Å; L744-L780 HydrophobicContact CD1-CD2 4.34Å
745	P	49.4	Very low	56.7	Low	68 Å²	68	86.3 Å²	86.3	44%	0.442	50%	0.495	S	S	.	.			trans	-53.7	129.6	166.3	22.1	-29.4	0	0	0	106.9	T747 L779	P745-T747 PolarHBondContact O-N 3.38Å; P745-L779 HydrophobicContact CG-CD1 4.17Å
746	N	47.7	Very low	54.9	Low	145 Å²	145	90.9 Å²	90.9	78%	0.775	53%	0.525	S	S	*	.			trans	-59.6	85.3	171.8	-97.8	-16	0	0	0	108.3	L744 N748 G749	L744-N746 PolarHBondContact O-N 2.89Å; L744-N746 VanDerWaalsContact O-N 3.16Å; N746-N748 PolarHBondContact O-N 2.96Å; N746-G749 PolarHBondContact O-N 3.47Å; N746-G749 VanDerWaalsContact O-N 3.15Å
747	T	47.4	Very low	53.5	Low	54 Å²	54	90.6 Å²	90.6	33%	0.331	53%	0.525	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-25.1	166.8	50.7	0	0	0	0	109.6	P745 D759	P745-T747 PolarHBondContact O-N 3.38Å; T747-D759 PolarHBondContact OG1-OD1 3.32Å; T747-D759 VanDerWaalsContact OG1-OD1 3.13Å
748	N	46.7	Very low	52.8	Low	74 Å²	74	92.9 Å²	92.9	40%	0.396	54%	0.538	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	13	177.3	-66.7	-37.4	0	0	0	114.6	N746 G750 P756 M757	N746-N748 PolarHBondContact O-N 2.96Å; N748-G750 PolarHBondContact O-N 3.13Å; N748-P756 WeakPolarHBondContact OD1-CA 3.34Å; N748-P756 WeakPolarHBondContact OD1-CB 3.42Å; N748-M757 PolarHBondContact OD1-N 3.09Å; N748-M757 PolarHBondContact OD1-O 3.02Å
749	G	42.8	Very low	53.1	Low	57 Å²	57	89.3 Å²	89.3	59%	0.588	52%	0.522	S	S	*	.			trans	-81.4	16.2	172	0	0	0	0	0	114.5	N746	N746-G749 PolarHBondContact O-N 3.47Å; N746-G749 VanDerWaalsContact O-N 3.15Å
750	G	41.1	Very low	54.5	Low	39 Å²	39	77.9 Å²	77.9	40%	0.402	48%	0.479	S	S	.	.			trans	-70.2	139.2	172.9	0	0	0	0	0	109.7	N748 S754	N748-G750 PolarHBondContact O-N 3.13Å; G750-S754 WeakPolarHBondContact CA-OG 3.4Å; G750-S754 PolarHBondContact O-OG 3.4Å; G750-S754 VanDerWaalsContact O-OG 3.13Å
751	G	37.7	Very low	56.1	Low	59 Å²	59	74.5 Å²	74.5	61%	0.608	44%	0.444	S	S	*	.			trans	-57.6	-178	-174	0	0	0	0	0	113.2	F753 S754	G751-F753 PolarHBondContact O-N 2.96Å; G751-S754 PolarHBondContact O-N 2.62Å; G751-S754 PolarHBondContact O-OG 3.23Å
752	L	47.5	Very low	58.1	Low	172 Å²	172	72.2 Å²	72.2	90%	0.901	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-43.6	-12.8	-175.7	-105.7	101.6	0	0	0	117.3
753	F	46.2	Very low	60.4	Low	205 Å²	205	65.2 Å²	65.2	90%	0.899	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.9	4.9	-176.3	-56.2	-70.6	0	0	0	115.8	G751	G751-F753 PolarHBondContact O-N 2.96Å
754	S	42.5	Very low	62.3	Low	59 Å²	59	63.9 Å²	63.9	41%	0.413	39%	0.385	S	S	.	.	P	Polyproline II helix	trans	-91.2	134.7	171.7	65.9	0	0	0	0	111.4	G750 G751	G750-S754 WeakPolarHBondContact CA-OG 3.4Å; G750-S754 PolarHBondContact O-OG 3.4Å; G750-S754 VanDerWaalsContact O-OG 3.13Å; G751-S754 PolarHBondContact O-N 2.62Å; G751-S754 PolarHBondContact O-OG 3.23Å
755	T	47	Very low	64	Low	102 Å²	102	66.8 Å²	66.8	63%	0.626	40%	0.398	S	S	*	.	P	Polyproline II helix	trans	-65.9	131.2	165.2	41.6	0	0	0	0	109.1	M757	T755-M757 PolarHBondContact O-N 3.38Å
756	P	55.6	Low	65.8	Low	97 Å²	97	65.2 Å²	65.2	63%	0.63	39%	0.394	S	S	*	.	P	Polyproline II helix	trans	-57.4	128.5	171.7	22.8	-30.1	0	0	0	108.3	N748	N748-P756 WeakPolarHBondContact OD1-CA 3.34Å; N748-P756 WeakPolarHBondContact OD1-CB 3.42Å
757	M	62.8	Low	67.8	Low	90 Å²	90	62 Å²	62	44%	0.443	37%	0.371	S	S	.	.	P	Polyproline II helix	trans	-89	131.3	178.9	-75.3	-75.2	158.8	0	0	108	N748 T755	N748-M757 PolarHBondContact OD1-N 3.09Å; N748-M757 PolarHBondContact OD1-O 3.02Å; T755-M757 PolarHBondContact O-N 3.38Å
758	D	76.3	Confident	70	Confident	70 Å²	70	59.4 Å²	59.4	37%	0.374	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-63.3	140.6	174.8	-62.3	-31.9	0	0	0	110.2	I734 P773 L813	I734-D758 HydrophobicContact CG2-CB 3.29Å; D758-P773 WeakPolarHBondContact O-CG 3.37Å; D758-L813 HydrophobicContact CB-CD1 4.02Å; D758-L813 VanDerWaalsContact CG-CD1 3.43Å; D758-L813 WeakPolarHBondContact OD1-CD1 3Å
759	D	88.9	Confident	72	Confident	17 Å²	17	55.9 Å²	55.9	9%	0.091	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	152.6	177.9	-59.6	-61.8	0	0	0	110.6	I734 V735 F737 T747	I734-D759 WeakPolarHBondContact CA-O 3.23Å; V735-D759 HydrophobicContact CG2-CB 4.23Å; V735-D759 PolarHBondContact N-O 2.98Å; V735-D759 PolarHBondContact O-N 3.46Å; F737-D759 HydrophobicContact CD2-CB 3.71Å; F737-D759 WeakPolarHBondContact CD2-OD2 3.46Å; F737-D759 HydrophobicContact CE2-CB 3.66Å; T747-D759 PolarHBondContact OG1-OD1 3.32Å; T747-D759 VanDerWaalsContact OG1-OD1 3.13Å
760	I	94.8	Very high	74.3	Confident	1 Å²	1	53.3 Å²	53.3	1%	0.005	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	131.6	178.1	-65.3	-178.8	0	0	0	109.6	L274 V275 Y732 F733 V771 P773	L274-I760 HydrophobicContact CB-CD1 3.84Å; V275-I760 HydrophobicContact CG2-CD1 4Å; Y732-I760 HydrophobicContact CD1-CG2 3.89Å; F733-I760 WeakPolarHBondContact O-CA 3.45Å; I760-V771 PolarHBondContact O-N 2.9Å; I760-P773 HydrophobicContact CB-CG 4.49Å; I760-P773 HydrophobicContact CD1-CB 3.82Å; I760-P773 HydrophobicContact CD1-CG 4.11Å; I760-P773 HydrophobicContact CG1-CB 4.32Å; I760-P773 HydrophobicContact CG1-CG 4.06Å
761	I	95.8	Very high	76.6	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	153.1	166.2	64.3	171.9	0	0	0	110.3	Y732 F733 V735 F737 I768 E769 V770 F810 I820	Y732-I761 CarbonylContact C-O 3.57Å; Y732-I761 VanDerWaalsContact CA-O 3.31Å; Y732-I761 WeakPolarHBondContact CA-O 3.29Å; F733-I761 HydrophobicContact CB-CG1 3.98Å; F733-I761 PolarHBondContact N-O 3.06Å; F733-I761 PolarHBondContact O-N 3.45Å; V735-I761 HydrophobicContact CG1-CD1 3.79Å; V735-I761 HydrophobicContact CG1-CG1 3.79Å; V735-I761 HydrophobicContact CG2-CG1 4.33Å; V735-I761 HydrophobicContact CG2-CG2 3.78Å; F737-I761 HydrophobicContact CE2-CG2 4.36Å; F737-I761 HydrophobicContact CZ-CG2 3.68Å; I761-I768 HydrophobicContact CB-CG2 4.38Å; I761-I768 HydrophobicContact CD1-CG2 4.48Å; I761-E769 CarbonylContact C-O 3.54Å; I761-E769 WeakPolarHBondContact CA-O 3.41Å; I761-V770 HydrophobicContact CG2-CG2 4.3Å; I761-F810 HydrophobicContact CD1-CD2 4.45Å; I761-F810 HydrophobicContact CD1-CE1 4.24Å; I761-F810 HydrophobicContact CD1-CE2 3.72Å; I761-F810 HydrophobicContact CD1-CZ 3.6Å; I761-I820 HydrophobicContact CD1-CD1 4.35Å
762	A	95.7	Very high	78.8	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	122.3	168.3	0	0	0	0	0	109.4	R730 S731 Y732 I768 E769 V771	R730-A762 HydrophobicContact CB-CB 4.23Å; R730-A762 HydrophobicContact CG-CB 4.28Å; S731-A762 CarbonylContact O-C 3.59Å; S731-A762 WeakPolarHBondContact O-CA 3.35Å; Y732-A762 HydrophobicContact CD1-CB 3.74Å; Y732-A762 HydrophobicContact CE1-CB 3.78Å; A762-I768 WeakPolarHBondContact O-CA 3.36Å; A762-E769 HydrophobicContact CB-CB 4.35Å; A762-E769 PolarHBondContact N-O 2.83Å; A762-E769 PolarHBondContact O-N 2.94Å; A762-V771 HydrophobicContact CB-CG2 4.13Å
763	I	96.5	Very high	80.7	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	123.6	172.6	-53.1	174.8	0	0	0	107.6	S731 F733 F784 I820 F823 I824 Y827	S731-I763 PolarHBondContact N-O 3.13Å; S731-I763 PolarHBondContact O-N 3.2Å; F733-I763 HydrophobicContact CD2-CD1 3.8Å; F733-I763 HydrophobicContact CD2-CG1 3.95Å; F733-I763 HydrophobicContact CE2-CB 4.21Å; F733-I763 HydrophobicContact CE2-CD1 3.57Å; F733-I763 HydrophobicContact CE2-CG1 3.87Å; F733-I763 HydrophobicContact CZ-CD1 4.46Å; I763-F784 HydrophobicContact CG2-CZ 4.25Å; I763-I820 HydrophobicContact CD1-CB 4.3Å; I763-I820 HydrophobicContact CD1-CG1 4.26Å; I763-I820 HydrophobicContact CD1-CG2 3.81Å; I763-F823 HydrophobicContact CB-CB 4.44Å; I763-F823 HydrophobicContact CD1-CB 3.86Å; I763-F823 HydrophobicContact CG2-CB 4.08Å; I763-I824 HydrophobicContact CD1-CG1 4.28Å; I763-I824 HydrophobicContact CG2-CG1 4.35Å; I763-Y827 HydrophobicContact CG2-CD2 4.02Å; I763-Y827 HydrophobicContact CG2-CE2 4.17Å
764	C	92.6	Very high	82.5	Confident	1 Å²	1	38.2 Å²	38.2	1%	0.007	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	171.9	-176.8	-48.6	0	0	0	0	110	G729 R730 G766 R767	G729-C764 WeakPolarHBondContact O-CA 3.37Å; R730-C764 VanDerWaalsContact CG-SG 3.57Å; C764-G766 PolarHBondContact O-N 3.15Å; C764-R767 HydrophobicContact CB-CG 3.91Å; C764-R767 PolarHBondContact N-O 3.38Å; C764-R767 PolarHBondContact O-N 2.97Å
765	Q	89.9	Confident	84.4	Confident	92 Å²	92	39.3 Å²	39.3	43%	0.43	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	115	167.2	-172.8	-176.9	11.1	0	0	110.3	T322 R767 Y827	T322-Q765 WeakPolarHBondContact OG1-CG 3.33Å; T322-Q765 PolarHBondContact OG1-NE2 2.89Å; Q765-R767 VanDerWaalsContact C-N 3.35Å; Q765-R767 PolarHBondContact O-N 2.86Å; Q765-R767 PolarHBondContact O-NH1 3.07Å; Q765-Y827 HydrophobicContact CB-CD1 4.13Å; Q765-Y827 HydrophobicContact CB-CE1 4.06Å; Q765-Y827 HydrophobicContact CG-CD1 4.41Å
766	G	86.9	Confident	86.2	Confident	35 Å²	35	35.7 Å²	35.7	36%	0.361	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	80	0.4	173.5	0	0	0	0	0	116.2	C764 F784	C764-G766 PolarHBondContact O-N 3.15Å; G766-F784 VanDerWaalsContact CA-CD2 3.49Å; G766-F784 PolarHBondContact O-N 3.39Å
767	R	89.1	Confident	87.4	Confident	77 Å²	77	35.7 Å²	35.7	29%	0.291	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.7	161.7	-175.8	66.5	-174.5	-176.9	-74.1	-6.7	114.2	C764 Q765 E769 T781 W782	C764-R767 HydrophobicContact CB-CG 3.91Å; C764-R767 PolarHBondContact N-O 3.38Å; C764-R767 PolarHBondContact O-N 2.97Å; Q765-R767 VanDerWaalsContact C-N 3.35Å; Q765-R767 PolarHBondContact O-N 2.86Å; Q765-R767 PolarHBondContact O-NH1 3.07Å; R767-E769 HydrophobicContact CG-CG 4.48Å; R767-E769 IonicContact CZ-OE1 3.65Å; R767-E769 IonicContact NE-OE1 2.7Å; R767-E769 PolarHBondContact NE-OE1 3.46Å; R767-E769 IonicContact NH2-OE1 3.74Å; R767-E769 PolarHBondContact NH2-OE1 3.42Å; R767-T781 HydrophobicContact CB-CG2 4.14Å; R767-T781 HydrophobicContact CG-CG2 4.47Å; R767-W782 CarbonylContact C-O 3.53Å; R767-W782 VanDerWaalsContact CA-O 3.22Å; R767-W782 WeakPolarHBondContact CA-O 3.28Å; R767-W782 WeakPolarHBondContact CB-O 3.34Å
768	I	93	Very high	88.3	Confident	1 Å²	1	32.6 Å²	32.6	1%	0.005	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	126.1	173.3	-53.6	178.6	0	0	0	108	I761 A762 T781 W782 F784 L801 F803 I824	I761-I768 HydrophobicContact CB-CG2 4.38Å; I761-I768 HydrophobicContact CD1-CG2 4.48Å; A762-I768 WeakPolarHBondContact O-CA 3.36Å; I768-T781 CarbonylContact O-C 3.56Å; I768-T781 VanDerWaalsContact O-CA 3.3Å; I768-T781 WeakPolarHBondContact O-CA 3.33Å; I768-W782 HydrophobicContact CB-CE3 4.14Å; I768-W782 HydrophobicContact CG2-CE3 3.95Å; I768-W782 HydrophobicContact CG2-CZ3 4.3Å; I768-W782 PolarHBondContact N-O 2.85Å; I768-W782 PolarHBondContact O-N 3.34Å; I768-F784 HydrophobicContact CD1-CE1 4.04Å; I768-F784 HydrophobicContact CG1-CD1 4.43Å; I768-F784 HydrophobicContact CG1-CE1 3.65Å; I768-L801 HydrophobicContact CD1-CD1 3.35Å; I768-F803 HydrophobicContact CD1-CZ 4.39Å; I768-I824 HydrophobicContact CD1-CD1 3.99Å; I768-I824 HydrophobicContact CD1-CG1 4.33Å
769	E	89.6	Confident	88.5	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	131.5	-179.7	-62.8	172.8	175.2	0	0	109.4	R730 I761 A762 R767 V771 I778 L780 T781	R730-E769 IonicContact CZ-OE2 3.8Å; R730-E769 VanDerWaalsContact CZ-OE2 3.23Å; R730-E769 IonicContact NE-OE1 3.39Å; R730-E769 IonicContact NE-OE2 2.61Å; R730-E769 PolarHBondContact NE-OE2 3.34Å; R730-E769 IonicContact NH2-OE1 3.46Å; R730-E769 PolarHBondContact NH2-OE1 2.9Å; R730-E769 IonicContact NH2-OE2 2.78Å; R730-E769 PolarHBondContact NH2-OE2 3.49Å; I761-E769 CarbonylContact C-O 3.54Å; I761-E769 WeakPolarHBondContact CA-O 3.41Å; A762-E769 HydrophobicContact CB-CB 4.35Å; A762-E769 PolarHBondContact N-O 2.83Å; A762-E769 PolarHBondContact O-N 2.94Å; R767-E769 HydrophobicContact CG-CG 4.48Å; R767-E769 IonicContact CZ-OE1 3.65Å; R767-E769 IonicContact NE-OE1 2.7Å; R767-E769 PolarHBondContact NE-OE1 3.46Å; R767-E769 IonicContact NH2-OE1 3.74Å; R767-E769 PolarHBondContact NH2-OE1 3.42Å; E769-V771 HydrophobicContact CB-CG2 4.1Å; E769-I778 HydrophobicContact CB-CG2 4.09Å; E769-I778 HydrophobicContact CG-CG2 4.21Å; E769-L780 CarbonylContact C-O 3.57Å; E769-L780 WeakPolarHBondContact CA-O 3.21Å; E769-T781 HydrophobicContact CG-CG2 4.16Å
770	V	90.9	Very high	88.1	Confident	2 Å²	2	32.3 Å²	32.3	1%	0.012	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	129.4	163.6	-175	0	0	0	0	107.4	F737 L744 I761 I778 L779 L780 W782	F737-V770 HydrophobicContact CE2-CG1 4.25Å; F737-V770 HydrophobicContact CE2-CG2 4.49Å; F737-V770 HydrophobicContact CZ-CG1 4.48Å; F737-V770 HydrophobicContact CZ-CG2 3.94Å; L744-V770 HydrophobicContact CD2-CG1 4.09Å; I761-V770 HydrophobicContact CG2-CG2 4.3Å; V770-I778 CarbonylContact O-C 3.43Å; V770-I778 WeakPolarHBondContact O-CA 3.1Å; V770-L779 HydrophobicContact CB-CB 4.44Å; V770-L779 HydrophobicContact CG1-CB 4.34Å; V770-L779 HydrophobicContact CG1-CD1 4.37Å; V770-L779 PolarHBondContact O-N 3.38Å; V770-L780 HydrophobicContact CB-CB 3.92Å; V770-L780 HydrophobicContact CG2-CB 3.86Å; V770-L780 HydrophobicContact CG2-CD2 4.33Å; V770-L780 HydrophobicContact CG2-CG 4.48Å; V770-L780 PolarHBondContact N-O 2.86Å; V770-L780 PolarHBondContact O-N 3.18Å; V770-W782 HydrophobicContact CG2-CE3 4.34Å; V770-W782 HydrophobicContact CG2-CH2 3.55Å; V770-W782 HydrophobicContact CG2-CZ3 3.42Å; V770-W782 VanDerWaalsContact CG2-CZ3 3.42Å
771	V	88.5	Confident	87.6	Confident	3 Å²	3	33.1 Å²	33.1	2%	0.018	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	136	-170.2	-176.9	0	0	0	0	110.1	L274 Y732 I760 A762 E769 P773 G776 E777	L274-V771 HydrophobicContact CD1-CG1 4.16Å; Y732-V771 HydrophobicContact CE1-CG1 4.49Å; Y732-V771 HydrophobicContact CE1-CG2 4.38Å; I760-V771 PolarHBondContact O-N 2.9Å; A762-V771 HydrophobicContact CB-CG2 4.13Å; E769-V771 HydrophobicContact CB-CG2 4.1Å; V771-P773 WeakPolarHBondContact O-CD 3.48Å; V771-G776 WeakPolarHBondContact CG1-O 3.42Å; V771-E777 CarbonylContact C-O 3.59Å; V771-E777 WeakPolarHBondContact CA-O 3.39Å
772	S	85.1	Confident	87.2	Confident	13 Å²	13	34.1 Å²	34.1	9%	0.091	19%	0.185	C	C	.	.			trans	-61	123.9	171	170.8	0	0	0	0	109.9	L274 Q774 T775 G776 E777	L274-S772 WeakPolarHBondContact CD1-O 3.37Å; S772-Q774 PolarHBondContact O-N 3.08Å; S772-Q774 PolarHBondContact OG-N 3.44Å; S772-Q774 PolarHBondContact OG-OE1 3.21Å; S772-Q774 VanDerWaalsContact OG-OE1 3.1Å; S772-T775 VanDerWaalsContact CB-OG1 3.23Å; S772-T775 WeakPolarHBondContact CB-OG1 3.35Å; S772-T775 PolarHBondContact OG-N 2.71Å; S772-T775 PolarHBondContact OG-OG1 3.12Å; S772-G776 WeakPolarHBondContact O-CA 3.42Å; S772-G776 PolarHBondContact O-N 2.9Å; S772-E777 PolarHBondContact N-O 3.47Å
773	P	86.5	Confident	86.7	Confident	19 Å²	19	34.8 Å²	34.8	12%	0.123	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-25.6	177.5	-23.4	33.1	0	0	0	114	D758 I760 V771	D758-P773 WeakPolarHBondContact O-CG 3.37Å; I760-P773 HydrophobicContact CB-CG 4.49Å; I760-P773 HydrophobicContact CD1-CB 3.82Å; I760-P773 HydrophobicContact CD1-CG 4.11Å; I760-P773 HydrophobicContact CG1-CB 4.32Å; I760-P773 HydrophobicContact CG1-CG 4.06Å; V771-P773 WeakPolarHBondContact O-CD 3.48Å
774	Q	85.3	Confident	86.3	Confident	123 Å²	123	35 Å²	35	58%	0.575	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.7	-47.9	-175.3	-57.5	78.6	13.7	0	0	112.2	S772	S772-Q774 PolarHBondContact O-N 3.08Å; S772-Q774 PolarHBondContact OG-N 3.44Å; S772-Q774 PolarHBondContact OG-OE1 3.21Å; S772-Q774 VanDerWaalsContact OG-OE1 3.1Å
775	T	82.3	Confident	85.9	Confident	83 Å²	83	35.4 Å²	35.4	51%	0.509	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-21.7	-174.1	64.2	0	0	0	0	113.1	S772 E777	S772-T775 VanDerWaalsContact CB-OG1 3.23Å; S772-T775 WeakPolarHBondContact CB-OG1 3.35Å; S772-T775 PolarHBondContact OG-N 2.71Å; S772-T775 PolarHBondContact OG-OG1 3.12Å; T775-E777 PolarHBondContact O-N 3.5Å; T775-E777 VanDerWaalsContact OG1-CB 3.3Å; T775-E777 WeakPolarHBondContact OG1-CB 3.34Å; T775-E777 VanDerWaalsContact OG1-CG 3.3Å; T775-E777 WeakPolarHBondContact OG1-CG 3.48Å; T775-E777 PolarHBondContact OG1-N 2.95Å; T775-E777 PolarHBondContact OG1-OE2 3.3Å
776	G	83.9	Confident	85.8	Confident	25 Å²	25	33 Å²	33	26%	0.258	18%	0.182	S	C	.	.			trans	71.4	9.3	-169.4	0	0	0	0	0	114.1	V771 S772	V771-G776 WeakPolarHBondContact CG1-O 3.42Å; S772-G776 WeakPolarHBondContact O-CA 3.42Å; S772-G776 PolarHBondContact O-N 2.9Å
777	E	80.7	Confident	86	Confident	97 Å²	97	31.6 Å²	31.6	45%	0.453	17%	0.166	S	C	.	.			trans	-72.1	143.8	174.9	-68.9	169.4	156.6	0	0	110.6	V771 S772 T775 L779	V771-E777 CarbonylContact C-O 3.59Å; V771-E777 WeakPolarHBondContact CA-O 3.39Å; S772-E777 PolarHBondContact N-O 3.47Å; T775-E777 PolarHBondContact O-N 3.5Å; T775-E777 VanDerWaalsContact OG1-CB 3.3Å; T775-E777 WeakPolarHBondContact OG1-CB 3.34Å; T775-E777 VanDerWaalsContact OG1-CG 3.3Å; T775-E777 WeakPolarHBondContact OG1-CG 3.48Å; T775-E777 PolarHBondContact OG1-N 2.95Å; T775-E777 PolarHBondContact OG1-OE2 3.3Å; E777-L779 PolarHBondContact O-N 3.08Å
778	I	81.7	Confident	86	Confident	26 Å²	26	34.5 Å²	34.5	13%	0.133	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	113.7	180	-59.3	159.4	0	0	0	107.3	T560 E769 V770 L780 T781	T560-I778 HydrophobicContact CG2-CD1 3.39Å; E769-I778 HydrophobicContact CB-CG2 4.09Å; E769-I778 HydrophobicContact CG-CG2 4.21Å; V770-I778 CarbonylContact O-C 3.43Å; V770-I778 WeakPolarHBondContact O-CA 3.1Å; I778-L780 WeakPolarHBondContact CG2-O 3.26Å; I778-T781 VanDerWaalsContact CG2-OG1 3.28Å; I778-T781 WeakPolarHBondContact CG2-OG1 3.49Å
779	L	81.1	Confident	85.9	Confident	50 Å²	50	35.7 Å²	35.7	26%	0.262	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	-40.6	-179.6	-57.2	180	0	0	0	111.2	P745 V770 E777	P745-L779 HydrophobicContact CG-CD1 4.17Å; V770-L779 HydrophobicContact CB-CB 4.44Å; V770-L779 HydrophobicContact CG1-CB 4.34Å; V770-L779 HydrophobicContact CG1-CD1 4.37Å; V770-L779 PolarHBondContact O-N 3.38Å; E777-L779 PolarHBondContact O-N 3.08Å
780	L	81.3	Confident	86.1	Confident	31 Å²	31	37 Å²	37	16%	0.162	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	155.3	-177.3	-174.5	61.3	0	0	0	109.9	S606 L744 E769 V770 I778 W782	S606-L780 WeakPolarHBondContact OG-CD1 3.28Å; L744-L780 HydrophobicContact CD1-CD2 4.34Å; E769-L780 CarbonylContact C-O 3.57Å; E769-L780 WeakPolarHBondContact CA-O 3.21Å; V770-L780 HydrophobicContact CB-CB 3.92Å; V770-L780 HydrophobicContact CG2-CB 3.86Å; V770-L780 HydrophobicContact CG2-CD2 4.33Å; V770-L780 HydrophobicContact CG2-CG 4.48Å; V770-L780 PolarHBondContact N-O 2.86Å; V770-L780 PolarHBondContact O-N 3.18Å; I778-L780 WeakPolarHBondContact CG2-O 3.26Å; L780-W782 HydrophobicContact CD2-CH2 3.83Å; L780-W782 HydrophobicContact CD2-CZ2 3.3Å; L780-W782 HydrophobicContact CG-CZ2 4.23Å
781	T	83.6	Confident	86.1	Confident	18 Å²	18	41 Å²	41	11%	0.11	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	134.6	176.3	-54.5	0	0	0	0	109.5	R608 R767 I768 E769 I778	R608-T781 VanDerWaalsContact NH2-CB 3.32Å; R608-T781 PolarHBondContact NH2-OG1 3.01Å; R767-T781 HydrophobicContact CB-CG2 4.14Å; R767-T781 HydrophobicContact CG-CG2 4.47Å; I768-T781 CarbonylContact O-C 3.56Å; I768-T781 VanDerWaalsContact O-CA 3.3Å; I768-T781 WeakPolarHBondContact O-CA 3.33Å; E769-T781 HydrophobicContact CG-CG2 4.16Å; I778-T781 VanDerWaalsContact CG2-OG1 3.28Å; I778-T781 WeakPolarHBondContact CG2-OG1 3.49Å
782	W	86.6	Confident	86.2	Confident	21 Å²	21	41.9 Å²	41.9	8%	0.08	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	138.8	169.4	-58.7	-75	0	0	0	109.6	F737 L741 R767 I768 V770 L780 F803 V808	F737-W782 AromaticContact CE1-CH2 3.94Å; F737-W782 HydrophobicContact CE1-CH2 3.94Å; F737-W782 HydrophobicContact CE1-CZ3 4.46Å; F737-W782 HydrophobicContact CZ-CH2 4.18Å; F737-W782 HydrophobicContact CZ-CZ3 4.5Å; L741-W782 HydrophobicContact CD2-CZ2 4.3Å; R767-W782 CarbonylContact C-O 3.53Å; R767-W782 VanDerWaalsContact CA-O 3.22Å; R767-W782 WeakPolarHBondContact CA-O 3.28Å; R767-W782 WeakPolarHBondContact CB-O 3.34Å; I768-W782 HydrophobicContact CB-CE3 4.14Å; I768-W782 HydrophobicContact CG2-CE3 3.95Å; I768-W782 HydrophobicContact CG2-CZ3 4.3Å; I768-W782 PolarHBondContact N-O 2.85Å; I768-W782 PolarHBondContact O-N 3.34Å; V770-W782 HydrophobicContact CG2-CE3 4.34Å; V770-W782 HydrophobicContact CG2-CH2 3.55Å; V770-W782 HydrophobicContact CG2-CZ3 3.42Å; V770-W782 VanDerWaalsContact CG2-CZ3 3.42Å; L780-W782 HydrophobicContact CD2-CH2 3.83Å; L780-W782 HydrophobicContact CD2-CZ2 3.3Å; L780-W782 HydrophobicContact CG-CZ2 4.23Å; W782-F803 HydrophobicContact CB-CD1 4.04Å; W782-F803 HydrophobicContact CB-CD2 4.4Å; W782-F803 HydrophobicContact CB-CE1 3.44Å; W782-F803 VanDerWaalsContact CB-CE1 3.44Å; W782-F803 HydrophobicContact CB-CE2 3.82Å; W782-F803 HydrophobicContact CB-CG 4.5Å; W782-F803 HydrophobicContact CB-CZ 3.31Å; W782-F803 AromaticContact CD1-CD2 3.83Å; W782-F803 AromaticContact CD1-CE2 3.81Å; W782-F803 HydrophobicContact CD2-CE2 4Å; W782-F803 HydrophobicContact CD2-CZ 4.24Å; W782-F803 HydrophobicContact CG-CD2 4.11Å; W782-F803 HydrophobicContact CG-CE1 4.16Å; W782-F803 AromaticContact CG-CE2 3.63Å; W782-F803 HydrophobicContact CG-CE2 3.63Å; W782-F803 AromaticContact CG-CZ 3.67Å; W782-F803 HydrophobicContact CG-CZ 3.67Å; W782-V808 HydrophobicContact CH2-CB 4.24Å; W782-V808 HydrophobicContact CH2-CG1 4.12Å; W782-V808 HydrophobicContact CH2-CG2 3.83Å; W782-V808 HydrophobicContact CZ2-CB 3.99Å; W782-V808 HydrophobicContact CZ2-CG1 4Å; W782-V808 HydrophobicContact CZ2-CG2 4.01Å; W782-V808 HydrophobicContact CZ3-CG1 4.44Å
783	N	85.6	Confident	86.5	Confident	14 Å²	14	44.5 Å²	44.5	8%	0.075	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	150.2	179.4	-49	-64.9	0	0	0	111	D558 S785 D786 L787 F803	D558-N783 PolarHBondContact OD1-ND2 2.87Å; D558-N783 PolarHBondContact OD1-OD1 3.45Å; D558-N783 PolarHBondContact OD2-ND2 3.3Å; N783-S785 PolarHBondContact O-N 3.2Å; N783-D786 PolarHBondContact ND2-OD2 3.31Å; N783-D786 VanDerWaalsContact ND2-OD2 3.13Å; N783-D786 PolarHBondContact O-N 3.43Å; N783-L787 PolarHBondContact O-N 3.18Å; N783-F803 WeakPolarHBondContact O-CE1 3.3Å
784	F	88.9	Confident	86.6	Confident	4 Å²	4	46.1 Å²	46.1	2%	0.018	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-67.3	-24.9	172.2	-67.3	-8.3	0	0	0	112.4	L472 I763 G766 I768 D786 L787 I824 I828	L472-F784 HydrophobicContact CD2-CB 3.76Å; I763-F784 HydrophobicContact CG2-CZ 4.25Å; G766-F784 VanDerWaalsContact CA-CD2 3.49Å; G766-F784 PolarHBondContact O-N 3.39Å; I768-F784 HydrophobicContact CD1-CE1 4.04Å; I768-F784 HydrophobicContact CG1-CD1 4.43Å; I768-F784 HydrophobicContact CG1-CE1 3.65Å; F784-D786 PolarHBondContact O-N 2.96Å; F784-L787 HydrophobicContact CD1-CD2 4.33Å; F784-L787 VanDerWaalsContact O-CB 3.31Å; F784-L787 WeakPolarHBondContact O-CB 3.18Å; F784-L787 PolarHBondContact O-N 2.95Å; F784-L787 VanDerWaalsContact O-N 3.1Å; F784-I824 HydrophobicContact CE1-CG1 4.47Å; F784-I824 HydrophobicContact CE1-CG2 4.2Å; F784-I824 HydrophobicContact CZ-CB 4.42Å; F784-I824 HydrophobicContact CZ-CG1 4.38Å; F784-I824 HydrophobicContact CZ-CG2 4.16Å; F784-I828 HydrophobicContact CD2-CG1 3.78Å; F784-I828 HydrophobicContact CE2-CG1 4.11Å; F784-I828 HydrophobicContact CG-CG1 4.39Å
785	S	84	Confident	86.7	Confident	9 Å²	9	46.8 Å²	46.8	6%	0.063	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-61.4	-26.4	173.2	60.8	0	0	0	0	113.2	R557 N783 R804	R557-S785 PolarHBondContact NH2-OG 3.48Å; N783-S785 PolarHBondContact O-N 3.2Å; S785-R804 PolarHBondContact O-NE 3.06Å; S785-R804 PolarHBondContact O-NH2 3.17Å
786	D	86.7	Confident	87	Confident	42 Å²	42	44.7 Å²	44.7	23%	0.225	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-95.8	-7.8	-179.9	-52.7	-39.4	0	0	0	111.9	N783 F784 R788 F803 R804	N783-D786 PolarHBondContact ND2-OD2 3.31Å; N783-D786 VanDerWaalsContact ND2-OD2 3.13Å; N783-D786 PolarHBondContact O-N 3.43Å; F784-D786 PolarHBondContact O-N 2.96Å; D786-R788 PolarHBondContact O-N 3.14Å; D786-F803 HydrophobicContact CB-CB 4.44Å; D786-F803 HydrophobicContact CB-CD1 4.21Å; D786-F803 CarbonylContact O-C 3.55Å; D786-F803 WeakPolarHBondContact O-CA 3.43Å; D786-R804 HydrophobicContact CB-CG 4.42Å; D786-R804 PolarHBondContact O-N 3.48Å; D786-R804 IonicContact OD1-NE 3.95Å
787	L	91.6	Very high	87.4	Confident	5 Å²	5	48 Å²	48	3%	0.026	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	121.2	-177.5	-174.1	69.6	0	0	0	109.5	L469 N783 F784 S789 W790 L801 F803 I824 I828	L469-L787 VanDerWaalsContact CD2-O 3.31Å; L469-L787 WeakPolarHBondContact CD2-O 3.28Å; N783-L787 PolarHBondContact O-N 3.18Å; F784-L787 HydrophobicContact CD1-CD2 4.33Å; F784-L787 VanDerWaalsContact O-CB 3.31Å; F784-L787 WeakPolarHBondContact O-CB 3.18Å; F784-L787 PolarHBondContact O-N 2.95Å; F784-L787 VanDerWaalsContact O-N 3.1Å; L787-S789 WeakPolarHBondContact CD1-O 2.98Å; L787-W790 HydrophobicContact CD2-CD2 4.41Å; L787-W790 HydrophobicContact CD2-CE3 3.67Å; L787-W790 HydrophobicContact CD2-CZ3 4.32Å; L787-W790 HydrophobicContact CG-CE3 4.22Å; L787-L801 HydrophobicContact CD1-CB 4.07Å; L787-L801 HydrophobicContact CD1-CD2 4.49Å; L787-F803 HydrophobicContact CB-CD1 4.01Å; L787-F803 HydrophobicContact CB-CE1 3.89Å; L787-F803 HydrophobicContact CD1-CD1 3.98Å; L787-F803 HydrophobicContact CD1-CE1 3.57Å; L787-F803 HydrophobicContact CD1-CE2 4.39Å; L787-F803 HydrophobicContact CD1-CZ 3.8Å; L787-F803 HydrophobicContact CG-CE1 4.31Å; L787-I824 HydrophobicContact CD2-CG2 3.94Å; L787-I828 HydrophobicContact CD2-CD1 4.06Å
788	R	90.2	Very high	87.9	Confident	139 Å²	139	45.7 Å²	45.7	53%	0.525	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	-35.4	177.3	-66.5	-175.2	175	-126.3	3.6	112.7	L469 D786 E802 R804	L469-R788 VanDerWaalsContact CD1-C 3.5Å; L469-R788 WeakPolarHBondContact CD1-O 3.47Å; D786-R788 PolarHBondContact O-N 3.14Å; R788-E802 HydrophobicContact CB-CG 4.39Å; R788-E802 PolarHBondContact N-O 3.35Å; R788-R804 HydrophobicContact CG-CG 4.49Å
789	S	91	Very high	88.5	Confident	26 Å²	26	44.5 Å²	44.5	18%	0.182	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	150.6	178	75.6	0	0	0	0	111	L787 N791 E802	L787-S789 WeakPolarHBondContact CD1-O 2.98Å; S789-N791 PolarHBondContact OG-ND2 3.09Å; S789-E802 PolarHBondContact N-O 2.84Å; S789-E802 PolarHBondContact O-N 3.48Å; S789-E802 VanDerWaalsContact OG-CB 3.28Å; S789-E802 WeakPolarHBondContact OG-CB 3.22Å; S789-E802 PolarHBondContact OG-OE2 3.42Å
790	W	93	Very high	89.2	Confident	28 Å²	28	44.1 Å²	44.1	11%	0.106	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	120.8	168.4	63.4	93	0	0	0	108.6	V465 L469 L787 I800 L801 I824 I828 L849	V465-W790 HydrophobicContact CG1-CH2 4.07Å; V465-W790 HydrophobicContact CG1-CZ3 4.45Å; L469-W790 HydrophobicContact CD1-CZ3 4.13Å; L469-W790 HydrophobicContact CD2-CZ3 4Å; L469-W790 HydrophobicContact CG-CZ3 4.34Å; L787-W790 HydrophobicContact CD2-CD2 4.41Å; L787-W790 HydrophobicContact CD2-CE3 3.67Å; L787-W790 HydrophobicContact CD2-CZ3 4.32Å; L787-W790 HydrophobicContact CG-CE3 4.22Å; W790-I800 WeakPolarHBondContact CA-O 3.5Å; W790-L801 HydrophobicContact CB-CD2 3.49Å; W790-L801 VanDerWaalsContact CB-CD2 3.49Å; W790-I824 HydrophobicContact CD2-CG2 4.23Å; W790-I824 HydrophobicContact CG-CG2 4.22Å; W790-I828 HydrophobicContact CE3-CD1 4.04Å; W790-I828 HydrophobicContact CH2-CD1 3.67Å; W790-I828 HydrophobicContact CZ2-CD1 4.17Å; W790-I828 HydrophobicContact CZ3-CD1 3.59Å; W790-L849 HydrophobicContact CH2-CD2 3.72Å; W790-L849 HydrophobicContact CZ2-CB 4.36Å; W790-L849 HydrophobicContact CZ2-CD2 3.85Å; W790-L849 WeakPolarHBondContact CZ2-O 3.32Å; W790-L849 PolarHBondContact NE1-O 2.94Å
791	N	90.6	Very high	89.8	Confident	85 Å²	85	42.7 Å²	42.7	46%	0.455	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	156	-173.3	-71.9	-65.2	0	0	0	110.5	S789 I800	S789-N791 PolarHBondContact OG-ND2 3.09Å; N791-I800 PolarHBondContact N-O 2.92Å; N791-I800 PolarHBondContact O-N 3.03Å
792	V	91.5	Very high	90.2	Very high	21 Å²	21	45.7 Å²	45.7	13%	0.127	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	119.3	172.7	-173.2	0	0	0	0	109.5	W794 K798 C817 V821	V792-W794 HydrophobicContact CB-CD2 4.12Å; V792-W794 HydrophobicContact CB-CE3 4.46Å; V792-W794 HydrophobicContact CB-CH2 4.32Å; V792-W794 HydrophobicContact CB-CZ2 3.98Å; V792-W794 HydrophobicContact CG1-CD2 3.56Å; V792-W794 HydrophobicContact CG1-CE3 3.53Å; V792-W794 HydrophobicContact CG1-CG 4.15Å; V792-W794 HydrophobicContact CG1-CH2 4.01Å; V792-W794 HydrophobicContact CG1-CZ2 4.04Å; V792-W794 HydrophobicContact CG1-CZ3 3.76Å; V792-W794 HydrophobicContact CG2-CH2 4.34Å; V792-W794 HydrophobicContact CG2-CZ2 4.22Å; V792-W794 PolarHBondContact O-N 3.06Å; V792-K798 CarbonylContact C-O 3.58Å; V792-K798 WeakPolarHBondContact CA-O 3.41Å; V792-C817 HydrophobicContact CG1-CB 3.52Å; V792-C817 HydrophobicContact CG2-CB 4.16Å; V792-V821 HydrophobicContact CG2-CG2 3.46Å; V792-V821 VanDerWaalsContact CG2-CG2 3.46Å
793	N	90.7	Very high	90.4	Very high	68 Å²	68	45 Å²	45	36%	0.364	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	93.6	162.1	-176.9	-25.3	0	0	0	107.8	D795 A796 E797 K798 I800	N793-D795 VanDerWaalsContact C-N 3.3Å; N793-D795 PolarHBondContact O-N 3.32Å; N793-D795 PolarHBondContact OD1-N 2.91Å; N793-A796 HydrophobicContact CB-CB 4.24Å; N793-A796 CarbonylContact O-C 3.48Å; N793-A796 PolarHBondContact O-N 3.1Å; N793-A796 PolarHBondContact OD1-N 2.76Å; N793-E797 WeakPolarHBondContact O-CA 3.24Å; N793-E797 PolarHBondContact O-N 2.78Å; N793-K798 HydrophobicContact CB-CB 4.47Å; N793-K798 PolarHBondContact N-O 3.36Å; N793-K798 PolarHBondContact O-N 2.87Å; N793-I800 HydrophobicContact CB-CD1 4Å
794	W	87.6	Confident	90.3	Very high	54 Å²	54	47.6 Å²	47.6	21%	0.205	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-39.4	-176.3	-65.9	112.7	0	0	0	112.6	T176 R178 V792 A796 E797 C817 K818 D854	T176-W794 HydrophobicContact CG2-CE3 3.8Å; T176-W794 HydrophobicContact CG2-CH2 4.32Å; T176-W794 HydrophobicContact CG2-CZ3 3.4Å; R178-W794 PolarHBondContact NH2-O 3.16Å; V792-W794 HydrophobicContact CB-CD2 4.12Å; V792-W794 HydrophobicContact CB-CE3 4.46Å; V792-W794 HydrophobicContact CB-CH2 4.32Å; V792-W794 HydrophobicContact CB-CZ2 3.98Å; V792-W794 HydrophobicContact CG1-CD2 3.56Å; V792-W794 HydrophobicContact CG1-CE3 3.53Å; V792-W794 HydrophobicContact CG1-CG 4.15Å; V792-W794 HydrophobicContact CG1-CH2 4.01Å; V792-W794 HydrophobicContact CG1-CZ2 4.04Å; V792-W794 HydrophobicContact CG1-CZ3 3.76Å; V792-W794 HydrophobicContact CG2-CH2 4.34Å; V792-W794 HydrophobicContact CG2-CZ2 4.22Å; V792-W794 PolarHBondContact O-N 3.06Å; W794-A796 VanDerWaalsContact C-N 3.35Å; W794-A796 PolarHBondContact O-N 2.91Å; W794-E797 PolarHBondContact O-N 3.42Å; W794-E797 VanDerWaalsContact O-N 3.12Å; W794-C817 HydrophobicContact CZ3-CB 4.18Å; W794-K818 HydrophobicContact CH2-CB 4.29Å; W794-D854 HydrophobicContact CZ2-CB 4.46Å
795	D	88.2	Confident	89.9	Confident	137 Å²	137	55.2 Å²	55.2	73%	0.733	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-33.8	-177.6	-65.5	-28.9	0	0	0	112.6	R178 N793	R178-D795 IonicContact CZ-OD1 3.72Å; R178-D795 IonicContact NH1-OD1 2.72Å; R178-D795 PolarHBondContact NH1-OD1 3.19Å; R178-D795 IonicContact NH2-OD1 3.58Å; N793-D795 VanDerWaalsContact C-N 3.3Å; N793-D795 PolarHBondContact O-N 3.32Å; N793-D795 PolarHBondContact OD1-N 2.91Å
796	A	88.8	Confident	89.9	Confident	38 Å²	38	57.2 Å²	57.2	31%	0.314	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-6.3	171.6	0	0	0	0	0	113.6	N793 W794 K798	N793-A796 HydrophobicContact CB-CB 4.24Å; N793-A796 CarbonylContact O-C 3.48Å; N793-A796 PolarHBondContact O-N 3.1Å; N793-A796 PolarHBondContact OD1-N 2.76Å; W794-A796 VanDerWaalsContact C-N 3.35Å; W794-A796 PolarHBondContact O-N 2.91Å; A796-K798 HydrophobicContact CB-CB 4.37Å; A796-K798 HydrophobicContact CB-CD 3.92Å; A796-K798 HydrophobicContact CB-CG 3.94Å; A796-K798 PolarHBondContact O-N 2.94Å
797	E	91.1	Very high	89.9	Confident	96 Å²	96	61.2 Å²	61.2	45%	0.449	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	51	40.3	-169	-57	-174.4	154	0	0	113.2	N793 W794 R811 C817	N793-E797 WeakPolarHBondContact O-CA 3.24Å; N793-E797 PolarHBondContact O-N 2.78Å; W794-E797 PolarHBondContact O-N 3.42Å; W794-E797 VanDerWaalsContact O-N 3.12Å; E797-R811 WeakPolarHBondContact O-CG 3.43Å; E797-R811 IonicContact OE2-NH1 2.68Å; E797-C817 PolarHBondContact O-SG 3.36Å
798	K	92.8	Very high	89.9	Confident	48 Å²	48	61 Å²	61	21%	0.209	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	142.8	-177.1	-68.4	177.2	-179.5	179.9	0	111.8	E738 V792 N793 A796 F810 R811	E738-K798 IonicContact OE1-NZ 2.77Å; E738-K798 PolarHBondContact OE1-NZ 3.04Å; E738-K798 IonicContact OE2-NZ 3.27Å; E738-K798 PolarHBondContact OE2-NZ 2.96Å; V792-K798 CarbonylContact C-O 3.58Å; V792-K798 WeakPolarHBondContact CA-O 3.41Å; N793-K798 HydrophobicContact CB-CB 4.47Å; N793-K798 PolarHBondContact N-O 3.36Å; N793-K798 PolarHBondContact O-N 2.87Å; A796-K798 HydrophobicContact CB-CB 4.37Å; A796-K798 HydrophobicContact CB-CD 3.92Å; A796-K798 HydrophobicContact CB-CG 3.94Å; A796-K798 PolarHBondContact O-N 2.94Å; K798-F810 WeakPolarHBondContact CA-O 3.4Å; K798-R811 HydrophobicContact CG-CB 4.37Å
799	V	94.7	Very high	90	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	130.3	162.8	-178.6	0	0	0	0	107.6	L801 A809 F810 P812 C817 I820 V821	V799-L801 HydrophobicContact CG1-CD2 3.68Å; V799-L801 HydrophobicContact CG1-CG 4.15Å; V799-A809 VanDerWaalsContact O-CA 3.29Å; V799-A809 WeakPolarHBondContact O-CA 3.2Å; V799-F810 HydrophobicContact CB-CD2 4.39Å; V799-F810 HydrophobicContact CB-CE2 3.89Å; V799-F810 HydrophobicContact CB-CZ 3.99Å; V799-F810 HydrophobicContact CG1-CE2 4.41Å; V799-F810 HydrophobicContact CG1-CZ 4.04Å; V799-F810 HydrophobicContact CG2-CE2 4.26Å; V799-F810 PolarHBondContact N-O 3.23Å; V799-F810 PolarHBondContact O-N 3.31Å; V799-P812 HydrophobicContact CG2-CG 4.06Å; V799-C817 HydrophobicContact CG2-CB 3.89Å; V799-I820 HydrophobicContact CG1-CG2 4.31Å; V799-I820 HydrophobicContact CG2-CB 4.42Å; V799-I820 HydrophobicContact CG2-CG2 4.12Å; V799-V821 HydrophobicContact CG1-CG2 4.47Å
800	I	93.8	Very high	90.1	Very high	43 Å²	43	53.7 Å²	53.7	22%	0.221	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	120.2	178.1	-56.1	173.3	0	0	0	107.1	W790 N791 N793 Q807 A809	W790-I800 WeakPolarHBondContact CA-O 3.5Å; N791-I800 PolarHBondContact N-O 2.92Å; N791-I800 PolarHBondContact O-N 3.03Å; N793-I800 HydrophobicContact CB-CD1 4Å; I800-Q807 HydrophobicContact CG2-CG 4.21Å; I800-A809 HydrophobicContact CG1-CB 4.1Å
801	L	94.8	Very high	90.2	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	125.2	177.3	-51.3	-179.2	0	0	0	108.7	I768 L787 W790 V799 F803 Q807 V808 F810 I824	I768-L801 HydrophobicContact CD1-CD1 3.35Å; L787-L801 HydrophobicContact CD1-CB 4.07Å; L787-L801 HydrophobicContact CD1-CD2 4.49Å; W790-L801 HydrophobicContact CB-CD2 3.49Å; W790-L801 VanDerWaalsContact CB-CD2 3.49Å; V799-L801 HydrophobicContact CG1-CD2 3.68Å; V799-L801 HydrophobicContact CG1-CG 4.15Å; L801-F803 HydrophobicContact CB-CD2 4.42Å; L801-F803 HydrophobicContact CB-CE2 3.67Å; L801-F803 HydrophobicContact CB-CZ 4.06Å; L801-F803 HydrophobicContact CD1-CE2 4.26Å; L801-F803 HydrophobicContact CD1-CZ 4.11Å; L801-Q807 WeakPolarHBondContact O-CA 3.34Å; L801-V808 HydrophobicContact CB-CG1 3.82Å; L801-V808 HydrophobicContact CD1-CG1 4.23Å; L801-V808 HydrophobicContact CG-CG1 4.35Å; L801-V808 PolarHBondContact N-O 2.98Å; L801-V808 PolarHBondContact O-N 3.16Å; L801-F810 HydrophobicContact CD1-CE1 3.8Å; L801-F810 HydrophobicContact CD1-CZ 4.25Å; L801-F810 HydrophobicContact CG-CE1 4.22Å; L801-I824 HydrophobicContact CD1-CD1 4.26Å; L801-I824 HydrophobicContact CD2-CD1 3.75Å
802	E	92.6	Very high	90.4	Very high	81 Å²	81	52.8 Å²	52.8	38%	0.379	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	118	175.8	-171.4	179.1	-176.7	0	0	109	R788 S789	R788-E802 HydrophobicContact CB-CG 4.39Å; R788-E802 PolarHBondContact N-O 3.35Å; S789-E802 PolarHBondContact N-O 2.84Å; S789-E802 PolarHBondContact O-N 3.48Å; S789-E802 VanDerWaalsContact OG-CB 3.28Å; S789-E802 WeakPolarHBondContact OG-CB 3.22Å; S789-E802 PolarHBondContact OG-OE2 3.42Å
803	F	89.6	Confident	90.5	Very high	8 Å²	8	52.5 Å²	52.5	4%	0.035	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	163.6	171.5	-56.1	-88.5	0	0	0	109.9	I768 W782 N783 D786 L787 L801 N805 S806 V808	I768-F803 HydrophobicContact CD1-CZ 4.39Å; W782-F803 HydrophobicContact CB-CD1 4.04Å; W782-F803 HydrophobicContact CB-CD2 4.4Å; W782-F803 HydrophobicContact CB-CE1 3.44Å; W782-F803 VanDerWaalsContact CB-CE1 3.44Å; W782-F803 HydrophobicContact CB-CE2 3.82Å; W782-F803 HydrophobicContact CB-CG 4.5Å; W782-F803 HydrophobicContact CB-CZ 3.31Å; W782-F803 AromaticContact CD1-CD2 3.83Å; W782-F803 AromaticContact CD1-CE2 3.81Å; W782-F803 HydrophobicContact CD2-CE2 4Å; W782-F803 HydrophobicContact CD2-CZ 4.24Å; W782-F803 HydrophobicContact CG-CD2 4.11Å; W782-F803 HydrophobicContact CG-CE1 4.16Å; W782-F803 AromaticContact CG-CE2 3.63Å; W782-F803 HydrophobicContact CG-CE2 3.63Å; W782-F803 AromaticContact CG-CZ 3.67Å; W782-F803 HydrophobicContact CG-CZ 3.67Å; N783-F803 WeakPolarHBondContact O-CE1 3.3Å; D786-F803 HydrophobicContact CB-CB 4.44Å; D786-F803 HydrophobicContact CB-CD1 4.21Å; D786-F803 CarbonylContact O-C 3.55Å; D786-F803 WeakPolarHBondContact O-CA 3.43Å; L787-F803 HydrophobicContact CB-CD1 4.01Å; L787-F803 HydrophobicContact CB-CE1 3.89Å; L787-F803 HydrophobicContact CD1-CD1 3.98Å; L787-F803 HydrophobicContact CD1-CE1 3.57Å; L787-F803 HydrophobicContact CD1-CE2 4.39Å; L787-F803 HydrophobicContact CD1-CZ 3.8Å; L787-F803 HydrophobicContact CG-CE1 4.31Å; L801-F803 HydrophobicContact CB-CD2 4.42Å; L801-F803 HydrophobicContact CB-CE2 3.67Å; L801-F803 HydrophobicContact CB-CZ 4.06Å; L801-F803 HydrophobicContact CD1-CE2 4.26Å; L801-F803 HydrophobicContact CD1-CZ 4.11Å; F803-N805 VanDerWaalsContact C-N 3.25Å; F803-N805 PolarHBondContact O-N 2.84Å; F803-N805 VanDerWaalsContact O-N 3.12Å; F803-S806 CarbonylContact C-O 3.58Å; F803-S806 VanDerWaalsContact CA-O 3.29Å; F803-S806 WeakPolarHBondContact CA-O 3.35Å; F803-S806 VanDerWaalsContact CB-O 3.27Å; F803-S806 WeakPolarHBondContact CB-O 3.49Å; F803-S806 PolarHBondContact N-O 3.35Å; F803-S806 PolarHBondContact O-N 3.42Å; F803-V808 HydrophobicContact CD2-CG1 4.36Å; F803-V808 HydrophobicContact CE2-CG1 3.73Å
804	R	83.2	Confident	90.7	Very high	68 Å²	68	49.3 Å²	49.3	26%	0.257	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.1	-44.3	-179.1	-63.2	176.3	-164.3	-137.4	-12.9	114.7	E473 S785 D786 R788	E473-R804 IonicContact OE1-CZ 2.97Å; E473-R804 IonicContact OE1-NH1 3.38Å; E473-R804 PolarHBondContact OE1-NH1 3.44Å; E473-R804 IonicContact OE1-NH2 3.82Å; E473-R804 PolarHBondContact OE1-NH2 3.34Å; E473-R804 IonicContact OE2-CZ 3.05Å; E473-R804 IonicContact OE2-NH1 3.54Å; E473-R804 IonicContact OE2-NH2 3.01Å; E473-R804 PolarHBondContact OE2-NH2 2.77Å; S785-R804 PolarHBondContact O-NE 3.06Å; S785-R804 PolarHBondContact O-NH2 3.17Å; D786-R804 HydrophobicContact CB-CG 4.42Å; D786-R804 PolarHBondContact O-N 3.48Å; D786-R804 IonicContact OD1-NE 3.95Å; R788-R804 HydrophobicContact CG-CG 4.49Å
805	N	81.5	Confident	91	Very high	164 Å²	164	46.8 Å²	46.8	88%	0.877	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-116.1	4.6	-172.2	-61.1	-23.6	0	0	0	112.8	F803	F803-N805 VanDerWaalsContact C-N 3.25Å; F803-N805 PolarHBondContact O-N 2.84Å; F803-N805 VanDerWaalsContact O-N 3.12Å
806	S	83.2	Confident	91.2	Very high	51 Å²	51	41.3 Å²	41.3	36%	0.357	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.7	147.7	-176	64.4	0	0	0	0	111.7	F803	F803-S806 CarbonylContact C-O 3.58Å; F803-S806 VanDerWaalsContact CA-O 3.29Å; F803-S806 WeakPolarHBondContact CA-O 3.35Å; F803-S806 VanDerWaalsContact CB-O 3.27Å; F803-S806 WeakPolarHBondContact CB-O 3.49Å; F803-S806 PolarHBondContact N-O 3.35Å; F803-S806 PolarHBondContact O-N 3.42Å
807	Q	88.3	Confident	91.4	Very high	126 Å²	126	39.7 Å²	39.7	59%	0.589	19%	0.194	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-116	143.5	167.7	-177.3	-177.5	67	0	0	109	I800 L801	I800-Q807 HydrophobicContact CG2-CG 4.21Å; L801-Q807 WeakPolarHBondContact O-CA 3.34Å
808	V	90.5	Very high	91.5	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.006	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	134.7	174.1	61.9	0	0	0	0	111.1	F737 L741 W782 L801 F803 F810	F737-V808 HydrophobicContact CD1-CG2 3.63Å; F737-V808 HydrophobicContact CE1-CG2 3.56Å; L741-V808 HydrophobicContact CD1-CB 4.33Å; L741-V808 HydrophobicContact CD1-CG2 3.99Å; L741-V808 HydrophobicContact CD2-CB 4.14Å; L741-V808 HydrophobicContact CD2-CG2 3.54Å; L741-V808 HydrophobicContact CG-CG2 4.43Å; W782-V808 HydrophobicContact CH2-CB 4.24Å; W782-V808 HydrophobicContact CH2-CG1 4.12Å; W782-V808 HydrophobicContact CH2-CG2 3.83Å; W782-V808 HydrophobicContact CZ2-CB 3.99Å; W782-V808 HydrophobicContact CZ2-CG1 4Å; W782-V808 HydrophobicContact CZ2-CG2 4.01Å; W782-V808 HydrophobicContact CZ3-CG1 4.44Å; L801-V808 HydrophobicContact CB-CG1 3.82Å; L801-V808 HydrophobicContact CD1-CG1 4.23Å; L801-V808 HydrophobicContact CG-CG1 4.35Å; L801-V808 PolarHBondContact N-O 2.98Å; L801-V808 PolarHBondContact O-N 3.16Å; F803-V808 HydrophobicContact CD2-CG1 4.36Å; F803-V808 HydrophobicContact CE2-CG1 3.73Å; V808-F810 HydrophobicContact CG2-CD1 4.25Å
809	A	92.2	Very high	91.6	Very high	10 Å²	10	33.7 Å²	33.7	8%	0.083	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	136.3	173.2	0	0	0	0	0	110	E738 V799 I800	E738-A809 HydrophobicContact CB-CB 4.36Å; E738-A809 PolarHBondContact N-O 3.38Å; V799-A809 VanDerWaalsContact O-CA 3.29Å; V799-A809 WeakPolarHBondContact O-CA 3.2Å; I800-A809 HydrophobicContact CG1-CB 4.1Å
810	F	94.3	Very high	91.6	Very high	1 Å²	1	33.7 Å²	33.7	0%	0.004	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	151.8	177	58.3	-96.3	0	0	0	112.1	V735 Q736 F737 I761 K798 V799 L801 V808 P812 I820	V735-F810 HydrophobicContact CB-CB 4.21Å; V735-F810 HydrophobicContact CB-CD2 3.84Å; V735-F810 HydrophobicContact CB-CG 4.25Å; V735-F810 HydrophobicContact CG1-CD2 3.56Å; V735-F810 HydrophobicContact CG1-CE2 3.89Å; V735-F810 HydrophobicContact CG1-CG 4.37Å; V735-F810 HydrophobicContact CG2-CB 4.46Å; V735-F810 HydrophobicContact CG2-CD2 4.48Å; Q736-F810 CarbonylContact O-C 3.56Å; Q736-F810 VanDerWaalsContact O-CA 3.29Å; Q736-F810 WeakPolarHBondContact O-CA 3.45Å; F737-F810 HydrophobicContact CD1-CB 3.78Å; F737-F810 HydrophobicContact CD1-CD1 4.33Å; F737-F810 HydrophobicContact CD1-CG 4.46Å; F737-F810 HydrophobicContact CE1-CB 4.09Å; F737-F810 AromaticContact CE1-CD1 3.93Å; F737-F810 HydrophobicContact CE1-CD1 3.93Å; F737-F810 HydrophobicContact CE1-CG 4.31Å; F737-F810 HydrophobicContact CG-CB 4.39Å; I761-F810 HydrophobicContact CD1-CD2 4.45Å; I761-F810 HydrophobicContact CD1-CE1 4.24Å; I761-F810 HydrophobicContact CD1-CE2 3.72Å; I761-F810 HydrophobicContact CD1-CZ 3.6Å; K798-F810 WeakPolarHBondContact CA-O 3.4Å; V799-F810 HydrophobicContact CB-CD2 4.39Å; V799-F810 HydrophobicContact CB-CE2 3.89Å; V799-F810 HydrophobicContact CB-CZ 3.99Å; V799-F810 HydrophobicContact CG1-CE2 4.41Å; V799-F810 HydrophobicContact CG1-CZ 4.04Å; V799-F810 HydrophobicContact CG2-CE2 4.26Å; V799-F810 PolarHBondContact N-O 3.23Å; V799-F810 PolarHBondContact O-N 3.31Å; L801-F810 HydrophobicContact CD1-CE1 3.8Å; L801-F810 HydrophobicContact CD1-CZ 4.25Å; L801-F810 HydrophobicContact CG-CE1 4.22Å; V808-F810 HydrophobicContact CG2-CD1 4.25Å; F810-P812 HydrophobicContact CD2-CG 4.44Å; F810-P812 HydrophobicContact CE2-CG 4.42Å; F810-I820 HydrophobicContact CE2-CD1 3.81Å; F810-I820 HydrophobicContact CE2-CG2 4.2Å; F810-I820 HydrophobicContact CZ-CG2 4.17Å
811	R	93.9	Very high	91.7	Very high	87 Å²	87	31.9 Å²	31.9	33%	0.328	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	122	173.3	-175.8	172.8	91.8	82.3	-0.5	110.2	V735 Q736 E797 K798 L813	V735-R811 CarbonylContact C-O 3.52Å; V735-R811 WeakPolarHBondContact CA-O 3.21Å; Q736-R811 HydrophobicContact CB-CB 4.45Å; Q736-R811 PolarHBondContact N-O 3.07Å; Q736-R811 PolarHBondContact O-N 3.46Å; E797-R811 WeakPolarHBondContact O-CG 3.43Å; E797-R811 IonicContact OE2-NH1 2.68Å; K798-R811 HydrophobicContact CG-CB 4.37Å; R811-L813 VanDerWaalsContact CZ-CD2 3.4Å
812	P	94.9	Very high	91.7	Very high	6 Å²	6	31.9 Å²	31.9	4%	0.039	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	135.7	174.4	-19.7	36.4	0	0	0	111	V799 F810 T815 I820	V799-P812 HydrophobicContact CG2-CG 4.06Å; F810-P812 HydrophobicContact CD2-CG 4.44Å; F810-P812 HydrophobicContact CE2-CG 4.42Å; P812-T815 HydrophobicContact CB-CG2 4.1Å; P812-T815 WeakPolarHBondContact CB-O 3.47Å; P812-I820 HydrophobicContact CB-CD1 3.75Å; P812-I820 HydrophobicContact CG-CD1 3.61Å
813	L	94.3	Very high	91.9	Very high	15 Å²	15	28 Å²	28	8%	0.079	14%	0.14	C	C	.	.	S	Bend	trans	-105.8	-43.1	-178.4	-56.9	-173.5	0	0	0	111.9	N171 I734 Q736 D758 R811	N171-L813 WeakPolarHBondContact CB-O 3.34Å; I734-L813 HydrophobicContact CB-CB 4.22Å; I734-L813 HydrophobicContact CG2-CB 4.01Å; I734-L813 HydrophobicContact CG2-CD1 3.98Å; I734-L813 HydrophobicContact CG2-CG 4.4Å; I734-L813 PolarHBondContact O-N 3.09Å; Q736-L813 HydrophobicContact CB-CD1 4.25Å; Q736-L813 HydrophobicContact CB-CD2 4.17Å; Q736-L813 HydrophobicContact CB-CG 4.34Å; D758-L813 HydrophobicContact CB-CD1 4.02Å; D758-L813 VanDerWaalsContact CG-CD1 3.43Å; D758-L813 WeakPolarHBondContact OD1-CD1 3Å; R811-L813 VanDerWaalsContact CZ-CD2 3.4Å
814	S	93.2	Very high	92.2	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.007	14%	0.138	C	C	.	.	S	Bend	trans	-82.4	-13.5	-178.3	59.4	0	0	0	0	114.1	S282 I734	S282-S814 WeakPolarHBondContact CB-O 3.46Å; I734-S814 PolarHBondContact N-OG 2.86Å; I734-S814 VanDerWaalsContact N-OG 3.11Å
815	T	94.6	Very high	92.8	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.006	13%	0.126	C	C	.	.	S	Bend	trans	-146.6	175.7	-178.6	-172	0	0	0	0	109.7	F733 P812 T819 I820	F733-T815 HydrophobicContact CD1-CG2 3.48Å; F733-T815 VanDerWaalsContact CD1-CG2 3.48Å; F733-T815 HydrophobicContact CE1-CG2 3.92Å; F733-T815 HydrophobicContact CG-CG2 4.5Å; P812-T815 HydrophobicContact CB-CG2 4.1Å; P812-T815 WeakPolarHBondContact CB-O 3.47Å; T815-T819 HydrophobicContact CG2-CG2 4.4Å; T815-T819 WeakPolarHBondContact OG1-CB 3.39Å; T815-T819 WeakPolarHBondContact OG1-CG2 3.44Å; T815-T819 PolarHBondContact OG1-OG1 3.29Å; T815-I820 HydrophobicContact CG2-CD1 4.19Å; T815-I820 HydrophobicContact CG2-CG1 3.95Å
816	N	92.4	Very high	93.5	Very high	22 Å²	22	16.6 Å²	16.6	12%	0.118	8%	0.084	C	C	.	.			trans	-85.5	168.3	169.1	63.8	46.1	0	0	0	112.3	L174 T176 K818 T819	L174-N816 PolarHBondContact O-ND2 3.44Å; L174-N816 VanDerWaalsContact O-ND2 3.11Å; T176-N816 WeakPolarHBondContact OG1-CB 3.27Å; N816-K818 VanDerWaalsContact C-N 3.29Å; N816-K818 PolarHBondContact O-N 3.05Å; N816-K818 WeakPolarHBondContact OD1-CB 3.5Å; N816-K818 PolarHBondContact OD1-N 3.38Å; N816-K818 VanDerWaalsContact OD1-N 3.13Å; N816-T819 PolarHBondContact O-N 2.88Å; N816-T819 PolarHBondContact OD1-N 2.94Å; N816-T819 PolarHBondContact OD1-OG1 3.44Å; N816-T819 VanDerWaalsContact OD1-OG1 3.12Å
817	C	93.8	Very high	94.1	Very high	5 Å²	5	14.3 Å²	14.3	3%	0.034	7%	0.067	C	C	.	.	H	α-helix	trans	-59.4	-38.6	178	-68.2	0	0	0	0	113	V792 W794 E797 V799 T819 I820 V821	V792-C817 HydrophobicContact CG1-CB 3.52Å; V792-C817 HydrophobicContact CG2-CB 4.16Å; W794-C817 HydrophobicContact CZ3-CB 4.18Å; E797-C817 PolarHBondContact O-SG 3.36Å; V799-C817 HydrophobicContact CG2-CB 3.89Å; C817-T819 VanDerWaalsContact C-N 3.34Å; C817-T819 PolarHBondContact O-N 3.18Å; C817-I820 PolarHBondContact O-N 3.04Å; C817-V821 PolarHBondContact O-N 2.91Å; C817-V821 VanDerWaalsContact O-N 3.08Å
818	K	92.6	Very high	94.3	Very high	13 Å²	13	8.4 Å²	8.4	6%	0.057	4%	0.04	C	C	.	.	H	α-helix	trans	-57.6	-46.9	-177.8	-175.2	62.6	165.5	82.4	0	111.2	D286 W794 N816 I820 V821 E822 T850 G851	D286-K818 HydrophobicContact CB-CG 4.46Å; D286-K818 WeakPolarHBondContact OD1-CE 3.26Å; D286-K818 IonicContact OD1-NZ 3.26Å; D286-K818 PolarHBondContact OD1-NZ 3.05Å; D286-K818 VanDerWaalsContact OD1-NZ 3.17Å; D286-K818 WeakPolarHBondContact OD2-CE 3.38Å; W794-K818 HydrophobicContact CH2-CB 4.29Å; N816-K818 VanDerWaalsContact C-N 3.29Å; N816-K818 PolarHBondContact O-N 3.05Å; N816-K818 WeakPolarHBondContact OD1-CB 3.5Å; N816-K818 PolarHBondContact OD1-N 3.38Å; N816-K818 VanDerWaalsContact OD1-N 3.13Å; K818-I820 VanDerWaalsContact C-N 3.31Å; K818-I820 PolarHBondContact O-N 3.29Å; K818-V821 PolarHBondContact O-N 2.86Å; K818-E822 HydrophobicContact CD-CG 4.41Å; K818-E822 HydrophobicContact CG-CG 4.38Å; K818-E822 VanDerWaalsContact NZ-CG 3.31Å; K818-E822 IonicContact NZ-OE1 3.5Å; K818-E822 PolarHBondContact NZ-OE1 2.73Å; K818-E822 WeakPolarHBondContact O-CG 3.19Å; K818-E822 PolarHBondContact O-N 3.18Å; K818-T850 PolarHBondContact NZ-O 3.13Å; K818-G851 WeakPolarHBondContact CE-O 3.41Å
819	T	94.9	Very high	94.4	Very high	5 Å²	5	8.6 Å²	8.6	3%	0.031	4%	0.041	C	C	.	.	H	α-helix	trans	-54.6	-46.5	178.2	-56.4	0	0	0	0	112	W284 F733 T815 N816 C817 E822 F823	W284-T819 HydrophobicContact CB-CG2 4.06Å; W284-T819 HydrophobicContact CG-CG2 4.46Å; F733-T819 HydrophobicContact CE1-CG2 4.1Å; T815-T819 HydrophobicContact CG2-CG2 4.4Å; T815-T819 WeakPolarHBondContact OG1-CB 3.39Å; T815-T819 WeakPolarHBondContact OG1-CG2 3.44Å; T815-T819 PolarHBondContact OG1-OG1 3.29Å; N816-T819 PolarHBondContact O-N 2.88Å; N816-T819 PolarHBondContact OD1-N 2.94Å; N816-T819 PolarHBondContact OD1-OG1 3.44Å; N816-T819 VanDerWaalsContact OD1-OG1 3.12Å; C817-T819 VanDerWaalsContact C-N 3.34Å; C817-T819 PolarHBondContact O-N 3.18Å; T819-E822 PolarHBondContact O-N 2.72Å; T819-F823 HydrophobicContact CG2-CD2 3.98Å; T819-F823 HydrophobicContact CG2-CE2 3.9Å; T819-F823 VanDerWaalsContact O-CD2 3.27Å; T819-F823 WeakPolarHBondContact O-CD2 3.34Å; T819-F823 PolarHBondContact O-N 2.89Å
820	I	95.5	Very high	94.4	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-65.3	-43.5	-179.4	-74.8	-175.1	0	0	0	111.4	F733 V735 I761 I763 V799 F810 P812 T815 C817 K818 E822 F823 I824	F733-I820 HydrophobicContact CB-CD1 4.04Å; F733-I820 HydrophobicContact CD1-CD1 4.28Å; F733-I820 HydrophobicContact CD1-CG1 4Å; F733-I820 HydrophobicContact CD2-CG1 4.32Å; F733-I820 HydrophobicContact CE1-CG1 4.26Å; F733-I820 HydrophobicContact CG-CD1 4Å; F733-I820 HydrophobicContact CG-CG1 4.02Å; V735-I820 HydrophobicContact CG1-CD1 4.34Å; I761-I820 HydrophobicContact CD1-CD1 4.35Å; I763-I820 HydrophobicContact CD1-CB 4.3Å; I763-I820 HydrophobicContact CD1-CG1 4.26Å; I763-I820 HydrophobicContact CD1-CG2 3.81Å; V799-I820 HydrophobicContact CG1-CG2 4.31Å; V799-I820 HydrophobicContact CG2-CB 4.42Å; V799-I820 HydrophobicContact CG2-CG2 4.12Å; F810-I820 HydrophobicContact CE2-CD1 3.81Å; F810-I820 HydrophobicContact CE2-CG2 4.2Å; F810-I820 HydrophobicContact CZ-CG2 4.17Å; P812-I820 HydrophobicContact CB-CD1 3.75Å; P812-I820 HydrophobicContact CG-CD1 3.61Å; T815-I820 HydrophobicContact CG2-CD1 4.19Å; T815-I820 HydrophobicContact CG2-CG1 3.95Å; C817-I820 PolarHBondContact O-N 3.04Å; K818-I820 VanDerWaalsContact C-N 3.31Å; K818-I820 PolarHBondContact O-N 3.29Å; I820-E822 VanDerWaalsContact C-N 3.3Å; I820-E822 PolarHBondContact O-N 3.45Å; I820-F823 WeakPolarHBondContact O-CB 3.35Å; I820-F823 PolarHBondContact O-N 2.81Å; I820-F823 VanDerWaalsContact O-N 3.14Å; I820-I824 HydrophobicContact CG2-CD1 4.09Å; I820-I824 WeakPolarHBondContact O-CG1 3.42Å; I820-I824 PolarHBondContact O-N 2.96Å
821	V	94.6	Very high	94.1	Very high	4 Å²	4	10.6 Å²	10.6	2%	0.024	5%	0.054	C	C	.	.	H	α-helix	trans	-62.5	-38.1	176	169.7	0	0	0	0	111.6	V792 V799 C817 K818 F823 I824 G825	V792-V821 HydrophobicContact CG2-CG2 3.46Å; V792-V821 VanDerWaalsContact CG2-CG2 3.46Å; V799-V821 HydrophobicContact CG1-CG2 4.47Å; C817-V821 PolarHBondContact O-N 2.91Å; C817-V821 VanDerWaalsContact O-N 3.08Å; K818-V821 PolarHBondContact O-N 2.86Å; V821-F823 VanDerWaalsContact C-N 3.32Å; V821-F823 PolarHBondContact O-N 3Å; V821-I824 PolarHBondContact O-N 3.23Å; V821-G825 PolarHBondContact O-N 2.96Å
822	E	95.6	Very high	93.6	Very high	1 Å²	1	8.9 Å²	8.9	1%	0.005	5%	0.05	C	C	.	.	H	α-helix	trans	-65.6	-34.4	174.1	-68.3	-163.8	156.2	0	0	113.3	D286 S287 K319 Y320 K818 T819 I820 G826	D286-E822 VanDerWaalsContact OD1-OE1 3.09Å; S287-E822 WeakPolarHBondContact CB-OE1 3.46Å; S287-E822 PolarHBondContact N-OE1 3.05Å; S287-E822 PolarHBondContact OG-OE1 2.85Å; K319-E822 IonicContact NZ-OE2 3.27Å; K319-E822 PolarHBondContact NZ-OE2 2.85Å; Y320-E822 WeakPolarHBondContact CE1-O 3.48Å; Y320-E822 PolarHBondContact OH-O 3.5Å; K818-E822 HydrophobicContact CD-CG 4.41Å; K818-E822 HydrophobicContact CG-CG 4.38Å; K818-E822 VanDerWaalsContact NZ-CG 3.31Å; K818-E822 IonicContact NZ-OE1 3.5Å; K818-E822 PolarHBondContact NZ-OE1 2.73Å; K818-E822 WeakPolarHBondContact O-CG 3.19Å; K818-E822 PolarHBondContact O-N 3.18Å; T819-E822 PolarHBondContact O-N 2.72Å; I820-E822 VanDerWaalsContact C-N 3.3Å; I820-E822 PolarHBondContact O-N 3.45Å; E822-G826 WeakPolarHBondContact O-CA 3.07Å; E822-G826 PolarHBondContact O-N 3.34Å
823	F	97.3	Very high	93	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-64.9	-47.1	174.4	-92.3	-79.6	0	0	0	111	W284 K319 S731 F733 I763 T819 I820 V821 Y827	W284-F823 AromaticContact CD1-CE2 3.65Å; W284-F823 AromaticContact CD1-CZ 3.93Å; W284-F823 HydrophobicContact CG-CE2 4.3Å; W284-F823 HydrophobicContact CZ2-CZ 4.49Å; W284-F823 AromaticContact NE1-CE2 3.76Å; W284-F823 AromaticContact NE1-CZ 3.53Å; K319-F823 HydrophobicContact CD-CZ 4.44Å; K319-F823 HydrophobicContact CG-CE1 3.91Å; K319-F823 HydrophobicContact CG-CE2 4.43Å; K319-F823 HydrophobicContact CG-CZ 3.75Å; S731-F823 VanDerWaalsContact OG-CE1 3.24Å; S731-F823 WeakPolarHBondContact OG-CE1 3.46Å; F733-F823 HydrophobicContact CE1-CD2 4.3Å; F733-F823 HydrophobicContact CE1-CE2 4.28Å; F733-F823 HydrophobicContact CE2-CD2 4.25Å; F733-F823 HydrophobicContact CE2-CG 4.41Å; F733-F823 AromaticContact CZ-CD2 3.47Å; F733-F823 HydrophobicContact CZ-CD2 3.47Å; F733-F823 VanDerWaalsContact CZ-CD2 3.47Å; F733-F823 AromaticContact CZ-CE2 3.59Å; F733-F823 HydrophobicContact CZ-CE2 3.59Å; F733-F823 HydrophobicContact CZ-CG 4.05Å; F733-F823 HydrophobicContact CZ-CZ 4.24Å; I763-F823 HydrophobicContact CB-CB 4.44Å; I763-F823 HydrophobicContact CD1-CB 3.86Å; I763-F823 HydrophobicContact CG2-CB 4.08Å; T819-F823 HydrophobicContact CG2-CD2 3.98Å; T819-F823 HydrophobicContact CG2-CE2 3.9Å; T819-F823 VanDerWaalsContact O-CD2 3.27Å; T819-F823 WeakPolarHBondContact O-CD2 3.34Å; T819-F823 PolarHBondContact O-N 2.89Å; I820-F823 WeakPolarHBondContact O-CB 3.35Å; I820-F823 PolarHBondContact O-N 2.81Å; I820-F823 VanDerWaalsContact O-N 3.14Å; V821-F823 VanDerWaalsContact C-N 3.32Å; V821-F823 PolarHBondContact O-N 3Å; F823-Y827 HydrophobicContact CD1-CE2 4.12Å; F823-Y827 WeakPolarHBondContact O-CB 3.42Å; F823-Y827 WeakPolarHBondContact O-CD2 3.24Å; F823-Y827 PolarHBondContact O-N 2.68Å; F823-Y827 VanDerWaalsContact O-N 3.13Å
824	I	96	Very high	92	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-63.2	-58.1	177.9	-63.9	170	0	0	0	110	I763 I768 F784 L787 W790 L801 I820 V821 G826 Y827 I828	I763-I824 HydrophobicContact CD1-CG1 4.28Å; I763-I824 HydrophobicContact CG2-CG1 4.35Å; I768-I824 HydrophobicContact CD1-CD1 3.99Å; I768-I824 HydrophobicContact CD1-CG1 4.33Å; F784-I824 HydrophobicContact CE1-CG1 4.47Å; F784-I824 HydrophobicContact CE1-CG2 4.2Å; F784-I824 HydrophobicContact CZ-CB 4.42Å; F784-I824 HydrophobicContact CZ-CG1 4.38Å; F784-I824 HydrophobicContact CZ-CG2 4.16Å; L787-I824 HydrophobicContact CD2-CG2 3.94Å; W790-I824 HydrophobicContact CD2-CG2 4.23Å; W790-I824 HydrophobicContact CG-CG2 4.22Å; L801-I824 HydrophobicContact CD1-CD1 4.26Å; L801-I824 HydrophobicContact CD2-CD1 3.75Å; I820-I824 HydrophobicContact CG2-CD1 4.09Å; I820-I824 WeakPolarHBondContact O-CG1 3.42Å; I820-I824 PolarHBondContact O-N 2.96Å; V821-I824 PolarHBondContact O-N 3.23Å; I824-G826 VanDerWaalsContact C-N 3.33Å; I824-G826 PolarHBondContact O-N 3.18Å; I824-Y827 PolarHBondContact O-N 2.72Å; I824-I828 HydrophobicContact CG2-CD1 3.77Å; I824-I828 WeakPolarHBondContact O-CG1 3.35Å; I824-I828 PolarHBondContact O-N 3.19Å
825	G	95.2	Very high	90.9	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-59.8	-39.3	-177.8	0	0	0	0	0	113.7	V821 I828 F829 L849	V821-G825 PolarHBondContact O-N 2.96Å; G825-I828 PolarHBondContact O-N 3.08Å; G825-F829 WeakPolarHBondContact O-CB 3.41Å; G825-F829 PolarHBondContact O-N 2.52Å; G825-L849 VanDerWaalsContact CA-O 3.28Å; G825-L849 WeakPolarHBondContact CA-O 3.23Å
826	G	95.7	Very high	89.3	Confident	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-70.4	-37.1	177.8	0	0	0	0	0	113.2	E822 I824 F829 L830	E822-G826 WeakPolarHBondContact O-CA 3.07Å; E822-G826 PolarHBondContact O-N 3.34Å; I824-G826 VanDerWaalsContact C-N 3.33Å; I824-G826 PolarHBondContact O-N 3.18Å; G826-F829 PolarHBondContact O-N 3.25Å; G826-L830 WeakPolarHBondContact O-CB 3.5Å; G826-L830 VanDerWaalsContact O-CG 3.29Å; G826-L830 WeakPolarHBondContact O-CG 3.45Å; G826-L830 PolarHBondContact O-N 2.73Å
827	Y	95.4	Very high	88	Confident	2 Å²	2	31.9 Å²	31.9	1%	0.008	16%	0.157	C	C	.	.	H	α-helix	trans	-68	-37.4	172	-83.7	-55.1	0	0	0	112.4	Y320 F321 G729 I763 Q765 F823 I824 L830 S831	Y320-Y827 HydrophobicContact CD1-CD1 4.28Å; Y320-Y827 HydrophobicContact CD1-CD2 4.39Å; Y320-Y827 HydrophobicContact CD1-CE1 4.41Å; Y320-Y827 HydrophobicContact CD1-CG 4.26Å; F321-Y827 PolarHBondContact N-OH 3.24Å; G729-Y827 PolarHBondContact O-OH 2.71Å; I763-Y827 HydrophobicContact CG2-CD2 4.02Å; I763-Y827 HydrophobicContact CG2-CE2 4.17Å; Q765-Y827 HydrophobicContact CB-CD1 4.13Å; Q765-Y827 HydrophobicContact CB-CE1 4.06Å; Q765-Y827 HydrophobicContact CG-CD1 4.41Å; F823-Y827 HydrophobicContact CD1-CE2 4.12Å; F823-Y827 WeakPolarHBondContact O-CB 3.42Å; F823-Y827 WeakPolarHBondContact O-CD2 3.24Å; F823-Y827 PolarHBondContact O-N 2.68Å; F823-Y827 VanDerWaalsContact O-N 3.13Å; I824-Y827 PolarHBondContact O-N 2.72Å; Y827-L830 PolarHBondContact O-N 3.25Å; Y827-S831 PolarHBondContact O-N 2.93Å; Y827-S831 PolarHBondContact O-OG 2.89Å
828	I	93.5	Very high	86.9	Confident	2 Å²	2	35.6 Å²	35.6	1%	0.01	18%	0.184	C	C	.	.	H	α-helix	trans	-62.5	-48.5	173.4	-67.8	170.4	0	0	0	109.9	F784 L787 W790 I824 G825 L830 S831 Q832 L849	F784-I828 HydrophobicContact CD2-CG1 3.78Å; F784-I828 HydrophobicContact CE2-CG1 4.11Å; F784-I828 HydrophobicContact CG-CG1 4.39Å; L787-I828 HydrophobicContact CD2-CD1 4.06Å; W790-I828 HydrophobicContact CE3-CD1 4.04Å; W790-I828 HydrophobicContact CH2-CD1 3.67Å; W790-I828 HydrophobicContact CZ2-CD1 4.17Å; W790-I828 HydrophobicContact CZ3-CD1 3.59Å; I824-I828 HydrophobicContact CG2-CD1 3.77Å; I824-I828 WeakPolarHBondContact O-CG1 3.35Å; I824-I828 PolarHBondContact O-N 3.19Å; G825-I828 PolarHBondContact O-N 3.08Å; I828-L830 VanDerWaalsContact C-N 3.29Å; I828-L830 PolarHBondContact O-N 2.81Å; I828-S831 WeakPolarHBondContact CA-OG 3.48Å; I828-S831 PolarHBondContact O-N 3.41Å; I828-S831 PolarHBondContact O-OG 3.47Å; I828-Q832 PolarHBondContact O-N 2.98Å; I828-L849 HydrophobicContact CG2-CD1 4.25Å; I828-L849 HydrophobicContact CG2-CD2 4.29Å
829	F	93.3	Very high	86.1	Confident	5 Å²	5	38.3 Å²	38.3	2%	0.022	20%	0.197	C	C	.	.	H	α-helix	trans	-54.2	-45.9	175.1	178.9	-97.6	0	0	0	112.1	E155 G825 G826 S831 Q832 V841 N842 L845 F846 L849	E155-F829 HydrophobicContact CB-CE1 4.21Å; E155-F829 HydrophobicContact CG-CE1 3.98Å; G825-F829 WeakPolarHBondContact O-CB 3.41Å; G825-F829 PolarHBondContact O-N 2.52Å; G826-F829 PolarHBondContact O-N 3.25Å; F829-S831 VanDerWaalsContact C-N 3.32Å; F829-S831 PolarHBondContact O-N 2.85Å; F829-Q832 PolarHBondContact O-N 2.85Å; F829-V841 HydrophobicContact CZ-CG1 4.39Å; F829-N842 HydrophobicContact CE2-CB 4.47Å; F829-N842 WeakPolarHBondContact CE2-O 3.39Å; F829-L845 HydrophobicContact CD2-CD2 4.34Å; F829-L845 HydrophobicContact CD2-CG 4.11Å; F829-L845 HydrophobicContact CE2-CB 4.27Å; F829-L845 HydrophobicContact CE2-CD2 4.3Å; F829-L845 HydrophobicContact CE2-CG 4.22Å; F829-F846 HydrophobicContact CB-CD2 4.31Å; F829-F846 AromaticContact CD1-CD2 3.69Å; F829-F846 HydrophobicContact CD1-CD2 3.69Å; F829-F846 HydrophobicContact CD1-CE2 4.44Å; F829-F846 HydrophobicContact CD2-CB 4.02Å; F829-F846 HydrophobicContact CD2-CD2 4.31Å; F829-F846 HydrophobicContact CE1-CD2 4.02Å; F829-F846 HydrophobicContact CE2-CB 3.86Å; F829-F846 HydrophobicContact CG-CB 4.4Å; F829-F846 AromaticContact CG-CD2 3.84Å; F829-F846 HydrophobicContact CG-CD2 3.84Å; F829-F846 HydrophobicContact CZ-CB 4.12Å; F829-F846 HydrophobicContact CZ-CD2 4.45Å; F829-L849 HydrophobicContact CB-CD1 3.83Å; F829-L849 HydrophobicContact CD2-CD1 4.14Å
830	L	92.2	Very high	85.5	Confident	5 Å²	5	47 Å²	47	3%	0.026	24%	0.237	C	C	.	.	H	α-helix	trans	-70.2	-26.3	179.5	-71.4	168.6	0	0	0	113.3	E155 E156 Y320 T322 Y324 G826 Y827 I828 Q832 R833	E155-L830 HydrophobicContact CG-CD2 3.78Å; E156-L830 HydrophobicContact CG-CD2 4.45Å; Y320-L830 HydrophobicContact CD1-CD1 4.31Å; Y320-L830 HydrophobicContact CD2-CD1 3.98Å; Y320-L830 HydrophobicContact CG-CD1 3.6Å; T322-L830 HydrophobicContact CG2-CB 4.1Å; Y324-L830 HydrophobicContact CD1-CD2 4.44Å; Y324-L830 HydrophobicContact CE1-CD2 3.87Å; G826-L830 WeakPolarHBondContact O-CB 3.5Å; G826-L830 VanDerWaalsContact O-CG 3.29Å; G826-L830 WeakPolarHBondContact O-CG 3.45Å; G826-L830 PolarHBondContact O-N 2.73Å; Y827-L830 PolarHBondContact O-N 3.25Å; I828-L830 VanDerWaalsContact C-N 3.29Å; I828-L830 PolarHBondContact O-N 2.81Å; L830-Q832 PolarHBondContact O-N 2.93Å; L830-R833 HydrophobicContact CD2-CG 4.4Å; L830-R833 WeakPolarHBondContact O-CB 3.28Å; L830-R833 PolarHBondContact O-N 3.39Å
831	S	87.7	Confident	85.1	Confident	48 Å²	48	49.1 Å²	49.1	34%	0.336	25%	0.25	S	C	.	.	H	α-helix	trans	-70.2	-20	174	60.9	0	0	0	0	114.1	L472 Y827 I828 F829 R833	L472-S831 VanDerWaalsContact CD1-OG 3.29Å; L472-S831 WeakPolarHBondContact CD1-OG 3.34Å; Y827-S831 PolarHBondContact O-N 2.93Å; Y827-S831 PolarHBondContact O-OG 2.89Å; I828-S831 WeakPolarHBondContact CA-OG 3.48Å; I828-S831 PolarHBondContact O-N 3.41Å; I828-S831 PolarHBondContact O-OG 3.47Å; F829-S831 VanDerWaalsContact C-N 3.32Å; F829-S831 PolarHBondContact O-N 2.85Å; S831-R833 VanDerWaalsContact C-N 3.3Å
832	Q	83.4	Confident	84.8	Confident	52 Å²	52	52.9 Å²	52.9	24%	0.243	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-4.7	176.7	-63.5	167.7	9.9	0	0	112.7	I828 F829 L830	I828-Q832 PolarHBondContact O-N 2.98Å; F829-Q832 PolarHBondContact O-N 2.85Å; L830-Q832 PolarHBondContact O-N 2.93Å
833	R	81.9	Confident	84.5	Confident	27 Å²	27	53.7 Å²	53.7	10%	0.102	27%	0.273	C	S	.	.	S	Bend	trans	-73.2	136.6	177.5	-63.6	-62.5	-163.2	162.9	12	110.5	E155 Y324 L830 S831 L835 E840	E155-R833 IonicContact OE1-CZ 3.36Å; E155-R833 VanDerWaalsContact OE1-CZ 3.3Å; E155-R833 IonicContact OE1-NE 2.8Å; E155-R833 PolarHBondContact OE1-NE 2.81Å; E155-R833 IonicContact OE1-NH2 3.86Å; E155-R833 PolarHBondContact OE1-NH2 2.84Å; E155-R833 IonicContact OE2-NH2 3.17Å; Y324-R833 HydrophobicContact CD1-CB 4.44Å; Y324-R833 HydrophobicContact CD2-CB 4.19Å; Y324-R833 HydrophobicContact CE1-CB 4.27Å; Y324-R833 HydrophobicContact CE1-CG 3.95Å; Y324-R833 HydrophobicContact CE2-CB 3.98Å; Y324-R833 HydrophobicContact CE2-CG 4.19Å; Y324-R833 HydrophobicContact CG-CB 4.4Å; Y324-R833 PolarHBondContact OH-NE 2.91Å; L830-R833 HydrophobicContact CD2-CG 4.4Å; L830-R833 WeakPolarHBondContact O-CB 3.28Å; L830-R833 PolarHBondContact O-N 3.39Å; S831-R833 VanDerWaalsContact C-N 3.3Å; R833-L835 PolarHBondContact O-N 2.98Å; R833-E840 PolarHBondContact NH1-O 3.31Å
834	N	73.4	Confident	84.1	Confident	68 Å²	68	62 Å²	62	36%	0.364	31%	0.305	S	S	.	.			trans	-73.9	119.2	170.5	-170.5	-36.6	0	0	0	108.9	E836 K837	N834-E836 PolarHBondContact O-N 2.81Å; N834-E836 VanDerWaalsContact O-N 3.14Å; N834-E836 PolarHBondContact OD1-N 2.54Å; N834-K837 PolarHBondContact O-N 2.83Å
835	L	69.4	Low	83.9	Confident	125 Å²	125	63 Å²	63	65%	0.654	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-20.1	-177.7	-71.6	154.5	0	0	0	113.7	R833	R833-L835 PolarHBondContact O-N 2.98Å
836	E	60.8	Low	83.8	Confident	168 Å²	168	63.2 Å²	63.2	79%	0.785	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.2	-10	-171	-58.3	-174.8	169.5	0	0	114.3	N834	N834-E836 PolarHBondContact O-N 2.81Å; N834-E836 VanDerWaalsContact O-N 3.14Å; N834-E836 PolarHBondContact OD1-N 2.54Å
837	K	66.8	Low	83.6	Confident	139 Å²	139	63.4 Å²	63.4	60%	0.604	31%	0.312	S	S	*	.	S	Bend	trans	-128.2	134.5	-175	-66.9	-176.1	180	179	0	111.3	N834 Q839	N834-K837 PolarHBondContact O-N 2.83Å; K837-Q839 PolarHBondContact O-N 3.08Å
838	S	69.2	Low	83.3	Confident	84 Å²	84	65.4 Å²	65.4	59%	0.587	32%	0.319	S	S	*	.			trans	-63.2	120.6	166.5	-179.6	0	0	0	0	109.2
839	Q	76.9	Confident	83.3	Confident	70 Å²	70	65.3 Å²	65.3	33%	0.327	32%	0.319	S	S	.	.			trans	-118.2	141	-179.8	-68.3	174.2	-55.2	0	0	109.9	K837	K837-Q839 PolarHBondContact O-N 3.08Å
840	E	82.4	Confident	83.2	Confident	187 Å²	187	65.1 Å²	65.1	87%	0.874	32%	0.318	S	S	*	.			trans	-66.7	155.8	169.3	-67.8	-166.3	163.4	0	0	111.2	R833 N842	R833-E840 PolarHBondContact NH1-O 3.31Å; E840-N842 PolarHBondContact O-N 2.89Å
841	V	86.8	Confident	82.7	Confident	45 Å²	45	65.1 Å²	65.1	27%	0.273	32%	0.32	S	S	.	.			trans	-83.7	113.4	-176.1	-176.3	0	0	0	0	110.6	F139 E155 F829 E843	F139-V841 HydrophobicContact CE1-CG1 3.93Å; F139-V841 HydrophobicContact CZ-CG1 3.49Å; F139-V841 VanDerWaalsContact CZ-CG1 3.49Å; E155-V841 WeakPolarHBondContact OE2-CG2 3.16Å; F829-V841 HydrophobicContact CZ-CG1 4.39Å; V841-E843 VanDerWaalsContact C-N 3.32Å; V841-E843 PolarHBondContact O-N 2.83Å
842	N	88.6	Confident	81.8	Confident	82 Å²	82	63.8 Å²	63.8	44%	0.439	31%	0.311	S	S	.	.			trans	-77.8	84.3	170.7	-171.9	-19.1	0	0	0	110.1	F829 E840 R844 L845 F846	F829-N842 HydrophobicContact CE2-CB 4.47Å; F829-N842 WeakPolarHBondContact CE2-O 3.39Å; E840-N842 PolarHBondContact O-N 2.89Å; N842-R844 VanDerWaalsContact C-N 3.27Å; N842-R844 PolarHBondContact O-N 3.28Å; N842-R844 PolarHBondContact OD1-N 2.99Å; N842-L845 HydrophobicContact CB-CB 4.03Å; N842-L845 VanDerWaalsContact CG-CB 3.43Å; N842-L845 PolarHBondContact O-N 3.11Å; N842-L845 WeakPolarHBondContact OD1-CB 3.18Å; N842-L845 PolarHBondContact OD1-N 3.3Å; N842-F846 PolarHBondContact O-N 3.5Å
843	E	89.5	Confident	80.6	Confident	18 Å²	18	67.5 Å²	67.5	8%	0.084	33%	0.333	C	S	.	.	H	α-helix	trans	-58.6	-36.8	-179.2	176.7	171.8	179.2	0	0	112.5	F139 T140 R143 V841 F846 H847	F139-E843 HydrophobicContact CD1-CB 4.42Å; F139-E843 HydrophobicContact CD1-CG 3.77Å; F139-E843 HydrophobicContact CE1-CB 3.9Å; F139-E843 HydrophobicContact CE1-CG 3.76Å; T140-E843 PolarHBondContact OG1-OE1 2.8Å; R143-E843 IonicContact CZ-OE2 3.14Å; R143-E843 IonicContact NH1-OE2 2.81Å; R143-E843 PolarHBondContact NH1-OE2 2.99Å; V841-E843 VanDerWaalsContact C-N 3.32Å; V841-E843 PolarHBondContact O-N 2.83Å; E843-F846 PolarHBondContact O-N 3.23Å; E843-H847 VanDerWaalsContact CG-CD2 3.48Å; E843-H847 WeakPolarHBondContact CG-CD2 3.47Å; E843-H847 WeakPolarHBondContact O-CB 3.43Å; E843-H847 PolarHBondContact O-CD2 2.79Å; E843-H847 PolarHBondContact O-N 2.9Å; E843-H847 IonicContact OE1-CD2 3.38Å; E843-H847 IonicContact OE1-NE2 3.44Å; E843-H847 PolarHBondContact OE1-NE2 3.18Å
844	R	89	Confident	78.8	Confident	174 Å²	174	71.5 Å²	71.5	66%	0.657	36%	0.356	S	S	*	.	H	α-helix	trans	-63.8	-45.2	178.8	-178.3	177.9	178	150.4	-0.6	111.1	N842 R848	N842-R844 VanDerWaalsContact C-N 3.27Å; N842-R844 PolarHBondContact O-N 3.28Å; N842-R844 PolarHBondContact OD1-N 2.99Å; R844-R848 PolarHBondContact O-N 3.3Å
845	L	90.8	Very high	79.1	Confident	22 Å²	22	71.7 Å²	71.7	12%	0.115	36%	0.356	C	S	.	.	H	α-helix	trans	-66.7	-42.9	177.6	178.5	58.4	0	0	0	111.6	L468 F829 N842 H847 R848 L849	L468-L845 HydrophobicContact CD1-CD1 3.46Å; L468-L845 VanDerWaalsContact CD1-CD1 3.46Å; L468-L845 HydrophobicContact CD1-CD2 4.39Å; F829-L845 HydrophobicContact CD2-CD2 4.34Å; F829-L845 HydrophobicContact CD2-CG 4.11Å; F829-L845 HydrophobicContact CE2-CB 4.27Å; F829-L845 HydrophobicContact CE2-CD2 4.3Å; F829-L845 HydrophobicContact CE2-CG 4.22Å; N842-L845 HydrophobicContact CB-CB 4.03Å; N842-L845 VanDerWaalsContact CG-CB 3.43Å; N842-L845 PolarHBondContact O-N 3.11Å; N842-L845 WeakPolarHBondContact OD1-CB 3.18Å; N842-L845 PolarHBondContact OD1-N 3.3Å; L845-H847 VanDerWaalsContact C-N 3.34Å; L845-H847 PolarHBondContact O-N 3.25Å; L845-R848 PolarHBondContact O-N 3.3Å; L845-L849 HydrophobicContact CD1-CD1 3.97Å; L845-L849 HydrophobicContact CD1-CG 4.04Å; L845-L849 HydrophobicContact CG-CD1 4.05Å; L845-L849 WeakPolarHBondContact O-CG 3.45Å; L845-L849 PolarHBondContact O-N 3.09Å
846	F	92.3	Very high	79.6	Confident	5 Å²	5	68.8 Å²	68.8	2%	0.022	34%	0.34	C	S	.	.	H	α-helix	trans	-55.5	-48.9	175.7	-179.3	-91	0	0	0	111.6	F139 Y320 F829 N842 E843 R848 L849 T850	F139-F846 AromaticContact CD2-CD1 3.58Å; F139-F846 HydrophobicContact CD2-CD1 3.58Å; F139-F846 AromaticContact CD2-CE1 3.37Å; F139-F846 HydrophobicContact CD2-CE1 3.37Å; F139-F846 HydrophobicContact CD2-CG 4.3Å; F139-F846 AromaticContact CD2-CZ 3.93Å; F139-F846 HydrophobicContact CD2-CZ 3.93Å; F139-F846 HydrophobicContact CE2-CB 4.49Å; F139-F846 AromaticContact CE2-CD1 3.46Å; F139-F846 HydrophobicContact CE2-CD1 3.46Å; F139-F846 VanDerWaalsContact CE2-CD1 3.46Å; F139-F846 AromaticContact CE2-CD2 3.99Å; F139-F846 HydrophobicContact CE2-CD2 3.99Å; F139-F846 AromaticContact CE2-CE1 3.53Å; F139-F846 HydrophobicContact CE2-CE1 3.53Å; F139-F846 HydrophobicContact CE2-CE2 4.04Å; F139-F846 AromaticContact CE2-CG 3.7Å; F139-F846 HydrophobicContact CE2-CG 3.7Å; F139-F846 AromaticContact CE2-CZ 3.81Å; F139-F846 HydrophobicContact CE2-CZ 3.81Å; F139-F846 HydrophobicContact CG-CD1 4.28Å; F139-F846 HydrophobicContact CG-CE1 4.31Å; F139-F846 HydrophobicContact CZ-CB 4.38Å; F139-F846 HydrophobicContact CZ-CD1 4.08Å; F139-F846 HydrophobicContact CZ-CG 4.07Å; Y320-F846 HydrophobicContact CE2-CE2 4.5Å; F829-F846 HydrophobicContact CB-CD2 4.31Å; F829-F846 AromaticContact CD1-CD2 3.69Å; F829-F846 HydrophobicContact CD1-CD2 3.69Å; F829-F846 HydrophobicContact CD1-CE2 4.44Å; F829-F846 HydrophobicContact CD2-CB 4.02Å; F829-F846 HydrophobicContact CD2-CD2 4.31Å; F829-F846 HydrophobicContact CE1-CD2 4.02Å; F829-F846 HydrophobicContact CE2-CB 3.86Å; F829-F846 HydrophobicContact CG-CB 4.4Å; F829-F846 AromaticContact CG-CD2 3.84Å; F829-F846 HydrophobicContact CG-CD2 3.84Å; F829-F846 HydrophobicContact CZ-CB 4.12Å; F829-F846 HydrophobicContact CZ-CD2 4.45Å; N842-F846 PolarHBondContact O-N 3.5Å; E843-F846 PolarHBondContact O-N 3.23Å; F846-R848 PolarHBondContact O-N 3.47Å; F846-L849 PolarHBondContact O-N 3.12Å; F846-T850 HydrophobicContact CD1-CG2 4.29Å; F846-T850 HydrophobicContact CD2-CG2 4.45Å; F846-T850 HydrophobicContact CE1-CG2 3.91Å; F846-T850 HydrophobicContact CE2-CG2 4.11Å; F846-T850 HydrophobicContact CZ-CG2 3.82Å; F846-T850 WeakPolarHBondContact O-CB 3.49Å; F846-T850 WeakPolarHBondContact O-CG2 3.32Å; F846-T850 PolarHBondContact O-N 3.3Å; F846-T850 PolarHBondContact O-OG1 3.45Å
847	H	91.7	Very high	80.6	Confident	4 Å²	4	63.3 Å²	63.3	2%	0.019	32%	0.315	C	S	.	.	H	α-helix	trans	-65.7	-35.4	178.3	-79.5	-49.6	0	0	0	112.9	R137 E843 L845 T850 G851 A852	R137-H847 PolarHBondContact NH1-CD2 3.24Å; E843-H847 VanDerWaalsContact CG-CD2 3.48Å; E843-H847 WeakPolarHBondContact CG-CD2 3.47Å; E843-H847 WeakPolarHBondContact O-CB 3.43Å; E843-H847 PolarHBondContact O-CD2 2.79Å; E843-H847 PolarHBondContact O-N 2.9Å; E843-H847 IonicContact OE1-CD2 3.38Å; E843-H847 IonicContact OE1-NE2 3.44Å; E843-H847 PolarHBondContact OE1-NE2 3.18Å; L845-H847 VanDerWaalsContact C-N 3.34Å; L845-H847 PolarHBondContact O-N 3.25Å; H847-T850 WeakPolarHBondContact CA-OG1 3.32Å; H847-T850 PolarHBondContact O-OG1 3.21Å; H847-G851 PolarHBondContact O-N 2.58Å; H847-A852 HydrophobicContact CB-CB 3.61Å; H847-A852 WeakPolarHBondContact O-CB 3.32Å; H847-A852 PolarHBondContact O-N 3.1Å
848	R	90.1	Very high	81.5	Confident	43 Å²	43	58.9 Å²	58.9	16%	0.162	30%	0.298	C	S	.	.	H	α-helix	trans	-63.3	-47.9	174.7	-167.6	-170.6	-70.5	141.7	-17.7	111	E464 V465 R844 L845 F846 T850 G851	E464-R848 IonicContact OE1-NH2 2.63Å; E464-R848 PolarHBondContact OE1-NH2 3.25Å; E464-R848 IonicContact OE2-CZ 2.67Å; E464-R848 IonicContact OE2-NH1 3.49Å; E464-R848 PolarHBondContact OE2-NH1 3.16Å; E464-R848 IonicContact OE2-NH2 3.2Å; E464-R848 PolarHBondContact OE2-NH2 2.84Å; V465-R848 HydrophobicContact CG2-CG 4.24Å; R844-R848 PolarHBondContact O-N 3.3Å; L845-R848 PolarHBondContact O-N 3.3Å; F846-R848 PolarHBondContact O-N 3.47Å; R848-T850 VanDerWaalsContact C-N 3.34Å; R848-T850 PolarHBondContact O-N 3.07Å; R848-G851 PolarHBondContact O-N 3.24Å
849	L	92	Very high	82.2	Confident	1 Å²	1	57.3 Å²	57.3	1%	0.005	28%	0.28	C	S	.	.	H	α-helix	trans	-70.3	-30.1	-178.8	-66.8	172.4	0	0	0	113	W790 G825 I828 F829 L845 F846 G851	W790-L849 HydrophobicContact CH2-CD2 3.72Å; W790-L849 HydrophobicContact CZ2-CB 4.36Å; W790-L849 HydrophobicContact CZ2-CD2 3.85Å; W790-L849 WeakPolarHBondContact CZ2-O 3.32Å; W790-L849 PolarHBondContact NE1-O 2.94Å; G825-L849 VanDerWaalsContact CA-O 3.28Å; G825-L849 WeakPolarHBondContact CA-O 3.23Å; I828-L849 HydrophobicContact CG2-CD1 4.25Å; I828-L849 HydrophobicContact CG2-CD2 4.29Å; F829-L849 HydrophobicContact CB-CD1 3.83Å; F829-L849 HydrophobicContact CD2-CD1 4.14Å; L845-L849 HydrophobicContact CD1-CD1 3.97Å; L845-L849 HydrophobicContact CD1-CG 4.04Å; L845-L849 HydrophobicContact CG-CD1 4.05Å; L845-L849 WeakPolarHBondContact O-CG 3.45Å; L845-L849 PolarHBondContact O-N 3.09Å; F846-L849 PolarHBondContact O-N 3.12Å; L849-G851 VanDerWaalsContact C-N 3.33Å
850	T	92.2	Very high	82.6	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	8.3	-179.3	56.5	0	0	0	0	114.3	K818 F846 H847 R848	K818-T850 PolarHBondContact NZ-O 3.13Å; F846-T850 HydrophobicContact CD1-CG2 4.29Å; F846-T850 HydrophobicContact CD2-CG2 4.45Å; F846-T850 HydrophobicContact CE1-CG2 3.91Å; F846-T850 HydrophobicContact CE2-CG2 4.11Å; F846-T850 HydrophobicContact CZ-CG2 3.82Å; F846-T850 WeakPolarHBondContact O-CB 3.49Å; F846-T850 WeakPolarHBondContact O-CG2 3.32Å; F846-T850 PolarHBondContact O-N 3.3Å; F846-T850 PolarHBondContact O-OG1 3.45Å; H847-T850 WeakPolarHBondContact CA-OG1 3.32Å; H847-T850 PolarHBondContact O-OG1 3.21Å; R848-T850 VanDerWaalsContact C-N 3.34Å; R848-T850 PolarHBondContact O-N 3.07Å
851	G	81.9	Confident	82.6	Confident	6 Å²	6	47.1 Å²	47.1	6%	0.062	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	74	36.9	174.1	0	0	0	0	0	114	K818 H847 R848 L849	K818-G851 WeakPolarHBondContact CE-O 3.41Å; H847-G851 PolarHBondContact O-N 2.58Å; R848-G851 PolarHBondContact O-N 3.24Å; L849-G851 VanDerWaalsContact C-N 3.33Å
852	A	69	Low	82.3	Confident	19 Å²	19	47.3 Å²	47.3	16%	0.157	23%	0.232	C	C	.	.	S	Bend	trans	-78.1	-22.1	177.5	0	0	0	0	0	113.7	H847	H847-A852 HydrophobicContact CB-CB 3.61Å; H847-A852 WeakPolarHBondContact O-CB 3.32Å; H847-A852 PolarHBondContact O-N 3.1Å
853	N	58.6	Low	81.7	Confident	130 Å²	130	44.4 Å²	44.4	70%	0.695	21%	0.214	S	C	*	.			trans	-91.5	0.4	-177.9	-70.4	-13.9	0	0	0	113.5
854	D	43.7	Very low	81	Confident	111 Å²	111	46.8 Å²	46.8	59%	0.594	23%	0.226	S	C	*	.			trans	-84.2	0	-176.5	-62.1	-21.6	0	0	0	114	W794	W794-D854 HydrophobicContact CZ2-CB 4.46Å

Retrieved 854 of 854 residues in 169.1 ms (Link to these results)

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