A0A096MRP7_PAPAN Loading...

DNA helicase B

5'-3' DNA helicase involved in DNA damage response by acting as an inhibitor of DNA end resection. Recruitment to single-stranded DNA (ssDNA) following DNA damage leads to inhibit the nucleases catalyzing resection, such as EXO1, BLM and DNA2, possibly via the 5'-3' ssDNA translocase activity of HELB. As cells approach S phase, DNA end resection is promoted by the nuclear export of HELB following phosphorylation. Acts independently of TP53BP1. Unwinds duplex DNA with 5'-3' polarity. Has single-strand DNA-dependent ATPase and DNA helicase activities. Prefers ATP and dATP as substrates. During S phase, may facilitate cellular recovery from replication stress.

AlphaFold DB , UniProt , Accession A0A096MRP7, Species PAPAN (Papio anubis, Olive baboon), Gene HELB, Length 1,087 aa.

						>A0A096MRP7_PAPAN|A0A096MRP7|HELB
MARSSRYLRQLQGPLLPPKDLVEEDEDYLNDDVQEDEDSVFVDAEELCNGGVKAGSLPGCIRVLIPDENTQETCKVLGRFPITGAWWRVKVQVKPVVGSRSYQYQVQGFPSYFLQSDMSPPNQKHICALFLKECEVSSDVINKFLAWVNEVSNYKNLNFENLRETLRTFHKETGRKDQKQPAQNGQEELFPDNEMSLPLENKIPFRNVMTALQFPKIMEFLPVLLPRHFKWLIESGSKEMLKEIEEILGTHPWKLGFSKITYREWKLLRCEASWIAFCQCESLLQLMTDLEKNALIMYSKLKQICREHGHTYVEVNDLTLTLSDHMSFHAASDSLKFLKDIGVVTYEKACVFPYDLYQAERAIAFSICDLMQRPPWRLCVDVKKVLASIHTTKPENSSDDALNESKPDEARLENPVDVVDTQDSGDHIWTNGENEINAEISEVQLDQDQVEVPLDRDQVAALEMICSNPVTVISGKGGCGKTTIVSRLFKHIEQLEEREVKNACEDFEQDQNASEEWITFTEQSQLEAGKAIEVLLTAPTGKAAGLLRQKTGLHAYTLCQVNYSFYSWNQTMMTTNKPWKFSSVRVLVVDEGSLVSVGIFKSVLNLLCEHSKLSKLIILGDIRQLPSIEPGNLLKDLFETLKSRNCAIELKTNHRAESQLIVDNATRISRRQFPKFDAELNISDNPTLPISIQDKTFIFVRLPEEDASSQSSKTNHHSCLYSTVKTLLQENDLQNAKTSQFIAFRRQDCDLINDCCCKHYTGHLNKDHQNRLVFGIGDKICCTRNAYLSDLLPENISGSQQNNDLDTSGEDFSGTLHDFAKNKHDFESNVRLCNGEIFFITNDVTDVTFGMRRSLTINNMAGLEVTVDFKKLMKYCRIKHAWARTIHTFQGSEEQTVVYVVGKAGRQHWQHVYTAVTRGRCRVYVIAEESQLRNAIMKNSFPRKTRLKYFLQSKLSSSGAPPADFQSPQKSSGDSGGPSTPSASPLPVVTDHAMTNDVTWSEASLPDERTLTFAERWQLSSPDEVDTDDDLPKSRASKRTCGVNDDESPSKILMVGESPQVSSRLQNLRLNNLIPRQLFKPTDNQET
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	30.6	Very low	53.6	Low	248 Å²	248	133.8 Å²	133.8	100%	1.222	66%	0.66	S	S	*	*				0	112.1	0	-72.4	178.2	174.2	0	0	108
2	A	30.1	Very low	56.4	Low	103 Å²	103	125.9 Å²	125.9	85%	0.851	62%	0.62	S	S	*	*			trans	-150.9	65	-176.5	0	0	0	0	0	111.8
3	R	29.2	Very low	58.7	Low	249 Å²	249	116.2 Å²	116.2	94%	0.94	57%	0.573	S	S	*	*			trans	-151.9	140.6	170.2	-103.2	167.8	-169.3	-170.8	1.9	109.3
4	S	30.7	Very low	60.5	Low	115 Å²	115	110.5 Å²	110.5	80%	0.804	55%	0.548	S	S	*	.			trans	82.2	49.8	-173.5	-150.1	0	0	0	0	116.8	R6	S4-R6 PolarHBondContact O-N 3.5Å
5	S	37.1	Very low	62.1	Low	111 Å²	111	103.1 Å²	103.1	78%	0.776	51%	0.512	S	S	*	.			trans	-71.4	101.4	157.1	50.6	0	0	0	0	110	Y7	S5-Y7 PolarHBondContact O-N 3.02Å
6	R	43.8	Very low	63.2	Low	189 Å²	189	101.1 Å²	101.1	71%	0.713	50%	0.503	S	S	*	.			trans	-60.2	129.7	159.1	-69.2	-175.7	179.3	179.6	-0	107.4	S4 L8	S4-R6 PolarHBondContact O-N 3.5Å; R6-L8 PolarHBondContact O-N 3.27Å; R6-L8 VanDerWaalsContact O-N 3.17Å
7	Y	56	Low	63.4	Low	226 Å²	226	98.8 Å²	98.8	89%	0.886	50%	0.497	S	S	*	.			trans	-43.8	119.3	-173.5	-71.4	-87.3	0	0	0	112.5	S5	S5-Y7 PolarHBondContact O-N 3.02Å
8	L	73.9	Confident	63.4	Low	76 Å²	76	97.6 Å²	97.6	40%	0.398	50%	0.497	S	S	.	.	P	Polyproline II helix	trans	-83.6	132	167.9	-61	-178.5	0	0	0	107.8	R6 K94 Q107	R6-L8 PolarHBondContact O-N 3.27Å; R6-L8 VanDerWaalsContact O-N 3.17Å; L8-K94 HydrophobicContact CD2-CB 4.07Å; L8-K94 HydrophobicContact CD2-CG 4.38Å; L8-Q107 HydrophobicContact CD2-CG 3.93Å
9	R	84.1	Confident	62.7	Low	59 Å²	59	101.4 Å²	101.4	22%	0.223	51%	0.51	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	131.9	172.6	178.9	172.5	173.7	173.7	-1.9	107.8	L11 D67 T70 E72 V93 Y104	R9-L11 HydrophobicContact CG-CD2 3.87Å; R9-D67 IonicContact CZ-OD2 3.66Å; R9-D67 IonicContact NE-OD2 2.75Å; R9-D67 PolarHBondContact NE-OD2 3.48Å; R9-D67 IonicContact NH2-OD2 2.69Å; R9-D67 PolarHBondContact NH2-OD2 3.13Å; R9-T70 PolarHBondContact NH2-OG1 2.98Å; R9-E72 IonicContact CZ-OE2 2.66Å; R9-E72 VanDerWaalsContact CZ-OE2 3.23Å; R9-E72 IonicContact NH1-OE2 3.81Å; R9-E72 PolarHBondContact NH1-OE2 3.49Å; R9-E72 IonicContact NH2-OE2 2.7Å; R9-E72 PolarHBondContact NH2-OE2 2.81Å; R9-V93 HydrophobicContact CB-CG2 4.08Å; R9-V93 PolarHBondContact N-O 3.1Å; R9-V93 WeakPolarHBondContact O-CG2 3.28Å; R9-V93 PolarHBondContact O-N 3.3Å; R9-Y104 PolarHBondContact NH1-OH 2.72Å; R9-Y104 VanDerWaalsContact NH1-OH 3.16Å
10	Q	86.8	Confident	61.6	Low	96 Å²	96	103.9 Å²	103.9	45%	0.449	53%	0.525	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	134.3	164.9	-171.8	166.3	101.2	0	0	108.1	K90 V91	Q10-K90 HydrophobicContact CG-CG 4.32Å; Q10-V91 WeakPolarHBondContact CA-O 3.49Å
11	L	87.1	Confident	60.3	Low	0 Å²	0	107 Å²	107	0%	0	54%	0.542	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	143.8	169.7	-55.7	179.9	0	0	0	108.7	R9 I65 D67 C74 V76 K90 V91 V93	R9-L11 HydrophobicContact CG-CD2 3.87Å; L11-I65 HydrophobicContact CB-CG2 4.37Å; L11-D67 HydrophobicContact CD2-CB 3.97Å; L11-D67 WeakPolarHBondContact CD2-OD2 3.16Å; L11-C74 HydrophobicContact CD1-CB 3.78Å; L11-V76 HydrophobicContact CD1-CG2 3.64Å; L11-K90 WeakPolarHBondContact O-CA 3.49Å; L11-V91 HydrophobicContact CB-CG1 4.18Å; L11-V91 PolarHBondContact N-O 3.12Å; L11-V91 PolarHBondContact O-N 2.92Å; L11-V93 HydrophobicContact CD1-CG1 3.88Å; L11-V93 HydrophobicContact CD1-CG2 3.82Å; L11-V93 HydrophobicContact CD2-CG2 4.41Å; L11-V93 HydrophobicContact CG-CG1 4.21Å; L11-V93 HydrophobicContact CG-CG2 3.82Å
12	Q	87.9	Confident	60.3	Low	39 Å²	39	100.5 Å²	100.5	18%	0.182	52%	0.516	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	130.1	171.9	-170.9	178.7	-88.7	0	0	110	D67 E68 R88 V89 K90	Q12-D67 PolarHBondContact N-OD1 3.23Å; Q12-D67 WeakPolarHBondContact O-CA 3.38Å; Q12-E68 WeakPolarHBondContact CG-OE2 3.45Å; Q12-E68 PolarHBondContact NE2-OE2 2.86Å; Q12-E68 WeakPolarHBondContact O-CG 3.35Å; Q12-E68 PolarHBondContact O-N 3.09Å; Q12-R88 VanDerWaalsContact NE2-NH1 3.18Å; Q12-V89 WeakPolarHBondContact CA-O 3.49Å; Q12-K90 HydrophobicContact CG-CB 4.36Å
13	G	85.9	Confident	60.5	Low	0 Å²	0	104.4 Å²	104.4	0%	0	52%	0.517	C	S	.	.	E	Extended strand (participates in β ladder)	trans	170.9	176.9	179	0	0	0	0	0	114.9	R88 V89	G13-R88 CarbonylContact O-C 3.5Å; G13-R88 WeakPolarHBondContact O-CA 3.43Å; G13-V89 PolarHBondContact N-O 3.28Å; G13-V89 PolarHBondContact O-N 3.18Å
14	P	84.1	Confident	60.7	Low	36 Å²	36	100.3 Å²	100.3	23%	0.234	51%	0.508	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	138.2	176.7	28	-35.4	0	0	0	111.4	L16 P66	P14-L16 PolarHBondContact O-N 2.75Å; P14-P66 HydrophobicContact CG-CG 3.69Å; P14-P66 WeakPolarHBondContact O-CD 3.43Å
15	L	83.7	Confident	61	Low	0 Å²	0	98.2 Å²	98.2	0%	0	49%	0.488	C	S	.	.			trans	-82.2	109	179.4	-173.6	62.6	0	0	0	109.8	V63 I65 F80 I82 W87 V89 Y112	L15-V63 HydrophobicContact CD1-CB 3.91Å; L15-V63 HydrophobicContact CD1-CG1 4.01Å; L15-V63 HydrophobicContact CD1-CG2 3.81Å; L15-I65 HydrophobicContact CD1-CG1 4.41Å; L15-F80 HydrophobicContact CD1-CD1 3.82Å; L15-F80 HydrophobicContact CD1-CE1 3.82Å; L15-F80 HydrophobicContact CD2-CD1 4.17Å; L15-I82 WeakPolarHBondContact CD2-O 3.46Å; L15-W87 HydrophobicContact CB-CB 4.45Å; L15-W87 PolarHBondContact N-O 3.38Å; L15-V89 HydrophobicContact CB-CG1 4.19Å; L15-V89 HydrophobicContact CB-CG2 4.22Å; L15-V89 HydrophobicContact CD1-CG1 4.38Å; L15-V89 HydrophobicContact CD1-CG2 4.05Å; L15-V89 HydrophobicContact CD2-CG1 4.09Å; L15-V89 HydrophobicContact CG-CG1 4.47Å; L15-Y112 HydrophobicContact CD2-CE1 4.23Å
16	L	80.3	Confident	60.9	Low	71 Å²	71	100 Å²	100	37%	0.372	48%	0.484	S	S	.	.	B	Isolated β-bridge	trans	-105.8	110.6	178.2	-62.8	177.3	0	0	0	109.9	P14 L64 P66	P14-L16 PolarHBondContact O-N 2.75Å; L16-L64 HydrophobicContact CB-CB 4.06Å; L16-L64 WeakPolarHBondContact CB-O 3.31Å; L16-L64 PolarHBondContact N-O 3.01Å; L16-L64 PolarHBondContact O-N 2.89Å; L16-P66 HydrophobicContact CD1-CG 4.32Å
17	P	67.6	Low	60.7	Low	61 Å²	61	95.4 Å²	95.4	40%	0.396	47%	0.474	S	S	.	.	P	Polyproline II helix	trans	-62	150.8	168.6	26.9	-33.3	0	0	0	110.1	K19	P17-K19 PolarHBondContact O-N 3.2Å
18	P	63.4	Low	59.9	Low	78 Å²	78	89.3 Å²	89.3	51%	0.506	45%	0.45	S	S	.	.	P	Polyproline II helix	trans	-63.8	130.5	179.4	27.1	-33.1	0	0	0	109.7	R62	P18-R62 VanDerWaalsContact CD-O 3.27Å; P18-R62 WeakPolarHBondContact CD-O 3.43Å
19	K	48.5	Very low	58.4	Low	169 Å²	169	90.4 Å²	90.4	74%	0.735	46%	0.456	S	S	*	.	P	Polyproline II helix	trans	-76.7	129.1	169.6	-66.8	-173.2	176.6	-174.6	0	109.2	P17	P17-K19 PolarHBondContact O-N 3.2Å
20	D	41.8	Very low	56.1	Low	152 Å²	152	91.9 Å²	91.9	81%	0.813	47%	0.468	S	S	*	.			trans	46.5	81.5	157.8	-45.5	-37.9	0	0	0	115.5
21	L	33	Very low	53.9	Low	170 Å²	170	90.7 Å²	90.7	89%	0.89	47%	0.465	S	S	*	.			trans	-109.2	148.3	142.8	-72.2	176.3	0	0	0	108.2
22	V	31.6	Very low	51.5	Low	111 Å²	111	95.6 Å²	95.6	67%	0.673	49%	0.491	S	S	*	.			trans	-63.2	162.8	176.8	-179.3	0	0	0	0	109.8	E24	V22-E24 HydrophobicContact CG1-CG 4.25Å; V22-E24 PolarHBondContact O-N 2.67Å
23	E	34	Very low	48.9	Very low	184 Å²	184	96.4 Å²	96.4	86%	0.86	50%	0.498	S	S	*	.	S	Bend	trans	-64.7	19.9	176.4	-57	-176.7	129.1	0	0	114.9
24	E	33.3	Very low	46.6	Very low	163 Å²	163	104 Å²	104	76%	0.762	53%	0.534	S	S	*	.	S	Bend	trans	-82.9	126.8	170.5	-67.2	-179.9	170.5	0	0	109.4	V22	V22-E24 HydrophobicContact CG1-CG 4.25Å; V22-E24 PolarHBondContact O-N 2.67Å
25	D	37.1	Very low	44.4	Very low	72 Å²	72	106.9 Å²	106.9	39%	0.385	54%	0.544	S	S	.	.			trans	60.3	76.2	-173.1	-76.4	-43.8	0	0	0	116.5	D27 Y28 R771	D25-D27 VanDerWaalsContact C-N 3.27Å; D25-Y28 HydrophobicContact CB-CD2 3.83Å; D25-Y28 HydrophobicContact CB-CE2 3.2Å; D25-Y28 WeakPolarHBondContact O-CD2 3.36Å; D25-Y28 WeakPolarHBondContact O-CE2 3.45Å; D25-Y28 PolarHBondContact OD2-OH 3.06Å; D25-R771 VanDerWaalsContact CG-NH2 3.35Å; D25-R771 IonicContact OD1-CZ 3.84Å; D25-R771 IonicContact OD1-NH1 3.03Å; D25-R771 PolarHBondContact OD1-NH1 3.38Å; D25-R771 IonicContact OD1-NH2 2.72Å; D25-R771 PolarHBondContact OD1-NH2 3.48Å; D25-R771 VanDerWaalsContact OD1-NH2 3.09Å; D25-R771 IonicContact OD2-NH2 3.46Å; D25-R771 PolarHBondContact OD2-NH2 2.94Å
26	E	35.8	Very low	42	Very low	149 Å²	149	111 Å²	111	70%	0.696	57%	0.566	S	S	*	*			trans	-83.4	-2.2	149.5	-89.5	-141.1	136	0	0	113.1	Y28 K870	E26-Y28 PolarHBondContact O-N 3.3Å; E26-K870 WeakPolarHBondContact OE2-CE 2.91Å; E26-K870 IonicContact OE2-NZ 3.27Å; E26-K870 PolarHBondContact OE2-NZ 2.78Å
27	D	38.1	Very low	39.8	Very low	92 Å²	92	113.4 Å²	113.4	49%	0.492	58%	0.576	S	S	.	*			trans	-75.4	17.2	-179.1	-78.3	-20.3	0	0	0	114.5	D25 L29 R771	D25-D27 VanDerWaalsContact C-N 3.27Å; D27-L29 VanDerWaalsContact C-N 3.34Å; D27-L29 PolarHBondContact O-N 2.78Å; D27-R771 VanDerWaalsContact CB-NH1 3.28Å; D27-R771 PolarHBondContact O-NH1 2.69Å
28	Y	40.2	Very low	38.3	Very low	98 Å²	98	114.1 Å²	114.1	38%	0.384	58%	0.576	S	S	.	*			trans	-75.7	72.2	179.3	-76.3	-66.3	0	0	0	113.7	D25 E26	D25-Y28 HydrophobicContact CB-CD2 3.83Å; D25-Y28 HydrophobicContact CB-CE2 3.2Å; D25-Y28 WeakPolarHBondContact O-CD2 3.36Å; D25-Y28 WeakPolarHBondContact O-CE2 3.45Å; D25-Y28 PolarHBondContact OD2-OH 3.06Å; E26-Y28 PolarHBondContact O-N 3.3Å
29	L	41.7	Very low	37	Very low	99 Å²	99	115.4 Å²	115.4	52%	0.518	59%	0.587	S	S	.	*			trans	-112.1	88	162.7	-70.1	179.4	0	0	0	111.3	D27 D31	D27-L29 VanDerWaalsContact C-N 3.34Å; D27-L29 PolarHBondContact O-N 2.78Å; L29-D31 PolarHBondContact O-N 3.31Å; L29-D31 VanDerWaalsContact O-N 3.15Å
30	N	36.3	Very low	36.6	Very low	89 Å²	89	109.9 Å²	109.9	48%	0.476	57%	0.567	S	S	.	*			trans	-63.2	112.3	164.6	-85.2	24.7	0	0	0	109.5	D32	N30-D32 PolarHBondContact O-N 2.72Å
31	D	41.5	Very low	36.5	Very low	72 Å²	72	105 Å²	105	39%	0.385	54%	0.539	S	S	.	.			trans	-77.3	-8.9	-174.5	-144.2	23.3	0	0	0	112.9	L29 V33 K879	L29-D31 PolarHBondContact O-N 3.31Å; L29-D31 VanDerWaalsContact O-N 3.15Å; D31-V33 VanDerWaalsContact C-N 3.32Å; D31-V33 PolarHBondContact O-N 2.91Å; D31-K879 IonicContact OD1-NZ 2.78Å; D31-K879 IonicContact OD2-NZ 2.75Å; D31-K879 PolarHBondContact OD2-NZ 3.31Å
32	D	35.4	Very low	36.8	Very low	102 Å²	102	100.4 Å²	100.4	55%	0.545	52%	0.517	S	S	.	.			trans	-85.2	25.5	-170.4	-54.8	-57.6	0	0	0	115.7	N30 N770	N30-D32 PolarHBondContact O-N 2.72Å; D32-N770 PolarHBondContact OD1-ND2 2.72Å; D32-N770 PolarHBondContact OD2-ND2 3.46Å
33	V	34.3	Very low	37.2	Very low	57 Å²	57	96.4 Å²	96.4	35%	0.345	49%	0.492	S	S	.	.			trans	-110.8	88.5	162.2	-175.5	0	0	0	0	108.3	D31 E35 Q105	D31-V33 VanDerWaalsContact C-N 3.32Å; D31-V33 PolarHBondContact O-N 2.91Å; V33-E35 HydrophobicContact CG1-CG 4.48Å; V33-E35 PolarHBondContact O-N 3.28Å; V33-Q105 VanDerWaalsContact CG2-NE2 3.33Å
34	Q	37.1	Very low	37.6	Very low	158 Å²	158	87.8 Å²	87.8	74%	0.738	45%	0.453	S	S	*	.			trans	-70.9	69.2	-173.5	-167.3	-177.6	-7.9	0	0	112.7	D36	Q34-D36 VanDerWaalsContact C-N 3.3Å; Q34-D36 PolarHBondContact O-N 3.1Å
35	E	36.8	Very low	37.8	Very low	97 Å²	97	82.6 Å²	82.6	45%	0.453	43%	0.428	S	S	.	.			trans	-94.7	62.5	163.6	-73	179.9	162	0	0	110.3	V33 E37 R79	V33-E35 HydrophobicContact CG1-CG 4.48Å; V33-E35 PolarHBondContact O-N 3.28Å; E35-E37 PolarHBondContact O-N 3Å; E35-R79 IonicContact OE2-CZ 3.23Å; E35-R79 IonicContact OE2-NH1 2.79Å; E35-R79 PolarHBondContact OE2-NH1 3Å; E35-R79 IonicContact OE2-NH2 2.74Å
36	D	34.3	Very low	38.1	Very low	86 Å²	86	80.4 Å²	80.4	46%	0.46	42%	0.416	S	S	.	.			trans	-73.1	67	151.4	-76	-31.4	0	0	0	108.9	Q34 D38 R746	Q34-D36 VanDerWaalsContact C-N 3.3Å; Q34-D36 PolarHBondContact O-N 3.1Å; D36-D38 PolarHBondContact O-N 3.45Å; D36-R746 IonicContact OD2-CZ 2.68Å; D36-R746 VanDerWaalsContact OD2-CZ 3.25Å; D36-R746 IonicContact OD2-NH1 2.66Å; D36-R746 PolarHBondContact OD2-NH1 2.93Å; D36-R746 IonicContact OD2-NH2 3.33Å; D36-R746 PolarHBondContact OD2-NH2 2.83Å
37	E	34.6	Very low	38.4	Very low	123 Å²	123	74.5 Å²	74.5	58%	0.575	39%	0.389	S	S	*	.			trans	-61	95.6	137.5	-82.6	-162.3	127.5	0	0	105.5	E35 R227	E35-E37 PolarHBondContact O-N 3Å; E37-R227 IonicContact OE2-CZ 3.49Å; E37-R227 IonicContact OE2-NE 3.27Å; E37-R227 PolarHBondContact OE2-NE 2.9Å; E37-R227 IonicContact OE2-NH2 2.73Å; E37-R227 PolarHBondContact OE2-NH2 3.23Å
38	D	36.3	Very low	38.5	Very low	76 Å²	76	70.5 Å²	70.5	41%	0.406	37%	0.368	S	S	.	.			trans	-45.5	156.8	-170.2	-56.6	-64.7	0	0	0	112.5	D36 V40 R306	D36-D38 PolarHBondContact O-N 3.45Å; D38-V40 HydrophobicContact CB-CG2 4.28Å; D38-V40 PolarHBondContact O-N 2.99Å; D38-R306 IonicContact OD2-CZ 2.72Å; D38-R306 IonicContact OD2-NE 3.95Å; D38-R306 IonicContact OD2-NH2 2.76Å; D38-R306 PolarHBondContact OD2-NH2 3.48Å
39	S	36	Very low	38.4	Very low	104 Å²	104	68.9 Å²	68.9	73%	0.727	37%	0.366	S	S	*	.			trans	-67.4	59.7	162.2	41.2	0	0	0	0	111.9	F41	S39-F41 PolarHBondContact O-N 2.81Å
40	V	39.7	Very low	38.2	Very low	53 Å²	53	66.8 Å²	66.8	32%	0.321	37%	0.368	S	S	.	.			trans	-50.8	124.4	166.5	-174.3	0	0	0	0	107.2	D38 V42 R269 E629	D38-V40 HydrophobicContact CB-CG2 4.28Å; D38-V40 PolarHBondContact O-N 2.99Å; V40-V42 PolarHBondContact O-N 2.74Å; V40-V42 VanDerWaalsContact O-N 3.09Å; V40-R269 PolarHBondContact O-NH1 3.28Å; V40-E629 WeakPolarHBondContact CG1-OE1 3.36Å
41	F	39.6	Very low	38.7	Very low	51 Å²	51	63 Å²	63	22%	0.224	35%	0.351	C	S	.	.			trans	-57.7	115.1	-166.3	-176.3	-71.3	0	0	0	109.6	S39 D43 R269 C559 I599 E629	S39-F41 PolarHBondContact O-N 2.81Å; F41-D43 PolarHBondContact O-N 3.21Å; F41-R269 VanDerWaalsContact C-NH1 3.34Å; F41-R269 PolarHBondContact O-NH1 2.77Å; F41-R269 PolarHBondContact O-NH2 2.89Å; F41-C559 HydrophobicContact CE1-CB 4.27Å; F41-C559 HydrophobicContact CE2-CB 3.8Å; F41-C559 VanDerWaalsContact CE2-SG 3.55Å; F41-C559 HydrophobicContact CZ-CB 3.35Å; F41-I599 HydrophobicContact CD1-CB 4.18Å; F41-I599 HydrophobicContact CE1-CB 3.76Å; F41-I599 HydrophobicContact CE1-CD1 3.52Å; F41-I599 HydrophobicContact CE1-CG1 3.76Å; F41-I599 HydrophobicContact CE2-CB 4.2Å; F41-I599 HydrophobicContact CE2-CD1 4.47Å; F41-I599 HydrophobicContact CE2-CG1 4.01Å; F41-I599 HydrophobicContact CE2-CG2 4.49Å; F41-I599 HydrophobicContact CZ-CB 3.73Å; F41-I599 HydrophobicContact CZ-CD1 3.38Å; F41-I599 HydrophobicContact CZ-CG1 3.35Å; F41-I599 HydrophobicContact CZ-CG2 4.49Å; F41-E629 WeakPolarHBondContact CB-OE1 3.29Å; F41-E629 PolarHBondContact N-OE1 2.94Å
42	V	39.3	Very low	39.1	Very low	72 Å²	72	60.3 Å²	60.3	44%	0.436	34%	0.336	S	S	.	.			trans	-72.9	117.3	-178.3	-163.2	0	0	0	0	109.1	V40 A44 L47	V40-V42 PolarHBondContact O-N 2.74Å; V40-V42 VanDerWaalsContact O-N 3.09Å; V42-A44 PolarHBondContact O-N 3.02Å; V42-L47 HydrophobicContact CB-CD2 4.4Å; V42-L47 HydrophobicContact CG1-CD1 4.38Å; V42-L47 HydrophobicContact CG1-CD2 3.44Å; V42-L47 VanDerWaalsContact CG1-CD2 3.44Å; V42-L47 HydrophobicContact CG1-CG 3.9Å
43	D	40.5	Very low	40	Very low	27 Å²	27	60.1 Å²	60.1	14%	0.144	33%	0.331	C	S	.	.			trans	-67.2	128.3	179.7	-165.6	-18	0	0	0	109.1	F41 E45 E46 L47 S602	F41-D43 PolarHBondContact O-N 3.21Å; D43-E45 PolarHBondContact O-N 2.69Å; D43-E45 WeakPolarHBondContact OD1-CB 3.25Å; D43-E45 PolarHBondContact OD1-N 3.32Å; D43-E45 VanDerWaalsContact OD1-N 3.15Å; D43-E46 HydrophobicContact CB-CB 4.49Å; D43-E46 HydrophobicContact CB-CG 4.43Å; D43-E46 WeakPolarHBondContact O-CB 3.19Å; D43-E46 PolarHBondContact O-N 3.09Å; D43-L47 WeakPolarHBondContact O-CG 3.26Å; D43-L47 PolarHBondContact O-N 3.41Å; D43-L47 VanDerWaalsContact O-N 3.14Å; D43-S602 PolarHBondContact OD1-OG 3.44Å
44	A	41.8	Very low	41	Very low	4 Å²	4	59.6 Å²	59.6	3%	0.033	33%	0.332	C	S	.	.	H	α-helix	trans	-77.1	-16.4	-177.3	0	0	0	0	0	112.8	V42 E46 L47 C48 N562 Y566	V42-A44 PolarHBondContact O-N 3.02Å; A44-E46 VanDerWaalsContact C-N 3.29Å; A44-L47 HydrophobicContact CB-CB 4.38Å; A44-L47 HydrophobicContact CB-CD1 4.22Å; A44-L47 PolarHBondContact O-N 3.2Å; A44-C48 PolarHBondContact O-N 3Å; A44-N562 HydrophobicContact CB-CB 3.81Å; A44-N562 VanDerWaalsContact CB-CG 3.46Å; A44-Y566 HydrophobicContact CB-CD2 3.75Å; A44-Y566 HydrophobicContact CB-CE2 4.5Å; A44-Y566 HydrophobicContact CB-CG 4.46Å; A44-Y566 VanDerWaalsContact O-CD2 3.24Å; A44-Y566 WeakPolarHBondContact O-CD2 3.19Å; A44-Y566 VanDerWaalsContact O-CG 3.31Å
45	E	37.6	Very low	41.7	Very low	53 Å²	53	53.7 Å²	53.7	25%	0.248	31%	0.314	C	S	.	.	H	α-helix	trans	-66.3	-32.1	169.8	-176.5	172.6	153.8	0	0	112.2	D43 N49 Y262 Y566 K601 S602	D43-E45 PolarHBondContact O-N 2.69Å; D43-E45 WeakPolarHBondContact OD1-CB 3.25Å; D43-E45 PolarHBondContact OD1-N 3.32Å; D43-E45 VanDerWaalsContact OD1-N 3.15Å; E45-N49 PolarHBondContact O-ND2 2.94Å; E45-Y262 PolarHBondContact O-OH 3.4Å; E45-Y566 VanDerWaalsContact CA-CE2 3.44Å; E45-Y566 VanDerWaalsContact CA-CZ 3.47Å; E45-Y566 HydrophobicContact CB-CE2 3.89Å; E45-Y566 WeakPolarHBondContact CG-OH 3.38Å; E45-K601 IonicContact OE1-NZ 2.73Å; E45-K601 PolarHBondContact OE1-NZ 3.04Å; E45-K601 IonicContact OE2-NZ 3.6Å; E45-K601 PolarHBondContact OE2-NZ 3.18Å; E45-S602 PolarHBondContact OE2-OG 3.27Å
46	E	43	Very low	42.5	Very low	27 Å²	27	54.3 Å²	54.3	13%	0.126	33%	0.329	C	S	.	.	H	α-helix	trans	-67.7	-53.8	160.9	-76.1	-179.5	115.5	0	0	109.7	D43 A44 C48 G51 L268 R269	D43-E46 HydrophobicContact CB-CB 4.49Å; D43-E46 HydrophobicContact CB-CG 4.43Å; D43-E46 WeakPolarHBondContact O-CB 3.19Å; D43-E46 PolarHBondContact O-N 3.09Å; A44-E46 VanDerWaalsContact C-N 3.29Å; E46-C48 VanDerWaalsContact C-N 3.26Å; E46-C48 PolarHBondContact O-N 3.3Å; E46-G51 WeakPolarHBondContact O-CA 3.32Å; E46-L268 VanDerWaalsContact C-CD1 3.43Å; E46-L268 HydrophobicContact CB-CB 4.45Å; E46-L268 HydrophobicContact CB-CD1 3.99Å; E46-L268 HydrophobicContact CB-CD2 3.67Å; E46-L268 HydrophobicContact CB-CG 4.21Å; E46-L268 HydrophobicContact CG-CD2 4.25Å; E46-L268 WeakPolarHBondContact O-CD1 3.37Å; E46-L268 WeakPolarHBondContact O-CD2 3.23Å; E46-R269 WeakPolarHBondContact OE1-CG 3.18Å; E46-R269 IonicContact OE1-NE 3.4Å; E46-R269 IonicContact OE2-CZ 3.3Å; E46-R269 VanDerWaalsContact OE2-CZ 3.32Å; E46-R269 IonicContact OE2-NE 3.24Å; E46-R269 PolarHBondContact OE2-NE 2.9Å; E46-R269 IonicContact OE2-NH2 3.09Å; E46-R269 PolarHBondContact OE2-NH2 3.46Å
47	L	42.7	Very low	43.9	Very low	25 Å²	25	52.3 Å²	52.3	13%	0.131	32%	0.318	C	S	.	.	H	α-helix	trans	-52.1	-27.4	-168.2	-68.8	-176	0	0	0	117.4	V42 D43 A44 K53 L268	V42-L47 HydrophobicContact CB-CD2 4.4Å; V42-L47 HydrophobicContact CG1-CD1 4.38Å; V42-L47 HydrophobicContact CG1-CD2 3.44Å; V42-L47 VanDerWaalsContact CG1-CD2 3.44Å; V42-L47 HydrophobicContact CG1-CG 3.9Å; D43-L47 WeakPolarHBondContact O-CG 3.26Å; D43-L47 PolarHBondContact O-N 3.41Å; D43-L47 VanDerWaalsContact O-N 3.14Å; A44-L47 HydrophobicContact CB-CB 4.38Å; A44-L47 HydrophobicContact CB-CD1 4.22Å; A44-L47 PolarHBondContact O-N 3.2Å; L47-K53 HydrophobicContact CD2-CD 3.79Å; L47-K53 HydrophobicContact CD2-CG 3.83Å; L47-L268 VanDerWaalsContact CA-CD1 3.46Å; L47-L268 HydrophobicContact CD2-CD1 3.88Å
48	C	38.8	Very low	45.2	Very low	8 Å²	8	48 Å²	48	5%	0.054	30%	0.3	C	S	.	.	H	α-helix	trans	-131.4	0.3	-171.4	-71.3	0	0	0	0	117.3	A44 E46 G50 Y566 Q570	A44-C48 PolarHBondContact O-N 3Å; E46-C48 VanDerWaalsContact C-N 3.26Å; E46-C48 PolarHBondContact O-N 3.3Å; C48-G50 PolarHBondContact O-N 3.28Å; C48-Y566 VanDerWaalsContact CB-CB 3.47Å; C48-Y566 HydrophobicContact CB-CD1 3.72Å; C48-Y566 HydrophobicContact CB-CG 3.9Å; C48-Y566 WeakPolarHBondContact CB-O 3.24Å; C48-Q570 VanDerWaalsContact CA-NE2 3.28Å; C48-Q570 HydrophobicContact CB-CG 4.17Å; C48-Q570 PolarHBondContact O-NE2 3.42Å
49	N	38.2	Very low	46.4	Very low	64 Å²	64	46.4 Å²	46.4	34%	0.342	30%	0.303	S	S	.	.	S	Bend	trans	-73.5	48	167.8	-81.1	-31.8	0	0	0	111.8	E45 G51 Y262	E45-N49 PolarHBondContact O-ND2 2.94Å; N49-G51 PolarHBondContact O-N 3.11Å; N49-Y262 VanDerWaalsContact CB-OH 3.25Å; N49-Y262 WeakPolarHBondContact CB-OH 3.31Å; N49-Y262 PolarHBondContact ND2-OH 3.3Å
50	G	37.6	Very low	48.2	Very low	54 Å²	54	43.6 Å²	43.6	56%	0.557	28%	0.282	S	S	*	.	S	Bend	trans	67.2	15.5	-165.1	0	0	0	0	0	113.8	C48 V52	C48-G50 PolarHBondContact O-N 3.28Å; G50-V52 PolarHBondContact O-N 2.98Å
51	G	47.6	Very low	49.9	Very low	11 Å²	11	43.9 Å²	43.9	11%	0.113	28%	0.282	C	S	.	.			trans	-70.7	119.4	-166.8	0	0	0	0	0	115.4	E46 N49 K53 K266	E46-G51 WeakPolarHBondContact O-CA 3.32Å; N49-G51 PolarHBondContact O-N 3.11Å; G51-K53 PolarHBondContact O-N 3.38Å; G51-K266 WeakPolarHBondContact CA-O 3.39Å
52	V	50.8	Low	51.9	Low	14 Å²	14	47.5 Å²	47.5	9%	0.085	29%	0.294	C	S	.	.	B	Isolated β-bridge	trans	-74.3	113.7	177.4	176.1	0	0	0	0	111.1	G50 W231 K266 L267 L268	G50-V52 PolarHBondContact O-N 2.98Å; V52-W231 HydrophobicContact CB-CE3 4.47Å; V52-W231 HydrophobicContact CB-CH2 4.26Å; V52-W231 HydrophobicContact CB-CZ3 4.2Å; V52-W231 HydrophobicContact CG1-CD2 3.53Å; V52-W231 HydrophobicContact CG1-CE3 3.27Å; V52-W231 HydrophobicContact CG1-CG 4.34Å; V52-W231 HydrophobicContact CG1-CH2 3.79Å; V52-W231 HydrophobicContact CG1-CZ2 3.98Å; V52-W231 HydrophobicContact CG1-CZ3 3.42Å; V52-W231 VanDerWaalsContact CG1-CZ3 3.42Å; V52-W231 HydrophobicContact CG2-CE3 4.42Å; V52-W231 HydrophobicContact CG2-CH2 3.41Å; V52-W231 VanDerWaalsContact CG2-CH2 3.41Å; V52-W231 HydrophobicContact CG2-CZ2 3.89Å; V52-W231 HydrophobicContact CG2-CZ3 3.71Å; V52-K266 PolarHBondContact N-O 3.01Å; V52-L267 HydrophobicContact CB-CD2 3.67Å; V52-L267 HydrophobicContact CG1-CD2 3.78Å; V52-L267 HydrophobicContact CG2-CD2 3.91Å; V52-L268 WeakPolarHBondContact O-CB 3.45Å; V52-L268 VanDerWaalsContact O-CG 3.27Å; V52-L268 WeakPolarHBondContact O-CG 3.24Å; V52-L268 PolarHBondContact O-N 3.03Å; V52-L268 VanDerWaalsContact O-N 3.15Å
53	K	52.5	Low	54.1	Low	99 Å²	99	44.3 Å²	44.3	43%	0.43	27%	0.274	S	S	.	.	P	Polyproline II helix	trans	-72.1	139.3	176.2	-53.5	-169.4	-165.1	-178.9	0	111.4	L47 G51 G55 L268	L47-K53 HydrophobicContact CD2-CD 3.79Å; L47-K53 HydrophobicContact CD2-CG 3.83Å; G51-K53 PolarHBondContact O-N 3.38Å; K53-G55 PolarHBondContact O-N 3.46Å; K53-L268 HydrophobicContact CG-CD1 4.49Å
54	A	55.4	Low	56.2	Low	45 Å²	45	45.4 Å²	45.4	37%	0.372	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-53.1	127.3	161.4	0	0	0	0	0	110.5	R227	A54-R227 HydrophobicContact CB-CB 3.84Å
55	G	52.3	Low	58.3	Low	34 Å²	34	45.2 Å²	45.2	35%	0.351	28%	0.278	S	S	.	.	P	Polyproline II helix	trans	-73.2	170.6	174.2	0	0	0	0	0	112.8	K53 L57 R227	K53-G55 PolarHBondContact O-N 3.46Å; G55-L57 PolarHBondContact O-N 3.29Å; G55-R227 WeakPolarHBondContact CA-O 3.18Å; G55-R227 PolarHBondContact N-O 3.47Å
56	S	55	Low	60.5	Low	110 Å²	110	44.3 Å²	44.3	77%	0.769	28%	0.277	S	S	*	.	P	Polyproline II helix	trans	-66.8	129.9	168.4	54.7	0	0	0	0	110.1
57	L	62	Low	62.5	Low	44 Å²	44	43.1 Å²	43.1	23%	0.23	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-55.6	139.8	168.1	-68.8	175.9	0	0	0	110.1	G55 F109 P226 R227	G55-L57 PolarHBondContact O-N 3.29Å; L57-F109 HydrophobicContact CD1-CZ 4.29Å; L57-F109 HydrophobicContact CD2-CE1 4.13Å; L57-F109 HydrophobicContact CD2-CZ 3.73Å; L57-P226 HydrophobicContact CD2-CB 3.82Å; L57-P226 HydrophobicContact CD2-CG 4.18Å; L57-R227 HydrophobicContact CD1-CG 4.49Å; L57-R227 HydrophobicContact CD2-CB 4.29Å; L57-R227 HydrophobicContact CD2-CG 3.55Å; L57-R227 HydrophobicContact CG-CG 3.92Å
58	P	63.3	Low	64.4	Low	32 Å²	32	45.1 Å²	45.1	21%	0.208	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-63.3	155.9	178.4	28.8	-36.5	0	0	0	111.2	R79 P81	P58-R79 HydrophobicContact CG-CB 4.22Å; P58-R79 WeakPolarHBondContact O-CD 3.41Å; P58-P81 HydrophobicContact CG-CB 4.36Å; P58-P81 HydrophobicContact CG-CG 4.02Å
59	G	61.3	Low	66.3	Low	44 Å²	44	50.1 Å²	50.1	45%	0.454	31%	0.306	S	S	.	.	P	Polyproline II helix	trans	-61.4	159.3	174.9	0	0	0	0	0	112.6	I61	G59-I61 PolarHBondContact O-N 3.17Å
60	C	72.3	Confident	68.3	Low	44 Å²	44	50.1 Å²	50.1	30%	0.297	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	118.1	167.3	-65.6	0	0	0	0	108.4	L77 G78	C60-L77 HydrophobicContact CB-CD1 4.4Å; C60-G78 CarbonylContact C-O 3.59Å; C60-G78 WeakPolarHBondContact CA-O 2.79Å
61	I	77.1	Confident	70	Confident	60 Å²	60	55 Å²	55	31%	0.308	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	157	177.2	63.1	166.7	0	0	0	110.7	G59 V63 L77 G78 F80 T83	G59-I61 PolarHBondContact O-N 3.17Å; I61-V63 HydrophobicContact CD1-CG1 3.65Å; I61-V63 HydrophobicContact CG1-CG1 4Å; I61-L77 WeakPolarHBondContact O-CA 3.4Å; I61-G78 PolarHBondContact N-O 2.71Å; I61-G78 PolarHBondContact O-N 2.85Å; I61-F80 HydrophobicContact CD1-CB 4.02Å; I61-F80 HydrophobicContact CD1-CD2 4.19Å; I61-F80 HydrophobicContact CD1-CG 4.43Å; I61-F80 HydrophobicContact CG1-CB 4.31Å; I61-F80 HydrophobicContact CG1-CD2 3.77Å; I61-F80 HydrophobicContact CG1-CG 4.45Å; I61-T83 HydrophobicContact CD1-CG2 3.46Å; I61-T83 VanDerWaalsContact CD1-CG2 3.46Å
62	R	81.5	Confident	71.7	Confident	126 Å²	126	57.9 Å²	57.9	48%	0.475	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	132.3	168.9	-65.4	178.9	-178.4	-95.4	6.8	108.8	P18 V76 L77	P18-R62 VanDerWaalsContact CD-O 3.27Å; P18-R62 WeakPolarHBondContact CD-O 3.43Å; R62-V76 CarbonylContact C-O 3.58Å; R62-V76 WeakPolarHBondContact CA-O 3.46Å; R62-L77 HydrophobicContact CG-CD1 3.8Å
63	V	83.9	Confident	73.2	Confident	5 Å²	5	61.3 Å²	61.3	3%	0.03	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	163.1	175	-60.9	0	0	0	0	110.6	L15 I61 I65 V76 F80	L15-V63 HydrophobicContact CD1-CB 3.91Å; L15-V63 HydrophobicContact CD1-CG1 4.01Å; L15-V63 HydrophobicContact CD1-CG2 3.81Å; I61-V63 HydrophobicContact CD1-CG1 3.65Å; I61-V63 HydrophobicContact CG1-CG1 4Å; V63-I65 HydrophobicContact CG2-CD1 4.23Å; V63-I65 HydrophobicContact CG2-CG1 4.13Å; V63-V76 HydrophobicContact CG2-CB 4.1Å; V63-V76 PolarHBondContact N-O 3.29Å; V63-V76 PolarHBondContact O-N 3.41Å; V63-F80 HydrophobicContact CG1-CD2 4.18Å; V63-F80 HydrophobicContact CG1-CE2 4.3Å; V63-F80 HydrophobicContact CG2-CD2 4.18Å; V63-F80 HydrophobicContact CG2-CE1 4.07Å; V63-F80 HydrophobicContact CG2-CE2 3.49Å; V63-F80 VanDerWaalsContact CG2-CE2 3.49Å; V63-F80 HydrophobicContact CG2-CZ 3.44Å; V63-F80 VanDerWaalsContact CG2-CZ 3.44Å
64	L	85.1	Confident	74.7	Confident	51 Å²	51	56.6 Å²	56.6	27%	0.267	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	130.7	169.5	-61.6	174.3	0	0	0	108.7	L16 T73 K75	L16-L64 HydrophobicContact CB-CB 4.06Å; L16-L64 WeakPolarHBondContact CB-O 3.31Å; L16-L64 PolarHBondContact N-O 3.01Å; L16-L64 PolarHBondContact O-N 2.89Å; L64-T73 HydrophobicContact CB-CG2 4.12Å; L64-T73 HydrophobicContact CD2-CG2 4.22Å; L64-K75 HydrophobicContact CD2-CG 3.58Å
65	I	85.6	Confident	76.1	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	108.1	173.4	-58.8	175.9	0	0	0	107	L11 L15 V63 D67 C74 V76 F80 V89 V91	L11-I65 HydrophobicContact CB-CG2 4.37Å; L15-I65 HydrophobicContact CD1-CG1 4.41Å; V63-I65 HydrophobicContact CG2-CD1 4.23Å; V63-I65 HydrophobicContact CG2-CG1 4.13Å; I65-D67 PolarHBondContact O-N 2.98Å; I65-C74 PolarHBondContact N-O 3.27Å; I65-C74 VanDerWaalsContact N-O 3.08Å; I65-C74 PolarHBondContact O-N 3.21Å; I65-V76 HydrophobicContact CB-CG2 4.41Å; I65-V76 HydrophobicContact CD1-CB 4.28Å; I65-V76 HydrophobicContact CD1-CG1 4.35Å; I65-V76 HydrophobicContact CD1-CG2 4.1Å; I65-V76 HydrophobicContact CG1-CG2 4.35Å; I65-F80 HydrophobicContact CD1-CE1 4.28Å; I65-F80 HydrophobicContact CD1-CZ 4.23Å; I65-V89 HydrophobicContact CD1-CG2 3.66Å; I65-V89 HydrophobicContact CG1-CG2 4.13Å; I65-V91 HydrophobicContact CD1-CG1 3.93Å
66	P	84.8	Confident	77.6	Confident	33 Å²	33	59 Å²	59	21%	0.214	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	111	166.7	30	-26.3	0	0	0	108.3	P14 L16 E68 E72	P14-P66 HydrophobicContact CG-CG 3.69Å; P14-P66 WeakPolarHBondContact O-CD 3.43Å; L16-P66 HydrophobicContact CD1-CG 4.32Å; P66-E68 PolarHBondContact O-N 2.84Å; P66-E72 WeakPolarHBondContact CA-O 3.16Å
67	D	84.2	Confident	78.9	Confident	2 Å²	2	55.6 Å²	55.6	1%	0.011	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	110.1	-176.3	-174.3	17.5	0	0	0	110	R9 L11 Q12 I65 N69 T70 Q71 E72	R9-D67 IonicContact CZ-OD2 3.66Å; R9-D67 IonicContact NE-OD2 2.75Å; R9-D67 PolarHBondContact NE-OD2 3.48Å; R9-D67 IonicContact NH2-OD2 2.69Å; R9-D67 PolarHBondContact NH2-OD2 3.13Å; L11-D67 HydrophobicContact CD2-CB 3.97Å; L11-D67 WeakPolarHBondContact CD2-OD2 3.16Å; Q12-D67 PolarHBondContact N-OD1 3.23Å; Q12-D67 WeakPolarHBondContact O-CA 3.38Å; I65-D67 PolarHBondContact O-N 2.98Å; D67-N69 PolarHBondContact O-N 3.24Å; D67-N69 PolarHBondContact OD1-ND2 3.27Å; D67-T70 PolarHBondContact O-N 3.11Å; D67-Q71 WeakPolarHBondContact O-CA 3.14Å; D67-Q71 PolarHBondContact O-N 3.31Å; D67-E72 PolarHBondContact N-O 3.43Å
68	E	82.3	Confident	79.9	Confident	67 Å²	67	53.9 Å²	53.9	31%	0.313	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.5	-34.7	-178.3	-68.7	164.9	179.2	0	0	112.1	Q12 P66 T70 Q71 R88	Q12-E68 WeakPolarHBondContact CG-OE2 3.45Å; Q12-E68 PolarHBondContact NE2-OE2 2.86Å; Q12-E68 WeakPolarHBondContact O-CG 3.35Å; Q12-E68 PolarHBondContact O-N 3.09Å; P66-E68 PolarHBondContact O-N 2.84Å; E68-T70 PolarHBondContact O-N 2.96Å; E68-Q71 PolarHBondContact O-NE2 2.66Å; E68-R88 WeakPolarHBondContact OE1-CD 3.33Å; E68-R88 IonicContact OE1-CZ 3.33Å; E68-R88 IonicContact OE1-NE 2.83Å; E68-R88 IonicContact OE1-NH1 2.63Å; E68-R88 PolarHBondContact OE1-NH1 3.21Å; E68-R88 IonicContact OE2-CZ 2.68Å; E68-R88 IonicContact OE2-NH1 2.55Å; E68-R88 PolarHBondContact OE2-NH1 2.94Å
69	N	80.1	Confident	80.7	Confident	113 Å²	113	54.3 Å²	54.3	60%	0.604	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-26	-176.3	-54.3	-76.7	0	0	0	113.9	D67	D67-N69 PolarHBondContact O-N 3.24Å; D67-N69 PolarHBondContact OD1-ND2 3.27Å
70	T	79.1	Confident	81.8	Confident	65 Å²	65	52.6 Å²	52.6	40%	0.399	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129.9	-7.3	-175.9	75.1	0	0	0	0	114.4	R9 D67 E68 E72	R9-T70 PolarHBondContact NH2-OG1 2.98Å; D67-T70 PolarHBondContact O-N 3.11Å; E68-T70 PolarHBondContact O-N 2.96Å; T70-E72 PolarHBondContact O-N 2.85Å; T70-E72 WeakPolarHBondContact OG1-CB 3.41Å; T70-E72 WeakPolarHBondContact OG1-CG 3.41Å; T70-E72 PolarHBondContact OG1-N 2.82Å; T70-E72 PolarHBondContact OG1-OE2 2.94Å
71	Q	74.7	Confident	82.1	Confident	157 Å²	157	51 Å²	51	73%	0.734	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.4	18.8	-172.4	-53.9	-67.4	-60.5	0	0	114.2	D67 E68	D67-Q71 WeakPolarHBondContact O-CA 3.14Å; D67-Q71 PolarHBondContact O-N 3.31Å; E68-Q71 PolarHBondContact O-NE2 2.66Å
72	E	82.2	Confident	82.4	Confident	71 Å²	71	49.1 Å²	49.1	33%	0.332	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	125.4	177.6	-66.2	175.2	128.1	0	0	112.4	R9 P66 D67 T70 C74	R9-E72 IonicContact CZ-OE2 2.66Å; R9-E72 VanDerWaalsContact CZ-OE2 3.23Å; R9-E72 IonicContact NH1-OE2 3.81Å; R9-E72 PolarHBondContact NH1-OE2 3.49Å; R9-E72 IonicContact NH2-OE2 2.7Å; R9-E72 PolarHBondContact NH2-OE2 2.81Å; P66-E72 WeakPolarHBondContact CA-O 3.16Å; D67-E72 PolarHBondContact N-O 3.43Å; T70-E72 PolarHBondContact O-N 2.85Å; T70-E72 WeakPolarHBondContact OG1-CB 3.41Å; T70-E72 WeakPolarHBondContact OG1-CG 3.41Å; T70-E72 PolarHBondContact OG1-N 2.82Å; T70-E72 PolarHBondContact OG1-OE2 2.94Å; E72-C74 PolarHBondContact O-N 3.19Å; E72-C74 VanDerWaalsContact O-N 3.08Å
73	T	82.8	Confident	82.3	Confident	85 Å²	85	46 Å²	46	52%	0.521	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	96	169.8	-52.5	0	0	0	0	111.3	L64	L64-T73 HydrophobicContact CB-CG2 4.12Å; L64-T73 HydrophobicContact CD2-CG2 4.22Å
74	C	83.2	Confident	82.1	Confident	1 Å²	1	45.9 Å²	45.9	1%	0.007	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	135.6	179.1	-64.7	0	0	0	0	111.3	L11 I65 E72 V76 Y104	L11-C74 HydrophobicContact CD1-CB 3.78Å; I65-C74 PolarHBondContact N-O 3.27Å; I65-C74 VanDerWaalsContact N-O 3.08Å; I65-C74 PolarHBondContact O-N 3.21Å; E72-C74 PolarHBondContact O-N 3.19Å; E72-C74 VanDerWaalsContact O-N 3.08Å; C74-V76 HydrophobicContact CB-CG2 3.96Å; C74-Y104 HydrophobicContact CB-CD2 3.91Å; C74-Y104 HydrophobicContact CB-CE2 4.04Å
75	K	84.9	Confident	81.7	Confident	126 Å²	126	44.4 Å²	44.4	55%	0.548	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	114.8	168.1	-77.2	-176.7	175.9	-171.6	0	108.8	L64 Y102 Q103 Y104	L64-K75 HydrophobicContact CD2-CG 3.58Å; K75-Y102 PolarHBondContact N-O 2.85Å; K75-Y102 VanDerWaalsContact N-O 3.11Å; K75-Q103 HydrophobicContact CB-CG 4.12Å; K75-Q103 WeakPolarHBondContact O-CA 3.48Å; K75-Y104 PolarHBondContact O-N 3.24Å
76	V	84.3	Confident	81.5	Confident	2 Å²	2	44.5 Å²	44.5	1%	0.012	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	125.1	-170	-178.3	0	0	0	0	110.6	L11 R62 V63 I65 C74 F80 V93 Y104 V106	L11-V76 HydrophobicContact CD1-CG2 3.64Å; R62-V76 CarbonylContact C-O 3.58Å; R62-V76 WeakPolarHBondContact CA-O 3.46Å; V63-V76 HydrophobicContact CG2-CB 4.1Å; V63-V76 PolarHBondContact N-O 3.29Å; V63-V76 PolarHBondContact O-N 3.41Å; I65-V76 HydrophobicContact CB-CG2 4.41Å; I65-V76 HydrophobicContact CD1-CB 4.28Å; I65-V76 HydrophobicContact CD1-CG1 4.35Å; I65-V76 HydrophobicContact CD1-CG2 4.1Å; I65-V76 HydrophobicContact CG1-CG2 4.35Å; C74-V76 HydrophobicContact CB-CG2 3.96Å; V76-F80 HydrophobicContact CG1-CZ 4.15Å; V76-V93 HydrophobicContact CG1-CG1 4.21Å; V76-Y104 WeakPolarHBondContact CA-O 3.48Å; V76-V106 HydrophobicContact CG1-CG2 3.46Å; V76-V106 VanDerWaalsContact CG1-CG2 3.46Å
77	L	83.3	Confident	81.5	Confident	40 Å²	40	42.9 Å²	42.9	21%	0.209	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	121.9	171.3	178.3	67.5	0	0	0	109.1	C60 I61 R62 Y104 Q105 V106	C60-L77 HydrophobicContact CB-CD1 4.4Å; I61-L77 WeakPolarHBondContact O-CA 3.4Å; R62-L77 HydrophobicContact CG-CD1 3.8Å; L77-Y104 PolarHBondContact N-O 2.93Å; L77-Q105 WeakPolarHBondContact O-CA 3.43Å; L77-V106 PolarHBondContact O-N 2.88Å
78	G	81.7	Confident	81.6	Confident	7 Å²	7	45.1 Å²	45.1	7%	0.072	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.2	179.1	-176.3	0	0	0	0	0	114.3	C60 I61 F80	C60-G78 CarbonylContact C-O 3.59Å; C60-G78 WeakPolarHBondContact CA-O 2.79Å; I61-G78 PolarHBondContact N-O 2.71Å; I61-G78 PolarHBondContact O-N 2.85Å; G78-F80 WeakPolarHBondContact O-CD2 3.41Å
79	R	81.4	Confident	81.9	Confident	42 Å²	42	42 Å²	42	16%	0.158	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	113.4	178.4	-69.2	-172.3	-167.7	151	7.6	109.9	E35 P58 F109 P110	E35-R79 IonicContact OE2-CZ 3.23Å; E35-R79 IonicContact OE2-NH1 2.79Å; E35-R79 PolarHBondContact OE2-NH1 3Å; E35-R79 IonicContact OE2-NH2 2.74Å; P58-R79 HydrophobicContact CG-CB 4.22Å; P58-R79 WeakPolarHBondContact O-CD 3.41Å; R79-F109 HydrophobicContact CB-CD1 4.15Å; R79-F109 HydrophobicContact CB-CE1 3.7Å; R79-F109 HydrophobicContact CB-CZ 4.47Å; R79-P110 VanDerWaalsContact O-CD 3.29Å; R79-P110 WeakPolarHBondContact O-CD 3.15Å
80	F	82.4	Confident	82.3	Confident	7 Å²	7	39.4 Å²	39.4	3%	0.031	20%	0.2	C	C	.	.			trans	-117.3	104.6	-177.5	-66.3	-92.5	0	0	0	108.9	L15 I61 V63 I65 V76 G78 I82 T83 V106 P110 Y112	L15-F80 HydrophobicContact CD1-CD1 3.82Å; L15-F80 HydrophobicContact CD1-CE1 3.82Å; L15-F80 HydrophobicContact CD2-CD1 4.17Å; I61-F80 HydrophobicContact CD1-CB 4.02Å; I61-F80 HydrophobicContact CD1-CD2 4.19Å; I61-F80 HydrophobicContact CD1-CG 4.43Å; I61-F80 HydrophobicContact CG1-CB 4.31Å; I61-F80 HydrophobicContact CG1-CD2 3.77Å; I61-F80 HydrophobicContact CG1-CG 4.45Å; V63-F80 HydrophobicContact CG1-CD2 4.18Å; V63-F80 HydrophobicContact CG1-CE2 4.3Å; V63-F80 HydrophobicContact CG2-CD2 4.18Å; V63-F80 HydrophobicContact CG2-CE1 4.07Å; V63-F80 HydrophobicContact CG2-CE2 3.49Å; V63-F80 VanDerWaalsContact CG2-CE2 3.49Å; V63-F80 HydrophobicContact CG2-CZ 3.44Å; V63-F80 VanDerWaalsContact CG2-CZ 3.44Å; I65-F80 HydrophobicContact CD1-CE1 4.28Å; I65-F80 HydrophobicContact CD1-CZ 4.23Å; V76-F80 HydrophobicContact CG1-CZ 4.15Å; G78-F80 WeakPolarHBondContact O-CD2 3.41Å; F80-I82 PolarHBondContact O-N 2.68Å; F80-T83 HydrophobicContact CB-CG2 4.45Å; F80-V106 HydrophobicContact CE2-CG2 4.28Å; F80-V106 HydrophobicContact CZ-CG2 4.04Å; F80-P110 HydrophobicContact CD1-CB 4.3Å; F80-P110 HydrophobicContact CD1-CG 3.69Å; F80-P110 HydrophobicContact CE1-CB 4.16Å; F80-P110 HydrophobicContact CE1-CG 3.98Å; F80-P110 HydrophobicContact CG-CG 4.45Å; F80-Y112 WeakPolarHBondContact CA-OH 3.43Å
81	P	79.2	Confident	82.8	Confident	11 Å²	11	36.5 Å²	36.5	7%	0.071	18%	0.183	C	C	.	.	S	Bend	trans	-56.8	-29.2	178.1	-27.4	32.8	0	0	0	115.4	P58 Y112 F229	P58-P81 HydrophobicContact CG-CB 4.36Å; P58-P81 HydrophobicContact CG-CG 4.02Å; P81-Y112 WeakPolarHBondContact CD-OH 3.29Å; P81-Y112 HydrophobicContact CG-CE2 4.41Å; P81-F229 HydrophobicContact CB-CD1 3.65Å; P81-F229 HydrophobicContact CB-CE1 3.78Å; P81-F229 HydrophobicContact CG-CD1 4.02Å; P81-F229 HydrophobicContact CG-CE1 4.29Å
82	I	83.5	Confident	83.4	Confident	20 Å²	20	31.7 Å²	31.7	10%	0.103	16%	0.16	C	C	.	.			trans	-136.4	143.7	177.4	-40.5	176.5	0	0	0	109.1	L15 F80 W87 Y112 M218 F229 I233	L15-I82 WeakPolarHBondContact CD2-O 3.46Å; F80-I82 PolarHBondContact O-N 2.68Å; I82-W87 HydrophobicContact CD1-CZ2 4.4Å; I82-W87 HydrophobicContact CG2-CZ2 4.43Å; I82-Y112 HydrophobicContact CB-CE1 4.07Å; I82-Y112 PolarHBondContact N-OH 3Å; I82-Y112 VanDerWaalsContact N-OH 3.07Å; I82-Y112 VanDerWaalsContact O-CE1 3.29Å; I82-Y112 WeakPolarHBondContact O-CE1 3.45Å; I82-Y112 PolarHBondContact O-OH 2.9Å; I82-M218 HydrophobicContact CD1-CE 4.15Å; I82-F229 HydrophobicContact CD1-CE1 3.96Å; I82-F229 HydrophobicContact CD1-CZ 4.22Å; I82-F229 HydrophobicContact CG1-CE1 4.14Å; I82-I233 HydrophobicContact CD1-CD1 4.44Å
83	T	80.8	Confident	83.6	Confident	62 Å²	62	28.3 Å²	28.3	38%	0.38	14%	0.144	S	C	.	.			trans	-126.2	-7.5	-166.4	49.8	0	0	0	0	115.7	I61 F80	I61-T83 HydrophobicContact CD1-CG2 3.46Å; I61-T83 VanDerWaalsContact CD1-CG2 3.46Å; F80-T83 HydrophobicContact CB-CG2 4.45Å
84	G	77.9	Confident	83.7	Confident	2 Å²	2	28.4 Å²	28.4	2%	0.021	14%	0.137	C	C	.	.			trans	-57.2	142	-175.4	0	0	0	0	0	114.3	W86 W87	G84-W86 PolarHBondContact O-N 3.08Å; G84-W87 PolarHBondContact O-N 3.06Å; G84-W87 VanDerWaalsContact O-N 3.12Å
85	A	77.6	Confident	83.6	Confident	19 Å²	19	32 Å²	32	16%	0.157	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-2.3	-170.2	0	0	0	0	0	115.6	Q115 L129	A85-Q115 PolarHBondContact O-NE2 2.92Å; A85-L129 HydrophobicContact CB-CD1 3.98Å
86	W	80.9	Confident	83.1	Confident	2 Å²	2	28.6 Å²	28.6	1%	0.008	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.4	-3.1	175.6	59.1	87.1	0	0	0	113.7	G84 Q115 I126 F130 E133 F159 P204 V208	G84-W86 PolarHBondContact O-N 3.08Å; W86-Q115 VanDerWaalsContact C-NE2 3.31Å; W86-Q115 WeakPolarHBondContact O-CB 3.29Å; W86-Q115 VanDerWaalsContact O-CG 3.26Å; W86-Q115 WeakPolarHBondContact O-CG 3.14Å; W86-Q115 PolarHBondContact O-N 3.49Å; W86-I126 HydrophobicContact CB-CG2 3.66Å; W86-F130 HydrophobicContact CD2-CB 4.43Å; W86-F130 AromaticContact CD2-CD2 3.96Å; W86-F130 HydrophobicContact CD2-CD2 3.96Å; W86-F130 AromaticContact CE2-CD2 3.79Å; W86-F130 HydrophobicContact CE3-CB 3.94Å; W86-F130 HydrophobicContact CE3-CD2 4.1Å; W86-F130 AromaticContact CH2-CD2 3.89Å; W86-F130 HydrophobicContact CH2-CD2 3.89Å; W86-F130 AromaticContact CZ2-CD2 3.76Å; W86-F130 HydrophobicContact CZ2-CD2 3.76Å; W86-F130 HydrophobicContact CZ2-CE2 4.25Å; W86-F130 HydrophobicContact CZ3-CB 4.11Å; W86-F130 HydrophobicContact CZ3-CD2 4.07Å; W86-E133 HydrophobicContact CH2-CB 4.13Å; W86-E133 VanDerWaalsContact CH2-CD 3.42Å; W86-E133 HydrophobicContact CH2-CG 4.28Å; W86-E133 WeakPolarHBondContact CH2-OE1 3.42Å; W86-E133 WeakPolarHBondContact CH2-OE2 3.03Å; W86-E133 HydrophobicContact CZ3-CB 4.32Å; W86-E133 WeakPolarHBondContact CZ3-OE2 3.22Å; W86-F159 HydrophobicContact CB-CE2 3.9Å; W86-F159 HydrophobicContact CB-CZ 3.62Å; W86-F159 HydrophobicContact CG-CE2 4.41Å; W86-F159 AromaticContact CG-CZ 3.88Å; W86-F159 HydrophobicContact CG-CZ 3.88Å; W86-P204 HydrophobicContact CH2-CB 4.12Å; W86-P204 HydrophobicContact CZ2-CB 4.07Å; W86-V208 HydrophobicContact CZ2-CG2 4.46Å
87	W	84.7	Confident	81.8	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	146.2	174.1	-62.3	110.7	0	0	0	111.5	L15 I82 G84 Y112 L114 Q115 V208 A211 M218	L15-W87 HydrophobicContact CB-CB 4.45Å; L15-W87 PolarHBondContact N-O 3.38Å; I82-W87 HydrophobicContact CD1-CZ2 4.4Å; I82-W87 HydrophobicContact CG2-CZ2 4.43Å; G84-W87 PolarHBondContact O-N 3.06Å; G84-W87 VanDerWaalsContact O-N 3.12Å; W87-Y112 HydrophobicContact CB-CD1 4Å; W87-Y112 HydrophobicContact CB-CE1 4.34Å; W87-Y112 HydrophobicContact CD2-CD1 4.19Å; W87-Y112 HydrophobicContact CE3-CD1 4.34Å; W87-Y112 HydrophobicContact CG-CD1 4.02Å; W87-Y112 HydrophobicContact CG-CE1 4.36Å; W87-L114 HydrophobicContact CE3-CD2 3.86Å; W87-L114 HydrophobicContact CE3-CG 4.35Å; W87-L114 HydrophobicContact CH2-CD2 3.72Å; W87-L114 HydrophobicContact CH2-CG 4.41Å; W87-L114 HydrophobicContact CZ2-CD2 4.48Å; W87-L114 HydrophobicContact CZ3-CD2 3.36Å; W87-L114 HydrophobicContact CZ3-CG 3.75Å; W87-Q115 PolarHBondContact O-NE2 3Å; W87-V208 HydrophobicContact CH2-CG2 4.21Å; W87-V208 HydrophobicContact CZ2-CG2 4.01Å; W87-A211 HydrophobicContact CH2-CB 3.58Å; W87-A211 HydrophobicContact CZ3-CB 3.67Å; W87-M218 HydrophobicContact CE3-CE 4.31Å; W87-M218 HydrophobicContact CH2-CE 3.71Å; W87-M218 HydrophobicContact CZ2-CE 4.49Å; W87-M218 HydrophobicContact CZ3-CE 3.59Å
88	R	86.3	Confident	80.5	Confident	49 Å²	49	36.5 Å²	36.5	19%	0.185	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	129.1	168.5	-159.8	179	84.9	114.9	0.3	107.1	Q12 G13 E68 F113 Q115	Q12-R88 VanDerWaalsContact NE2-NH1 3.18Å; G13-R88 CarbonylContact O-C 3.5Å; G13-R88 WeakPolarHBondContact O-CA 3.43Å; E68-R88 WeakPolarHBondContact OE1-CD 3.33Å; E68-R88 IonicContact OE1-CZ 3.33Å; E68-R88 IonicContact OE1-NE 2.83Å; E68-R88 IonicContact OE1-NH1 2.63Å; E68-R88 PolarHBondContact OE1-NH1 3.21Å; E68-R88 IonicContact OE2-CZ 2.68Å; E68-R88 IonicContact OE2-NH1 2.55Å; E68-R88 PolarHBondContact OE2-NH1 2.94Å; R88-F113 HydrophobicContact CB-CB 4.35Å; R88-F113 PolarHBondContact N-O 2.82Å; R88-F113 PolarHBondContact O-N 3.43Å; R88-F113 VanDerWaalsContact O-O 3.13Å; R88-Q115 HydrophobicContact CB-CG 3.96Å
89	V	89.2	Confident	78.9	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	146.4	-175.9	-70.9	0	0	0	0	111.3	Q12 G13 L15 I65 P110 S111 Y112	Q12-V89 WeakPolarHBondContact CA-O 3.49Å; G13-V89 PolarHBondContact N-O 3.28Å; G13-V89 PolarHBondContact O-N 3.18Å; L15-V89 HydrophobicContact CB-CG1 4.19Å; L15-V89 HydrophobicContact CB-CG2 4.22Å; L15-V89 HydrophobicContact CD1-CG1 4.38Å; L15-V89 HydrophobicContact CD1-CG2 4.05Å; L15-V89 HydrophobicContact CD2-CG1 4.09Å; L15-V89 HydrophobicContact CG-CG1 4.47Å; I65-V89 HydrophobicContact CD1-CG2 3.66Å; I65-V89 HydrophobicContact CG1-CG2 4.13Å; V89-P110 HydrophobicContact CB-CB 4.23Å; V89-P110 HydrophobicContact CG1-CB 4.19Å; V89-S111 WeakPolarHBondContact CA-O 3.39Å; V89-Y112 HydrophobicContact CG1-CD1 3.91Å; V89-Y112 HydrophobicContact CG1-CE1 3.78Å
90	K	89.4	Confident	77.3	Confident	60 Å²	60	49 Å²	49	26%	0.261	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	124.8	168.7	-179.9	-178	177.7	-176.6	0	107.8	Q10 L11 Q12 S111 F113	Q10-K90 HydrophobicContact CG-CG 4.32Å; L11-K90 WeakPolarHBondContact O-CA 3.49Å; Q12-K90 HydrophobicContact CG-CB 4.36Å; K90-S111 PolarHBondContact N-O 3.33Å; K90-S111 PolarHBondContact O-N 2.88Å; K90-F113 HydrophobicContact CB-CE2 3.84Å; K90-F113 HydrophobicContact CD-CE2 4.33Å
91	V	88.8	Confident	76.1	Confident	4 Å²	4	51.5 Å²	51.5	2%	0.024	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	142.5	-167.5	65.3	0	0	0	0	112.2	Q10 L11 I65 V93 V106 P110	Q10-V91 WeakPolarHBondContact CA-O 3.49Å; L11-V91 HydrophobicContact CB-CG1 4.18Å; L11-V91 PolarHBondContact N-O 3.12Å; L11-V91 PolarHBondContact O-N 2.92Å; I65-V91 HydrophobicContact CD1-CG1 3.93Å; V91-V93 HydrophobicContact CG1-CG1 4Å; V91-V93 HydrophobicContact CG2-CG1 4.39Å; V91-V106 HydrophobicContact CG2-CB 4.2Å; V91-V106 HydrophobicContact CG2-CG1 3.5Å; V91-V106 HydrophobicContact CG2-CG2 3.74Å; V91-P110 HydrophobicContact CB-CB 4.13Å; V91-P110 HydrophobicContact CG2-CB 4.21Å
92	Q	87.2	Confident	75.3	Confident	55 Å²	55	58.6 Å²	58.6	26%	0.257	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	134	171.6	-60.9	-169.7	13.8	0	0	110.2	Q107	Q92-Q107 PolarHBondContact O-N 3.18Å
93	V	85.9	Confident	75	Confident	0 Å²	0	60 Å²	60	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	159.8	-176.9	-49.5	0	0	0	0	113.2	R9 L11 V76 V91 Y104 Q105 V106	R9-V93 HydrophobicContact CB-CG2 4.08Å; R9-V93 PolarHBondContact N-O 3.1Å; R9-V93 WeakPolarHBondContact O-CG2 3.28Å; R9-V93 PolarHBondContact O-N 3.3Å; L11-V93 HydrophobicContact CD1-CG1 3.88Å; L11-V93 HydrophobicContact CD1-CG2 3.82Å; L11-V93 HydrophobicContact CD2-CG2 4.41Å; L11-V93 HydrophobicContact CG-CG1 4.21Å; L11-V93 HydrophobicContact CG-CG2 3.82Å; V76-V93 HydrophobicContact CG1-CG1 4.21Å; V91-V93 HydrophobicContact CG1-CG1 4Å; V91-V93 HydrophobicContact CG2-CG1 4.39Å; V93-Y104 HydrophobicContact CG2-CD1 3.66Å; V93-Y104 HydrophobicContact CG2-CE1 4.42Å; V93-Y104 HydrophobicContact CG2-CG 3.86Å; V93-Q105 CarbonylContact C-O 3.55Å; V93-Q105 VanDerWaalsContact CA-O 3.31Å; V93-Q105 WeakPolarHBondContact CA-O 3.44Å; V93-V106 HydrophobicContact CG1-CG2 4.32Å
94	K	85.8	Confident	75.1	Confident	87 Å²	87	58.2 Å²	58.2	38%	0.378	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	135.6	-178.6	-173.7	179.1	-179.7	-177.3	0	109.5	L8 Y104 Q105 Q107	L8-K94 HydrophobicContact CD2-CB 4.07Å; L8-K94 HydrophobicContact CD2-CG 4.38Å; K94-Y104 CarbonylContact O-C 3.24Å; K94-Y104 WeakPolarHBondContact O-CA 3.2Å; K94-Q105 PolarHBondContact N-O 3.31Å; K94-Q105 PolarHBondContact O-N 3.38Å; K94-Q107 HydrophobicContact CB-CG 4.09Å
95	P	80.3	Confident	75.4	Confident	77 Å²	77	61.3 Å²	61.3	50%	0.5	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	140.3	-179.5	27.4	-34.5	0	0	0	111.8	V97 Y104	P95-V97 PolarHBondContact O-N 2.92Å; P95-Y104 HydrophobicContact CB-CD1 4.22Å; P95-Y104 HydrophobicContact CB-CE1 4.18Å
96	V	75.3	Confident	75.6	Confident	55 Å²	55	61.1 Å²	61.1	33%	0.333	32%	0.317	S	S	.	.			trans	-79.7	115.9	178.5	-179.6	0	0	0	0	110.1	G98 S99 Q103 Q105	V96-G98 PolarHBondContact O-N 3.48Å; V96-S99 PolarHBondContact O-N 2.76Å; V96-Q103 HydrophobicContact CB-CB 4.49Å; V96-Q103 HydrophobicContact CG2-CB 4.43Å; V96-Q103 PolarHBondContact N-O 2.86Å; V96-Q105 HydrophobicContact CG2-CB 4.2Å
97	V	57.3	Low	75.6	Confident	128 Å²	128	64 Å²	64	78%	0.776	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	131	-178.2	-177.1	0	0	0	0	110.4	P95	P95-V97 PolarHBondContact O-N 2.92Å
98	G	54.9	Low	75.4	Confident	80 Å²	80	65.4 Å²	65.4	83%	0.825	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.5	-11.9	178	0	0	0	0	0	115.6	V96	V96-G98 PolarHBondContact O-N 3.48Å
99	S	48.6	Very low	75.3	Confident	49 Å²	49	64 Å²	64	34%	0.343	34%	0.341	S	S	.	.			trans	-80.5	127.6	177.7	-74.9	0	0	0	0	112.7	V96 S101	V96-S99 PolarHBondContact O-N 2.76Å; S99-S101 PolarHBondContact O-N 3.18Å
100	R	48.3	Very low	75.2	Confident	261 Å²	261	64 Å²	64	99%	0.985	34%	0.341	S	S	*	.	S	Bend	trans	-79.6	16.4	171.1	-69.6	-173.7	176.1	178.9	-0.7	114.3
101	S	56	Low	75.2	Confident	61 Å²	61	62 Å²	62	43%	0.427	33%	0.334	S	S	.	.	S	Bend	trans	-139.1	157.2	-179.6	51.5	0	0	0	0	109.7	S99 Q103	S99-S101 PolarHBondContact O-N 3.18Å; S101-Q103 PolarHBondContact O-N 3.34Å; S101-Q103 PolarHBondContact OG-NE2 3.13Å
102	Y	62.2	Low	75.2	Confident	159 Å²	159	61.8 Å²	61.8	62%	0.624	33%	0.332	S	S	*	.			trans	-67.9	64.5	-177.9	-58.6	-79.2	0	0	0	112.9	K75	K75-Y102 PolarHBondContact N-O 2.85Å; K75-Y102 VanDerWaalsContact N-O 3.11Å
103	Q	78	Confident	75.1	Confident	50 Å²	50	61.5 Å²	61.5	23%	0.234	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	124.2	177.2	-71.7	-171.6	64.8	0	0	110.2	K75 V96 S101	K75-Q103 HydrophobicContact CB-CG 4.12Å; K75-Q103 WeakPolarHBondContact O-CA 3.48Å; V96-Q103 HydrophobicContact CB-CB 4.49Å; V96-Q103 HydrophobicContact CG2-CB 4.43Å; V96-Q103 PolarHBondContact N-O 2.86Å; S101-Q103 PolarHBondContact O-N 3.34Å; S101-Q103 PolarHBondContact OG-NE2 3.13Å
104	Y	82.4	Confident	74.9	Confident	25 Å²	25	63 Å²	63	10%	0.098	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	147.1	-178.3	-63	-87.1	0	0	0	110.6	R9 C74 K75 V76 L77 V93 K94 P95	R9-Y104 PolarHBondContact NH1-OH 2.72Å; R9-Y104 VanDerWaalsContact NH1-OH 3.16Å; C74-Y104 HydrophobicContact CB-CD2 3.91Å; C74-Y104 HydrophobicContact CB-CE2 4.04Å; K75-Y104 PolarHBondContact O-N 3.24Å; V76-Y104 WeakPolarHBondContact CA-O 3.48Å; L77-Y104 PolarHBondContact N-O 2.93Å; V93-Y104 HydrophobicContact CG2-CD1 3.66Å; V93-Y104 HydrophobicContact CG2-CE1 4.42Å; V93-Y104 HydrophobicContact CG2-CG 3.86Å; K94-Y104 CarbonylContact O-C 3.24Å; K94-Y104 WeakPolarHBondContact O-CA 3.2Å; P95-Y104 HydrophobicContact CB-CD1 4.22Å; P95-Y104 HydrophobicContact CB-CE1 4.18Å
105	Q	83.7	Confident	74.4	Confident	67 Å²	67	60.3 Å²	60.3	31%	0.313	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	131.7	173.3	-170.7	178.1	16.6	0	0	109.2	V33 L77 V93 K94 V96	V33-Q105 VanDerWaalsContact CG2-NE2 3.33Å; L77-Q105 WeakPolarHBondContact O-CA 3.43Å; V93-Q105 CarbonylContact C-O 3.55Å; V93-Q105 VanDerWaalsContact CA-O 3.31Å; V93-Q105 WeakPolarHBondContact CA-O 3.44Å; K94-Q105 PolarHBondContact N-O 3.31Å; K94-Q105 PolarHBondContact O-N 3.38Å; V96-Q105 HydrophobicContact CG2-CB 4.2Å
106	V	82.4	Confident	73.2	Confident	14 Å²	14	61.3 Å²	61.3	9%	0.085	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	145.7	175	173.3	0	0	0	0	110.7	V76 L77 F80 V91 V93 G108	V76-V106 HydrophobicContact CG1-CG2 3.46Å; V76-V106 VanDerWaalsContact CG1-CG2 3.46Å; L77-V106 PolarHBondContact O-N 2.88Å; F80-V106 HydrophobicContact CE2-CG2 4.28Å; F80-V106 HydrophobicContact CZ-CG2 4.04Å; V91-V106 HydrophobicContact CG2-CB 4.2Å; V91-V106 HydrophobicContact CG2-CG1 3.5Å; V91-V106 HydrophobicContact CG2-CG2 3.74Å; V93-V106 HydrophobicContact CG1-CG2 4.32Å; V106-G108 WeakPolarHBondContact CG1-O 3.42Å
107	Q	81.6	Confident	72.1	Confident	62 Å²	62	63.5 Å²	63.5	29%	0.29	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	123.9	165.1	-54.5	-69.6	-110.2	0	0	107.7	L8 Q92 K94	L8-Q107 HydrophobicContact CD2-CG 3.93Å; Q92-Q107 PolarHBondContact O-N 3.18Å; K94-Q107 HydrophobicContact CB-CG 4.09Å
108	G	78.9	Confident	72	Confident	30 Å²	30	57.7 Å²	57.7	31%	0.309	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	75.3	-140.3	-171.5	0	0	0	0	0	112.9	V106	V106-G108 WeakPolarHBondContact CG1-O 3.42Å
109	F	84.4	Confident	71.7	Confident	21 Å²	21	56.9 Å²	56.9	9%	0.092	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	156	-177.5	-71.3	-93.5	0	0	0	110.6	L57 R79 P222 P226	L57-F109 HydrophobicContact CD1-CZ 4.29Å; L57-F109 HydrophobicContact CD2-CE1 4.13Å; L57-F109 HydrophobicContact CD2-CZ 3.73Å; R79-F109 HydrophobicContact CB-CD1 4.15Å; R79-F109 HydrophobicContact CB-CE1 3.7Å; R79-F109 HydrophobicContact CB-CZ 4.47Å; F109-P222 WeakPolarHBondContact CB-O 3.17Å; F109-P226 HydrophobicContact CD1-CB 3.78Å; F109-P226 HydrophobicContact CD2-CB 3.62Å; F109-P226 HydrophobicContact CD2-CG 3.74Å; F109-P226 HydrophobicContact CE1-CB 3.71Å; F109-P226 HydrophobicContact CE2-CB 3.57Å; F109-P226 HydrophobicContact CE2-CG 3.53Å; F109-P226 HydrophobicContact CG-CB 3.75Å; F109-P226 HydrophobicContact CG-CG 4.36Å; F109-P226 HydrophobicContact CZ-CB 3.61Å; F109-P226 HydrophobicContact CZ-CG 3.98Å
110	P	87.8	Confident	71.7	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	140.9	178.4	31.6	-34.9	0	0	0	112.4	R79 F80 V89 V91 Y112 P222	R79-P110 VanDerWaalsContact O-CD 3.29Å; R79-P110 WeakPolarHBondContact O-CD 3.15Å; F80-P110 HydrophobicContact CD1-CB 4.3Å; F80-P110 HydrophobicContact CD1-CG 3.69Å; F80-P110 HydrophobicContact CE1-CB 4.16Å; F80-P110 HydrophobicContact CE1-CG 3.98Å; F80-P110 HydrophobicContact CG-CG 4.45Å; V89-P110 HydrophobicContact CB-CB 4.23Å; V89-P110 HydrophobicContact CG1-CB 4.19Å; V91-P110 HydrophobicContact CB-CB 4.13Å; V91-P110 HydrophobicContact CG2-CB 4.21Å; P110-Y112 HydrophobicContact CB-CE2 4.41Å; P110-Y112 HydrophobicContact CG-CE2 3.71Å; P110-Y112 WeakPolarHBondContact O-CD2 3.33Å; P110-P222 WeakPolarHBondContact O-CG 3.5Å
111	S	88.8	Confident	71.9	Confident	16 Å²	16	52.2 Å²	52.2	11%	0.112	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	139.6	160.2	-65.3	0	0	0	0	109.7	V89 K90 E219	V89-S111 WeakPolarHBondContact CA-O 3.39Å; K90-S111 PolarHBondContact N-O 3.33Å; K90-S111 PolarHBondContact O-N 2.88Å; S111-E219 WeakPolarHBondContact CA-O 3.37Å; S111-E219 WeakPolarHBondContact CB-O 3.33Å; S111-E219 PolarHBondContact OG-O 2.97Å
112	Y	88.6	Confident	72.2	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	138.8	-179.7	-74.6	-94.4	0	0	0	112	L15 F80 P81 I82 W87 V89 P110 M218 P222 F229	L15-Y112 HydrophobicContact CD2-CE1 4.23Å; F80-Y112 WeakPolarHBondContact CA-OH 3.43Å; P81-Y112 WeakPolarHBondContact CD-OH 3.29Å; P81-Y112 HydrophobicContact CG-CE2 4.41Å; I82-Y112 HydrophobicContact CB-CE1 4.07Å; I82-Y112 PolarHBondContact N-OH 3Å; I82-Y112 VanDerWaalsContact N-OH 3.07Å; I82-Y112 VanDerWaalsContact O-CE1 3.29Å; I82-Y112 WeakPolarHBondContact O-CE1 3.45Å; I82-Y112 PolarHBondContact O-OH 2.9Å; W87-Y112 HydrophobicContact CB-CD1 4Å; W87-Y112 HydrophobicContact CB-CE1 4.34Å; W87-Y112 HydrophobicContact CD2-CD1 4.19Å; W87-Y112 HydrophobicContact CE3-CD1 4.34Å; W87-Y112 HydrophobicContact CG-CD1 4.02Å; W87-Y112 HydrophobicContact CG-CE1 4.36Å; V89-Y112 HydrophobicContact CG1-CD1 3.91Å; V89-Y112 HydrophobicContact CG1-CE1 3.78Å; P110-Y112 HydrophobicContact CB-CE2 4.41Å; P110-Y112 HydrophobicContact CG-CE2 3.71Å; P110-Y112 WeakPolarHBondContact O-CD2 3.33Å; Y112-M218 PolarHBondContact N-O 3.45Å; Y112-M218 CarbonylContact O-C 3.59Å; Y112-M218 VanDerWaalsContact O-C 3.24Å; Y112-M218 VanDerWaalsContact O-CB 3.27Å; Y112-M218 WeakPolarHBondContact O-CB 3.42Å; Y112-P222 HydrophobicContact CD2-CB 4.34Å; Y112-P222 HydrophobicContact CD2-CG 4Å; Y112-F229 HydrophobicContact CD2-CE1 4.42Å; Y112-F229 HydrophobicContact CD2-CZ 4.19Å; Y112-F229 HydrophobicContact CE2-CE1 4.43Å
113	F	86.3	Confident	72.5	Confident	49 Å²	49	47.3 Å²	47.3	22%	0.215	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	150	167.1	-50	-88	0	0	0	107.8	R88 K90 E219	R88-F113 HydrophobicContact CB-CB 4.35Å; R88-F113 PolarHBondContact N-O 2.82Å; R88-F113 PolarHBondContact O-N 3.43Å; R88-F113 VanDerWaalsContact O-O 3.13Å; K90-F113 HydrophobicContact CB-CE2 3.84Å; K90-F113 HydrophobicContact CD-CE2 4.33Å; F113-E219 HydrophobicContact CE1-CB 4Å; F113-E219 HydrophobicContact CE1-CG 3.8Å; F113-E219 HydrophobicContact CZ-CB 4.27Å; F113-E219 HydrophobicContact CZ-CG 3.65Å
114	L	82	Confident	72.1	Confident	31 Å²	31	50.3 Å²	50.3	16%	0.162	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	147.5	161.1	-71.3	166.8	0	0	0	108.5	W87 S116 F159 V208 A211 L212	W87-L114 HydrophobicContact CE3-CD2 3.86Å; W87-L114 HydrophobicContact CE3-CG 4.35Å; W87-L114 HydrophobicContact CH2-CD2 3.72Å; W87-L114 HydrophobicContact CH2-CG 4.41Å; W87-L114 HydrophobicContact CZ2-CD2 4.48Å; W87-L114 HydrophobicContact CZ3-CD2 3.36Å; W87-L114 HydrophobicContact CZ3-CG 3.75Å; L114-S116 PolarHBondContact O-N 2.82Å; L114-F159 HydrophobicContact CD2-CD2 4.49Å; L114-V208 HydrophobicContact CD1-CG1 4.39Å; L114-V208 HydrophobicContact CD2-CB 4.47Å; L114-V208 HydrophobicContact CD2-CG1 4.05Å; L114-V208 HydrophobicContact CD2-CG2 4.08Å; L114-A211 HydrophobicContact CD1-CB 3.95Å; L114-A211 HydrophobicContact CD2-CB 4.45Å; L114-A211 HydrophobicContact CG-CB 4.06Å; L114-L212 HydrophobicContact CD1-CD2 3.44Å; L114-L212 VanDerWaalsContact CD1-CD2 3.44Å; L114-L212 HydrophobicContact CD1-CG 3.65Å
115	Q	73.8	Confident	71.6	Confident	31 Å²	31	54.2 Å²	54.2	15%	0.145	31%	0.305	C	S	.	.			trans	-62.4	111	166.9	-74.8	167.7	28	0	0	107.8	A85 W86 W87 R88 D117	A85-Q115 PolarHBondContact O-NE2 2.92Å; W86-Q115 VanDerWaalsContact C-NE2 3.31Å; W86-Q115 WeakPolarHBondContact O-CB 3.29Å; W86-Q115 VanDerWaalsContact O-CG 3.26Å; W86-Q115 WeakPolarHBondContact O-CG 3.14Å; W86-Q115 PolarHBondContact O-N 3.49Å; W87-Q115 PolarHBondContact O-NE2 3Å; R88-Q115 HydrophobicContact CB-CG 3.96Å; Q115-D117 PolarHBondContact O-N 3.46Å; Q115-D117 VanDerWaalsContact O-N 3.15Å
116	S	56.3	Low	71.2	Confident	98 Å²	98	51.9 Å²	51.9	69%	0.685	29%	0.294	S	S	*	.	S	Bend	trans	-61.5	114	-179.6	49.1	0	0	0	0	108.9	L114	L114-S116 PolarHBondContact O-N 2.82Å
117	D	52.7	Low	70.8	Confident	101 Å²	101	51.2 Å²	51.2	54%	0.54	29%	0.29	S	S	.	.			trans	59	131.7	-163.2	-56.6	-38.1	0	0	0	116	Q115 S119	Q115-D117 PolarHBondContact O-N 3.46Å; Q115-D117 VanDerWaalsContact O-N 3.15Å; D117-S119 WeakPolarHBondContact CB-OG 3.43Å; D117-S119 PolarHBondContact O-N 2.81Å
118	M	54.5	Low	70.5	Confident	6 Å²	6	49.6 Å²	49.6	3%	0.03	29%	0.287	C	S	.	.			trans	-66.1	84.1	141.6	-65.8	-171.8	-148.5	0	0	107	Q123 C127 L157 F159 L162	M118-Q123 HydrophobicContact CB-CB 4.13Å; M118-Q123 HydrophobicContact CB-CG 4.37Å; M118-Q123 VanDerWaalsContact O-CG 3.29Å; M118-Q123 WeakPolarHBondContact O-CG 3.45Å; M118-Q123 PolarHBondContact O-NE2 2.75Å; M118-C127 HydrophobicContact CE-CB 4.23Å; M118-C127 HydrophobicContact SD-CB 3.8Å; M118-L157 WeakPolarHBondContact CB-O 3.36Å; M118-L157 HydrophobicContact SD-CD2 3.94Å; M118-L157 HydrophobicContact SD-CG 4.11Å; M118-F159 HydrophobicContact CE-CD1 3.69Å; M118-F159 HydrophobicContact CE-CD2 4.09Å; M118-F159 HydrophobicContact CE-CE1 3.53Å; M118-F159 HydrophobicContact CE-CE2 3.92Å; M118-F159 HydrophobicContact CE-CG 3.99Å; M118-F159 HydrophobicContact CE-CZ 3.64Å; M118-F159 HydrophobicContact CG-CE2 4.31Å; M118-L162 HydrophobicContact CE-CD2 4.25Å
119	S	48	Very low	70.4	Confident	63 Å²	63	51 Å²	51	44%	0.441	29%	0.288	S	S	.	.			trans	-98.5	155.1	175.4	-100.6	0	0	0	0	112.2	D117 N122 Q123	D117-S119 WeakPolarHBondContact CB-OG 3.43Å; D117-S119 PolarHBondContact O-N 2.81Å; S119-N122 PolarHBondContact O-N 3.41Å; S119-Q123 VanDerWaalsContact O-CG 3.32Å; S119-Q123 WeakPolarHBondContact O-CG 3.17Å
120	P	49.1	Very low	70.2	Confident	98 Å²	98	50 Å²	50	64%	0.636	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	143.9	-178.8	-23.9	33.7	0	0	0	112.8
121	P	52	Low	69.9	Low	115 Å²	115	50.1 Å²	50.1	75%	0.747	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	cis	-95	-8	7.2	36.2	-35.5	0	0	0	115.1	Q123	P121-Q123 PolarHBondContact O-N 2.7Å
122	N	63.2	Low	69.5	Low	96 Å²	96	56.1 Å²	56.1	51%	0.513	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-4.3	-163.2	-71.7	-21.6	0	0	0	115.4	S119 K124 H125 I126	S119-N122 PolarHBondContact O-N 3.41Å; N122-K124 VanDerWaalsContact C-N 3.35Å; N122-K124 PolarHBondContact O-N 2.71Å; N122-H125 PolarHBondContact O-N 2.67Å; N122-I126 HydrophobicContact CB-CD1 3.89Å; N122-I126 HydrophobicContact CB-CG1 4.33Å; N122-I126 PolarHBondContact O-N 2.76Å
123	Q	68.5	Low	68.9	Low	21 Å²	21	60.5 Å²	60.5	10%	0.098	33%	0.328	C	S	.	.	H	α-helix	trans	-42.7	-55.1	-176.5	-41.4	-179.5	-82.3	0	0	113.3	M118 S119 P121 H125 I126 C127 Y154	M118-Q123 HydrophobicContact CB-CB 4.13Å; M118-Q123 HydrophobicContact CB-CG 4.37Å; M118-Q123 VanDerWaalsContact O-CG 3.29Å; M118-Q123 WeakPolarHBondContact O-CG 3.45Å; M118-Q123 PolarHBondContact O-NE2 2.75Å; S119-Q123 VanDerWaalsContact O-CG 3.32Å; S119-Q123 WeakPolarHBondContact O-CG 3.17Å; P121-Q123 PolarHBondContact O-N 2.7Å; Q123-H125 VanDerWaalsContact C-N 3.31Å; Q123-H125 PolarHBondContact O-N 2.84Å; Q123-I126 PolarHBondContact O-N 2.71Å; Q123-C127 WeakPolarHBondContact O-CB 3.28Å; Q123-C127 PolarHBondContact O-N 2.93Å; Q123-Y154 PolarHBondContact NE2-O 3.37Å
124	K	69.3	Low	68.5	Low	113 Å²	113	58.2 Å²	58.2	49%	0.491	32%	0.318	S	S	.	.	H	α-helix	trans	-61.8	-37.4	-177.7	-173	-178.8	-179.3	179.5	0	112.4	N122 A128 L145 Y154	N122-K124 VanDerWaalsContact C-N 3.35Å; N122-K124 PolarHBondContact O-N 2.71Å; K124-A128 WeakPolarHBondContact O-CB 3.48Å; K124-A128 PolarHBondContact O-N 3.03Å; K124-L145 HydrophobicContact CG-CD1 4.04Å; K124-L145 HydrophobicContact CG-CD2 4.37Å; K124-Y154 HydrophobicContact CB-CE1 4.25Å; K124-Y154 HydrophobicContact CG-CE1 4.41Å
125	H	72.6	Confident	68.4	Low	106 Å²	106	63.4 Å²	63.4	49%	0.491	34%	0.342	S	S	.	.	H	α-helix	trans	-73.5	-45.5	-178.8	-172	43.6	0	0	0	111.4	N122 Q123 A128 L129	N122-H125 PolarHBondContact O-N 2.67Å; Q123-H125 VanDerWaalsContact C-N 3.31Å; Q123-H125 PolarHBondContact O-N 2.84Å; H125-A128 PolarHBondContact O-N 2.77Å; H125-L129 WeakPolarHBondContact O-CG 3.42Å; H125-L129 PolarHBondContact O-N 3.13Å
126	I	73.6	Confident	68.6	Low	19 Å²	19	63.5 Å²	63.5	10%	0.097	34%	0.344	C	S	.	.	H	α-helix	trans	-63.9	-45.6	179.2	-62.7	167.1	0	0	0	110.4	W86 N122 Q123 L129 F130 F159	W86-I126 HydrophobicContact CB-CG2 3.66Å; N122-I126 HydrophobicContact CB-CD1 3.89Å; N122-I126 HydrophobicContact CB-CG1 4.33Å; N122-I126 PolarHBondContact O-N 2.76Å; Q123-I126 PolarHBondContact O-N 2.71Å; I126-L129 PolarHBondContact O-N 3.35Å; I126-F130 WeakPolarHBondContact O-CB 3.35Å; I126-F130 PolarHBondContact O-N 2.84Å; I126-F159 HydrophobicContact CG2-CE2 4.43Å; I126-F159 HydrophobicContact CG2-CZ 4.19Å
127	C	75.2	Confident	69.7	Low	0 Å²	0	62 Å²	62	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-62.6	-43.8	176.1	-170.5	0	0	0	0	112.3	M118 Q123 L129 F130 L131 L145 L157	M118-C127 HydrophobicContact CE-CB 4.23Å; M118-C127 HydrophobicContact SD-CB 3.8Å; Q123-C127 WeakPolarHBondContact O-CB 3.28Å; Q123-C127 PolarHBondContact O-N 2.93Å; C127-L129 PolarHBondContact O-N 2.83Å; C127-F130 PolarHBondContact O-N 3.33Å; C127-L131 WeakPolarHBondContact O-CB 3.44Å; C127-L131 WeakPolarHBondContact O-CG 3.44Å; C127-L131 PolarHBondContact O-N 3.08Å; C127-L145 HydrophobicContact CB-CD2 4.18Å; C127-L157 HydrophobicContact CB-CD2 4.15Å
128	A	75.4	Confident	71	Confident	27 Å²	27	60.9 Å²	60.9	22%	0.223	33%	0.334	C	S	.	.	H	α-helix	trans	-62.9	-41.5	177.4	0	0	0	0	0	112.8	K124 H125 K132 I141 L145	K124-A128 WeakPolarHBondContact O-CB 3.48Å; K124-A128 PolarHBondContact O-N 3.03Å; H125-A128 PolarHBondContact O-N 2.77Å; A128-K132 VanDerWaalsContact O-CB 3.26Å; A128-K132 WeakPolarHBondContact O-CB 3.48Å; A128-K132 PolarHBondContact O-N 3.12Å; A128-I141 HydrophobicContact CB-CG2 4.09Å; A128-L145 HydrophobicContact CB-CD1 3.98Å
129	L	76.6	Confident	72.1	Confident	61 Å²	61	65.8 Å²	65.8	32%	0.319	36%	0.36	S	S	.	.	H	α-helix	trans	-64.2	-47.2	175.5	-72.1	174.1	0	0	0	111.4	A85 H125 I126 C127 K132 E133	A85-L129 HydrophobicContact CB-CD1 3.98Å; H125-L129 WeakPolarHBondContact O-CG 3.42Å; H125-L129 PolarHBondContact O-N 3.13Å; I126-L129 PolarHBondContact O-N 3.35Å; C127-L129 PolarHBondContact O-N 2.83Å; L129-K132 PolarHBondContact O-N 2.82Å; L129-E133 PolarHBondContact O-N 2.59Å
130	F	81.1	Confident	73.5	Confident	0 Å²	0	65.2 Å²	65.2	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-59.9	-48.1	178.5	173.1	-104.7	0	0	0	112.7	W86 I126 C127 K132 E133 C134 F159 L162 F205 V208	W86-F130 HydrophobicContact CD2-CB 4.43Å; W86-F130 AromaticContact CD2-CD2 3.96Å; W86-F130 HydrophobicContact CD2-CD2 3.96Å; W86-F130 AromaticContact CE2-CD2 3.79Å; W86-F130 HydrophobicContact CE3-CB 3.94Å; W86-F130 HydrophobicContact CE3-CD2 4.1Å; W86-F130 AromaticContact CH2-CD2 3.89Å; W86-F130 HydrophobicContact CH2-CD2 3.89Å; W86-F130 AromaticContact CZ2-CD2 3.76Å; W86-F130 HydrophobicContact CZ2-CD2 3.76Å; W86-F130 HydrophobicContact CZ2-CE2 4.25Å; W86-F130 HydrophobicContact CZ3-CB 4.11Å; W86-F130 HydrophobicContact CZ3-CD2 4.07Å; I126-F130 WeakPolarHBondContact O-CB 3.35Å; I126-F130 PolarHBondContact O-N 2.84Å; C127-F130 PolarHBondContact O-N 3.33Å; F130-K132 VanDerWaalsContact C-N 3.33Å; F130-K132 PolarHBondContact O-N 2.93Å; F130-E133 PolarHBondContact O-N 3.04Å; F130-C134 PolarHBondContact O-N 3.1Å; F130-C134 PolarHBondContact O-SG 2.9Å; F130-F159 HydrophobicContact CB-CE1 4.43Å; F130-F159 AromaticContact CD1-CE1 3.98Å; F130-F159 HydrophobicContact CD1-CE1 3.98Å; F130-F159 HydrophobicContact CD2-CE1 4.07Å; F130-F159 HydrophobicContact CE1-CE1 4.2Å; F130-F159 HydrophobicContact CE2-CE1 4.29Å; F130-F159 AromaticContact CG-CE1 3.89Å; F130-F159 HydrophobicContact CG-CE1 3.89Å; F130-F159 HydrophobicContact CZ-CE1 4.33Å; F130-L162 HydrophobicContact CD1-CD2 3.81Å; F130-L162 HydrophobicContact CE1-CD2 3.48Å; F130-L162 VanDerWaalsContact CE1-CD2 3.48Å; F130-L162 HydrophobicContact CZ-CD2 4.48Å; F130-F205 HydrophobicContact CE1-CD2 4.03Å; F130-F205 HydrophobicContact CZ-CB 4.36Å; F130-F205 AromaticContact CZ-CD2 3.84Å; F130-F205 HydrophobicContact CZ-CD2 3.84Å; F130-F205 HydrophobicContact CZ-CG 4.45Å; F130-V208 HydrophobicContact CD2-CG2 4.2Å; F130-V208 HydrophobicContact CE2-CB 4.02Å; F130-V208 HydrophobicContact CE2-CG2 3.51Å; F130-V208 HydrophobicContact CZ-CB 4.25Å; F130-V208 HydrophobicContact CZ-CG2 4.22Å
131	L	79.9	Confident	75	Confident	2 Å²	2	61 Å²	61	1%	0.01	33%	0.326	C	S	.	.	H	α-helix	trans	-66.6	-34.8	178.6	-66.9	175.5	0	0	0	112	C127 C134 E135 V136 I141 F144 L166 L199	C127-L131 WeakPolarHBondContact O-CB 3.44Å; C127-L131 WeakPolarHBondContact O-CG 3.44Å; C127-L131 PolarHBondContact O-N 3.08Å; L131-C134 CarbonylContact O-C 3.6Å; L131-C134 PolarHBondContact O-N 2.92Å; L131-E135 PolarHBondContact O-N 2.81Å; L131-V136 HydrophobicContact CB-CB 4.28Å; L131-V136 HydrophobicContact CB-CG2 4.24Å; L131-V136 HydrophobicContact CD2-CG2 4.37Å; L131-V136 WeakPolarHBondContact O-CB 3.39Å; L131-V136 WeakPolarHBondContact O-CG2 3.23Å; L131-V136 PolarHBondContact O-N 3.03Å; L131-I141 HydrophobicContact CB-CD1 3.81Å; L131-I141 HydrophobicContact CB-CG1 3.79Å; L131-I141 HydrophobicContact CD1-CG1 4.41Å; L131-F144 HydrophobicContact CD1-CD1 3.7Å; L131-F144 HydrophobicContact CD1-CE1 3.99Å; L131-L166 HydrophobicContact CD2-CD1 4.28Å; L131-L199 HydrophobicContact CD2-CD2 3.9Å
132	K	80.3	Confident	76.4	Confident	142 Å²	142	60.1 Å²	60.1	62%	0.617	32%	0.315	S	S	*	.	H	α-helix	trans	-65.6	-41.9	173.9	-175.1	-174.9	176.5	-171.3	0	111.8	A128 L129 F130 C134 E135 I141	A128-K132 VanDerWaalsContact O-CB 3.26Å; A128-K132 WeakPolarHBondContact O-CB 3.48Å; A128-K132 PolarHBondContact O-N 3.12Å; L129-K132 PolarHBondContact O-N 2.82Å; F130-K132 VanDerWaalsContact C-N 3.33Å; F130-K132 PolarHBondContact O-N 2.93Å; K132-C134 PolarHBondContact O-N 3.23Å; K132-E135 PolarHBondContact O-N 3.33Å; K132-I141 HydrophobicContact CB-CD1 4Å
133	E	77.3	Confident	77.2	Confident	91 Å²	91	62.3 Å²	62.3	43%	0.425	32%	0.32	S	S	.	.	H	α-helix	trans	-69.3	-23.8	176.5	-155.7	176.4	126.9	0	0	112	W86 L129 F130 E135 P204	W86-E133 HydrophobicContact CH2-CB 4.13Å; W86-E133 VanDerWaalsContact CH2-CD 3.42Å; W86-E133 HydrophobicContact CH2-CG 4.28Å; W86-E133 WeakPolarHBondContact CH2-OE1 3.42Å; W86-E133 WeakPolarHBondContact CH2-OE2 3.03Å; W86-E133 HydrophobicContact CZ3-CB 4.32Å; W86-E133 WeakPolarHBondContact CZ3-OE2 3.22Å; L129-E133 PolarHBondContact O-N 2.59Å; F130-E133 PolarHBondContact O-N 3.04Å; E133-E135 PolarHBondContact O-N 2.77Å; E133-P204 HydrophobicContact CG-CG 4.12Å
134	C	77.9	Confident	77.9	Confident	1 Å²	1	61.4 Å²	61.4	1%	0.007	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	15.1	167.5	-57.3	0	0	0	0	114	F130 L131 K132 V136 L199 K202	F130-C134 PolarHBondContact O-N 3.1Å; F130-C134 PolarHBondContact O-SG 2.9Å; L131-C134 CarbonylContact O-C 3.6Å; L131-C134 PolarHBondContact O-N 2.92Å; K132-C134 PolarHBondContact O-N 3.23Å; C134-V136 VanDerWaalsContact C-N 3.31Å; C134-V136 PolarHBondContact O-N 2.94Å; C134-L199 HydrophobicContact CB-CD1 3.5Å; C134-L199 HydrophobicContact CB-CD2 4.41Å; C134-L199 HydrophobicContact CB-CG 4.03Å; C134-L199 WeakPolarHBondContact O-CD1 3.47Å; C134-K202 HydrophobicContact CB-CB 4.41Å
135	E	78.6	Confident	78.5	Confident	141 Å²	141	56.2 Å²	56.2	66%	0.659	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.1	22.7	178.1	-58.3	164.5	-118.1	0	0	115.8	L131 K132 E133 K202	L131-E135 PolarHBondContact O-N 2.81Å; K132-E135 PolarHBondContact O-N 3.33Å; E133-E135 PolarHBondContact O-N 2.77Å; E135-K202 WeakPolarHBondContact OE1-CE 3.49Å; E135-K202 IonicContact OE1-NZ 2.67Å; E135-K202 PolarHBondContact OE1-NZ 3.02Å; E135-K202 IonicContact OE2-NZ 2.63Å; E135-K202 PolarHBondContact OE2-NZ 3.41Å
136	V	78.9	Confident	78.8	Confident	32 Å²	32	53.5 Å²	53.5	19%	0.194	29%	0.289	C	S	.	.			trans	-74	135.1	171.1	-171.4	0	0	0	0	109.7	L131 C134 V140 I141 L199	L131-V136 HydrophobicContact CB-CB 4.28Å; L131-V136 HydrophobicContact CB-CG2 4.24Å; L131-V136 HydrophobicContact CD2-CG2 4.37Å; L131-V136 WeakPolarHBondContact O-CB 3.39Å; L131-V136 WeakPolarHBondContact O-CG2 3.23Å; L131-V136 PolarHBondContact O-N 3.03Å; C134-V136 VanDerWaalsContact C-N 3.31Å; C134-V136 PolarHBondContact O-N 2.94Å; V136-V140 HydrophobicContact CG1-CB 3.82Å; V136-V140 HydrophobicContact CG1-CG1 3.67Å; V136-I141 HydrophobicContact CB-CD1 4.12Å; V136-I141 HydrophobicContact CB-CG1 3.88Å; V136-I141 HydrophobicContact CG1-CD1 4.5Å; V136-I141 HydrophobicContact CG1-CG1 3.75Å; V136-I141 WeakPolarHBondContact O-CD1 3.27Å; V136-L199 HydrophobicContact CG2-CD1 3.41Å; V136-L199 VanDerWaalsContact CG2-CD1 3.41Å; V136-L199 HydrophobicContact CG2-CD2 4.37Å
137	S	79.3	Confident	79.3	Confident	67 Å²	67	53.6 Å²	53.6	47%	0.469	29%	0.288	S	S	.	.			trans	-66.5	144.8	178.8	67.2	0	0	0	0	112.2	D139 V140 I141	S137-D139 PolarHBondContact O-N 2.91Å; S137-D139 VanDerWaalsContact O-N 3.09Å; S137-V140 PolarHBondContact O-N 3.48Å; S137-V140 WeakPolarHBondContact OG-CG2 3.37Å; S137-I141 WeakPolarHBondContact O-CG1 3.43Å; S137-I141 PolarHBondContact O-N 3.11Å
138	S	79.9	Confident	79.6	Confident	77 Å²	77	53.6 Å²	53.6	54%	0.538	29%	0.288	S	S	.	.	H	α-helix	trans	-51.9	-36	-178.1	-56	0	0	0	0	113.3	I141 N142	S138-I141 PolarHBondContact O-N 3.34Å; S138-N142 WeakPolarHBondContact O-CB 3.03Å; S138-N142 PolarHBondContact O-N 3.07Å; S138-N142 PolarHBondContact O-ND2 3.5Å; S138-N142 VanDerWaalsContact O-ND2 3.1Å
139	D	76.9	Confident	79.8	Confident	110 Å²	110	56 Å²	56	59%	0.588	30%	0.297	S	S	*	.	H	α-helix	trans	-70.4	-38.2	-180	-57.2	-42.1	0	0	0	112.5	S137 N142 K143	S137-D139 PolarHBondContact O-N 2.91Å; S137-D139 VanDerWaalsContact O-N 3.09Å; D139-N142 PolarHBondContact O-N 3.01Å; D139-K143 WeakPolarHBondContact O-CB 3.3Å; D139-K143 VanDerWaalsContact O-CG 3.22Å; D139-K143 WeakPolarHBondContact O-CG 3.47Å; D139-K143 PolarHBondContact O-N 2.98Å
140	V	78.1	Confident	79.8	Confident	50 Å²	50	60.4 Å²	60.4	30%	0.303	32%	0.316	S	S	.	.	H	α-helix	trans	-70.9	-40	175	174.6	0	0	0	0	110.2	V136 S137 N142 K143 F144 F169	V136-V140 HydrophobicContact CG1-CB 3.82Å; V136-V140 HydrophobicContact CG1-CG1 3.67Å; S137-V140 PolarHBondContact O-N 3.48Å; S137-V140 WeakPolarHBondContact OG-CG2 3.37Å; V140-N142 PolarHBondContact O-N 2.87Å; V140-K143 PolarHBondContact O-N 2.98Å; V140-F144 VanDerWaalsContact O-CB 3.29Å; V140-F144 WeakPolarHBondContact O-CB 3.31Å; V140-F144 PolarHBondContact O-N 3.16Å; V140-F169 HydrophobicContact CG1-CE1 4.45Å
141	I	80.3	Confident	79.6	Confident	9 Å²	9	64.6 Å²	64.6	5%	0.046	34%	0.342	C	S	.	.	H	α-helix	trans	-58.9	-47.4	172.6	-64.2	174.4	0	0	0	110.6	A128 L131 K132 V136 S137 S138 F144 L145	A128-I141 HydrophobicContact CB-CG2 4.09Å; L131-I141 HydrophobicContact CB-CD1 3.81Å; L131-I141 HydrophobicContact CB-CG1 3.79Å; L131-I141 HydrophobicContact CD1-CG1 4.41Å; K132-I141 HydrophobicContact CB-CD1 4Å; V136-I141 HydrophobicContact CB-CD1 4.12Å; V136-I141 HydrophobicContact CB-CG1 3.88Å; V136-I141 HydrophobicContact CG1-CD1 4.5Å; V136-I141 HydrophobicContact CG1-CG1 3.75Å; V136-I141 WeakPolarHBondContact O-CD1 3.27Å; S137-I141 WeakPolarHBondContact O-CG1 3.43Å; S137-I141 PolarHBondContact O-N 3.11Å; S138-I141 PolarHBondContact O-N 3.34Å; I141-F144 PolarHBondContact O-N 3.25Å; I141-L145 HydrophobicContact CG2-CD1 3.62Å; I141-L145 HydrophobicContact CG2-CG 4.32Å; I141-L145 WeakPolarHBondContact O-CB 3.38Å; I141-L145 VanDerWaalsContact O-CG 3.25Å; I141-L145 WeakPolarHBondContact O-CG 3.45Å; I141-L145 PolarHBondContact O-N 3.2Å
142	N	81.4	Confident	79	Confident	98 Å²	98	66.1 Å²	66.1	52%	0.524	35%	0.353	S	S	.	.	H	α-helix	trans	-64.5	-43.1	179.4	-76.2	-34.3	0	0	0	112.3	S138 D139 V140 A146	S138-N142 WeakPolarHBondContact O-CB 3.03Å; S138-N142 PolarHBondContact O-N 3.07Å; S138-N142 PolarHBondContact O-ND2 3.5Å; S138-N142 VanDerWaalsContact O-ND2 3.1Å; D139-N142 PolarHBondContact O-N 3.01Å; V140-N142 PolarHBondContact O-N 2.87Å; N142-A146 WeakPolarHBondContact O-CB 3.44Å; N142-A146 PolarHBondContact O-N 3.32Å
143	K	81.1	Confident	78.5	Confident	142 Å²	142	64.3 Å²	64.3	62%	0.617	35%	0.349	S	S	*	.	H	α-helix	trans	-62	-43.2	174.3	-74	170.2	-179.2	-178.3	0	112.1	D139 V140 A146 W147 F169	D139-K143 WeakPolarHBondContact O-CB 3.3Å; D139-K143 VanDerWaalsContact O-CG 3.22Å; D139-K143 WeakPolarHBondContact O-CG 3.47Å; D139-K143 PolarHBondContact O-N 2.98Å; V140-K143 PolarHBondContact O-N 2.98Å; K143-A146 PolarHBondContact O-N 3.07Å; K143-W147 WeakPolarHBondContact O-CB 3.3Å; K143-W147 PolarHBondContact O-N 2.71Å; K143-F169 HydrophobicContact CB-CZ 4.06Å
144	F	82.2	Confident	78	Confident	2 Å²	2	61 Å²	61	1%	0.009	33%	0.333	C	S	.	.	H	α-helix	trans	-62.7	-50	177.2	176	-111.6	0	0	0	111.7	L131 V140 I141 A146 W147 V148 L157 L162 T165 L166 F169	L131-F144 HydrophobicContact CD1-CD1 3.7Å; L131-F144 HydrophobicContact CD1-CE1 3.99Å; V140-F144 VanDerWaalsContact O-CB 3.29Å; V140-F144 WeakPolarHBondContact O-CB 3.31Å; V140-F144 PolarHBondContact O-N 3.16Å; I141-F144 PolarHBondContact O-N 3.25Å; F144-A146 VanDerWaalsContact C-N 3.3Å; F144-A146 PolarHBondContact O-N 3.2Å; F144-W147 HydrophobicContact CD2-CE3 4.34Å; F144-W147 HydrophobicContact CE2-CE3 4.32Å; F144-W147 HydrophobicContact CE2-CZ3 4.24Å; F144-W147 PolarHBondContact O-N 2.86Å; F144-V148 HydrophobicContact CD1-CG2 4.34Å; F144-V148 HydrophobicContact CD2-CG2 4.11Å; F144-V148 HydrophobicContact CE1-CG2 3.95Å; F144-V148 HydrophobicContact CE2-CG2 3.69Å; F144-V148 HydrophobicContact CG-CG2 4.43Å; F144-V148 HydrophobicContact CZ-CG2 3.61Å; F144-V148 WeakPolarHBondContact O-CG2 3.42Å; F144-V148 PolarHBondContact O-N 3.02Å; F144-L157 HydrophobicContact CZ-CD1 4.33Å; F144-L162 HydrophobicContact CE1-CD1 4.08Å; F144-L162 HydrophobicContact CZ-CD1 3.98Å; F144-T165 HydrophobicContact CE2-CG2 3.99Å; F144-T165 HydrophobicContact CZ-CG2 3.91Å; F144-L166 HydrophobicContact CD1-CD2 4.37Å; F144-L166 HydrophobicContact CD2-CD2 3.95Å; F144-L166 HydrophobicContact CE1-CD2 4.12Å; F144-L166 HydrophobicContact CE2-CD2 3.67Å; F144-L166 HydrophobicContact CE2-CG 4.16Å; F144-L166 HydrophobicContact CG-CD2 4.29Å; F144-L166 HydrophobicContact CZ-CD2 3.76Å; F144-L166 HydrophobicContact CZ-CG 4.04Å; F144-F169 HydrophobicContact CB-CD1 4.41Å; F144-F169 HydrophobicContact CB-CE1 4.09Å; F144-F169 HydrophobicContact CB-CE2 4.32Å; F144-F169 HydrophobicContact CB-CZ 4.04Å; F144-F169 HydrophobicContact CD2-CB 3.85Å; F144-F169 AromaticContact CD2-CD1 3.83Å; F144-F169 HydrophobicContact CD2-CD1 3.83Å; F144-F169 HydrophobicContact CD2-CD2 4.02Å; F144-F169 HydrophobicContact CD2-CE1 4.35Å; F144-F169 AromaticContact CD2-CG 3.63Å; F144-F169 HydrophobicContact CD2-CG 3.63Å; F144-F169 HydrophobicContact CE2-CB 4.05Å; F144-F169 HydrophobicContact CE2-CG 4.34Å
145	L	81.3	Confident	77.3	Confident	4 Å²	4	69 Å²	69	2%	0.021	37%	0.368	C	S	.	.	H	α-helix	trans	-66.3	-31.4	-179.8	-65.7	169.6	0	0	0	112.5	K124 C127 A128 I141 N149 Y154	K124-L145 HydrophobicContact CG-CD1 4.04Å; K124-L145 HydrophobicContact CG-CD2 4.37Å; C127-L145 HydrophobicContact CB-CD2 4.18Å; A128-L145 HydrophobicContact CB-CD1 3.98Å; I141-L145 HydrophobicContact CG2-CD1 3.62Å; I141-L145 HydrophobicContact CG2-CG 4.32Å; I141-L145 WeakPolarHBondContact O-CB 3.38Å; I141-L145 VanDerWaalsContact O-CG 3.25Å; I141-L145 WeakPolarHBondContact O-CG 3.45Å; I141-L145 PolarHBondContact O-N 3.2Å; L145-N149 WeakPolarHBondContact O-CB 3.43Å; L145-N149 PolarHBondContact O-N 3.36Å; L145-N149 VanDerWaalsContact O-N 3.14Å; L145-Y154 HydrophobicContact CD2-CE1 4Å; L145-Y154 PolarHBondContact O-OH 3.06Å
146	A	80.3	Confident	76.5	Confident	48 Å²	48	67.9 Å²	67.9	40%	0.397	37%	0.366	S	S	.	.	H	α-helix	trans	-64.9	-48.4	170.4	0	0	0	0	0	111.6	N142 K143 F144 N149 E150	N142-A146 WeakPolarHBondContact O-CB 3.44Å; N142-A146 PolarHBondContact O-N 3.32Å; K143-A146 PolarHBondContact O-N 3.07Å; F144-A146 VanDerWaalsContact C-N 3.3Å; F144-A146 PolarHBondContact O-N 3.2Å; A146-N149 WeakPolarHBondContact O-CB 3.29Å; A146-N149 PolarHBondContact O-N 3.48Å; A146-E150 WeakPolarHBondContact O-CG 3.49Å; A146-E150 PolarHBondContact O-N 3.33Å
147	W	83.4	Confident	76.1	Confident	21 Å²	21	66.5 Å²	66.5	8%	0.08	36%	0.358	C	S	.	.	H	α-helix	trans	-63.4	-42.4	177.4	174.9	87.4	0	0	0	112.8	K143 F144 N149 E150 V151 T165 T168 F169 E172	K143-W147 WeakPolarHBondContact O-CB 3.3Å; K143-W147 PolarHBondContact O-N 2.71Å; F144-W147 HydrophobicContact CD2-CE3 4.34Å; F144-W147 HydrophobicContact CE2-CE3 4.32Å; F144-W147 HydrophobicContact CE2-CZ3 4.24Å; F144-W147 PolarHBondContact O-N 2.86Å; W147-N149 VanDerWaalsContact C-N 3.26Å; W147-N149 PolarHBondContact O-N 2.82Å; W147-E150 PolarHBondContact O-N 3.47Å; W147-V151 HydrophobicContact CD2-CG2 4.18Å; W147-V151 HydrophobicContact CG-CG2 4.3Å; W147-V151 HydrophobicContact CZ2-CG1 4.49Å; W147-V151 HydrophobicContact CZ2-CG2 4.16Å; W147-V151 WeakPolarHBondContact O-CB 3.49Å; W147-V151 WeakPolarHBondContact O-CG2 3.16Å; W147-V151 PolarHBondContact O-N 3.14Å; W147-T165 HydrophobicContact CH2-CG2 4.43Å; W147-T165 HydrophobicContact CZ3-CG2 3.79Å; W147-T168 HydrophobicContact CH2-CG2 3.94Å; W147-T168 HydrophobicContact CZ2-CG2 3.94Å; W147-F169 HydrophobicContact CB-CD2 3.89Å; W147-F169 HydrophobicContact CB-CE2 3.93Å; W147-F169 HydrophobicContact CD2-CB 4.31Å; W147-F169 AromaticContact CD2-CD2 3.69Å; W147-F169 HydrophobicContact CD2-CD2 3.69Å; W147-F169 HydrophobicContact CD2-CG 4.48Å; W147-F169 HydrophobicContact CE3-CB 3.89Å; W147-F169 AromaticContact CE3-CD2 3.8Å; W147-F169 HydrophobicContact CE3-CD2 3.8Å; W147-F169 HydrophobicContact CE3-CG 4.26Å; W147-F169 AromaticContact CG-CD2 3.74Å; W147-F169 HydrophobicContact CG-CD2 3.74Å; W147-F169 HydrophobicContact CG-CE2 4.22Å; W147-F169 HydrophobicContact CH2-CB 4.19Å; W147-F169 HydrophobicContact CZ3-CB 3.83Å; W147-E172 PolarHBondContact NE1-OE2 3Å
148	V	81.4	Confident	75.8	Confident	1 Å²	1	64.6 Å²	64.6	1%	0.006	34%	0.343	C	S	.	.	H	α-helix	trans	-60.9	-37.1	175	172.3	0	0	0	0	111.4	F144 S152 N153 Y154 L157 T165	F144-V148 HydrophobicContact CD1-CG2 4.34Å; F144-V148 HydrophobicContact CD2-CG2 4.11Å; F144-V148 HydrophobicContact CE1-CG2 3.95Å; F144-V148 HydrophobicContact CE2-CG2 3.69Å; F144-V148 HydrophobicContact CG-CG2 4.43Å; F144-V148 HydrophobicContact CZ-CG2 3.61Å; F144-V148 WeakPolarHBondContact O-CG2 3.42Å; F144-V148 PolarHBondContact O-N 3.02Å; V148-S152 WeakPolarHBondContact CG1-OG 3.14Å; V148-S152 PolarHBondContact O-N 3.47Å; V148-S152 PolarHBondContact O-OG 2.91Å; V148-N153 PolarHBondContact O-N 2.89Å; V148-Y154 HydrophobicContact CG1-CD1 3.8Å; V148-Y154 HydrophobicContact CG1-CE1 4.11Å; V148-Y154 HydrophobicContact CG1-CG 4.36Å; V148-L157 HydrophobicContact CG1-CB 4.29Å; V148-L157 HydrophobicContact CG1-CD1 4.33Å; V148-L157 HydrophobicContact CG1-CD2 4.28Å; V148-L157 HydrophobicContact CG2-CD1 4.49Å; V148-T165 HydrophobicContact CG2-CG2 4.02Å
149	N	79.9	Confident	75.5	Confident	77 Å²	77	61.4 Å²	61.4	41%	0.412	32%	0.319	S	S	.	.	H	α-helix	trans	-65.4	-46.1	174.7	-176.7	80.6	0	0	0	112	L145 A146 W147 N153 Y154	L145-N149 WeakPolarHBondContact O-CB 3.43Å; L145-N149 PolarHBondContact O-N 3.36Å; L145-N149 VanDerWaalsContact O-N 3.14Å; A146-N149 WeakPolarHBondContact O-CB 3.29Å; A146-N149 PolarHBondContact O-N 3.48Å; W147-N149 VanDerWaalsContact C-N 3.26Å; W147-N149 PolarHBondContact O-N 2.82Å; N149-N153 WeakPolarHBondContact O-CA 3.28Å; N149-N153 PolarHBondContact O-N 2.66Å; N149-N153 VanDerWaalsContact O-N 3.09Å; N149-Y154 HydrophobicContact CB-CD2 4.35Å; N149-Y154 HydrophobicContact CB-CE2 3.59Å; N149-Y154 VanDerWaalsContact OD1-CE2 3.3Å; N149-Y154 WeakPolarHBondContact OD1-CE2 3.49Å
150	E	76.4	Confident	75.3	Confident	154 Å²	154	62.6 Å²	62.6	72%	0.72	32%	0.321	S	S	*	.	H	α-helix	trans	-64.2	-44	177.7	-72	174.3	-179.8	0	0	112.9	A146 W147	A146-E150 WeakPolarHBondContact O-CG 3.49Å; A146-E150 PolarHBondContact O-N 3.33Å; W147-E150 PolarHBondContact O-N 3.47Å
151	V	76.9	Confident	75.2	Confident	88 Å²	88	62.2 Å²	62.2	53%	0.533	32%	0.317	S	S	.	.	H	α-helix	trans	-84.9	-34.2	-172.7	174.3	0	0	0	0	113.2	W147	W147-V151 HydrophobicContact CD2-CG2 4.18Å; W147-V151 HydrophobicContact CG-CG2 4.3Å; W147-V151 HydrophobicContact CZ2-CG1 4.49Å; W147-V151 HydrophobicContact CZ2-CG2 4.16Å; W147-V151 WeakPolarHBondContact O-CB 3.49Å; W147-V151 WeakPolarHBondContact O-CG2 3.16Å; W147-V151 PolarHBondContact O-N 3.14Å
152	S	67.6	Low	75.1	Confident	34 Å²	34	61.8 Å²	61.8	24%	0.238	32%	0.315	C	S	.	.	H	α-helix	trans	-134.5	-8.2	-169.6	74.6	0	0	0	0	115.7	V148 Y154 K155	V148-S152 WeakPolarHBondContact CG1-OG 3.14Å; V148-S152 PolarHBondContact O-N 3.47Å; V148-S152 PolarHBondContact O-OG 2.91Å; S152-Y154 PolarHBondContact O-N 3.31Å; S152-Y154 PolarHBondContact OG-N 3.41Å; S152-K155 PolarHBondContact O-N 3.32Å; S152-K155 VanDerWaalsContact O-N 3.14Å
153	N	69.3	Low	74.9	Confident	103 Å²	103	60.1 Å²	60.1	55%	0.551	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.3	42.5	-172	-165.2	5.3	0	0	0	112.5	V148 N149 K155	V148-N153 PolarHBondContact O-N 2.89Å; N149-N153 WeakPolarHBondContact O-CA 3.28Å; N149-N153 PolarHBondContact O-N 2.66Å; N149-N153 VanDerWaalsContact O-N 3.09Å; N153-K155 PolarHBondContact O-N 3.11Å
154	Y	67.7	Low	74.7	Confident	21 Å²	21	59.4 Å²	59.4	8%	0.082	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.6	2.9	-177.4	-56.6	-88.6	0	0	0	117.4	Q123 K124 L145 V148 N149 S152 N156 L157	Q123-Y154 PolarHBondContact NE2-O 3.37Å; K124-Y154 HydrophobicContact CB-CE1 4.25Å; K124-Y154 HydrophobicContact CG-CE1 4.41Å; L145-Y154 HydrophobicContact CD2-CE1 4Å; L145-Y154 PolarHBondContact O-OH 3.06Å; V148-Y154 HydrophobicContact CG1-CD1 3.8Å; V148-Y154 HydrophobicContact CG1-CE1 4.11Å; V148-Y154 HydrophobicContact CG1-CG 4.36Å; N149-Y154 HydrophobicContact CB-CD2 4.35Å; N149-Y154 HydrophobicContact CB-CE2 3.59Å; N149-Y154 VanDerWaalsContact OD1-CE2 3.3Å; N149-Y154 WeakPolarHBondContact OD1-CE2 3.49Å; S152-Y154 PolarHBondContact O-N 3.31Å; S152-Y154 PolarHBondContact OG-N 3.41Å; Y154-N156 PolarHBondContact O-N 3.14Å; Y154-L157 HydrophobicContact CD1-CD2 4.01Å; Y154-L157 PolarHBondContact O-N 2.73Å
155	K	61.4	Low	74.6	Confident	170 Å²	170	60.5 Å²	60.5	74%	0.739	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-29.2	-176.9	-68.9	-173	176.1	-176.6	0	113.6	S152 N153	S152-K155 PolarHBondContact O-N 3.32Å; S152-K155 VanDerWaalsContact O-N 3.14Å; N153-K155 PolarHBondContact O-N 3.11Å
156	N	63.4	Low	74.5	Confident	117 Å²	117	60.7 Å²	60.7	63%	0.626	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116	29.8	-175.9	-60.9	8	0	0	0	111.5	Y154 N161	Y154-N156 PolarHBondContact O-N 3.14Å; N156-N161 VanDerWaalsContact O-CG 3.27Å; N156-N161 PolarHBondContact O-ND2 2.86Å; N156-N161 PolarHBondContact O-OD1 3.38Å; N156-N161 VanDerWaalsContact O-OD1 3.13Å
157	L	70.3	Confident	74.6	Confident	3 Å²	3	63.1 Å²	63.1	2%	0.016	31%	0.307	C	S	.	.			trans	-104	106.5	174	-173.8	75.3	0	0	0	109.6	M118 C127 F144 V148 Y154 L162 T165	M118-L157 WeakPolarHBondContact CB-O 3.36Å; M118-L157 HydrophobicContact SD-CD2 3.94Å; M118-L157 HydrophobicContact SD-CG 4.11Å; C127-L157 HydrophobicContact CB-CD2 4.15Å; F144-L157 HydrophobicContact CZ-CD1 4.33Å; V148-L157 HydrophobicContact CG1-CB 4.29Å; V148-L157 HydrophobicContact CG1-CD1 4.33Å; V148-L157 HydrophobicContact CG1-CD2 4.28Å; V148-L157 HydrophobicContact CG2-CD1 4.49Å; Y154-L157 HydrophobicContact CD1-CD2 4.01Å; Y154-L157 PolarHBondContact O-N 2.73Å; L157-L162 HydrophobicContact CD1-CD1 4.02Å; L157-T165 HydrophobicContact CD1-CG2 4.18Å
158	N	73.3	Confident	74.5	Confident	28 Å²	28	65.2 Å²	65.2	15%	0.15	32%	0.322	C	S	.	.			trans	-135	175.5	170.5	81.5	0.3	0	0	0	110.3	E160 N161 L162	N158-E160 VanDerWaalsContact C-N 3.31Å; N158-E160 PolarHBondContact ND2-OE2 2.97Å; N158-E160 PolarHBondContact O-N 2.9Å; N158-E160 WeakPolarHBondContact OD1-CB 3.39Å; N158-E160 PolarHBondContact OD1-N 3.42Å; N158-N161 PolarHBondContact N-OD1 2.69Å; N158-N161 PolarHBondContact O-OD1 2.66Å; N158-N161 VanDerWaalsContact O-OD1 3.09Å; N158-N161 PolarHBondContact OD1-N 2.93Å; N158-N161 PolarHBondContact OD1-ND2 3.33Å; N158-N161 PolarHBondContact OD1-OD1 3.07Å; N158-L162 VanDerWaalsContact O-CB 3.24Å; N158-L162 WeakPolarHBondContact O-CB 3.48Å; N158-L162 PolarHBondContact O-N 2.96Å
159	F	73.5	Confident	74.5	Confident	10 Å²	10	65.7 Å²	65.7	4%	0.044	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-24.9	-177.6	-78.5	-66.7	0	0	0	114.2	W86 L114 M118 I126 F130 L162 V208 M209 L212	W86-F159 HydrophobicContact CB-CE2 3.9Å; W86-F159 HydrophobicContact CB-CZ 3.62Å; W86-F159 HydrophobicContact CG-CE2 4.41Å; W86-F159 AromaticContact CG-CZ 3.88Å; W86-F159 HydrophobicContact CG-CZ 3.88Å; L114-F159 HydrophobicContact CD2-CD2 4.49Å; M118-F159 HydrophobicContact CE-CD1 3.69Å; M118-F159 HydrophobicContact CE-CD2 4.09Å; M118-F159 HydrophobicContact CE-CE1 3.53Å; M118-F159 HydrophobicContact CE-CE2 3.92Å; M118-F159 HydrophobicContact CE-CG 3.99Å; M118-F159 HydrophobicContact CE-CZ 3.64Å; M118-F159 HydrophobicContact CG-CE2 4.31Å; I126-F159 HydrophobicContact CG2-CE2 4.43Å; I126-F159 HydrophobicContact CG2-CZ 4.19Å; F130-F159 HydrophobicContact CB-CE1 4.43Å; F130-F159 AromaticContact CD1-CE1 3.98Å; F130-F159 HydrophobicContact CD1-CE1 3.98Å; F130-F159 HydrophobicContact CD2-CE1 4.07Å; F130-F159 HydrophobicContact CE1-CE1 4.2Å; F130-F159 HydrophobicContact CE2-CE1 4.29Å; F130-F159 AromaticContact CG-CE1 3.89Å; F130-F159 HydrophobicContact CG-CE1 3.89Å; F130-F159 HydrophobicContact CZ-CE1 4.33Å; F159-L162 HydrophobicContact CD1-CD2 3.95Å; F159-L162 HydrophobicContact CE1-CD2 4.26Å; F159-V208 HydrophobicContact CB-CG1 4.06Å; F159-V208 HydrophobicContact CD1-CG1 3.59Å; F159-V208 HydrophobicContact CE1-CG1 4.16Å; F159-V208 HydrophobicContact CG-CG1 3.91Å; F159-M209 WeakPolarHBondContact O-CE 3.31Å; F159-L212 HydrophobicContact CB-CD1 4.2Å; F159-L212 HydrophobicContact CB-CD2 4.34Å; F159-L212 WeakPolarHBondContact O-CD1 3.49Å
160	E	72.3	Confident	74.4	Confident	135 Å²	135	65.5 Å²	65.5	63%	0.631	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-50.7	178	-57.8	164.8	149.3	0	0	110.5	N158 L212	N158-E160 VanDerWaalsContact C-N 3.31Å; N158-E160 PolarHBondContact ND2-OE2 2.97Å; N158-E160 PolarHBondContact O-N 2.9Å; N158-E160 WeakPolarHBondContact OD1-CB 3.39Å; N158-E160 PolarHBondContact OD1-N 3.42Å; E160-L212 HydrophobicContact CG-CD2 3.78Å
161	N	76.1	Confident	74.5	Confident	41 Å²	41	62.6 Å²	62.6	22%	0.219	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-15	-176.7	66.8	32.2	0	0	0	114.1	N156 N158 R163 E164 T165	N156-N161 VanDerWaalsContact O-CG 3.27Å; N156-N161 PolarHBondContact O-ND2 2.86Å; N156-N161 PolarHBondContact O-OD1 3.38Å; N156-N161 VanDerWaalsContact O-OD1 3.13Å; N158-N161 PolarHBondContact N-OD1 2.69Å; N158-N161 PolarHBondContact O-OD1 2.66Å; N158-N161 VanDerWaalsContact O-OD1 3.09Å; N158-N161 PolarHBondContact OD1-N 2.93Å; N158-N161 PolarHBondContact OD1-ND2 3.33Å; N158-N161 PolarHBondContact OD1-OD1 3.07Å; N161-R163 PolarHBondContact O-N 3Å; N161-E164 WeakPolarHBondContact O-CA 3.46Å; N161-E164 PolarHBondContact O-N 3.01Å; N161-T165 PolarHBondContact O-N 2.89Å; N161-T165 PolarHBondContact O-OG1 3.03Å; N161-T165 VanDerWaalsContact O-OG1 3.06Å
162	L	77.1	Confident	74.4	Confident	0 Å²	0	61.8 Å²	61.8	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-48.5	-37.6	179	178.8	62	0	0	0	113.4	M118 F130 F144 L157 N158 F159 L166	M118-L162 HydrophobicContact CE-CD2 4.25Å; F130-L162 HydrophobicContact CD1-CD2 3.81Å; F130-L162 HydrophobicContact CE1-CD2 3.48Å; F130-L162 VanDerWaalsContact CE1-CD2 3.48Å; F130-L162 HydrophobicContact CZ-CD2 4.48Å; F144-L162 HydrophobicContact CE1-CD1 4.08Å; F144-L162 HydrophobicContact CZ-CD1 3.98Å; L157-L162 HydrophobicContact CD1-CD1 4.02Å; N158-L162 VanDerWaalsContact O-CB 3.24Å; N158-L162 WeakPolarHBondContact O-CB 3.48Å; N158-L162 PolarHBondContact O-N 2.96Å; F159-L162 HydrophobicContact CD1-CD2 3.95Å; F159-L162 HydrophobicContact CE1-CD2 4.26Å; L162-L166 HydrophobicContact CD1-CD1 4.02Å; L162-L166 HydrophobicContact CD1-CG 4.09Å; L162-L166 HydrophobicContact CG-CD1 3.96Å; L162-L166 HydrophobicContact CG-CG 4.47Å; L162-L166 VanDerWaalsContact O-CB 3.29Å; L162-L166 WeakPolarHBondContact O-CB 3.24Å; L162-L166 WeakPolarHBondContact O-CD1 3.34Å; L162-L166 WeakPolarHBondContact O-CG 3.48Å; L162-L166 PolarHBondContact O-N 3.25Å
163	R	77.8	Confident	74.4	Confident	63 Å²	63	62.2 Å²	62.2	24%	0.238	30%	0.297	C	S	.	.	H	α-helix	trans	-61.4	-44.6	176.1	-174.1	-170.3	-65.8	-117	11.8	111.8	N161 R167 E200 F205 M209	N161-R163 PolarHBondContact O-N 3Å; R163-R167 WeakPolarHBondContact O-CG 3.43Å; R163-R167 PolarHBondContact O-N 2.95Å; R163-R167 VanDerWaalsContact O-N 3.11Å; R163-E200 IonicContact CZ-OE1 3.53Å; R163-E200 IonicContact NE-OE1 3.61Å; R163-E200 IonicContact NH1-OE1 3.04Å; R163-E200 PolarHBondContact NH1-OE1 3.02Å; R163-F205 HydrophobicContact CB-CZ 4.38Å; R163-F205 HydrophobicContact CG-CZ 4.33Å; R163-M209 HydrophobicContact CB-CE 4.26Å; R163-M209 PolarHBondContact NE-SD 3.28Å; R163-M209 VanDerWaalsContact NE-SD 3.45Å; R163-M209 VanDerWaalsContact NH2-CG 3.31Å; R163-M209 PolarHBondContact NH2-SD 2.75Å
164	E	78	Confident	74	Confident	127 Å²	127	58.9 Å²	58.9	59%	0.593	29%	0.287	S	S	*	.	H	α-helix	trans	-75.2	-42.4	-179.5	-59	-172.8	157.4	0	0	111	N161 L166 R167 T168	N161-E164 WeakPolarHBondContact O-CA 3.46Å; N161-E164 PolarHBondContact O-N 3.01Å; E164-L166 VanDerWaalsContact C-N 3.29Å; E164-L166 PolarHBondContact O-N 3.38Å; E164-R167 WeakPolarHBondContact O-CB 3.31Å; E164-R167 PolarHBondContact O-N 3.39Å; E164-R167 VanDerWaalsContact O-N 3.09Å; E164-T168 PolarHBondContact O-N 3.21Å; E164-T168 PolarHBondContact O-OG1 3.28Å; E164-T168 VanDerWaalsContact O-OG1 3.12Å
165	T	80.1	Confident	73.5	Confident	25 Å²	25	66.5 Å²	66.5	15%	0.153	32%	0.316	C	S	.	.	H	α-helix	trans	-56.4	-42	173	-49.8	0	0	0	0	111.7	F144 W147 V148 L157 N161 F169	F144-T165 HydrophobicContact CE2-CG2 3.99Å; F144-T165 HydrophobicContact CZ-CG2 3.91Å; W147-T165 HydrophobicContact CH2-CG2 4.43Å; W147-T165 HydrophobicContact CZ3-CG2 3.79Å; V148-T165 HydrophobicContact CG2-CG2 4.02Å; L157-T165 HydrophobicContact CD1-CG2 4.18Å; N161-T165 PolarHBondContact O-N 2.89Å; N161-T165 PolarHBondContact O-OG1 3.03Å; N161-T165 VanDerWaalsContact O-OG1 3.06Å; T165-F169 WeakPolarHBondContact O-CB 3.49Å; T165-F169 PolarHBondContact O-N 3.38Å
166	L	79.4	Confident	73.1	Confident	9 Å²	9	64.3 Å²	64.3	5%	0.047	31%	0.307	C	S	.	.	H	α-helix	trans	-66	-43.1	173.5	-76.2	167	0	0	0	112.3	L131 F144 L162 E164 T168 F169 H170 L197 L199 F205	L131-L166 HydrophobicContact CD2-CD1 4.28Å; F144-L166 HydrophobicContact CD1-CD2 4.37Å; F144-L166 HydrophobicContact CD2-CD2 3.95Å; F144-L166 HydrophobicContact CE1-CD2 4.12Å; F144-L166 HydrophobicContact CE2-CD2 3.67Å; F144-L166 HydrophobicContact CE2-CG 4.16Å; F144-L166 HydrophobicContact CG-CD2 4.29Å; F144-L166 HydrophobicContact CZ-CD2 3.76Å; F144-L166 HydrophobicContact CZ-CG 4.04Å; L162-L166 HydrophobicContact CD1-CD1 4.02Å; L162-L166 HydrophobicContact CD1-CG 4.09Å; L162-L166 HydrophobicContact CG-CD1 3.96Å; L162-L166 HydrophobicContact CG-CG 4.47Å; L162-L166 VanDerWaalsContact O-CB 3.29Å; L162-L166 WeakPolarHBondContact O-CB 3.24Å; L162-L166 WeakPolarHBondContact O-CD1 3.34Å; L162-L166 WeakPolarHBondContact O-CG 3.48Å; L162-L166 PolarHBondContact O-N 3.25Å; E164-L166 VanDerWaalsContact C-N 3.29Å; E164-L166 PolarHBondContact O-N 3.38Å; L166-T168 PolarHBondContact O-N 2.89Å; L166-F169 PolarHBondContact O-N 2.88Å; L166-H170 PolarHBondContact O-N 2.58Å; L166-H170 VanDerWaalsContact O-N 3.07Å; L166-H170 PolarHBondContact O-ND1 3.16Å; L166-L197 HydrophobicContact CB-CD1 3.85Å; L166-L199 HydrophobicContact CD1-CD2 3.95Å; L166-F205 HydrophobicContact CD1-CE2 4.32Å
167	R	80.4	Confident	72.3	Confident	98 Å²	98	65.3 Å²	65.3	37%	0.37	31%	0.312	S	S	.	.	H	α-helix	trans	-60.1	-44.6	175.5	-73.7	172	-176.7	174.9	-1.7	111.6	R163 E164 H170 K171 L197 E200	R163-R167 WeakPolarHBondContact O-CG 3.43Å; R163-R167 PolarHBondContact O-N 2.95Å; R163-R167 VanDerWaalsContact O-N 3.11Å; E164-R167 WeakPolarHBondContact O-CB 3.31Å; E164-R167 PolarHBondContact O-N 3.39Å; E164-R167 VanDerWaalsContact O-N 3.09Å; R167-H170 PolarHBondContact O-N 3.28Å; R167-K171 PolarHBondContact O-N 3.46Å; R167-L197 HydrophobicContact CG-CD1 3.92Å; R167-L197 HydrophobicContact CG-CD2 4.47Å; R167-L197 HydrophobicContact CG-CG 4.11Å; R167-E200 IonicContact CZ-OE1 2.69Å; R167-E200 IonicContact NE-OE1 2.69Å; R167-E200 IonicContact NH2-OE1 3.53Å; R167-E200 PolarHBondContact NH2-OE1 3.46Å
168	T	81.3	Confident	71.1	Confident	65 Å²	65	72.9 Å²	72.9	40%	0.399	35%	0.347	S	S	.	.	H	α-helix	trans	-63.1	-44.9	177.8	-57.6	0	0	0	0	111.5	W147 E164 L166 H170 K171 E172	W147-T168 HydrophobicContact CH2-CG2 3.94Å; W147-T168 HydrophobicContact CZ2-CG2 3.94Å; E164-T168 PolarHBondContact O-N 3.21Å; E164-T168 PolarHBondContact O-OG1 3.28Å; E164-T168 VanDerWaalsContact O-OG1 3.12Å; L166-T168 PolarHBondContact O-N 2.89Å; T168-H170 VanDerWaalsContact C-N 3.34Å; T168-H170 PolarHBondContact O-N 3.2Å; T168-K171 PolarHBondContact O-N 2.71Å; T168-E172 WeakPolarHBondContact O-CB 3.42Å; T168-E172 PolarHBondContact O-N 3.32Å
169	F	82.8	Confident	69.6	Low	11 Å²	11	79.9 Å²	79.9	5%	0.048	38%	0.376	C	S	.	.	H	α-helix	trans	-56.2	-44.6	174	173.1	-106.5	0	0	0	112.6	V140 K143 F144 W147 T165 L166 E172 T173	V140-F169 HydrophobicContact CG1-CE1 4.45Å; K143-F169 HydrophobicContact CB-CZ 4.06Å; F144-F169 HydrophobicContact CB-CD1 4.41Å; F144-F169 HydrophobicContact CB-CE1 4.09Å; F144-F169 HydrophobicContact CB-CE2 4.32Å; F144-F169 HydrophobicContact CB-CZ 4.04Å; F144-F169 HydrophobicContact CD2-CB 3.85Å; F144-F169 AromaticContact CD2-CD1 3.83Å; F144-F169 HydrophobicContact CD2-CD1 3.83Å; F144-F169 HydrophobicContact CD2-CD2 4.02Å; F144-F169 HydrophobicContact CD2-CE1 4.35Å; F144-F169 AromaticContact CD2-CG 3.63Å; F144-F169 HydrophobicContact CD2-CG 3.63Å; F144-F169 HydrophobicContact CE2-CB 4.05Å; F144-F169 HydrophobicContact CE2-CG 4.34Å; W147-F169 HydrophobicContact CB-CD2 3.89Å; W147-F169 HydrophobicContact CB-CE2 3.93Å; W147-F169 HydrophobicContact CD2-CB 4.31Å; W147-F169 AromaticContact CD2-CD2 3.69Å; W147-F169 HydrophobicContact CD2-CD2 3.69Å; W147-F169 HydrophobicContact CD2-CG 4.48Å; W147-F169 HydrophobicContact CE3-CB 3.89Å; W147-F169 AromaticContact CE3-CD2 3.8Å; W147-F169 HydrophobicContact CE3-CD2 3.8Å; W147-F169 HydrophobicContact CE3-CG 4.26Å; W147-F169 AromaticContact CG-CD2 3.74Å; W147-F169 HydrophobicContact CG-CD2 3.74Å; W147-F169 HydrophobicContact CG-CE2 4.22Å; W147-F169 HydrophobicContact CH2-CB 4.19Å; W147-F169 HydrophobicContact CZ3-CB 3.83Å; T165-F169 WeakPolarHBondContact O-CB 3.49Å; T165-F169 PolarHBondContact O-N 3.38Å; L166-F169 PolarHBondContact O-N 2.88Å; F169-E172 PolarHBondContact O-N 3.02Å; F169-T173 HydrophobicContact CD2-CG2 4.03Å; F169-T173 HydrophobicContact CE1-CG2 4.41Å; F169-T173 HydrophobicContact CE2-CG2 3.64Å; F169-T173 HydrophobicContact CZ-CG2 3.85Å; F169-T173 WeakPolarHBondContact O-CB 3.31Å; F169-T173 PolarHBondContact O-N 2.86Å; F169-T173 PolarHBondContact O-OG1 3.41Å
170	H	77.1	Confident	67.9	Low	74 Å²	74	87.5 Å²	87.5	34%	0.343	41%	0.412	S	S	.	.	H	α-helix	trans	-68.3	-42.1	177.8	-71.6	81.3	0	0	0	111.9	L166 R167 T168 E172 T173 G174	L166-H170 PolarHBondContact O-N 2.58Å; L166-H170 VanDerWaalsContact O-N 3.07Å; L166-H170 PolarHBondContact O-ND1 3.16Å; R167-H170 PolarHBondContact O-N 3.28Å; T168-H170 VanDerWaalsContact C-N 3.34Å; T168-H170 PolarHBondContact O-N 3.2Å; H170-E172 VanDerWaalsContact C-N 3.31Å; H170-E172 PolarHBondContact O-N 2.86Å; H170-T173 WeakPolarHBondContact CA-OG1 3.41Å; H170-T173 PolarHBondContact O-OG1 3.43Å; H170-G174 PolarHBondContact O-N 2.97Å
171	K	78.1	Confident	66.5	Low	92 Å²	92	87.5 Å²	87.5	40%	0.4	42%	0.424	S	S	.	.	H	α-helix	trans	-60.5	-36.6	173.3	-76.5	-170	175.8	-176.5	0	112.2	R167 T168 R175 D192	R167-K171 PolarHBondContact O-N 3.46Å; T168-K171 PolarHBondContact O-N 2.71Å; K171-R175 WeakPolarHBondContact O-CB 3.39Å; K171-R175 WeakPolarHBondContact O-CD 3.34Å; K171-R175 WeakPolarHBondContact O-CG 3.46Å; K171-R175 PolarHBondContact O-N 3.03Å; K171-D192 IonicContact NZ-OD1 2.61Å; K171-D192 PolarHBondContact NZ-OD1 2.75Å
172	E	75.1	Confident	64.4	Low	72 Å²	72	90.2 Å²	90.2	34%	0.336	45%	0.452	S	S	.	.	H	α-helix	trans	-79	-39.1	178.9	-79.9	-171.1	-150.1	0	0	114.5	W147 T168 F169 H170 R175 K176	W147-E172 PolarHBondContact NE1-OE2 3Å; T168-E172 WeakPolarHBondContact O-CB 3.42Å; T168-E172 PolarHBondContact O-N 3.32Å; F169-E172 PolarHBondContact O-N 3.02Å; H170-E172 VanDerWaalsContact C-N 3.31Å; H170-E172 PolarHBondContact O-N 2.86Å; E172-R175 PolarHBondContact O-N 3.22Å; E172-K176 PolarHBondContact O-N 3.25Å
173	T	68.3	Low	62.8	Low	42 Å²	42	99 Å²	99	26%	0.258	49%	0.493	S	S	.	.	H	α-helix	trans	-70.7	-44.7	179	44.6	0	0	0	0	111.6	F169 H170 R175 K176 D177	F169-T173 HydrophobicContact CD2-CG2 4.03Å; F169-T173 HydrophobicContact CE1-CG2 4.41Å; F169-T173 HydrophobicContact CE2-CG2 3.64Å; F169-T173 HydrophobicContact CZ-CG2 3.85Å; F169-T173 WeakPolarHBondContact O-CB 3.31Å; F169-T173 PolarHBondContact O-N 2.86Å; F169-T173 PolarHBondContact O-OG1 3.41Å; H170-T173 WeakPolarHBondContact CA-OG1 3.41Å; H170-T173 PolarHBondContact O-OG1 3.43Å; T173-R175 VanDerWaalsContact C-N 3.25Å; T173-R175 PolarHBondContact O-N 2.98Å; T173-K176 WeakPolarHBondContact O-CA 3.4Å; T173-K176 WeakPolarHBondContact O-CB 3.46Å; T173-K176 PolarHBondContact O-N 3.09Å; T173-D177 PolarHBondContact O-N 3.2Å
174	G	60.4	Low	60.7	Low	33 Å²	33	103.8 Å²	103.8	34%	0.34	52%	0.523	S	S	.	.	H	α-helix	trans	-57.9	-36.5	172.5	0	0	0	0	0	113.2	H170 K176 D177 Q178	H170-G174 PolarHBondContact O-N 2.97Å; G174-K176 VanDerWaalsContact C-N 3.27Å; G174-K176 PolarHBondContact O-N 2.74Å; G174-D177 PolarHBondContact O-N 3.37Å; G174-Q178 WeakPolarHBondContact O-CG 3.44Å; G174-Q178 PolarHBondContact O-N 3.5Å; G174-Q178 VanDerWaalsContact O-N 3.1Å
175	R	57.7	Low	59	Low	181 Å²	181	101.5 Å²	101.5	68%	0.683	53%	0.534	S	S	*	.	H	α-helix	trans	-71.7	-12.2	173.3	-78.7	177.5	172.6	-172.4	-2	114.7	K171 E172 T173	K171-R175 WeakPolarHBondContact O-CB 3.39Å; K171-R175 WeakPolarHBondContact O-CD 3.34Å; K171-R175 WeakPolarHBondContact O-CG 3.46Å; K171-R175 PolarHBondContact O-N 3.03Å; E172-R175 PolarHBondContact O-N 3.22Å; T173-R175 VanDerWaalsContact C-N 3.25Å; T173-R175 PolarHBondContact O-N 2.98Å
176	K	52.2	Low	56.7	Low	125 Å²	125	108.9 Å²	108.9	54%	0.543	57%	0.566	S	S	.	*	H	α-helix	trans	-89.6	-42.5	170.3	-73.7	173.9	-179.7	173	0	110.7	E172 T173 G174 Q178 K179	E172-K176 PolarHBondContact O-N 3.25Å; T173-K176 WeakPolarHBondContact O-CA 3.4Å; T173-K176 WeakPolarHBondContact O-CB 3.46Å; T173-K176 PolarHBondContact O-N 3.09Å; G174-K176 VanDerWaalsContact C-N 3.27Å; G174-K176 PolarHBondContact O-N 2.74Å; K176-Q178 VanDerWaalsContact C-N 3.31Å; K176-Q178 PolarHBondContact O-N 2.87Å; K176-K179 WeakPolarHBondContact O-CB 3.41Å; K176-K179 PolarHBondContact O-N 3.47Å; K176-K179 VanDerWaalsContact O-N 3.09Å
177	D	46.7	Very low	54.7	Low	138 Å²	138	117.4 Å²	117.4	74%	0.738	61%	0.606	S	S	*	*	H	α-helix	trans	-68.5	-28.5	179.9	-63.9	-30.9	0	0	0	112.7	T173 G174 K179	T173-D177 PolarHBondContact O-N 3.2Å; G174-D177 PolarHBondContact O-N 3.37Å; D177-K179 PolarHBondContact O-N 2.83Å
178	Q	45.3	Very low	52.4	Low	162 Å²	162	119.5 Å²	119.5	76%	0.757	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.2	-1.5	171	-75.3	-177.4	-17.8	0	0	114.9	G174 K176 Q180	G174-Q178 WeakPolarHBondContact O-CG 3.44Å; G174-Q178 PolarHBondContact O-N 3.5Å; G174-Q178 VanDerWaalsContact O-N 3.1Å; K176-Q178 VanDerWaalsContact C-N 3.31Å; K176-Q178 PolarHBondContact O-N 2.87Å; Q178-Q180 VanDerWaalsContact C-N 3.31Å; Q178-Q180 PolarHBondContact O-N 3.32Å; Q178-Q180 VanDerWaalsContact O-N 3.12Å
179	K	42.4	Very low	50.2	Low	175 Å²	175	124 Å²	124	76%	0.761	64%	0.641	S	S	*	*			trans	-88.5	61.2	178.8	-69	-170.3	176.7	-173.4	0	113.5	K176 D177	K176-K179 WeakPolarHBondContact O-CB 3.41Å; K176-K179 PolarHBondContact O-N 3.47Å; K176-K179 VanDerWaalsContact O-N 3.09Å; D177-K179 PolarHBondContact O-N 2.83Å
180	Q	37.6	Very low	47.8	Very low	169 Å²	169	131.4 Å²	131.4	79%	0.79	67%	0.673	S	S	*	*	S	Bend	trans	-117.2	145.3	152	-68.6	-161.6	9.1	0	0	110	Q178 A182	Q178-Q180 VanDerWaalsContact C-N 3.31Å; Q178-Q180 PolarHBondContact O-N 3.32Å; Q178-Q180 VanDerWaalsContact O-N 3.12Å; Q180-A182 PolarHBondContact O-N 2.92Å
181	P	43.7	Very low	45.7	Very low	136 Å²	136	133.2 Å²	133.2	88%	0.883	69%	0.691	S	S	*	*			trans	-83.3	116.2	-165.7	31.6	-34.4	0	0	0	112.9
182	A	32	Very low	43.7	Very low	98 Å²	98	135.2 Å²	135.2	81%	0.81	71%	0.707	S	S	*	*			trans	-129.9	137.9	162.6	0	0	0	0	0	109.8	Q180	Q180-A182 PolarHBondContact O-N 2.92Å
183	Q	43.1	Very low	42.1	Very low	183 Å²	183	138.6 Å²	138.6	86%	0.855	73%	0.727	S	S	*	*			trans	-86.5	117.5	179.9	-66.8	170.9	-34.7	0	0	110.3
184	N	34	Very low	40.9	Very low	165 Å²	165	145.6 Å²	145.6	88%	0.882	76%	0.757	S	S	*	*				177.6	149.4	123.8	-86.8	-30.8	0	0	0	110.2
185	G	41.4	Very low	40.2	Very low	79 Å²	79	150.8 Å²	150.8	81%	0.814	77%	0.774	S	S	*	*			trans	-90.4	118.9	-171.7	0	0	0	0	0	113.7
186	Q	32.5	Very low	39.9	Very low	179 Å²	179	146.5 Å²	146.5	84%	0.836	77%	0.772	S	S	*	*			trans	-149.7	116	151.7	-109.7	167.2	-8.8	0	0	108.3	E188	Q186-E188 PolarHBondContact O-N 2.9Å; Q186-E188 VanDerWaalsContact O-N 3.16Å
187	E	36.8	Very low	40.3	Very low	189 Å²	189	141.2 Å²	141.2	88%	0.883	75%	0.749	S	S	*	*			trans	-80.9	86.4	171	-71	-174.9	123.5	0	0	108.8	L189	E187-L189 PolarHBondContact O-N 3.49Å; E187-L189 VanDerWaalsContact O-N 3.16Å
188	E	33.1	Very low	41	Very low	142 Å²	142	140 Å²	140	66%	0.664	75%	0.749	S	S	*	*			trans	-70.5	107	168.6	-70	-164.4	135.6	0	0	109.8	Q186 F190	Q186-E188 PolarHBondContact O-N 2.9Å; Q186-E188 VanDerWaalsContact O-N 3.16Å; E188-F190 VanDerWaalsContact C-N 3.29Å; E188-F190 HydrophobicContact CB-CD2 4.3Å; E188-F190 HydrophobicContact CB-CE2 4.01Å; E188-F190 PolarHBondContact O-N 2.91Å
189	L	33.4	Very low	42.2	Very low	160 Å²	160	133.2 Å²	133.2	84%	0.838	72%	0.718	S	S	*	*			trans	-69.2	89	166.1	-80.6	84.1	0	0	0	109.2	E187	E187-L189 PolarHBondContact O-N 3.49Å; E187-L189 VanDerWaalsContact O-N 3.16Å
190	F	32	Very low	43.3	Very low	166 Å²	166	126.6 Å²	126.6	73%	0.728	69%	0.69	S	S	*	*			trans	-58.4	127.8	161.2	-76.5	-91	0	0	0	108.9	E188 D192	E188-F190 VanDerWaalsContact C-N 3.29Å; E188-F190 HydrophobicContact CB-CD2 4.3Å; E188-F190 HydrophobicContact CB-CE2 4.01Å; E188-F190 PolarHBondContact O-N 2.91Å; F190-D192 PolarHBondContact O-N 2.91Å
191	P	33.8	Very low	44.7	Very low	111 Å²	111	125.8 Å²	125.8	72%	0.721	69%	0.691	S	S	*	*			trans	-63.6	135.5	179.5	26	-33.6	0	0	0	110.2	N193	P191-N193 PolarHBondContact O-N 2.82Å
192	D	36.2	Very low	46.4	Very low	134 Å²	134	122.2 Å²	122.2	72%	0.717	66%	0.661	S	S	*	*	S	Bend	trans	-71.1	0.4	-167.9	-116.9	-43.4	0	0	0	115.3	K171 F190	K171-D192 IonicContact NZ-OD1 2.61Å; K171-D192 PolarHBondContact NZ-OD1 2.75Å; F190-D192 PolarHBondContact O-N 2.91Å
193	N	40.7	Very low	48.5	Very low	143 Å²	143	121.5 Å²	121.5	77%	0.765	64%	0.643	S	S	*	*	S	Bend	trans	-96.3	138.6	-178.7	-86.9	-14.2	0	0	0	112.8	P191	P191-N193 PolarHBondContact O-N 2.82Å
194	E	44.8	Very low	50.1	Low	189 Å²	189	113.8 Å²	113.8	88%	0.883	61%	0.609	S	S	*	*			trans	66.2	45.4	164.2	-53.8	-159	141	0	0	118.3	S196	E194-S196 VanDerWaalsContact C-N 3.29Å; E194-S196 PolarHBondContact O-N 2.78Å; E194-S196 VanDerWaalsContact O-N 3.08Å
195	M	44.1	Very low	52.2	Low	142 Å²	142	106 Å²	106	70%	0.7	57%	0.567	S	S	*	*			trans	-74.2	86.1	148.4	-162.8	179.5	-143.1	0	0	109.5	L197	M195-L197 PolarHBondContact O-N 2.96Å
196	S	51.2	Low	53.9	Low	92 Å²	92	106.5 Å²	106.5	64%	0.643	54%	0.544	S	S	*	.			trans	-62.9	127.1	177.3	60.4	0	0	0	0	111.1	E194 E200	E194-S196 VanDerWaalsContact C-N 3.29Å; E194-S196 PolarHBondContact O-N 2.78Å; E194-S196 VanDerWaalsContact O-N 3.08Å; S196-E200 WeakPolarHBondContact CA-OE2 3.32Å
197	L	61.8	Low	56.2	Low	13 Å²	13	98.4 Å²	98.4	7%	0.068	51%	0.507	C	S	.	.			trans	-73.9	135.3	175.6	-72.6	172.1	0	0	0	109.4	L166 R167 M195 L199 E200	L166-L197 HydrophobicContact CB-CD1 3.85Å; R167-L197 HydrophobicContact CG-CD1 3.92Å; R167-L197 HydrophobicContact CG-CD2 4.47Å; R167-L197 HydrophobicContact CG-CG 4.11Å; M195-L197 PolarHBondContact O-N 2.96Å; L197-L199 HydrophobicContact CB-CB 4.45Å; L197-L199 PolarHBondContact O-N 3.08Å; L197-E200 HydrophobicContact CB-CG 4.07Å; L197-E200 PolarHBondContact N-OE2 3.39Å; L197-E200 WeakPolarHBondContact O-CB 3.35Å; L197-E200 PolarHBondContact O-N 3.04Å
198	P	62	Low	58.4	Low	113 Å²	113	89.4 Å²	89.4	73%	0.734	47%	0.465	S	S	*	.	G	3₁₀ helix	trans	-54.8	-21.2	174	-27.5	35.5	0	0	0	114.1
199	L	68.9	Low	60.8	Low	19 Å²	19	83.3 Å²	83.3	10%	0.099	44%	0.436	C	S	.	.	G	3₁₀ helix	trans	-72.8	-25.2	176.5	-146.1	68	0	0	0	114.2	L131 C134 V136 L166 L197 N201 K202 F205	L131-L199 HydrophobicContact CD2-CD2 3.9Å; C134-L199 HydrophobicContact CB-CD1 3.5Å; C134-L199 HydrophobicContact CB-CD2 4.41Å; C134-L199 HydrophobicContact CB-CG 4.03Å; C134-L199 WeakPolarHBondContact O-CD1 3.47Å; V136-L199 HydrophobicContact CG2-CD1 3.41Å; V136-L199 VanDerWaalsContact CG2-CD1 3.41Å; V136-L199 HydrophobicContact CG2-CD2 4.37Å; L166-L199 HydrophobicContact CD1-CD2 3.95Å; L197-L199 HydrophobicContact CB-CB 4.45Å; L197-L199 PolarHBondContact O-N 3.08Å; L199-N201 PolarHBondContact O-N 3.14Å; L199-N201 VanDerWaalsContact O-N 3.13Å; L199-K202 HydrophobicContact CD1-CG 4.42Å; L199-K202 WeakPolarHBondContact O-CB 3.21Å; L199-K202 PolarHBondContact O-N 3.32Å; L199-F205 HydrophobicContact CB-CD2 4.41Å; L199-F205 HydrophobicContact CD2-CD2 3.56Å; L199-F205 HydrophobicContact CD2-CE2 3.86Å; L199-F205 HydrophobicContact CD2-CG 4.43Å; L199-F205 HydrophobicContact CG-CB 4.42Å; L199-F205 HydrophobicContact CG-CD2 3.85Å; L199-F205 HydrophobicContact CG-CE2 4.41Å; L199-F205 HydrophobicContact CG-CG 4.23Å; L199-F205 WeakPolarHBondContact O-CB 3.43Å
200	E	67.1	Low	62.9	Low	36 Å²	36	76.2 Å²	76.2	17%	0.168	40%	0.4	C	S	.	.	G	3₁₀ helix	trans	-65.7	-18.9	-172.6	-77.8	169.6	143	0	0	112.9	R163 R167 S196 L197 F205	R163-E200 IonicContact CZ-OE1 3.53Å; R163-E200 IonicContact NE-OE1 3.61Å; R163-E200 IonicContact NH1-OE1 3.04Å; R163-E200 PolarHBondContact NH1-OE1 3.02Å; R167-E200 IonicContact CZ-OE1 2.69Å; R167-E200 IonicContact NE-OE1 2.69Å; R167-E200 IonicContact NH2-OE1 3.53Å; R167-E200 PolarHBondContact NH2-OE1 3.46Å; S196-E200 WeakPolarHBondContact CA-OE2 3.32Å; L197-E200 HydrophobicContact CB-CG 4.07Å; L197-E200 PolarHBondContact N-OE2 3.39Å; L197-E200 WeakPolarHBondContact O-CB 3.35Å; L197-E200 PolarHBondContact O-N 3.04Å; E200-F205 HydrophobicContact CB-CE1 4.39Å; E200-F205 HydrophobicContact CG-CD1 4.37Å; E200-F205 HydrophobicContact CG-CE1 3.69Å; E200-F205 HydrophobicContact CG-CZ 4.27Å
201	N	65.7	Low	65.4	Low	152 Å²	152	68.7 Å²	68.7	81%	0.813	37%	0.368	S	S	*	.	G	3₁₀ helix	trans	-91.8	-5	175	-68.9	-23.4	0	0	0	114.4	L199	L199-N201 PolarHBondContact O-N 3.14Å; L199-N201 VanDerWaalsContact O-N 3.13Å
202	K	79.2	Confident	67.7	Low	62 Å²	62	66.2 Å²	66.2	27%	0.27	35%	0.349	S	S	.	.	S	Bend	trans	-80.7	138.4	-178.7	-66.1	-63.5	-167.1	178.7	0	111.4	C134 E135 L199 F205 R206	C134-K202 HydrophobicContact CB-CB 4.41Å; E135-K202 WeakPolarHBondContact OE1-CE 3.49Å; E135-K202 IonicContact OE1-NZ 2.67Å; E135-K202 PolarHBondContact OE1-NZ 3.02Å; E135-K202 IonicContact OE2-NZ 2.63Å; E135-K202 PolarHBondContact OE2-NZ 3.41Å; L199-K202 HydrophobicContact CD1-CG 4.42Å; L199-K202 WeakPolarHBondContact O-CB 3.21Å; L199-K202 PolarHBondContact O-N 3.32Å; K202-F205 HydrophobicContact CB-CB 4.38Å; K202-F205 PolarHBondContact O-N 2.55Å; K202-R206 PolarHBondContact O-N 3.05Å
203	I	76.1	Confident	69.9	Low	82 Å²	82	65 Å²	65	42%	0.421	34%	0.338	S	S	.	.	H	α-helix	trans	-57.4	-50.6	-173.9	-65.3	173.3	0	0	0	112.5	F205 R206 N207 E234	I203-F205 VanDerWaalsContact C-N 3.28Å; I203-F205 PolarHBondContact O-N 2.79Å; I203-R206 PolarHBondContact O-N 2.83Å; I203-N207 WeakPolarHBondContact O-CB 3.13Å; I203-N207 PolarHBondContact O-N 2.9Å; I203-N207 PolarHBondContact O-OD1 2.97Å; I203-E234 HydrophobicContact CG2-CG 4.03Å; I203-E234 WeakPolarHBondContact CG2-OE1 3.25Å
204	P	76.4	Confident	72.1	Confident	21 Å²	21	59 Å²	59	14%	0.136	31%	0.306	C	S	.	.	H	α-helix	trans	-63.4	-35.6	-178.8	-20.2	33	0	0	0	112.4	W86 E133 N207 V208	W86-P204 HydrophobicContact CH2-CB 4.12Å; W86-P204 HydrophobicContact CZ2-CB 4.07Å; E133-P204 HydrophobicContact CG-CG 4.12Å; P204-N207 PolarHBondContact O-N 3.03Å; P204-V208 PolarHBondContact O-N 2.91Å; P204-V208 VanDerWaalsContact O-N 3.1Å
205	F	79.4	Confident	74.1	Confident	2 Å²	2	53.5 Å²	53.5	1%	0.009	29%	0.287	C	S	.	.	H	α-helix	trans	-64.3	-49.8	176.3	-170.8	-87.3	0	0	0	111.9	F130 R163 L166 L199 E200 K202 I203 N207 V208 M209	F130-F205 HydrophobicContact CE1-CD2 4.03Å; F130-F205 HydrophobicContact CZ-CB 4.36Å; F130-F205 AromaticContact CZ-CD2 3.84Å; F130-F205 HydrophobicContact CZ-CD2 3.84Å; F130-F205 HydrophobicContact CZ-CG 4.45Å; R163-F205 HydrophobicContact CB-CZ 4.38Å; R163-F205 HydrophobicContact CG-CZ 4.33Å; L166-F205 HydrophobicContact CD1-CE2 4.32Å; L199-F205 HydrophobicContact CB-CD2 4.41Å; L199-F205 HydrophobicContact CD2-CD2 3.56Å; L199-F205 HydrophobicContact CD2-CE2 3.86Å; L199-F205 HydrophobicContact CD2-CG 4.43Å; L199-F205 HydrophobicContact CG-CB 4.42Å; L199-F205 HydrophobicContact CG-CD2 3.85Å; L199-F205 HydrophobicContact CG-CE2 4.41Å; L199-F205 HydrophobicContact CG-CG 4.23Å; L199-F205 WeakPolarHBondContact O-CB 3.43Å; E200-F205 HydrophobicContact CB-CE1 4.39Å; E200-F205 HydrophobicContact CG-CD1 4.37Å; E200-F205 HydrophobicContact CG-CE1 3.69Å; E200-F205 HydrophobicContact CG-CZ 4.27Å; K202-F205 HydrophobicContact CB-CB 4.38Å; K202-F205 PolarHBondContact O-N 2.55Å; I203-F205 VanDerWaalsContact C-N 3.28Å; I203-F205 PolarHBondContact O-N 2.79Å; F205-N207 VanDerWaalsContact C-N 3.34Å; F205-N207 PolarHBondContact O-N 3.17Å; F205-V208 PolarHBondContact O-N 2.97Å; F205-M209 HydrophobicContact CD1-CG 3.9Å; F205-M209 HydrophobicContact CE1-CE 4.27Å; F205-M209 HydrophobicContact CE1-CG 3.6Å; F205-M209 HydrophobicContact CE1-SD 4.24Å; F205-M209 HydrophobicContact CE2-CE 4.15Å; F205-M209 HydrophobicContact CZ-CE 3.82Å; F205-M209 HydrophobicContact CZ-CG 4.13Å; F205-M209 HydrophobicContact CZ-SD 4.29Å; F205-M209 VanDerWaalsContact O-CG 3.22Å; F205-M209 WeakPolarHBondContact O-CG 3.33Å; F205-M209 PolarHBondContact O-N 2.89Å
206	R	77.4	Confident	76.1	Confident	89 Å²	89	50.6 Å²	50.6	34%	0.336	27%	0.27	S	S	.	.	H	α-helix	trans	-61.7	-42.7	175.4	-174.7	-176	55.6	-160.4	-18.6	111.1	K202 I203 V208 M209 T210 I233 E234	K202-R206 PolarHBondContact O-N 3.05Å; I203-R206 PolarHBondContact O-N 2.83Å; R206-V208 VanDerWaalsContact C-N 3.3Å; R206-V208 PolarHBondContact O-N 2.85Å; R206-M209 PolarHBondContact O-N 3.3Å; R206-M209 VanDerWaalsContact O-N 3.09Å; R206-T210 WeakPolarHBondContact O-CB 3.43Å; R206-T210 PolarHBondContact O-N 3.41Å; R206-T210 PolarHBondContact O-OG1 2.86Å; R206-I233 PolarHBondContact NE-O 3.34Å; R206-E234 VanDerWaalsContact CZ-C 3.48Å; R206-E234 PolarHBondContact NH1-O 2.97Å; R206-E234 VanDerWaalsContact NH2-C 3.3Å; R206-E234 VanDerWaalsContact NH2-CA 3.27Å; R206-E234 PolarHBondContact NH2-O 2.85Å
207	N	80.1	Confident	77.9	Confident	9 Å²	9	46.2 Å²	46.2	5%	0.048	24%	0.239	C	C	.	.	H	α-helix	trans	-60.1	-38.9	-178.6	-65.8	6.4	0	0	0	112	I203 P204 F205 A211 I233	I203-N207 WeakPolarHBondContact O-CB 3.13Å; I203-N207 PolarHBondContact O-N 2.9Å; I203-N207 PolarHBondContact O-OD1 2.97Å; P204-N207 PolarHBondContact O-N 3.03Å; F205-N207 VanDerWaalsContact C-N 3.34Å; F205-N207 PolarHBondContact O-N 3.17Å; N207-A211 WeakPolarHBondContact O-CB 3.49Å; N207-A211 PolarHBondContact O-N 3.26Å; N207-A211 VanDerWaalsContact O-N 3.1Å; N207-I233 HydrophobicContact CB-CG2 3.92Å; N207-I233 WeakPolarHBondContact OD1-CG2 3.45Å
208	V	82.2	Confident	79.1	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-68.8	-43.9	172.4	169	0	0	0	0	112.1	W86 W87 L114 F130 F159 P204 F205 R206 T210 A211 L212	W86-V208 HydrophobicContact CZ2-CG2 4.46Å; W87-V208 HydrophobicContact CH2-CG2 4.21Å; W87-V208 HydrophobicContact CZ2-CG2 4.01Å; L114-V208 HydrophobicContact CD1-CG1 4.39Å; L114-V208 HydrophobicContact CD2-CB 4.47Å; L114-V208 HydrophobicContact CD2-CG1 4.05Å; L114-V208 HydrophobicContact CD2-CG2 4.08Å; F130-V208 HydrophobicContact CD2-CG2 4.2Å; F130-V208 HydrophobicContact CE2-CB 4.02Å; F130-V208 HydrophobicContact CE2-CG2 3.51Å; F130-V208 HydrophobicContact CZ-CB 4.25Å; F130-V208 HydrophobicContact CZ-CG2 4.22Å; F159-V208 HydrophobicContact CB-CG1 4.06Å; F159-V208 HydrophobicContact CD1-CG1 3.59Å; F159-V208 HydrophobicContact CE1-CG1 4.16Å; F159-V208 HydrophobicContact CG-CG1 3.91Å; P204-V208 PolarHBondContact O-N 2.91Å; P204-V208 VanDerWaalsContact O-N 3.1Å; F205-V208 PolarHBondContact O-N 2.97Å; R206-V208 VanDerWaalsContact C-N 3.3Å; R206-V208 PolarHBondContact O-N 2.85Å; V208-T210 VanDerWaalsContact C-N 3.32Å; V208-T210 PolarHBondContact O-N 3.18Å; V208-A211 WeakPolarHBondContact O-CB 3.08Å; V208-A211 PolarHBondContact O-N 3.01Å; V208-A211 VanDerWaalsContact O-N 3.14Å; V208-L212 HydrophobicContact CG1-CD1 4.49Å; V208-L212 WeakPolarHBondContact O-CG 3.18Å; V208-L212 PolarHBondContact O-N 3.14Å
209	M	83.3	Confident	80.4	Confident	14 Å²	14	42.6 Å²	42.6	7%	0.069	21%	0.212	C	C	.	.	H	α-helix	trans	-64.9	-35.2	179.2	-67.5	-73.9	140.9	0	0	112.6	F159 R163 F205 R206 L212 Q213	F159-M209 WeakPolarHBondContact O-CE 3.31Å; R163-M209 HydrophobicContact CB-CE 4.26Å; R163-M209 PolarHBondContact NE-SD 3.28Å; R163-M209 VanDerWaalsContact NE-SD 3.45Å; R163-M209 VanDerWaalsContact NH2-CG 3.31Å; R163-M209 PolarHBondContact NH2-SD 2.75Å; F205-M209 HydrophobicContact CD1-CG 3.9Å; F205-M209 HydrophobicContact CE1-CE 4.27Å; F205-M209 HydrophobicContact CE1-CG 3.6Å; F205-M209 HydrophobicContact CE1-SD 4.24Å; F205-M209 HydrophobicContact CE2-CE 4.15Å; F205-M209 HydrophobicContact CZ-CE 3.82Å; F205-M209 HydrophobicContact CZ-CG 4.13Å; F205-M209 HydrophobicContact CZ-SD 4.29Å; F205-M209 VanDerWaalsContact O-CG 3.22Å; F205-M209 WeakPolarHBondContact O-CG 3.33Å; F205-M209 PolarHBondContact O-N 2.89Å; R206-M209 PolarHBondContact O-N 3.3Å; R206-M209 VanDerWaalsContact O-N 3.09Å; M209-L212 HydrophobicContact CE-CD1 4.21Å; M209-L212 HydrophobicContact SD-CD1 4.27Å; M209-Q213 WeakPolarHBondContact O-CG 3.26Å; M209-Q213 PolarHBondContact O-N 3.02Å
210	T	79.4	Confident	81.4	Confident	11 Å²	11	42.3 Å²	42.3	7%	0.067	21%	0.21	C	C	.	.	H	α-helix	trans	-65.2	-43.1	170.8	-59.4	0	0	0	0	110.9	R206 V208 L212 Q213 F214 I233 L241	R206-T210 WeakPolarHBondContact O-CB 3.43Å; R206-T210 PolarHBondContact O-N 3.41Å; R206-T210 PolarHBondContact O-OG1 2.86Å; V208-T210 VanDerWaalsContact C-N 3.32Å; V208-T210 PolarHBondContact O-N 3.18Å; T210-L212 VanDerWaalsContact C-N 3.3Å; T210-L212 PolarHBondContact O-N 3.29Å; T210-Q213 PolarHBondContact O-N 3.01Å; T210-Q213 VanDerWaalsContact O-N 3.1Å; T210-F214 HydrophobicContact CG2-CD2 3.86Å; T210-F214 WeakPolarHBondContact O-CD2 3.34Å; T210-F214 PolarHBondContact O-N 3.42Å; T210-I233 HydrophobicContact CG2-CG1 4.3Å; T210-I233 HydrophobicContact CG2-CG2 4.11Å; T210-L241 HydrophobicContact CG2-CD1 4Å
211	A	82.9	Confident	82.4	Confident	8 Å²	8	40.6 Å²	40.6	7%	0.066	20%	0.202	C	C	.	.	H	α-helix	trans	-65.1	-29.3	179.1	0	0	0	0	0	114.3	W87 L114 N207 V208 M218	W87-A211 HydrophobicContact CH2-CB 3.58Å; W87-A211 HydrophobicContact CZ3-CB 3.67Å; L114-A211 HydrophobicContact CD1-CB 3.95Å; L114-A211 HydrophobicContact CD2-CB 4.45Å; L114-A211 HydrophobicContact CG-CB 4.06Å; N207-A211 WeakPolarHBondContact O-CB 3.49Å; N207-A211 PolarHBondContact O-N 3.26Å; N207-A211 VanDerWaalsContact O-N 3.1Å; V208-A211 WeakPolarHBondContact O-CB 3.08Å; V208-A211 PolarHBondContact O-N 3.01Å; V208-A211 VanDerWaalsContact O-N 3.14Å; A211-M218 HydrophobicContact CB-CE 4.03Å; A211-M218 HydrophobicContact CB-CG 3.54Å; A211-M218 HydrophobicContact CB-SD 3.8Å
212	L	82.6	Confident	83.4	Confident	59 Å²	59	33.3 Å²	33.3	31%	0.309	16%	0.164	S	C	.	.	H	α-helix	trans	-71.4	-34.4	171.2	-68.5	169.4	0	0	0	112.5	L114 F159 E160 V208 M209 T210	L114-L212 HydrophobicContact CD1-CD2 3.44Å; L114-L212 VanDerWaalsContact CD1-CD2 3.44Å; L114-L212 HydrophobicContact CD1-CG 3.65Å; F159-L212 HydrophobicContact CB-CD1 4.2Å; F159-L212 HydrophobicContact CB-CD2 4.34Å; F159-L212 WeakPolarHBondContact O-CD1 3.49Å; E160-L212 HydrophobicContact CG-CD2 3.78Å; V208-L212 HydrophobicContact CG1-CD1 4.49Å; V208-L212 WeakPolarHBondContact O-CG 3.18Å; V208-L212 PolarHBondContact O-N 3.14Å; M209-L212 HydrophobicContact CE-CD1 4.21Å; M209-L212 HydrophobicContact SD-CD1 4.27Å; T210-L212 VanDerWaalsContact C-N 3.3Å; T210-L212 PolarHBondContact O-N 3.29Å
213	Q	82.7	Confident	83.7	Confident	108 Å²	108	30.9 Å²	30.9	51%	0.505	15%	0.154	S	C	.	.	H	α-helix	trans	-85.6	-29.1	-177	-69.8	-176.9	-16.8	0	0	113.1	M209 T210	M209-Q213 WeakPolarHBondContact O-CG 3.26Å; M209-Q213 PolarHBondContact O-N 3.02Å; T210-Q213 PolarHBondContact O-N 3.01Å; T210-Q213 VanDerWaalsContact O-N 3.1Å
214	F	87.6	Confident	84.1	Confident	18 Å²	18	27.3 Å²	27.3	8%	0.079	14%	0.135	C	C	.	.			trans	-135.8	73	-172.8	-48.3	-70.1	0	0	0	111.2	T210 I217 M218 L241 K242 E245	T210-F214 HydrophobicContact CG2-CD2 3.86Å; T210-F214 WeakPolarHBondContact O-CD2 3.34Å; T210-F214 PolarHBondContact O-N 3.42Å; F214-I217 HydrophobicContact CB-CB 4.04Å; F214-I217 HydrophobicContact CB-CD1 3.99Å; F214-I217 HydrophobicContact CB-CG1 4.26Å; F214-I217 HydrophobicContact CG-CD1 4.44Å; F214-I217 WeakPolarHBondContact O-CB 3.35Å; F214-I217 PolarHBondContact O-N 3.05Å; F214-M218 PolarHBondContact O-N 3.06Å; F214-L241 HydrophobicContact CD1-CB 4.46Å; F214-L241 HydrophobicContact CD2-CB 3.96Å; F214-L241 HydrophobicContact CD2-CD1 4.47Å; F214-L241 HydrophobicContact CE1-CB 4.35Å; F214-L241 HydrophobicContact CE2-CB 3.81Å; F214-L241 HydrophobicContact CE2-CD1 4.3Å; F214-L241 HydrophobicContact CG-CB 4.28Å; F214-L241 HydrophobicContact CZ-CB 4.01Å; F214-K242 HydrophobicContact CE1-CB 3.83Å; F214-K242 HydrophobicContact CE1-CG 4.43Å; F214-K242 HydrophobicContact CZ-CB 4.4Å; F214-E245 WeakPolarHBondContact CA-OE2 3.32Å; F214-E245 HydrophobicContact CB-CB 4.36Å; F214-E245 HydrophobicContact CB-CG 4.34Å; F214-E245 HydrophobicContact CD1-CB 3.83Å; F214-E245 HydrophobicContact CD1-CG 4.07Å
215	P	85.8	Confident	84.4	Confident	74 Å²	74	26.6 Å²	26.6	48%	0.481	13%	0.13	S	C	.	.	H	α-helix	trans	-68.9	-34.7	-174.7	26.3	-34.8	0	0	0	114	I217 M218 E219 E245	P215-I217 VanDerWaalsContact C-N 3.31Å; P215-I217 PolarHBondContact O-N 3.43Å; P215-M218 PolarHBondContact O-N 2.82Å; P215-M218 VanDerWaalsContact O-N 3.11Å; P215-E219 PolarHBondContact O-N 2.87Å; P215-E245 WeakPolarHBondContact CD-OE1 3.39Å
216	K	86.3	Confident	84.4	Confident	81 Å²	81	27.7 Å²	27.7	35%	0.352	14%	0.138	S	C	.	.	H	α-helix	trans	-69.2	-31.7	178.3	-60.8	169.2	-169.7	170.5	0	111.4	M218 E219 F220 E245 L248 G249	K216-M218 VanDerWaalsContact C-N 3.3Å; K216-M218 PolarHBondContact O-N 3.06Å; K216-E219 PolarHBondContact O-N 3.01Å; K216-F220 HydrophobicContact CB-CD2 3.88Å; K216-F220 HydrophobicContact CB-CE2 3.99Å; K216-F220 HydrophobicContact CG-CE2 4.15Å; K216-F220 VanDerWaalsContact O-CD2 3.27Å; K216-F220 WeakPolarHBondContact O-CD2 3.41Å; K216-F220 PolarHBondContact O-N 3.35Å; K216-E245 WeakPolarHBondContact CA-OE2 3.34Å; K216-E245 WeakPolarHBondContact CB-OE1 3.48Å; K216-E245 WeakPolarHBondContact CB-OE2 3.39Å; K216-E245 WeakPolarHBondContact CD-OE1 3.48Å; K216-E245 WeakPolarHBondContact CG-OE1 3.06Å; K216-E245 PolarHBondContact N-OE1 3.46Å; K216-E245 PolarHBondContact N-OE2 2.98Å; K216-L248 HydrophobicContact CB-CB 4.17Å; K216-L248 HydrophobicContact CB-CD1 4.2Å; K216-L248 HydrophobicContact CD-CB 4.44Å; K216-G249 VanDerWaalsContact NZ-CA 3.34Å
217	I	88.2	Confident	84.2	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-56.9	-45.2	168.6	-77.9	-176.6	0	0	0	110.5	F214 P215 L221 P222 L241 I244 E245 L248	F214-I217 HydrophobicContact CB-CB 4.04Å; F214-I217 HydrophobicContact CB-CD1 3.99Å; F214-I217 HydrophobicContact CB-CG1 4.26Å; F214-I217 HydrophobicContact CG-CD1 4.44Å; F214-I217 WeakPolarHBondContact O-CB 3.35Å; F214-I217 PolarHBondContact O-N 3.05Å; P215-I217 VanDerWaalsContact C-N 3.31Å; P215-I217 PolarHBondContact O-N 3.43Å; I217-L221 HydrophobicContact CG2-CB 4.27Å; I217-L221 HydrophobicContact CG2-CD2 3.82Å; I217-L221 WeakPolarHBondContact O-CB 3.37Å; I217-L221 PolarHBondContact O-N 3.04Å; I217-L221 VanDerWaalsContact O-N 3.12Å; I217-P222 WeakPolarHBondContact O-CD 3.33Å; I217-L241 HydrophobicContact CD1-CB 4.11Å; I217-L241 HydrophobicContact CD1-CD2 3.69Å; I217-L241 VanDerWaalsContact CD1-O 3.28Å; I217-L241 WeakPolarHBondContact CD1-O 3.46Å; I217-I244 HydrophobicContact CD1-CB 4.01Å; I217-I244 HydrophobicContact CD1-CG2 3.84Å; I217-I244 HydrophobicContact CG1-CG2 3.89Å; I217-E245 HydrophobicContact CD1-CB 4.41Å; I217-E245 HydrophobicContact CG1-CB 4.47Å; I217-E245 PolarHBondContact N-OE2 3.17Å; I217-L248 HydrophobicContact CG1-CD1 3.91Å
218	M	88.7	Confident	84.1	Confident	4 Å²	4	27.1 Å²	27.1	2%	0.02	14%	0.135	C	C	.	.	H	α-helix	trans	-68.6	-35.6	178.9	-57.4	-58	-59.6	0	0	113	I82 W87 Y112 A211 F214 P215 K216 P222 F229 I233	I82-M218 HydrophobicContact CD1-CE 4.15Å; W87-M218 HydrophobicContact CE3-CE 4.31Å; W87-M218 HydrophobicContact CH2-CE 3.71Å; W87-M218 HydrophobicContact CZ2-CE 4.49Å; W87-M218 HydrophobicContact CZ3-CE 3.59Å; Y112-M218 PolarHBondContact N-O 3.45Å; Y112-M218 CarbonylContact O-C 3.59Å; Y112-M218 VanDerWaalsContact O-C 3.24Å; Y112-M218 VanDerWaalsContact O-CB 3.27Å; Y112-M218 WeakPolarHBondContact O-CB 3.42Å; A211-M218 HydrophobicContact CB-CE 4.03Å; A211-M218 HydrophobicContact CB-CG 3.54Å; A211-M218 HydrophobicContact CB-SD 3.8Å; F214-M218 PolarHBondContact O-N 3.06Å; P215-M218 PolarHBondContact O-N 2.82Å; P215-M218 VanDerWaalsContact O-N 3.11Å; K216-M218 VanDerWaalsContact C-N 3.3Å; K216-M218 PolarHBondContact O-N 3.06Å; M218-P222 WeakPolarHBondContact O-CD 3.3Å; M218-P222 VanDerWaalsContact O-CG 3.32Å; M218-P222 WeakPolarHBondContact O-CG 3.19Å; M218-F229 HydrophobicContact CE-CZ 3.98Å; M218-F229 HydrophobicContact SD-CE2 4.37Å; M218-F229 HydrophobicContact SD-CZ 4.32Å; M218-I233 HydrophobicContact CE-CD1 4.08Å; M218-I233 HydrophobicContact SD-CD1 3.49Å; M218-I233 WeakPolarHBondContact SD-CD1 3.43Å; M218-I233 HydrophobicContact SD-CG1 4.41Å
219	E	88.8	Confident	84.2	Confident	45 Å²	45	27.1 Å²	27.1	21%	0.21	14%	0.135	C	C	.	.	H	α-helix	trans	-73.2	-50.2	179	-173.5	172.4	-173.7	0	0	112.7	S111 F113 P215 K216	S111-E219 WeakPolarHBondContact CA-O 3.37Å; S111-E219 WeakPolarHBondContact CB-O 3.33Å; S111-E219 PolarHBondContact OG-O 2.97Å; F113-E219 HydrophobicContact CE1-CB 4Å; F113-E219 HydrophobicContact CE1-CG 3.8Å; F113-E219 HydrophobicContact CZ-CB 4.27Å; F113-E219 HydrophobicContact CZ-CG 3.65Å; P215-E219 PolarHBondContact O-N 2.87Å; K216-E219 PolarHBondContact O-N 3.01Å
220	F	89.4	Confident	84	Confident	13 Å²	13	31.2 Å²	31.2	6%	0.057	15%	0.153	C	C	.	.	H	α-helix	trans	-105.2	-38	-166.5	-53.2	-61.1	0	0	0	114.6	K216 V223 L224 L248 C280 S282 L283	K216-F220 HydrophobicContact CB-CD2 3.88Å; K216-F220 HydrophobicContact CB-CE2 3.99Å; K216-F220 HydrophobicContact CG-CE2 4.15Å; K216-F220 VanDerWaalsContact O-CD2 3.27Å; K216-F220 WeakPolarHBondContact O-CD2 3.41Å; K216-F220 PolarHBondContact O-N 3.35Å; F220-V223 WeakPolarHBondContact O-CB 3.36Å; F220-V223 PolarHBondContact O-N 3.02Å; F220-L224 HydrophobicContact CB-CD1 4.13Å; F220-L224 HydrophobicContact CB-CG 4.45Å; F220-L224 WeakPolarHBondContact O-CG 3.32Å; F220-L224 PolarHBondContact O-N 3.22Å; F220-L248 HydrophobicContact CB-CD2 4.08Å; F220-L248 HydrophobicContact CD2-CD2 4.45Å; F220-C280 HydrophobicContact CD1-CB 3.93Å; F220-C280 HydrophobicContact CE1-CB 4.39Å; F220-S282 VanDerWaalsContact CE1-OG 3.26Å; F220-S282 WeakPolarHBondContact CE1-OG 3.44Å; F220-S282 WeakPolarHBondContact CZ-OG 3.41Å; F220-L283 HydrophobicContact CB-CD1 3.82Å; F220-L283 HydrophobicContact CD1-CD1 3.88Å; F220-L283 HydrophobicContact CD1-CG 3.98Å; F220-L283 HydrophobicContact CD2-CD1 4.09Å; F220-L283 HydrophobicContact CD2-CD2 3.9Å; F220-L283 HydrophobicContact CD2-CG 4.18Å; F220-L283 HydrophobicContact CE1-CG 4.14Å; F220-L283 HydrophobicContact CE2-CD2 3.9Å; F220-L283 HydrophobicContact CE2-CG 4.34Å; F220-L283 HydrophobicContact CG-CD1 3.64Å; F220-L283 HydrophobicContact CG-CD2 4.25Å; F220-L283 HydrophobicContact CG-CG 4.02Å; F220-L283 HydrophobicContact CZ-CD2 4.23Å; F220-L283 HydrophobicContact CZ-CG 4.33Å
221	L	87.8	Confident	84	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-59.8	-33.7	-175.6	-166.4	73	0	0	0	114.8	I217 V223 L225 F229 L232 I244	I217-L221 HydrophobicContact CG2-CB 4.27Å; I217-L221 HydrophobicContact CG2-CD2 3.82Å; I217-L221 WeakPolarHBondContact O-CB 3.37Å; I217-L221 PolarHBondContact O-N 3.04Å; I217-L221 VanDerWaalsContact O-N 3.12Å; L221-V223 VanDerWaalsContact C-N 3.25Å; L221-V223 PolarHBondContact O-N 2.93Å; L221-L225 HydrophobicContact CD1-CB 3.89Å; L221-L225 HydrophobicContact CD1-CD1 3.64Å; L221-L225 HydrophobicContact CD1-CG 4.25Å; L221-L225 HydrophobicContact CG-CB 4.45Å; L221-L225 CarbonylContact O-C 3.56Å; L221-L225 WeakPolarHBondContact O-CA 3.47Å; L221-L225 PolarHBondContact O-N 2.88Å; L221-F229 HydrophobicContact CB-CD2 3.92Å; L221-F229 HydrophobicContact CD2-CD2 4.03Å; L221-F229 HydrophobicContact CG-CD2 4.08Å; L221-L232 HydrophobicContact CD1-CD1 4.42Å; L221-L232 HydrophobicContact CD2-CB 4.16Å; L221-L232 HydrophobicContact CD2-CD1 3.69Å; L221-I244 HydrophobicContact CD1-CG2 4.44Å
222	P	87	Confident	84	Confident	0 Å²	0	34 Å²	34	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-71.5	-21.4	175.9	24.9	-26.8	0	0	0	112.6	F109 P110 Y112 I217 M218 P226 F229	F109-P222 WeakPolarHBondContact CB-O 3.17Å; P110-P222 WeakPolarHBondContact O-CG 3.5Å; Y112-P222 HydrophobicContact CD2-CB 4.34Å; Y112-P222 HydrophobicContact CD2-CG 4Å; I217-P222 WeakPolarHBondContact O-CD 3.33Å; M218-P222 WeakPolarHBondContact O-CD 3.3Å; M218-P222 VanDerWaalsContact O-CG 3.32Å; M218-P222 WeakPolarHBondContact O-CG 3.19Å; P222-P226 WeakPolarHBondContact O-CB 3.4Å; P222-F229 HydrophobicContact CB-CB 4.46Å; P222-F229 HydrophobicContact CB-CD1 3.87Å; P222-F229 HydrophobicContact CB-CD2 3.74Å; P222-F229 HydrophobicContact CB-CE1 3.95Å; P222-F229 HydrophobicContact CB-CE2 3.82Å; P222-F229 HydrophobicContact CB-CG 3.75Å; P222-F229 HydrophobicContact CB-CZ 3.92Å; P222-F229 VanDerWaalsContact CD-CE2 3.43Å; P222-F229 HydrophobicContact CG-CD2 3.99Å; P222-F229 HydrophobicContact CG-CE1 4.44Å; P222-F229 HydrophobicContact CG-CE2 3.67Å; P222-F229 HydrophobicContact CG-CG 4.49Å; P222-F229 HydrophobicContact CG-CZ 3.91Å
223	V	85.4	Confident	83.9	Confident	11 Å²	11	31.4 Å²	31.4	7%	0.067	15%	0.147	C	C	.	.	H	α-helix	trans	-84.7	-46.4	175	-175.6	0	0	0	0	110.8	F220 L221 Q279	F220-V223 WeakPolarHBondContact O-CB 3.36Å; F220-V223 PolarHBondContact O-N 3.02Å; L221-V223 VanDerWaalsContact C-N 3.25Å; L221-V223 PolarHBondContact O-N 2.93Å; V223-Q279 HydrophobicContact CG1-CB 3.86Å
224	L	84.4	Confident	83.7	Confident	6 Å²	6	28.3 Å²	28.3	3%	0.031	13%	0.132	C	C	.	.	H	α-helix	trans	-73.1	-43.7	-177.2	-63.4	-179.3	0	0	0	113.1	F220 L248 L255 A272 A276 F277 L283	F220-L224 HydrophobicContact CB-CD1 4.13Å; F220-L224 HydrophobicContact CB-CG 4.45Å; F220-L224 WeakPolarHBondContact O-CG 3.32Å; F220-L224 PolarHBondContact O-N 3.22Å; L224-L248 HydrophobicContact CD1-CD2 3.86Å; L224-L255 HydrophobicContact CD1-CD1 3.97Å; L224-A272 HydrophobicContact CB-CB 3.91Å; L224-A272 HydrophobicContact CD2-CB 4.14Å; L224-A272 HydrophobicContact CG-CB 4.45Å; L224-A276 HydrophobicContact CD2-CB 4.09Å; L224-F277 HydrophobicContact CD1-CD1 4.49Å; L224-F277 HydrophobicContact CD1-CE1 4.08Å; L224-F277 HydrophobicContact CD2-CD1 3.6Å; L224-F277 HydrophobicContact CD2-CE1 3.89Å; L224-F277 HydrophobicContact CD2-CG 4.13Å; L224-L283 HydrophobicContact CD1-CD1 3.74Å
225	L	83.5	Confident	83	Confident	6 Å²	6	30.8 Å²	30.8	3%	0.031	15%	0.151	C	C	.	.			trans	-137.3	55.9	-168.3	-65.4	170.1	0	0	0	111.7	L221 R227 H228 F229 L255 C270 A272	L221-L225 HydrophobicContact CD1-CB 3.89Å; L221-L225 HydrophobicContact CD1-CD1 3.64Å; L221-L225 HydrophobicContact CD1-CG 4.25Å; L221-L225 HydrophobicContact CG-CB 4.45Å; L221-L225 CarbonylContact O-C 3.56Å; L221-L225 WeakPolarHBondContact O-CA 3.47Å; L221-L225 PolarHBondContact O-N 2.88Å; L225-R227 PolarHBondContact O-N 3Å; L225-H228 PolarHBondContact O-N 2.98Å; L225-F229 PolarHBondContact O-N 2.98Å; L225-L255 HydrophobicContact CD1-CD2 3.85Å; L225-C270 VanDerWaalsContact CD1-SG 3.54Å; L225-C270 HydrophobicContact CD2-CB 4.33Å; L225-A272 HydrophobicContact CD2-CB 4.44Å
226	P	77.9	Confident	82.3	Confident	26 Å²	26	28.1 Å²	28.1	17%	0.169	14%	0.137	C	C	.	.	H	α-helix	trans	-58.3	-26.2	-171	21.6	-34.7	0	0	0	114.9	L57 F109 P222	L57-P226 HydrophobicContact CD2-CB 3.82Å; L57-P226 HydrophobicContact CD2-CG 4.18Å; F109-P226 HydrophobicContact CD1-CB 3.78Å; F109-P226 HydrophobicContact CD2-CB 3.62Å; F109-P226 HydrophobicContact CD2-CG 3.74Å; F109-P226 HydrophobicContact CE1-CB 3.71Å; F109-P226 HydrophobicContact CE2-CB 3.57Å; F109-P226 HydrophobicContact CE2-CG 3.53Å; F109-P226 HydrophobicContact CG-CB 3.75Å; F109-P226 HydrophobicContact CG-CG 4.36Å; F109-P226 HydrophobicContact CZ-CB 3.61Å; F109-P226 HydrophobicContact CZ-CG 3.98Å; P222-P226 WeakPolarHBondContact O-CB 3.4Å
227	R	74	Confident	82	Confident	80 Å²	80	26.8 Å²	26.8	30%	0.302	14%	0.138	S	C	.	.	H	α-helix	trans	-75.8	-31.6	178.1	-55.1	-179.5	-177.4	-129.3	5.7	112.7	E37 A54 G55 L57 L225	E37-R227 IonicContact OE2-CZ 3.49Å; E37-R227 IonicContact OE2-NE 3.27Å; E37-R227 PolarHBondContact OE2-NE 2.9Å; E37-R227 IonicContact OE2-NH2 2.73Å; E37-R227 PolarHBondContact OE2-NH2 3.23Å; A54-R227 HydrophobicContact CB-CB 3.84Å; G55-R227 WeakPolarHBondContact CA-O 3.18Å; G55-R227 PolarHBondContact N-O 3.47Å; L57-R227 HydrophobicContact CD1-CG 4.49Å; L57-R227 HydrophobicContact CD2-CB 4.29Å; L57-R227 HydrophobicContact CD2-CG 3.55Å; L57-R227 HydrophobicContact CG-CG 3.92Å; L225-R227 PolarHBondContact O-N 3Å
228	H	78.3	Confident	81.6	Confident	6 Å²	6	33.4 Å²	33.4	3%	0.028	17%	0.167	C	C	.	.	H	α-helix	trans	-95.8	-28.3	-177.1	-60.4	79.1	0	0	0	112.2	L225 K230 W231 L232 L268 C270	L225-H228 PolarHBondContact O-N 2.98Å; H228-K230 PolarHBondContact O-N 2.78Å; H228-W231 PolarHBondContact O-N 3.02Å; H228-W231 VanDerWaalsContact O-N 3.11Å; H228-L232 HydrophobicContact CB-CD1 3.96Å; H228-L232 PolarHBondContact O-N 2.92Å; H228-L268 PolarHBondContact CE1-O 3.1Å; H228-L268 PolarHBondContact NE2-O 3Å; H228-C270 VanDerWaalsContact CD2-SG 3.53Å; H228-C270 VanDerWaalsContact CE1-SG 3.58Å; H228-C270 PolarHBondContact ND1-SG 2.89Å
229	F	83.9	Confident	81.4	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-41.7	-55.3	-178.7	175.3	-104.5	0	0	0	114.5	P81 I82 Y112 M218 L221 P222 L225 W231 L232 I233	P81-F229 HydrophobicContact CB-CD1 3.65Å; P81-F229 HydrophobicContact CB-CE1 3.78Å; P81-F229 HydrophobicContact CG-CD1 4.02Å; P81-F229 HydrophobicContact CG-CE1 4.29Å; I82-F229 HydrophobicContact CD1-CE1 3.96Å; I82-F229 HydrophobicContact CD1-CZ 4.22Å; I82-F229 HydrophobicContact CG1-CE1 4.14Å; Y112-F229 HydrophobicContact CD2-CE1 4.42Å; Y112-F229 HydrophobicContact CD2-CZ 4.19Å; Y112-F229 HydrophobicContact CE2-CE1 4.43Å; M218-F229 HydrophobicContact CE-CZ 3.98Å; M218-F229 HydrophobicContact SD-CE2 4.37Å; M218-F229 HydrophobicContact SD-CZ 4.32Å; L221-F229 HydrophobicContact CB-CD2 3.92Å; L221-F229 HydrophobicContact CD2-CD2 4.03Å; L221-F229 HydrophobicContact CG-CD2 4.08Å; P222-F229 HydrophobicContact CB-CB 4.46Å; P222-F229 HydrophobicContact CB-CD1 3.87Å; P222-F229 HydrophobicContact CB-CD2 3.74Å; P222-F229 HydrophobicContact CB-CE1 3.95Å; P222-F229 HydrophobicContact CB-CE2 3.82Å; P222-F229 HydrophobicContact CB-CG 3.75Å; P222-F229 HydrophobicContact CB-CZ 3.92Å; P222-F229 VanDerWaalsContact CD-CE2 3.43Å; P222-F229 HydrophobicContact CG-CD2 3.99Å; P222-F229 HydrophobicContact CG-CE1 4.44Å; P222-F229 HydrophobicContact CG-CE2 3.67Å; P222-F229 HydrophobicContact CG-CG 4.49Å; P222-F229 HydrophobicContact CG-CZ 3.91Å; L225-F229 PolarHBondContact O-N 2.98Å; F229-W231 PolarHBondContact O-N 2.96Å; F229-L232 PolarHBondContact O-N 2.63Å; F229-I233 HydrophobicContact CD1-CD1 4.4Å; F229-I233 HydrophobicContact CD2-CD1 3.93Å; F229-I233 HydrophobicContact CE1-CD1 3.88Å; F229-I233 HydrophobicContact CE2-CD1 3.36Å; F229-I233 HydrophobicContact CG-CD1 4.43Å; F229-I233 HydrophobicContact CZ-CD1 3.34Å; F229-I233 PolarHBondContact O-N 3.29Å
230	K	79.9	Confident	81.2	Confident	100 Å²	100	38.1 Å²	38.1	44%	0.435	19%	0.19	S	C	.	.	H	α-helix	trans	-62.6	-46.6	-177.2	-177.5	168.5	-178.5	170.6	0	111.8	H228 L232 I233 E234	H228-K230 PolarHBondContact O-N 2.78Å; K230-L232 VanDerWaalsContact C-N 3.35Å; K230-L232 PolarHBondContact O-N 2.66Å; K230-I233 PolarHBondContact O-N 3.15Å; K230-E234 WeakPolarHBondContact CE-OE1 3.31Å; K230-E234 WeakPolarHBondContact CE-OE2 3.06Å; K230-E234 HydrophobicContact CG-CG 4.36Å; K230-E234 WeakPolarHBondContact CG-OE2 3.48Å; K230-E234 IonicContact NZ-OE1 3.95Å; K230-E234 VanDerWaalsContact O-CB 3.27Å; K230-E234 WeakPolarHBondContact O-CB 3.32Å; K230-E234 VanDerWaalsContact O-CG 3.32Å; K230-E234 WeakPolarHBondContact O-CG 3.42Å; K230-E234 PolarHBondContact O-N 3.06Å
231	W	79.8	Confident	81	Confident	78 Å²	78	37.8 Å²	37.8	30%	0.295	19%	0.188	S	C	.	.	H	α-helix	trans	-63.6	-39.6	176.7	-179.8	93.8	0	0	0	112	V52 H228 F229 I233 E234 S235 G236 M240	V52-W231 HydrophobicContact CB-CE3 4.47Å; V52-W231 HydrophobicContact CB-CH2 4.26Å; V52-W231 HydrophobicContact CB-CZ3 4.2Å; V52-W231 HydrophobicContact CG1-CD2 3.53Å; V52-W231 HydrophobicContact CG1-CE3 3.27Å; V52-W231 HydrophobicContact CG1-CG 4.34Å; V52-W231 HydrophobicContact CG1-CH2 3.79Å; V52-W231 HydrophobicContact CG1-CZ2 3.98Å; V52-W231 HydrophobicContact CG1-CZ3 3.42Å; V52-W231 VanDerWaalsContact CG1-CZ3 3.42Å; V52-W231 HydrophobicContact CG2-CE3 4.42Å; V52-W231 HydrophobicContact CG2-CH2 3.41Å; V52-W231 VanDerWaalsContact CG2-CH2 3.41Å; V52-W231 HydrophobicContact CG2-CZ2 3.89Å; V52-W231 HydrophobicContact CG2-CZ3 3.71Å; H228-W231 PolarHBondContact O-N 3.02Å; H228-W231 VanDerWaalsContact O-N 3.11Å; F229-W231 PolarHBondContact O-N 2.96Å; W231-I233 VanDerWaalsContact C-N 3.31Å; W231-I233 PolarHBondContact O-N 3.28Å; W231-E234 CarbonylContact O-C 3.38Å; W231-E234 PolarHBondContact O-N 3.21Å; W231-E234 VanDerWaalsContact O-N 3.12Å; W231-S235 WeakPolarHBondContact O-CA 3.27Å; W231-S235 WeakPolarHBondContact O-CB 3.46Å; W231-S235 PolarHBondContact O-N 3.38Å; W231-G236 PolarHBondContact O-N 3.36Å; W231-M240 HydrophobicContact CZ3-SD 4.33Å
232	L	81.5	Confident	81	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-60.5	-41	-179.1	-89	161.9	0	0	0	111.6	L221 H228 F229 K230 G236 M240 L241 I244 L267	L221-L232 HydrophobicContact CD1-CD1 4.42Å; L221-L232 HydrophobicContact CD2-CB 4.16Å; L221-L232 HydrophobicContact CD2-CD1 3.69Å; H228-L232 HydrophobicContact CB-CD1 3.96Å; H228-L232 PolarHBondContact O-N 2.92Å; F229-L232 PolarHBondContact O-N 2.63Å; K230-L232 VanDerWaalsContact C-N 3.35Å; K230-L232 PolarHBondContact O-N 2.66Å; L232-G236 VanDerWaalsContact O-CA 3.25Å; L232-G236 WeakPolarHBondContact O-CA 3.42Å; L232-G236 PolarHBondContact O-N 2.8Å; L232-M240 HydrophobicContact CD2-CG 4.36Å; L232-M240 HydrophobicContact CD2-SD 3.59Å; L232-M240 VanDerWaalsContact CD2-SD 3.59Å; L232-L241 HydrophobicContact CB-CD2 4.23Å; L232-L241 HydrophobicContact CD2-CD2 4.25Å; L232-I244 HydrophobicContact CD1-CD1 4.35Å; L232-I244 HydrophobicContact CD2-CD1 3.9Å; L232-L267 HydrophobicContact CD1-CD1 4.09Å; L232-L267 HydrophobicContact CD2-CD1 4.43Å; L232-L267 HydrophobicContact CD2-CD2 4.19Å
233	I	81.7	Confident	81	Confident	3 Å²	3	48.5 Å²	48.5	2%	0.015	24%	0.236	C	C	.	.	H	α-helix	trans	-76.3	-32.4	175.4	-61.5	167.7	0	0	0	111.7	I82 R206 N207 T210 M218 F229 K230 W231	I82-I233 HydrophobicContact CD1-CD1 4.44Å; R206-I233 PolarHBondContact NE-O 3.34Å; N207-I233 HydrophobicContact CB-CG2 3.92Å; N207-I233 WeakPolarHBondContact OD1-CG2 3.45Å; T210-I233 HydrophobicContact CG2-CG1 4.3Å; T210-I233 HydrophobicContact CG2-CG2 4.11Å; M218-I233 HydrophobicContact CE-CD1 4.08Å; M218-I233 HydrophobicContact SD-CD1 3.49Å; M218-I233 WeakPolarHBondContact SD-CD1 3.43Å; M218-I233 HydrophobicContact SD-CG1 4.41Å; F229-I233 HydrophobicContact CD1-CD1 4.4Å; F229-I233 HydrophobicContact CD2-CD1 3.93Å; F229-I233 HydrophobicContact CE1-CD1 3.88Å; F229-I233 HydrophobicContact CE2-CD1 3.36Å; F229-I233 HydrophobicContact CG-CD1 4.43Å; F229-I233 HydrophobicContact CZ-CD1 3.34Å; F229-I233 PolarHBondContact O-N 3.29Å; K230-I233 PolarHBondContact O-N 3.15Å; W231-I233 VanDerWaalsContact C-N 3.31Å; W231-I233 PolarHBondContact O-N 3.28Å
234	E	78.4	Confident	81.1	Confident	44 Å²	44	48 Å²	48	21%	0.206	23%	0.233	C	C	.	.	H	α-helix	trans	-91.1	-8.5	-175.7	-69.5	-177.4	166.1	0	0	115.5	I203 R206 K230 W231	I203-E234 HydrophobicContact CG2-CG 4.03Å; I203-E234 WeakPolarHBondContact CG2-OE1 3.25Å; R206-E234 VanDerWaalsContact CZ-C 3.48Å; R206-E234 PolarHBondContact NH1-O 2.97Å; R206-E234 VanDerWaalsContact NH2-C 3.3Å; R206-E234 VanDerWaalsContact NH2-CA 3.27Å; R206-E234 PolarHBondContact NH2-O 2.85Å; K230-E234 WeakPolarHBondContact CE-OE1 3.31Å; K230-E234 WeakPolarHBondContact CE-OE2 3.06Å; K230-E234 HydrophobicContact CG-CG 4.36Å; K230-E234 WeakPolarHBondContact CG-OE2 3.48Å; K230-E234 IonicContact NZ-OE1 3.95Å; K230-E234 VanDerWaalsContact O-CB 3.27Å; K230-E234 WeakPolarHBondContact O-CB 3.32Å; K230-E234 VanDerWaalsContact O-CG 3.32Å; K230-E234 WeakPolarHBondContact O-CG 3.42Å; K230-E234 PolarHBondContact O-N 3.06Å; W231-E234 CarbonylContact O-C 3.38Å; W231-E234 PolarHBondContact O-N 3.21Å; W231-E234 VanDerWaalsContact O-N 3.12Å
235	S	71.4	Confident	81.3	Confident	69 Å²	69	48.8 Å²	48.8	48%	0.483	24%	0.237	S	C	.	.	H	α-helix	trans	-161	-5.8	-173.4	-70.5	0	0	0	0	115	W231	W231-S235 WeakPolarHBondContact O-CA 3.27Å; W231-S235 WeakPolarHBondContact O-CB 3.46Å; W231-S235 PolarHBondContact O-N 3.38Å
236	G	72.5	Confident	81.6	Confident	18 Å²	18	54.2 Å²	54.2	19%	0.186	26%	0.262	C	S	.	.			trans	-65.7	147	173.3	0	0	0	0	0	112.2	W231 L232	W231-G236 PolarHBondContact O-N 3.36Å; L232-G236 VanDerWaalsContact O-CA 3.25Å; L232-G236 WeakPolarHBondContact O-CA 3.42Å; L232-G236 PolarHBondContact O-N 2.8Å
237	S	79.1	Confident	82.2	Confident	53 Å²	53	53.9 Å²	53.9	37%	0.371	26%	0.258	S	S	.	.			trans	-73.6	153.8	171.6	78.7	0	0	0	0	110.5	E239 M240 L241	S237-E239 WeakPolarHBondContact CB-OE2 3.42Å; S237-E239 PolarHBondContact O-N 2.87Å; S237-E239 PolarHBondContact OG-OE2 2.98Å; S237-M240 PolarHBondContact O-N 3.37Å; S237-M240 WeakPolarHBondContact OG-CB 3.24Å; S237-M240 PolarHBondContact OG-N 3.27Å; S237-L241 WeakPolarHBondContact O-CG 3.29Å; S237-L241 PolarHBondContact O-N 3.08Å
238	K	81.1	Confident	82.8	Confident	140 Å²	140	50 Å²	50	61%	0.609	24%	0.244	S	C	*	.	H	α-helix	trans	-64.4	-30.1	-178.9	-70.5	176.8	-179.3	168.6	0	111.5	K242	K238-K242 VanDerWaalsContact O-CB 3.31Å; K238-K242 WeakPolarHBondContact O-CB 3.34Å; K238-K242 PolarHBondContact O-N 3.48Å
239	E	83.2	Confident	83.2	Confident	119 Å²	119	50.8 Å²	50.8	56%	0.556	25%	0.253	S	S	*	.	H	α-helix	trans	-66.9	-51.4	178.6	-57.4	65.9	-140.3	0	0	109.6	S237 L241 K242 E243	S237-E239 WeakPolarHBondContact CB-OE2 3.42Å; S237-E239 PolarHBondContact O-N 2.87Å; S237-E239 PolarHBondContact OG-OE2 2.98Å; E239-L241 VanDerWaalsContact C-N 3.35Å; E239-L241 PolarHBondContact O-N 3.17Å; E239-K242 WeakPolarHBondContact O-CB 3.25Å; E239-K242 PolarHBondContact O-N 2.89Å; E239-E243 WeakPolarHBondContact O-CG 3.44Å; E239-E243 PolarHBondContact O-N 2.77Å
240	M	84.2	Confident	83.4	Confident	29 Å²	29	53.8 Å²	53.8	14%	0.143	27%	0.272	C	S	.	.	H	α-helix	trans	-60.1	-43	175.6	-179	-172.4	-65.7	0	0	111.8	W231 L232 S237 E243 I244 W265 L267	W231-M240 HydrophobicContact CZ3-SD 4.33Å; L232-M240 HydrophobicContact CD2-CG 4.36Å; L232-M240 HydrophobicContact CD2-SD 3.59Å; L232-M240 VanDerWaalsContact CD2-SD 3.59Å; S237-M240 PolarHBondContact O-N 3.37Å; S237-M240 WeakPolarHBondContact OG-CB 3.24Å; S237-M240 PolarHBondContact OG-N 3.27Å; M240-E243 PolarHBondContact O-N 2.76Å; M240-I244 HydrophobicContact CG-CD1 3.86Å; M240-I244 VanDerWaalsContact O-CG1 3.26Å; M240-I244 WeakPolarHBondContact O-CG1 3.32Å; M240-I244 PolarHBondContact O-N 2.92Å; M240-W265 HydrophobicContact CE-CB 4.47Å; M240-W265 VanDerWaalsContact CE-O 3.28Å; M240-W265 WeakPolarHBondContact CE-O 3.33Å; M240-W265 HydrophobicContact CG-CB 4.3Å; M240-W265 HydrophobicContact CG-CG 4.37Å; M240-L267 HydrophobicContact SD-CD2 4.01Å
241	L	85.9	Confident	83.9	Confident	5 Å²	5	53.2 Å²	53.2	3%	0.026	27%	0.271	C	S	.	.	H	α-helix	trans	-65.2	-39.3	177.7	-68.2	169.3	0	0	0	111.8	T210 F214 I217 L232 S237 E239 I244 E245	T210-L241 HydrophobicContact CG2-CD1 4Å; F214-L241 HydrophobicContact CD1-CB 4.46Å; F214-L241 HydrophobicContact CD2-CB 3.96Å; F214-L241 HydrophobicContact CD2-CD1 4.47Å; F214-L241 HydrophobicContact CE1-CB 4.35Å; F214-L241 HydrophobicContact CE2-CB 3.81Å; F214-L241 HydrophobicContact CE2-CD1 4.3Å; F214-L241 HydrophobicContact CG-CB 4.28Å; F214-L241 HydrophobicContact CZ-CB 4.01Å; I217-L241 HydrophobicContact CD1-CB 4.11Å; I217-L241 HydrophobicContact CD1-CD2 3.69Å; I217-L241 VanDerWaalsContact CD1-O 3.28Å; I217-L241 WeakPolarHBondContact CD1-O 3.46Å; L232-L241 HydrophobicContact CB-CD2 4.23Å; L232-L241 HydrophobicContact CD2-CD2 4.25Å; S237-L241 WeakPolarHBondContact O-CG 3.29Å; S237-L241 PolarHBondContact O-N 3.08Å; E239-L241 VanDerWaalsContact C-N 3.35Å; E239-L241 PolarHBondContact O-N 3.17Å; L241-I244 PolarHBondContact O-N 3.36Å; L241-E245 WeakPolarHBondContact O-CB 3.35Å; L241-E245 PolarHBondContact O-N 3.21Å
242	K	87.8	Confident	84.3	Confident	136 Å²	136	49.5 Å²	49.5	59%	0.591	26%	0.256	S	S	*	.	H	α-helix	trans	-62.6	-45	174.5	-173.1	-172.6	173.8	-166.2	0	112.2	F214 K238 E239 I244 E245 E246	F214-K242 HydrophobicContact CE1-CB 3.83Å; F214-K242 HydrophobicContact CE1-CG 4.43Å; F214-K242 HydrophobicContact CZ-CB 4.4Å; K238-K242 VanDerWaalsContact O-CB 3.31Å; K238-K242 WeakPolarHBondContact O-CB 3.34Å; K238-K242 PolarHBondContact O-N 3.48Å; E239-K242 WeakPolarHBondContact O-CB 3.25Å; E239-K242 PolarHBondContact O-N 2.89Å; K242-I244 VanDerWaalsContact C-N 3.34Å; K242-I244 PolarHBondContact O-N 3.25Å; K242-E245 PolarHBondContact O-N 3.09Å; K242-E246 WeakPolarHBondContact O-CB 3.35Å; K242-E246 PolarHBondContact O-N 3.34Å
243	E	86.9	Confident	84.6	Confident	90 Å²	90	50.6 Å²	50.6	42%	0.421	26%	0.261	S	S	.	.	H	α-helix	trans	-63.3	-38.5	177	-70.8	173.5	-167.7	0	0	112.6	E239 M240 E246 I247 W265	E239-E243 WeakPolarHBondContact O-CG 3.44Å; E239-E243 PolarHBondContact O-N 2.77Å; M240-E243 PolarHBondContact O-N 2.76Å; E243-E246 PolarHBondContact O-N 3.43Å; E243-I247 WeakPolarHBondContact O-CB 3.22Å; E243-I247 PolarHBondContact O-N 3.39Å; E243-W265 PolarHBondContact OE2-NE1 2.94Å
244	I	87.3	Confident	85	Confident	1 Å²	1	52.5 Å²	52.5	1%	0.005	27%	0.269	C	S	.	.	H	α-helix	trans	-69	-41.8	176.8	-67.8	166.1	0	0	0	110.9	I217 L221 L232 M240 L241 K242 E246 I247 L248 W265 L267	I217-I244 HydrophobicContact CD1-CB 4.01Å; I217-I244 HydrophobicContact CD1-CG2 3.84Å; I217-I244 HydrophobicContact CG1-CG2 3.89Å; L221-I244 HydrophobicContact CD1-CG2 4.44Å; L232-I244 HydrophobicContact CD1-CD1 4.35Å; L232-I244 HydrophobicContact CD2-CD1 3.9Å; M240-I244 HydrophobicContact CG-CD1 3.86Å; M240-I244 VanDerWaalsContact O-CG1 3.26Å; M240-I244 WeakPolarHBondContact O-CG1 3.32Å; M240-I244 PolarHBondContact O-N 2.92Å; L241-I244 PolarHBondContact O-N 3.36Å; K242-I244 VanDerWaalsContact C-N 3.34Å; K242-I244 PolarHBondContact O-N 3.25Å; I244-E246 VanDerWaalsContact C-N 3.34Å; I244-E246 PolarHBondContact O-N 2.94Å; I244-I247 PolarHBondContact O-N 3.44Å; I244-L248 HydrophobicContact CG2-CD1 4.04Å; I244-L248 HydrophobicContact CG2-CG 4.43Å; I244-L248 WeakPolarHBondContact O-CB 3.47Å; I244-L248 VanDerWaalsContact O-CG 3.27Å; I244-L248 WeakPolarHBondContact O-CG 3.33Å; I244-L248 PolarHBondContact O-N 3.39Å; I244-W265 HydrophobicContact CD1-CD2 4.47Å; I244-W265 HydrophobicContact CG1-CD2 4.01Å; I244-W265 HydrophobicContact CG1-CE3 4.43Å; I244-W265 HydrophobicContact CG1-CG 4.49Å; I244-W265 HydrophobicContact CG1-CH2 4.18Å; I244-W265 HydrophobicContact CG1-CZ2 3.71Å; I244-L267 HydrophobicContact CD1-CD1 4.01Å
245	E	89.9	Confident	85.5	Confident	22 Å²	22	50.4 Å²	50.4	10%	0.103	26%	0.259	C	S	.	.	H	α-helix	trans	-61.7	-39.9	174.3	-177	71.9	-160.8	0	0	111.8	F214 P215 K216 I217 L241 K242 G249	F214-E245 WeakPolarHBondContact CA-OE2 3.32Å; F214-E245 HydrophobicContact CB-CB 4.36Å; F214-E245 HydrophobicContact CB-CG 4.34Å; F214-E245 HydrophobicContact CD1-CB 3.83Å; F214-E245 HydrophobicContact CD1-CG 4.07Å; P215-E245 WeakPolarHBondContact CD-OE1 3.39Å; K216-E245 WeakPolarHBondContact CA-OE2 3.34Å; K216-E245 WeakPolarHBondContact CB-OE1 3.48Å; K216-E245 WeakPolarHBondContact CB-OE2 3.39Å; K216-E245 WeakPolarHBondContact CD-OE1 3.48Å; K216-E245 WeakPolarHBondContact CG-OE1 3.06Å; K216-E245 PolarHBondContact N-OE1 3.46Å; K216-E245 PolarHBondContact N-OE2 2.98Å; I217-E245 HydrophobicContact CD1-CB 4.41Å; I217-E245 HydrophobicContact CG1-CB 4.47Å; I217-E245 PolarHBondContact N-OE2 3.17Å; L241-E245 WeakPolarHBondContact O-CB 3.35Å; L241-E245 PolarHBondContact O-N 3.21Å; K242-E245 PolarHBondContact O-N 3.09Å; E245-G249 PolarHBondContact O-N 3Å; E245-G249 VanDerWaalsContact O-N 3.11Å
246	E	89.3	Confident	86.1	Confident	120 Å²	120	47.2 Å²	47.2	56%	0.561	24%	0.237	S	C	*	.	H	α-helix	trans	-67.5	-43.3	175.5	-173	176.6	152	0	0	112	K242 E243 I244 G249 T250	K242-E246 WeakPolarHBondContact O-CB 3.35Å; K242-E246 PolarHBondContact O-N 3.34Å; E243-E246 PolarHBondContact O-N 3.43Å; I244-E246 VanDerWaalsContact C-N 3.34Å; I244-E246 PolarHBondContact O-N 2.94Å; E246-G249 CarbonylContact O-C 3.54Å; E246-G249 WeakPolarHBondContact O-CA 3.28Å; E246-G249 PolarHBondContact O-N 3.39Å; E246-T250 WeakPolarHBondContact O-CB 3.24Å; E246-T250 WeakPolarHBondContact O-CG2 3.27Å; E246-T250 PolarHBondContact O-N 3.19Å; E246-T250 PolarHBondContact O-OG1 3.19Å
247	I	89.3	Confident	86.9	Confident	18 Å²	18	46.4 Å²	46.4	9%	0.092	23%	0.228	C	C	.	.	H	α-helix	trans	-73	-34.1	179.1	-79.5	164.4	0	0	0	112.1	E243 I244 G249 T250 H251 P252 K254 W265	E243-I247 WeakPolarHBondContact O-CB 3.22Å; E243-I247 PolarHBondContact O-N 3.39Å; I244-I247 PolarHBondContact O-N 3.44Å; I247-G249 PolarHBondContact O-N 3.21Å; I247-T250 PolarHBondContact O-N 3.49Å; I247-H251 CarbonylContact O-C 3.51Å; I247-H251 VanDerWaalsContact O-C 3.24Å; I247-H251 PolarHBondContact O-N 2.67Å; I247-P252 WeakPolarHBondContact O-CA 3.37Å; I247-P252 VanDerWaalsContact O-N 3.12Å; I247-K254 HydrophobicContact CD1-CD 3.73Å; I247-K254 HydrophobicContact CG1-CD 4.13Å; I247-K254 HydrophobicContact CG2-CB 3.94Å; I247-K254 HydrophobicContact CG2-CD 3.93Å; I247-K254 HydrophobicContact CG2-CG 4.4Å; I247-W265 HydrophobicContact CB-CH2 4.3Å; I247-W265 HydrophobicContact CB-CZ2 4.16Å; I247-W265 HydrophobicContact CD1-CH2 4.05Å; I247-W265 HydrophobicContact CD1-CZ2 3.49Å; I247-W265 VanDerWaalsContact CD1-CZ2 3.49Å; I247-W265 HydrophobicContact CG1-CZ2 4.38Å; I247-W265 HydrophobicContact CG2-CH2 3.93Å; I247-W265 HydrophobicContact CG2-CZ2 4.3Å
248	L	87.9	Confident	87	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-60.2	-28.7	165.3	-76.5	169.7	0	0	0	112.2	K216 I217 F220 L224 I244 L255 L283	K216-L248 HydrophobicContact CB-CB 4.17Å; K216-L248 HydrophobicContact CB-CD1 4.2Å; K216-L248 HydrophobicContact CD-CB 4.44Å; I217-L248 HydrophobicContact CG1-CD1 3.91Å; F220-L248 HydrophobicContact CB-CD2 4.08Å; F220-L248 HydrophobicContact CD2-CD2 4.45Å; L224-L248 HydrophobicContact CD1-CD2 3.86Å; I244-L248 HydrophobicContact CG2-CD1 4.04Å; I244-L248 HydrophobicContact CG2-CG 4.43Å; I244-L248 WeakPolarHBondContact O-CB 3.47Å; I244-L248 VanDerWaalsContact O-CG 3.27Å; I244-L248 WeakPolarHBondContact O-CG 3.33Å; I244-L248 PolarHBondContact O-N 3.39Å; L248-L255 HydrophobicContact CD2-CD1 3.49Å; L248-L255 VanDerWaalsContact CD2-CD1 3.49Å; L248-L255 HydrophobicContact CG-CD1 4.06Å; L248-L283 HydrophobicContact CD2-CD1 3.98Å; L248-L283 WeakPolarHBondContact O-CD2 3.38Å
249	G	86.5	Confident	86.9	Confident	22 Å²	22	40.6 Å²	40.6	23%	0.227	20%	0.199	C	C	.	.	H	α-helix	trans	-85.6	-12.6	176.3	0	0	0	0	0	116.3	K216 E245 E246 I247	K216-G249 VanDerWaalsContact NZ-CA 3.34Å; E245-G249 PolarHBondContact O-N 3Å; E245-G249 VanDerWaalsContact O-N 3.11Å; E246-G249 CarbonylContact O-C 3.54Å; E246-G249 WeakPolarHBondContact O-CA 3.28Å; E246-G249 PolarHBondContact O-N 3.39Å; I247-G249 PolarHBondContact O-N 3.21Å
250	T	88.1	Confident	87	Confident	62 Å²	62	35.1 Å²	35.1	38%	0.38	17%	0.173	S	C	.	.	H	α-helix	trans	-135	-50.2	-168.9	57.3	0	0	0	0	114.1	E246 I247	E246-T250 WeakPolarHBondContact O-CB 3.24Å; E246-T250 WeakPolarHBondContact O-CG2 3.27Å; E246-T250 PolarHBondContact O-N 3.19Å; E246-T250 PolarHBondContact O-OG1 3.19Å; I247-T250 PolarHBondContact O-N 3.49Å
251	H	89.4	Confident	87	Confident	89 Å²	89	33.7 Å²	33.7	41%	0.412	17%	0.166	S	C	.	.			trans	-136	55.1	-172.3	-57.1	90.4	0	0	0	111.5	I247 W253 K254	I247-H251 CarbonylContact O-C 3.51Å; I247-H251 VanDerWaalsContact O-C 3.24Å; I247-H251 PolarHBondContact O-N 2.67Å; H251-W253 PolarHBondContact O-N 2.87Å; H251-K254 HydrophobicContact CB-CD 4.43Å; H251-K254 HydrophobicContact CB-CG 4.37Å; H251-K254 PolarHBondContact O-N 2.99Å
252	P	88.2	Confident	86.6	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-60.3	-20.4	-168.4	21.8	-33.1	0	0	0	114	I247 K254 L255 F277 L283 L286 M287	I247-P252 WeakPolarHBondContact O-CA 3.37Å; I247-P252 VanDerWaalsContact O-N 3.12Å; P252-K254 PolarHBondContact O-N 3.35Å; P252-L255 PolarHBondContact O-N 3.06Å; P252-F277 WeakPolarHBondContact O-CE1 3.39Å; P252-F277 WeakPolarHBondContact O-CZ 3.4Å; P252-L283 HydrophobicContact CB-CB 4.27Å; P252-L283 HydrophobicContact CB-CD1 4.34Å; P252-L283 HydrophobicContact CB-CD2 4.2Å; P252-L283 HydrophobicContact CG-CB 4.24Å; P252-L283 HydrophobicContact CG-CD2 4.37Å; P252-L286 HydrophobicContact CG-CB 4.05Å; P252-L286 HydrophobicContact CG-CD1 4.39Å; P252-M287 HydrophobicContact CB-CE 4.04Å; P252-M287 HydrophobicContact CG-CE 3.9Å; P252-M287 HydrophobicContact CG-CG 4.17Å
253	W	89.5	Confident	86.3	Confident	23 Å²	23	36.3 Å²	36.3	9%	0.087	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-58.4	-25.4	174.9	61.1	-103.9	0	0	0	113.8	H251 L255 G256 F257 I260 M287 E291 L295 F337 I341	H251-W253 PolarHBondContact O-N 2.87Å; W253-L255 PolarHBondContact O-N 2.72Å; W253-L255 VanDerWaalsContact O-N 3.17Å; W253-G256 PolarHBondContact O-N 2.73Å; W253-F257 AromaticContact CE3-CD2 3.96Å; W253-F257 HydrophobicContact CE3-CD2 3.96Å; W253-F257 AromaticContact CE3-CE2 3.78Å; W253-F257 HydrophobicContact CE3-CE2 3.78Å; W253-F257 HydrophobicContact CZ3-CD2 4.35Å; W253-F257 HydrophobicContact CZ3-CE2 4.32Å; W253-F257 WeakPolarHBondContact O-CD2 3.39Å; W253-I260 HydrophobicContact CZ3-CD1 3.85Å; W253-M287 HydrophobicContact CB-CE 4.34Å; W253-M287 HydrophobicContact CB-CG 4.36Å; W253-M287 HydrophobicContact CB-SD 4.09Å; W253-E291 HydrophobicContact CB-CB 4.19Å; W253-E291 HydrophobicContact CD2-CG 4.3Å; W253-E291 HydrophobicContact CG-CB 4.06Å; W253-E291 HydrophobicContact CG-CG 4.03Å; W253-E291 PolarHBondContact NE1-OE1 2.97Å; W253-L295 HydrophobicContact CB-CD1 3.94Å; W253-L295 HydrophobicContact CB-CG 4.49Å; W253-F337 HydrophobicContact CD2-CZ 4.5Å; W253-F337 HydrophobicContact CE3-CZ 4.34Å; W253-F337 AromaticContact CH2-CZ 3.79Å; W253-F337 HydrophobicContact CH2-CZ 3.79Å; W253-F337 AromaticContact CZ2-CZ 3.95Å; W253-F337 HydrophobicContact CZ2-CZ 3.95Å; W253-F337 HydrophobicContact CZ3-CE1 4.43Å; W253-F337 HydrophobicContact CZ3-CZ 4Å; W253-I341 HydrophobicContact CH2-CG2 4.22Å; W253-I341 HydrophobicContact CZ3-CD1 4.32Å; W253-I341 HydrophobicContact CZ3-CG2 4.42Å
254	K	89.4	Confident	86.1	Confident	42 Å²	42	35 Å²	35	18%	0.183	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-54.5	-34.3	176.6	-79.1	-172.9	165.7	-162.7	0	112.6	I247 H251 P252 G256 F257 I260 E264	I247-K254 HydrophobicContact CD1-CD 3.73Å; I247-K254 HydrophobicContact CG1-CD 4.13Å; I247-K254 HydrophobicContact CG2-CB 3.94Å; I247-K254 HydrophobicContact CG2-CD 3.93Å; I247-K254 HydrophobicContact CG2-CG 4.4Å; H251-K254 HydrophobicContact CB-CD 4.43Å; H251-K254 HydrophobicContact CB-CG 4.37Å; H251-K254 PolarHBondContact O-N 2.99Å; P252-K254 PolarHBondContact O-N 3.35Å; K254-G256 PolarHBondContact O-N 3.36Å; K254-F257 PolarHBondContact O-N 3.37Å; K254-I260 HydrophobicContact CB-CG2 4.15Å; K254-I260 HydrophobicContact CD-CG2 4.38Å; K254-I260 HydrophobicContact CG-CG2 4.19Å; K254-E264 IonicContact NZ-OE1 3.68Å; K254-E264 IonicContact NZ-OE2 3.63Å; K254-E264 PolarHBondContact NZ-OE2 3.41Å
255	L	87.9	Confident	85.6	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-68.6	-15.6	179.1	-63.9	165.5	0	0	0	112.9	L224 L225 L248 P252 W253 F257 W265 E271 A272 F277	L224-L255 HydrophobicContact CD1-CD1 3.97Å; L225-L255 HydrophobicContact CD1-CD2 3.85Å; L248-L255 HydrophobicContact CD2-CD1 3.49Å; L248-L255 VanDerWaalsContact CD2-CD1 3.49Å; L248-L255 HydrophobicContact CG-CD1 4.06Å; P252-L255 PolarHBondContact O-N 3.06Å; W253-L255 PolarHBondContact O-N 2.72Å; W253-L255 VanDerWaalsContact O-N 3.17Å; L255-F257 VanDerWaalsContact C-N 3.3Å; L255-F257 PolarHBondContact O-N 2.65Å; L255-W265 HydrophobicContact CD2-CH2 3.77Å; L255-W265 HydrophobicContact CD2-CZ3 3.55Å; L255-W265 HydrophobicContact CG-CH2 4.48Å; L255-E271 WeakPolarHBondContact O-CA 3.48Å; L255-A272 HydrophobicContact CB-CB 4.15Å; L255-A272 PolarHBondContact O-N 3.21Å; L255-F277 HydrophobicContact CB-CZ 4.17Å
256	G	85.7	Confident	84.8	Confident	3 Å²	3	38.6 Å²	38.6	3%	0.031	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-86.3	11.7	177.2	0	0	0	0	0	115.2	W253 K254 E271 A272	W253-G256 PolarHBondContact O-N 2.73Å; K254-G256 PolarHBondContact O-N 3.36Å; G256-E271 WeakPolarHBondContact O-CG 3.39Å; G256-A272 WeakPolarHBondContact CA-O 3.46Å
257	F	87.6	Confident	83.9	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.155	C	C	.	.			trans	-136	102	-178.6	-63.1	-73.7	0	0	0	111.5	W253 K254 L255 K259 I260 T261 L295 Y298 L338 I341 V343	W253-F257 AromaticContact CE3-CD2 3.96Å; W253-F257 HydrophobicContact CE3-CD2 3.96Å; W253-F257 AromaticContact CE3-CE2 3.78Å; W253-F257 HydrophobicContact CE3-CE2 3.78Å; W253-F257 HydrophobicContact CZ3-CD2 4.35Å; W253-F257 HydrophobicContact CZ3-CE2 4.32Å; W253-F257 WeakPolarHBondContact O-CD2 3.39Å; K254-F257 PolarHBondContact O-N 3.37Å; L255-F257 VanDerWaalsContact C-N 3.3Å; L255-F257 PolarHBondContact O-N 2.65Å; F257-K259 PolarHBondContact O-N 2.9Å; F257-I260 HydrophobicContact CB-CB 4.15Å; F257-I260 HydrophobicContact CB-CD1 3.87Å; F257-I260 HydrophobicContact CB-CG1 3.87Å; F257-I260 HydrophobicContact CD2-CD1 4.03Å; F257-I260 HydrophobicContact CG-CD1 4.16Å; F257-I260 PolarHBondContact O-N 2.94Å; F257-T261 PolarHBondContact O-N 2.96Å; F257-L295 HydrophobicContact CD2-CD2 4.16Å; F257-L295 HydrophobicContact CE1-CD2 4.4Å; F257-L295 HydrophobicContact CE2-CD2 3.55Å; F257-L295 HydrophobicContact CE2-CG 4.21Å; F257-L295 HydrophobicContact CZ-CD2 3.7Å; F257-L295 HydrophobicContact CZ-CG 4.22Å; F257-Y298 AromaticContact CD1-CD1 3.48Å; F257-Y298 HydrophobicContact CD1-CD1 3.48Å; F257-Y298 VanDerWaalsContact CD1-CD1 3.48Å; F257-Y298 HydrophobicContact CD1-CD2 4.42Å; F257-Y298 AromaticContact CD1-CE1 3.64Å; F257-Y298 HydrophobicContact CD1-CE1 3.64Å; F257-Y298 AromaticContact CD1-CG 3.9Å; F257-Y298 HydrophobicContact CD1-CG 3.9Å; F257-Y298 AromaticContact CE1-CD1 3.57Å; F257-Y298 HydrophobicContact CE1-CD1 3.57Å; F257-Y298 HydrophobicContact CE1-CD2 4.28Å; F257-Y298 HydrophobicContact CE1-CE1 4.2Å; F257-Y298 AromaticContact CE1-CG 3.61Å; F257-Y298 HydrophobicContact CE1-CG 3.61Å; F257-L338 HydrophobicContact CD1-CD2 4.48Å; F257-L338 HydrophobicContact CE1-CD2 3.38Å; F257-L338 HydrophobicContact CZ-CD2 3.63Å; F257-I341 HydrophobicContact CD1-CD1 4.47Å; F257-I341 HydrophobicContact CD2-CD1 4.29Å; F257-I341 HydrophobicContact CE1-CD1 4.25Å; F257-I341 HydrophobicContact CE2-CD1 4.06Å; F257-I341 HydrophobicContact CG-CD1 4.49Å; F257-I341 HydrophobicContact CZ-CD1 4.04Å; F257-V343 HydrophobicContact CB-CG1 4.1Å; F257-V343 HydrophobicContact CD1-CB 4.23Å; F257-V343 HydrophobicContact CD1-CG1 3.99Å; F257-V343 HydrophobicContact CD1-CG2 3.82Å; F257-V343 HydrophobicContact CE1-CG2 3.92Å; F257-V343 HydrophobicContact CG-CG1 4.22Å
258	S	81.1	Confident	82.6	Confident	17 Å²	17	32.2 Å²	32.2	12%	0.119	15%	0.151	C	C	.	.	H	α-helix	trans	-53.5	-32.5	-175.5	64.3	0	0	0	0	114.7	T261 Y262 E271	S258-T261 PolarHBondContact O-OG1 3.24Å; S258-Y262 VanDerWaalsContact O-CB 3.29Å; S258-Y262 WeakPolarHBondContact O-CB 3.28Å; S258-Y262 PolarHBondContact O-N 2.87Å; S258-E271 PolarHBondContact N-OE2 2.79Å; S258-E271 VanDerWaalsContact N-OE2 3.09Å
259	K	80.6	Confident	81.5	Confident	54 Å²	54	36.4 Å²	36.4	24%	0.235	17%	0.167	C	C	.	.	H	α-helix	trans	-70.6	-31	177.9	-174.4	178.4	174	-169.5	0	112.9	F257 R263 G342 V343 Y354	F257-K259 PolarHBondContact O-N 2.9Å; K259-R263 VanDerWaalsContact O-CB 3.3Å; K259-R263 WeakPolarHBondContact O-CB 3.31Å; K259-R263 PolarHBondContact O-N 3.09Å; K259-G342 PolarHBondContact NZ-O 3.32Å; K259-V343 HydrophobicContact CB-CG1 4.43Å; K259-Y354 HydrophobicContact CD-CD1 4.15Å; K259-Y354 HydrophobicContact CD-CG 4.44Å
260	I	84.7	Confident	80.9	Confident	4 Å²	4	35.3 Å²	35.3	2%	0.021	16%	0.156	C	C	.	.	H	α-helix	trans	-73.4	-47.8	175.3	-62	-176	0	0	0	109.3	W253 K254 F257 Y262 R263 E264 I341 V343	W253-I260 HydrophobicContact CZ3-CD1 3.85Å; K254-I260 HydrophobicContact CB-CG2 4.15Å; K254-I260 HydrophobicContact CD-CG2 4.38Å; K254-I260 HydrophobicContact CG-CG2 4.19Å; F257-I260 HydrophobicContact CB-CB 4.15Å; F257-I260 HydrophobicContact CB-CD1 3.87Å; F257-I260 HydrophobicContact CB-CG1 3.87Å; F257-I260 HydrophobicContact CD2-CD1 4.03Å; F257-I260 HydrophobicContact CG-CD1 4.16Å; F257-I260 PolarHBondContact O-N 2.94Å; I260-Y262 VanDerWaalsContact C-N 3.25Å; I260-Y262 PolarHBondContact O-N 3.38Å; I260-R263 PolarHBondContact O-N 3.13Å; I260-R263 VanDerWaalsContact O-N 3.11Å; I260-E264 PolarHBondContact O-N 3.4Å; I260-I341 HydrophobicContact CD1-CB 4.47Å; I260-I341 HydrophobicContact CD1-CD1 4.19Å; I260-V343 HydrophobicContact CD1-CG1 4.46Å; I260-V343 HydrophobicContact CG1-CG1 4.24Å
261	T	83.4	Confident	80.6	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-62.3	-34	179.3	71.2	0	0	0	0	112.6	F257 S258 W265 K266 L267 C270	F257-T261 PolarHBondContact O-N 2.96Å; S258-T261 PolarHBondContact O-OG1 3.24Å; T261-W265 HydrophobicContact CG2-CE3 4.25Å; T261-W265 HydrophobicContact CG2-CZ3 3.99Å; T261-W265 CarbonylContact O-C 3.59Å; T261-W265 PolarHBondContact O-N 2.82Å; T261-K266 PolarHBondContact O-N 3.07Å; T261-L267 PolarHBondContact O-N 3.15Å; T261-L267 PolarHBondContact OG1-O 3.44Å; T261-L267 VanDerWaalsContact OG1-O 3.12Å; T261-C270 HydrophobicContact CG2-CB 4.16Å; T261-C270 WeakPolarHBondContact CG2-O 3.28Å; T261-C270 WeakPolarHBondContact OG1-CB 3.39Å; T261-C270 PolarHBondContact OG1-O 2.95Å; T261-C270 VanDerWaalsContact OG1-O 3.04Å
262	Y	79.1	Confident	80.4	Confident	49 Å²	49	30.8 Å²	30.8	19%	0.192	13%	0.131	C	C	.	.	H	α-helix	trans	-72.1	-41.8	173.1	178.7	-115.6	0	0	0	112.8	E45 N49 S258 I260 K266 L268	E45-Y262 PolarHBondContact O-OH 3.4Å; N49-Y262 VanDerWaalsContact CB-OH 3.25Å; N49-Y262 WeakPolarHBondContact CB-OH 3.31Å; N49-Y262 PolarHBondContact ND2-OH 3.3Å; S258-Y262 VanDerWaalsContact O-CB 3.29Å; S258-Y262 WeakPolarHBondContact O-CB 3.28Å; S258-Y262 PolarHBondContact O-N 2.87Å; I260-Y262 VanDerWaalsContact C-N 3.25Å; I260-Y262 PolarHBondContact O-N 3.38Å; Y262-K266 WeakPolarHBondContact O-CA 3.49Å; Y262-K266 PolarHBondContact O-N 3Å; Y262-K266 VanDerWaalsContact O-N 3.13Å; Y262-L268 HydrophobicContact CD2-CD2 3.41Å; Y262-L268 VanDerWaalsContact CD2-CD2 3.41Å; Y262-L268 HydrophobicContact CE2-CD2 3.52Å
263	R	81.1	Confident	80.2	Confident	147 Å²	147	33.3 Å²	33.3	56%	0.555	15%	0.149	S	C	*	.	H	α-helix	trans	-62.3	-47.2	177.9	-179	-177.9	69.1	-165.7	-0.5	111.7	K259 I260	K259-R263 VanDerWaalsContact O-CB 3.3Å; K259-R263 WeakPolarHBondContact O-CB 3.31Å; K259-R263 PolarHBondContact O-N 3.09Å; I260-R263 PolarHBondContact O-N 3.13Å; I260-R263 VanDerWaalsContact O-N 3.11Å
264	E	82	Confident	79.9	Confident	61 Å²	61	35.4 Å²	35.4	29%	0.285	16%	0.157	S	C	.	.	H	α-helix	trans	-86.8	-43	-169.8	-68.1	173.2	-159.3	0	0	111.6	K254 I260	K254-E264 IonicContact NZ-OE1 3.68Å; K254-E264 IonicContact NZ-OE2 3.63Å; K254-E264 PolarHBondContact NZ-OE2 3.41Å; I260-E264 PolarHBondContact O-N 3.4Å
265	W	77.4	Confident	79.6	Confident	6 Å²	6	39.1 Å²	39.1	2%	0.023	18%	0.177	C	C	.	.	H	α-helix	trans	-121.2	4	-173.3	-54.4	-56.1	0	0	0	115.8	M240 E243 I244 I247 L255 T261 L267	M240-W265 HydrophobicContact CE-CB 4.47Å; M240-W265 VanDerWaalsContact CE-O 3.28Å; M240-W265 WeakPolarHBondContact CE-O 3.33Å; M240-W265 HydrophobicContact CG-CB 4.3Å; M240-W265 HydrophobicContact CG-CG 4.37Å; E243-W265 PolarHBondContact OE2-NE1 2.94Å; I244-W265 HydrophobicContact CD1-CD2 4.47Å; I244-W265 HydrophobicContact CG1-CD2 4.01Å; I244-W265 HydrophobicContact CG1-CE3 4.43Å; I244-W265 HydrophobicContact CG1-CG 4.49Å; I244-W265 HydrophobicContact CG1-CH2 4.18Å; I244-W265 HydrophobicContact CG1-CZ2 3.71Å; I247-W265 HydrophobicContact CB-CH2 4.3Å; I247-W265 HydrophobicContact CB-CZ2 4.16Å; I247-W265 HydrophobicContact CD1-CH2 4.05Å; I247-W265 HydrophobicContact CD1-CZ2 3.49Å; I247-W265 VanDerWaalsContact CD1-CZ2 3.49Å; I247-W265 HydrophobicContact CG1-CZ2 4.38Å; I247-W265 HydrophobicContact CG2-CH2 3.93Å; I247-W265 HydrophobicContact CG2-CZ2 4.3Å; L255-W265 HydrophobicContact CD2-CH2 3.77Å; L255-W265 HydrophobicContact CD2-CZ3 3.55Å; L255-W265 HydrophobicContact CG-CH2 4.48Å; T261-W265 HydrophobicContact CG2-CE3 4.25Å; T261-W265 HydrophobicContact CG2-CZ3 3.99Å; T261-W265 CarbonylContact O-C 3.59Å; T261-W265 PolarHBondContact O-N 2.82Å; W265-L267 HydrophobicContact CB-CB 4.49Å; W265-L267 HydrophobicContact CB-CD1 4.02Å; W265-L267 HydrophobicContact CB-CG 3.72Å; W265-L267 HydrophobicContact CE3-CD1 4.18Å; W265-L267 PolarHBondContact O-N 2.87Å; W265-L267 VanDerWaalsContact O-N 3.09Å
266	K	73.1	Confident	79.4	Confident	93 Å²	93	39.5 Å²	39.5	40%	0.404	18%	0.181	S	C	.	.			trans	55.5	21.4	-170.9	-49.9	-60.5	177.7	-170.9	0	114.1	G51 V52 T261 Y262 L268	G51-K266 WeakPolarHBondContact CA-O 3.39Å; V52-K266 PolarHBondContact N-O 3.01Å; T261-K266 PolarHBondContact O-N 3.07Å; Y262-K266 WeakPolarHBondContact O-CA 3.49Å; Y262-K266 PolarHBondContact O-N 3Å; Y262-K266 VanDerWaalsContact O-N 3.13Å; K266-L268 WeakPolarHBondContact O-CD2 3.48Å; K266-L268 PolarHBondContact O-N 2.96Å
267	L	70.4	Confident	79.4	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	18%	0.179	C	C	.	.	B	Isolated β-bridge	trans	-80.3	114.2	178.5	-63.7	-179.1	0	0	0	110.5	V52 L232 M240 I244 T261 W265 C270	V52-L267 HydrophobicContact CB-CD2 3.67Å; V52-L267 HydrophobicContact CG1-CD2 3.78Å; V52-L267 HydrophobicContact CG2-CD2 3.91Å; L232-L267 HydrophobicContact CD1-CD1 4.09Å; L232-L267 HydrophobicContact CD2-CD1 4.43Å; L232-L267 HydrophobicContact CD2-CD2 4.19Å; M240-L267 HydrophobicContact SD-CD2 4.01Å; I244-L267 HydrophobicContact CD1-CD1 4.01Å; T261-L267 PolarHBondContact O-N 3.15Å; T261-L267 PolarHBondContact OG1-O 3.44Å; T261-L267 VanDerWaalsContact OG1-O 3.12Å; W265-L267 HydrophobicContact CB-CB 4.49Å; W265-L267 HydrophobicContact CB-CD1 4.02Å; W265-L267 HydrophobicContact CB-CG 3.72Å; W265-L267 HydrophobicContact CE3-CD1 4.18Å; W265-L267 PolarHBondContact O-N 2.87Å; W265-L267 VanDerWaalsContact O-N 3.09Å; L267-C270 HydrophobicContact CB-CB 3.62Å
268	L	62.3	Low	79.3	Confident	4 Å²	4	42.2 Å²	42.2	2%	0.021	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	127.5	-169.7	-53.3	-174.4	0	0	0	111.8	E46 L47 V52 K53 H228 Y262 K266 C270	E46-L268 VanDerWaalsContact C-CD1 3.43Å; E46-L268 HydrophobicContact CB-CB 4.45Å; E46-L268 HydrophobicContact CB-CD1 3.99Å; E46-L268 HydrophobicContact CB-CD2 3.67Å; E46-L268 HydrophobicContact CB-CG 4.21Å; E46-L268 HydrophobicContact CG-CD2 4.25Å; E46-L268 WeakPolarHBondContact O-CD1 3.37Å; E46-L268 WeakPolarHBondContact O-CD2 3.23Å; L47-L268 VanDerWaalsContact CA-CD1 3.46Å; L47-L268 HydrophobicContact CD2-CD1 3.88Å; V52-L268 WeakPolarHBondContact O-CB 3.45Å; V52-L268 VanDerWaalsContact O-CG 3.27Å; V52-L268 WeakPolarHBondContact O-CG 3.24Å; V52-L268 PolarHBondContact O-N 3.03Å; V52-L268 VanDerWaalsContact O-N 3.15Å; K53-L268 HydrophobicContact CG-CD1 4.49Å; H228-L268 PolarHBondContact CE1-O 3.1Å; H228-L268 PolarHBondContact NE2-O 3Å; Y262-L268 HydrophobicContact CD2-CD2 3.41Å; Y262-L268 VanDerWaalsContact CD2-CD2 3.41Å; Y262-L268 HydrophobicContact CE2-CD2 3.52Å; K266-L268 WeakPolarHBondContact O-CD2 3.48Å; K266-L268 PolarHBondContact O-N 2.96Å; L268-C270 PolarHBondContact O-N 2.84Å
269	R	64	Low	79.3	Confident	88 Å²	88	44.5 Å²	44.5	33%	0.332	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.4	32.7	179.2	-54	-173.3	174.7	-152	-10	112.7	V40 F41 E46 E271	V40-R269 PolarHBondContact O-NH1 3.28Å; F41-R269 VanDerWaalsContact C-NH1 3.34Å; F41-R269 PolarHBondContact O-NH1 2.77Å; F41-R269 PolarHBondContact O-NH2 2.89Å; E46-R269 WeakPolarHBondContact OE1-CG 3.18Å; E46-R269 IonicContact OE1-NE 3.4Å; E46-R269 IonicContact OE2-CZ 3.3Å; E46-R269 VanDerWaalsContact OE2-CZ 3.32Å; E46-R269 IonicContact OE2-NE 3.24Å; E46-R269 PolarHBondContact OE2-NE 2.9Å; E46-R269 IonicContact OE2-NH2 3.09Å; E46-R269 PolarHBondContact OE2-NH2 3.46Å; R269-E271 PolarHBondContact O-N 2.9Å; R269-E271 VanDerWaalsContact O-N 3.17Å
270	C	73.2	Confident	79.5	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	20%	0.197	C	C	.	.			trans	-80.2	94.7	177.2	-134.9	0	0	0	0	106.3	L225 H228 T261 L267 L268	L225-C270 VanDerWaalsContact CD1-SG 3.54Å; L225-C270 HydrophobicContact CD2-CB 4.33Å; H228-C270 VanDerWaalsContact CD2-SG 3.53Å; H228-C270 VanDerWaalsContact CE1-SG 3.58Å; H228-C270 PolarHBondContact ND1-SG 2.89Å; T261-C270 HydrophobicContact CG2-CB 4.16Å; T261-C270 WeakPolarHBondContact CG2-O 3.28Å; T261-C270 WeakPolarHBondContact OG1-CB 3.39Å; T261-C270 PolarHBondContact OG1-O 2.95Å; T261-C270 VanDerWaalsContact OG1-O 3.04Å; L267-C270 HydrophobicContact CB-CB 3.62Å; L268-C270 PolarHBondContact O-N 2.84Å
271	E	83.3	Confident	79.5	Confident	53 Å²	53	49 Å²	49	25%	0.248	23%	0.229	C	C	.	.			trans	-135.4	108.5	-178.8	-167	169.9	102.8	0	0	110.3	L255 G256 S258 R269 S273 K302	L255-E271 WeakPolarHBondContact O-CA 3.48Å; G256-E271 WeakPolarHBondContact O-CG 3.39Å; S258-E271 PolarHBondContact N-OE2 2.79Å; S258-E271 VanDerWaalsContact N-OE2 3.09Å; R269-E271 PolarHBondContact O-N 2.9Å; R269-E271 VanDerWaalsContact O-N 3.17Å; E271-S273 PolarHBondContact O-N 2.71Å; E271-K302 IonicContact OE1-NZ 2.82Å; E271-K302 PolarHBondContact OE1-NZ 2.94Å; E271-K302 IonicContact OE2-NZ 3.68Å; E271-K302 PolarHBondContact OE2-NZ 2.75Å
272	A	85.1	Confident	79.6	Confident	3 Å²	3	51.5 Å²	51.5	3%	0.025	25%	0.247	C	C	.	.			trans	-69.5	116.2	172.8	0	0	0	0	0	109.2	L224 L225 L255 G256 F277	L224-A272 HydrophobicContact CB-CB 3.91Å; L224-A272 HydrophobicContact CD2-CB 4.14Å; L224-A272 HydrophobicContact CG-CB 4.45Å; L225-A272 HydrophobicContact CD2-CB 4.44Å; L255-A272 HydrophobicContact CB-CB 4.15Å; L255-A272 PolarHBondContact O-N 3.21Å; G256-A272 WeakPolarHBondContact CA-O 3.46Å; A272-F277 HydrophobicContact CB-CD2 4.25Å; A272-F277 HydrophobicContact CB-CE1 4.23Å; A272-F277 HydrophobicContact CB-CE2 3.56Å; A272-F277 HydrophobicContact CB-CZ 3.56Å; A272-F277 WeakPolarHBondContact O-CE2 3.39Å
273	S	82.9	Confident	80	Confident	52 Å²	52	49.2 Å²	49.2	36%	0.364	24%	0.238	S	C	.	.			trans	-66.9	152.9	179.1	75.8	0	0	0	0	111.5	E271 I275 A276 F277	E271-S273 PolarHBondContact O-N 2.71Å; S273-I275 PolarHBondContact O-N 2.73Å; S273-I275 VanDerWaalsContact O-N 3.15Å; S273-A276 WeakPolarHBondContact O-CB 3.19Å; S273-A276 PolarHBondContact O-N 3.31Å; S273-A276 PolarHBondContact OG-N 2.73Å; S273-A276 VanDerWaalsContact OG-N 3.13Å; S273-F277 WeakPolarHBondContact O-CD2 3.48Å; S273-F277 PolarHBondContact O-N 2.95Å
274	W	84.1	Confident	80.3	Confident	67 Å²	67	43.9 Å²	43.9	25%	0.254	22%	0.22	S	C	.	.	H	α-helix	trans	-54.2	-33.2	172	177.5	-108.1	0	0	0	112.6	F277 C278 L284 K292 L295 I296	W274-F277 PolarHBondContact O-N 2.89Å; W274-C278 VanDerWaalsContact CE2-SG 3.56Å; W274-C278 PolarHBondContact NE1-SG 3.48Å; W274-C278 PolarHBondContact O-N 3.07Å; W274-C278 PolarHBondContact O-SG 2.85Å; W274-L284 HydrophobicContact CH2-CD2 3.81Å; W274-L284 HydrophobicContact CZ3-CD2 3.83Å; W274-K292 HydrophobicContact CH2-CB 3.85Å; W274-K292 HydrophobicContact CH2-CG 3.98Å; W274-K292 HydrophobicContact CZ3-CB 4Å; W274-K292 HydrophobicContact CZ3-CG 4.12Å; W274-L295 HydrophobicContact CE3-CB 4.04Å; W274-L295 HydrophobicContact CE3-CD1 4.35Å; W274-L295 HydrophobicContact CZ3-CB 4.5Å; W274-L295 HydrophobicContact CZ3-CD1 4.39Å; W274-I296 HydrophobicContact CD2-CD1 4.35Å; W274-I296 HydrophobicContact CD2-CG1 3.66Å; W274-I296 HydrophobicContact CE3-CG1 4.07Å; W274-I296 HydrophobicContact CG-CG1 4.08Å; W274-I296 HydrophobicContact CH2-CD1 4.17Å; W274-I296 HydrophobicContact CH2-CG1 4.39Å; W274-I296 HydrophobicContact CZ2-CD1 3.75Å; W274-I296 HydrophobicContact CZ2-CG1 4.01Å; W274-I296 HydrophobicContact CZ3-CG1 4.41Å
275	I	82.6	Confident	80.5	Confident	120 Å²	120	48.6 Å²	48.6	62%	0.615	24%	0.242	S	C	*	.	H	α-helix	trans	-67	-37.2	176.4	-60.2	175	0	0	0	111.3	S273 C278 Q279	S273-I275 PolarHBondContact O-N 2.73Å; S273-I275 VanDerWaalsContact O-N 3.15Å; I275-C278 WeakPolarHBondContact O-CB 3.46Å; I275-C278 PolarHBondContact O-N 3.33Å; I275-Q279 PolarHBondContact O-N 3.45Å
276	A	83.9	Confident	81.1	Confident	9 Å²	9	52.3 Å²	52.3	7%	0.074	26%	0.262	C	S	.	.	H	α-helix	trans	-70.1	-41.6	175.6	0	0	0	0	0	111.5	L224 S273 C278 Q279	L224-A276 HydrophobicContact CD2-CB 4.09Å; S273-A276 WeakPolarHBondContact O-CB 3.19Å; S273-A276 PolarHBondContact O-N 3.31Å; S273-A276 PolarHBondContact OG-N 2.73Å; S273-A276 VanDerWaalsContact OG-N 3.13Å; A276-C278 VanDerWaalsContact C-N 3.27Å; A276-C278 PolarHBondContact O-N 2.86Å; A276-Q279 WeakPolarHBondContact O-CB 3.28Å; A276-Q279 PolarHBondContact O-N 2.82Å
277	F	86.4	Confident	81.9	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-60.3	-36.2	171.2	-72.3	-63.4	0	0	0	112.5	L224 P252 L255 A272 S273 W274 Q279 C280 L284 M287 L295	L224-F277 HydrophobicContact CD1-CD1 4.49Å; L224-F277 HydrophobicContact CD1-CE1 4.08Å; L224-F277 HydrophobicContact CD2-CD1 3.6Å; L224-F277 HydrophobicContact CD2-CE1 3.89Å; L224-F277 HydrophobicContact CD2-CG 4.13Å; P252-F277 WeakPolarHBondContact O-CE1 3.39Å; P252-F277 WeakPolarHBondContact O-CZ 3.4Å; L255-F277 HydrophobicContact CB-CZ 4.17Å; A272-F277 HydrophobicContact CB-CD2 4.25Å; A272-F277 HydrophobicContact CB-CE1 4.23Å; A272-F277 HydrophobicContact CB-CE2 3.56Å; A272-F277 HydrophobicContact CB-CZ 3.56Å; A272-F277 WeakPolarHBondContact O-CE2 3.39Å; S273-F277 WeakPolarHBondContact O-CD2 3.48Å; S273-F277 PolarHBondContact O-N 2.95Å; W274-F277 PolarHBondContact O-N 2.89Å; F277-Q279 PolarHBondContact O-N 2.72Å; F277-C280 CarbonylContact O-C 3.52Å; F277-C280 PolarHBondContact O-N 2.76Å; F277-L284 HydrophobicContact CB-CD2 4.06Å; F277-M287 HydrophobicContact CD1-CE 3.48Å; F277-M287 VanDerWaalsContact CD1-CE 3.48Å; F277-M287 HydrophobicContact CE1-CE 3.56Å; F277-M287 HydrophobicContact CG-CE 4.02Å; F277-M287 HydrophobicContact CZ-CE 4.15Å; F277-L295 HydrophobicContact CD2-CD1 4.2Å; F277-L295 HydrophobicContact CE2-CD1 4.08Å; F277-L295 HydrophobicContact CE2-CD2 4.31Å
278	C	84.6	Confident	82.9	Confident	59 Å²	59	51.7 Å²	51.7	40%	0.399	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-12.8	172.6	-67.7	0	0	0	0	114.7	W274 I275 A276	W274-C278 VanDerWaalsContact CE2-SG 3.56Å; W274-C278 PolarHBondContact NE1-SG 3.48Å; W274-C278 PolarHBondContact O-N 3.07Å; W274-C278 PolarHBondContact O-SG 2.85Å; I275-C278 WeakPolarHBondContact O-CB 3.46Å; I275-C278 PolarHBondContact O-N 3.33Å; A276-C278 VanDerWaalsContact C-N 3.27Å; A276-C278 PolarHBondContact O-N 2.86Å
279	Q	81.6	Confident	84.2	Confident	65 Å²	65	56.6 Å²	56.6	30%	0.304	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-10.3	171.2	-65.5	171.9	18.7	0	0	112.2	V223 I275 A276 F277	V223-Q279 HydrophobicContact CG1-CB 3.86Å; I275-Q279 PolarHBondContact O-N 3.45Å; A276-Q279 WeakPolarHBondContact O-CB 3.28Å; A276-Q279 PolarHBondContact O-N 2.82Å; F277-Q279 PolarHBondContact O-N 2.72Å
280	C	84.9	Confident	85.5	Confident	4 Å²	4	55.6 Å²	55.6	3%	0.027	29%	0.293	C	S	.	.			trans	-118	67.7	-177	-57.2	0	0	0	0	110.7	F220 F277 S282 L283 L284	F220-C280 HydrophobicContact CD1-CB 3.93Å; F220-C280 HydrophobicContact CE1-CB 4.39Å; F277-C280 CarbonylContact O-C 3.52Å; F277-C280 PolarHBondContact O-N 2.76Å; C280-S282 PolarHBondContact O-N 3.13Å; C280-S282 VanDerWaalsContact O-N 3.1Å; C280-L283 HydrophobicContact CB-CB 4.25Å; C280-L283 HydrophobicContact CB-CD1 3.97Å; C280-L283 HydrophobicContact CB-CG 4.1Å; C280-L283 WeakPolarHBondContact O-CB 3.13Å; C280-L283 PolarHBondContact O-N 3.4Å; C280-L284 PolarHBondContact O-N 3.44Å
281	E	83.3	Confident	86.4	Confident	148 Å²	148	56.9 Å²	56.9	69%	0.692	30%	0.299	S	S	*	.	H	α-helix	trans	-51.6	-36	-174.9	-64.1	179.5	176.2	0	0	114.1	L283 L284 Q285	E281-L283 VanDerWaalsContact C-N 3.34Å; E281-L283 PolarHBondContact O-N 3.15Å; E281-L284 PolarHBondContact O-N 3.05Å; E281-Q285 PolarHBondContact O-N 2.8Å
282	S	85.8	Confident	86.8	Confident	53 Å²	53	56.4 Å²	56.4	37%	0.371	30%	0.296	S	S	.	.	H	α-helix	trans	-62.5	-35	175.8	44.3	0	0	0	0	113.4	F220 C280 Q285	F220-S282 VanDerWaalsContact CE1-OG 3.26Å; F220-S282 WeakPolarHBondContact CE1-OG 3.44Å; F220-S282 WeakPolarHBondContact CZ-OG 3.41Å; C280-S282 PolarHBondContact O-N 3.13Å; C280-S282 VanDerWaalsContact O-N 3.1Å; S282-Q285 PolarHBondContact O-N 3.1Å
283	L	88.2	Confident	87.1	Confident	2 Å²	2	57.6 Å²	57.6	1%	0.01	30%	0.302	C	S	.	.	H	α-helix	trans	-75.4	-30.3	175.3	-62.3	-175.1	0	0	0	112.3	F220 L224 L248 P252 C280 E281 Q285 L286	F220-L283 HydrophobicContact CB-CD1 3.82Å; F220-L283 HydrophobicContact CD1-CD1 3.88Å; F220-L283 HydrophobicContact CD1-CG 3.98Å; F220-L283 HydrophobicContact CD2-CD1 4.09Å; F220-L283 HydrophobicContact CD2-CD2 3.9Å; F220-L283 HydrophobicContact CD2-CG 4.18Å; F220-L283 HydrophobicContact CE1-CG 4.14Å; F220-L283 HydrophobicContact CE2-CD2 3.9Å; F220-L283 HydrophobicContact CE2-CG 4.34Å; F220-L283 HydrophobicContact CG-CD1 3.64Å; F220-L283 HydrophobicContact CG-CD2 4.25Å; F220-L283 HydrophobicContact CG-CG 4.02Å; F220-L283 HydrophobicContact CZ-CD2 4.23Å; F220-L283 HydrophobicContact CZ-CG 4.33Å; L224-L283 HydrophobicContact CD1-CD1 3.74Å; L248-L283 HydrophobicContact CD2-CD1 3.98Å; L248-L283 WeakPolarHBondContact O-CD2 3.38Å; P252-L283 HydrophobicContact CB-CB 4.27Å; P252-L283 HydrophobicContact CB-CD1 4.34Å; P252-L283 HydrophobicContact CB-CD2 4.2Å; P252-L283 HydrophobicContact CG-CB 4.24Å; P252-L283 HydrophobicContact CG-CD2 4.37Å; C280-L283 HydrophobicContact CB-CB 4.25Å; C280-L283 HydrophobicContact CB-CD1 3.97Å; C280-L283 HydrophobicContact CB-CG 4.1Å; C280-L283 WeakPolarHBondContact O-CB 3.13Å; C280-L283 PolarHBondContact O-N 3.4Å; E281-L283 VanDerWaalsContact C-N 3.34Å; E281-L283 PolarHBondContact O-N 3.15Å; L283-Q285 VanDerWaalsContact C-N 3.25Å; L283-Q285 PolarHBondContact O-N 3.42Å; L283-L286 HydrophobicContact CD2-CD1 4.22Å; L283-L286 PolarHBondContact O-N 2.82Å
284	L	86.9	Confident	87.5	Confident	34 Å²	34	55.1 Å²	55.1	18%	0.178	29%	0.285	C	S	.	.	H	α-helix	trans	-67.3	-26.4	173.9	-69.9	-179.8	0	0	0	112.7	W274 F277 C280 E281 L286 M287 K292	W274-L284 HydrophobicContact CH2-CD2 3.81Å; W274-L284 HydrophobicContact CZ3-CD2 3.83Å; F277-L284 HydrophobicContact CB-CD2 4.06Å; C280-L284 PolarHBondContact O-N 3.44Å; E281-L284 PolarHBondContact O-N 3.05Å; L284-L286 VanDerWaalsContact C-N 3.32Å; L284-M287 HydrophobicContact CD2-CE 4.5Å; L284-M287 HydrophobicContact CD2-SD 4.22Å; L284-M287 PolarHBondContact O-N 2.99Å; L284-K292 WeakPolarHBondContact O-CE 3.32Å; L284-K292 PolarHBondContact O-NZ 3.15Å
285	Q	87.4	Confident	87.9	Confident	161 Å²	161	52.3 Å²	52.3	75%	0.752	28%	0.275	S	S	*	.	H	α-helix	trans	-72.4	-24.4	174.6	-67.3	175.8	13.2	0	0	112.9	E281 S282 L283	E281-Q285 PolarHBondContact O-N 2.8Å; S282-Q285 PolarHBondContact O-N 3.1Å; L283-Q285 VanDerWaalsContact C-N 3.25Å; L283-Q285 PolarHBondContact O-N 3.42Å
286	L	89	Confident	88.3	Confident	84 Å²	84	47.9 Å²	47.9	44%	0.44	25%	0.252	S	S	.	.	S	Bend	trans	-80.9	-14.5	175.5	-61.4	177.1	0	0	0	113.4	P252 L283 L284	P252-L286 HydrophobicContact CG-CB 4.05Å; P252-L286 HydrophobicContact CG-CD1 4.39Å; L283-L286 HydrophobicContact CD2-CD1 4.22Å; L283-L286 PolarHBondContact O-N 2.82Å; L284-L286 VanDerWaalsContact C-N 3.32Å
287	M	90.8	Very high	88.6	Confident	7 Å²	7	47.5 Å²	47.5	3%	0.034	25%	0.249	C	C	.	.	S	Bend	trans	-92.1	141.5	179.6	-60.6	179.9	-161.5	0	0	111.6	P252 W253 F277 L284 E291 K292 L295	P252-M287 HydrophobicContact CB-CE 4.04Å; P252-M287 HydrophobicContact CG-CE 3.9Å; P252-M287 HydrophobicContact CG-CG 4.17Å; W253-M287 HydrophobicContact CB-CE 4.34Å; W253-M287 HydrophobicContact CB-CG 4.36Å; W253-M287 HydrophobicContact CB-SD 4.09Å; F277-M287 HydrophobicContact CD1-CE 3.48Å; F277-M287 VanDerWaalsContact CD1-CE 3.48Å; F277-M287 HydrophobicContact CE1-CE 3.56Å; F277-M287 HydrophobicContact CG-CE 4.02Å; F277-M287 HydrophobicContact CZ-CE 4.15Å; L284-M287 HydrophobicContact CD2-CE 4.5Å; L284-M287 HydrophobicContact CD2-SD 4.22Å; L284-M287 PolarHBondContact O-N 2.99Å; M287-E291 HydrophobicContact CB-CB 4.48Å; M287-K292 HydrophobicContact CB-CG 4Å; M287-K292 WeakPolarHBondContact O-CE 3.42Å; M287-K292 PolarHBondContact O-NZ 2.95Å; M287-K292 HydrophobicContact SD-CG 4.36Å; M287-L295 HydrophobicContact CE-CD1 4.29Å; M287-L295 HydrophobicContact SD-CD1 3.79Å
288	T	91.4	Very high	88.9	Confident	72 Å²	72	47.7 Å²	47.7	44%	0.442	25%	0.25	S	C	.	.			trans	-68.8	159.6	162.5	67	0	0	0	0	110.9	L290 E291 K292	T288-L290 PolarHBondContact O-N 3.4Å; T288-E291 WeakPolarHBondContact CB-OE2 3.15Å; T288-E291 WeakPolarHBondContact CG2-OE2 3.28Å; T288-E291 PolarHBondContact N-OE2 3.47Å; T288-E291 PolarHBondContact O-N 2.78Å; T288-E291 WeakPolarHBondContact OG1-CG 3.41Å; T288-E291 PolarHBondContact OG1-N 3.36Å; T288-E291 PolarHBondContact OG1-OE2 3.22Å; T288-K292 WeakPolarHBondContact O-CG 3.06Å; T288-K292 PolarHBondContact O-N 2.85Å; T288-K292 VanDerWaalsContact O-N 3.13Å
289	D	89.2	Confident	89.1	Confident	108 Å²	108	47.4 Å²	47.4	58%	0.578	25%	0.248	S	C	*	.	H	α-helix	trans	-70.2	-22.1	176.7	-60.4	-30.9	0	0	0	112.6	K292 N293	D289-K292 WeakPolarHBondContact OD1-CD 3.42Å; D289-K292 IonicContact OD1-NZ 3.18Å; D289-K292 PolarHBondContact OD1-NZ 3.36Å; D289-N293 VanDerWaalsContact O-CB 3.29Å; D289-N293 WeakPolarHBondContact O-CB 3.35Å; D289-N293 PolarHBondContact O-N 2.82Å; D289-N293 PolarHBondContact O-ND2 3.4Å
290	L	91.8	Very high	89.5	Confident	67 Å²	67	47 Å²	47	35%	0.351	25%	0.245	S	C	.	.	H	α-helix	trans	-62.8	-47.3	169.8	178.4	61.9	0	0	0	111.2	T288 N293 A294 D333 F337	T288-L290 PolarHBondContact O-N 3.4Å; L290-N293 PolarHBondContact O-N 3.2Å; L290-A294 VanDerWaalsContact O-CB 3.3Å; L290-A294 WeakPolarHBondContact O-CB 3.19Å; L290-A294 PolarHBondContact O-N 2.75Å; L290-D333 HydrophobicContact CD1-CB 3.72Å; L290-F337 HydrophobicContact CD1-CB 4.3Å; L290-F337 HydrophobicContact CD2-CB 4.38Å; L290-F337 HydrophobicContact CD2-CD2 4.16Å; L290-F337 HydrophobicContact CD2-CG 4.43Å; L290-F337 HydrophobicContact CG-CB 4.38Å; L290-F337 HydrophobicContact CG-CG 4.4Å
291	E	91.8	Very high	89.8	Confident	26 Å²	26	46.9 Å²	46.9	12%	0.121	24%	0.244	C	C	.	.	H	α-helix	trans	-68.4	-38.9	-179.8	-67.8	150.7	156.7	0	0	111.6	W253 M287 T288 A294 L295 F337	W253-E291 HydrophobicContact CB-CB 4.19Å; W253-E291 HydrophobicContact CD2-CG 4.3Å; W253-E291 HydrophobicContact CG-CB 4.06Å; W253-E291 HydrophobicContact CG-CG 4.03Å; W253-E291 PolarHBondContact NE1-OE1 2.97Å; M287-E291 HydrophobicContact CB-CB 4.48Å; T288-E291 WeakPolarHBondContact CB-OE2 3.15Å; T288-E291 WeakPolarHBondContact CG2-OE2 3.28Å; T288-E291 PolarHBondContact N-OE2 3.47Å; T288-E291 PolarHBondContact O-N 2.78Å; T288-E291 WeakPolarHBondContact OG1-CG 3.41Å; T288-E291 PolarHBondContact OG1-N 3.36Å; T288-E291 PolarHBondContact OG1-OE2 3.22Å; E291-A294 PolarHBondContact O-N 3.08Å; E291-L295 WeakPolarHBondContact O-CG 2.96Å; E291-L295 PolarHBondContact O-N 2.85Å; E291-F337 HydrophobicContact CG-CE1 4.35Å; E291-F337 HydrophobicContact CG-CE2 4.39Å; E291-F337 HydrophobicContact CG-CZ 3.86Å
292	K	91.1	Very high	90.1	Very high	43 Å²	43	43 Å²	43	19%	0.187	23%	0.225	C	C	.	.	H	α-helix	trans	-60.4	-49.1	172.8	-65.5	166.5	-152.7	157.9	0	111.4	W274 L284 M287 T288 D289 A294 L295 I296	W274-K292 HydrophobicContact CH2-CB 3.85Å; W274-K292 HydrophobicContact CH2-CG 3.98Å; W274-K292 HydrophobicContact CZ3-CB 4Å; W274-K292 HydrophobicContact CZ3-CG 4.12Å; L284-K292 WeakPolarHBondContact O-CE 3.32Å; L284-K292 PolarHBondContact O-NZ 3.15Å; M287-K292 HydrophobicContact CB-CG 4Å; M287-K292 WeakPolarHBondContact O-CE 3.42Å; M287-K292 PolarHBondContact O-NZ 2.95Å; M287-K292 HydrophobicContact SD-CG 4.36Å; T288-K292 WeakPolarHBondContact O-CG 3.06Å; T288-K292 PolarHBondContact O-N 2.85Å; T288-K292 VanDerWaalsContact O-N 3.13Å; D289-K292 WeakPolarHBondContact OD1-CD 3.42Å; D289-K292 IonicContact OD1-NZ 3.18Å; D289-K292 PolarHBondContact OD1-NZ 3.36Å; K292-A294 VanDerWaalsContact C-N 3.33Å; K292-A294 PolarHBondContact O-N 3.04Å; K292-L295 PolarHBondContact O-N 3.34Å; K292-I296 VanDerWaalsContact O-CG1 3.31Å; K292-I296 WeakPolarHBondContact O-CG1 3.4Å; K292-I296 PolarHBondContact O-N 3.03Å
293	N	91.7	Very high	90.2	Very high	28 Å²	28	44.4 Å²	44.4	15%	0.15	23%	0.226	C	C	.	.	H	α-helix	trans	-65	-37	178.5	-73.4	-42.1	0	0	0	111.9	D289 L290 I296 M297 M326 S334	D289-N293 VanDerWaalsContact O-CB 3.29Å; D289-N293 WeakPolarHBondContact O-CB 3.35Å; D289-N293 PolarHBondContact O-N 2.82Å; D289-N293 PolarHBondContact O-ND2 3.4Å; L290-N293 PolarHBondContact O-N 3.2Å; N293-I296 PolarHBondContact O-N 3.34Å; N293-M297 VanDerWaalsContact O-CB 3.27Å; N293-M297 WeakPolarHBondContact O-CB 3.4Å; N293-M297 PolarHBondContact O-N 3.1Å; N293-M326 HydrophobicContact CB-CE 3.88Å; N293-M326 HydrophobicContact CB-SD 4.29Å; N293-M326 WeakPolarHBondContact O-CE 3.4Å; N293-S334 WeakPolarHBondContact CB-OG 3.46Å
294	A	92.3	Very high	90.3	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-62.1	-44.2	172.6	0	0	0	0	0	112.8	L290 E291 K292 M297 Y298 F337 L338	L290-A294 VanDerWaalsContact O-CB 3.3Å; L290-A294 WeakPolarHBondContact O-CB 3.19Å; L290-A294 PolarHBondContact O-N 2.75Å; E291-A294 PolarHBondContact O-N 3.08Å; K292-A294 VanDerWaalsContact C-N 3.33Å; K292-A294 PolarHBondContact O-N 3.04Å; A294-M297 PolarHBondContact O-N 2.82Å; A294-Y298 VanDerWaalsContact O-CB 3.31Å; A294-Y298 WeakPolarHBondContact O-CB 3.38Å; A294-Y298 PolarHBondContact O-N 3.38Å; A294-F337 HydrophobicContact CB-CD1 3.59Å; A294-F337 HydrophobicContact CB-CE1 3.95Å; A294-L338 HydrophobicContact CB-CD2 3.92Å; A294-L338 HydrophobicContact CB-CG 3.97Å
295	L	91.2	Very high	90.4	Very high	8 Å²	8	43.8 Å²	43.8	4%	0.042	22%	0.223	C	C	.	.	H	α-helix	trans	-61.7	-46.8	174.8	-74	169.6	0	0	0	112	W253 F257 W274 F277 M287 E291 K292 Y298 S299	W253-L295 HydrophobicContact CB-CD1 3.94Å; W253-L295 HydrophobicContact CB-CG 4.49Å; F257-L295 HydrophobicContact CD2-CD2 4.16Å; F257-L295 HydrophobicContact CE1-CD2 4.4Å; F257-L295 HydrophobicContact CE2-CD2 3.55Å; F257-L295 HydrophobicContact CE2-CG 4.21Å; F257-L295 HydrophobicContact CZ-CD2 3.7Å; F257-L295 HydrophobicContact CZ-CG 4.22Å; W274-L295 HydrophobicContact CE3-CB 4.04Å; W274-L295 HydrophobicContact CE3-CD1 4.35Å; W274-L295 HydrophobicContact CZ3-CB 4.5Å; W274-L295 HydrophobicContact CZ3-CD1 4.39Å; F277-L295 HydrophobicContact CD2-CD1 4.2Å; F277-L295 HydrophobicContact CE2-CD1 4.08Å; F277-L295 HydrophobicContact CE2-CD2 4.31Å; M287-L295 HydrophobicContact CE-CD1 4.29Å; M287-L295 HydrophobicContact SD-CD1 3.79Å; E291-L295 WeakPolarHBondContact O-CG 2.96Å; E291-L295 PolarHBondContact O-N 2.85Å; K292-L295 PolarHBondContact O-N 3.34Å; L295-Y298 PolarHBondContact O-N 3.03Å; L295-S299 VanDerWaalsContact O-CB 3.25Å; L295-S299 WeakPolarHBondContact O-CB 3.47Å; L295-S299 PolarHBondContact O-N 3.26Å
296	I	90.7	Very high	90.4	Very high	27 Å²	27	41.5 Å²	41.5	14%	0.138	21%	0.207	C	C	.	.	H	α-helix	trans	-59.7	-47.5	176.2	-66.6	164.4	0	0	0	110.3	W274 K292 N293 K300 L322 H325 M326	W274-I296 HydrophobicContact CD2-CD1 4.35Å; W274-I296 HydrophobicContact CD2-CG1 3.66Å; W274-I296 HydrophobicContact CE3-CG1 4.07Å; W274-I296 HydrophobicContact CG-CG1 4.08Å; W274-I296 HydrophobicContact CH2-CD1 4.17Å; W274-I296 HydrophobicContact CH2-CG1 4.39Å; W274-I296 HydrophobicContact CZ2-CD1 3.75Å; W274-I296 HydrophobicContact CZ2-CG1 4.01Å; W274-I296 HydrophobicContact CZ3-CG1 4.41Å; K292-I296 VanDerWaalsContact O-CG1 3.31Å; K292-I296 WeakPolarHBondContact O-CG1 3.4Å; K292-I296 PolarHBondContact O-N 3.03Å; N293-I296 PolarHBondContact O-N 3.34Å; I296-K300 VanDerWaalsContact O-CB 3.3Å; I296-K300 WeakPolarHBondContact O-CB 3.27Å; I296-K300 PolarHBondContact O-N 2.92Å; I296-L322 HydrophobicContact CG2-CD2 4Å; I296-H325 HydrophobicContact CG2-CB 4.5Å; I296-M326 HydrophobicContact CB-CE 4.09Å; I296-M326 HydrophobicContact CG2-CE 3.9Å
297	M	91.7	Very high	90.2	Very high	2 Å²	2	41.3 Å²	41.3	1%	0.01	20%	0.204	C	C	.	.	H	α-helix	trans	-63.5	-45.6	-179.9	177.1	175.4	-69	0	0	112.3	N293 A294 K300 L301 L318 L322 M326 A331 L335 L338	N293-M297 VanDerWaalsContact O-CB 3.27Å; N293-M297 WeakPolarHBondContact O-CB 3.4Å; N293-M297 PolarHBondContact O-N 3.1Å; A294-M297 PolarHBondContact O-N 2.82Å; M297-K300 PolarHBondContact O-N 3.47Å; M297-L301 WeakPolarHBondContact O-CB 3.41Å; M297-L301 PolarHBondContact O-N 2.95Å; M297-L318 HydrophobicContact CG-CD2 3.96Å; M297-L318 HydrophobicContact CG-CG 4.41Å; M297-L318 HydrophobicContact SD-CD2 4.13Å; M297-L322 HydrophobicContact CB-CD1 3.97Å; M297-L322 HydrophobicContact CE-CD1 3.95Å; M297-L322 HydrophobicContact CG-CD1 3.93Å; M297-M326 HydrophobicContact CB-CE 4.47Å; M297-M326 HydrophobicContact CE-SD 3.93Å; M297-A331 HydrophobicContact CE-CB 3.68Å; M297-A331 VanDerWaalsContact CE-O 3.27Å; M297-A331 WeakPolarHBondContact CE-O 3.3Å; M297-L335 HydrophobicContact SD-CB 3.91Å; M297-L335 HydrophobicContact SD-CD1 4.32Å; M297-L338 HydrophobicContact CB-CD1 4.12Å; M297-L338 HydrophobicContact CG-CD1 3.91Å; M297-L338 HydrophobicContact SD-CD1 3.89Å
298	Y	91.2	Very high	90.1	Very high	4 Å²	4	44.6 Å²	44.6	2%	0.016	22%	0.219	C	C	.	.	H	α-helix	trans	-66.3	-43.4	179.9	-177.2	-110.7	0	0	0	111.8	F257 A294 L295 K300 L301 K302 L338 V343 V344	F257-Y298 AromaticContact CD1-CD1 3.48Å; F257-Y298 HydrophobicContact CD1-CD1 3.48Å; F257-Y298 VanDerWaalsContact CD1-CD1 3.48Å; F257-Y298 HydrophobicContact CD1-CD2 4.42Å; F257-Y298 AromaticContact CD1-CE1 3.64Å; F257-Y298 HydrophobicContact CD1-CE1 3.64Å; F257-Y298 AromaticContact CD1-CG 3.9Å; F257-Y298 HydrophobicContact CD1-CG 3.9Å; F257-Y298 AromaticContact CE1-CD1 3.57Å; F257-Y298 HydrophobicContact CE1-CD1 3.57Å; F257-Y298 HydrophobicContact CE1-CD2 4.28Å; F257-Y298 HydrophobicContact CE1-CE1 4.2Å; F257-Y298 AromaticContact CE1-CG 3.61Å; F257-Y298 HydrophobicContact CE1-CG 3.61Å; A294-Y298 VanDerWaalsContact O-CB 3.31Å; A294-Y298 WeakPolarHBondContact O-CB 3.38Å; A294-Y298 PolarHBondContact O-N 3.38Å; L295-Y298 PolarHBondContact O-N 3.03Å; Y298-K300 VanDerWaalsContact C-N 3.31Å; Y298-K300 PolarHBondContact O-N 2.9Å; Y298-L301 PolarHBondContact O-N 3.43Å; Y298-K302 HydrophobicContact CD1-CD 3.97Å; Y298-K302 HydrophobicContact CE1-CD 3.47Å; Y298-K302 VanDerWaalsContact CE1-CD 3.47Å; Y298-K302 HydrophobicContact CE2-CD 4.21Å; Y298-K302 WeakPolarHBondContact O-CG 3.44Å; Y298-K302 PolarHBondContact O-N 2.84Å; Y298-L338 HydrophobicContact CD2-CD2 4.47Å; Y298-L338 HydrophobicContact CG-CD2 4.42Å; Y298-V343 HydrophobicContact CD2-CB 4.49Å; Y298-V343 HydrophobicContact CD2-CG2 3.98Å; Y298-V343 HydrophobicContact CE2-CB 3.92Å; Y298-V343 HydrophobicContact CE2-CG2 3.92Å; Y298-V344 HydrophobicContact CD2-CG1 3.98Å; Y298-V344 HydrophobicContact CE2-CG1 4.27Å
299	S	88.7	Confident	90	Very high	52 Å²	52	41.3 Å²	41.3	36%	0.364	20%	0.199	S	C	.	.	H	α-helix	trans	-58.6	-43.4	172.5	-171.1	0	0	0	0	111.2	L295 K302 Q303	L295-S299 VanDerWaalsContact O-CB 3.25Å; L295-S299 WeakPolarHBondContact O-CB 3.47Å; L295-S299 PolarHBondContact O-N 3.26Å; S299-K302 PolarHBondContact O-N 2.76Å; S299-Q303 WeakPolarHBondContact O-CB 3.16Å; S299-Q303 PolarHBondContact O-N 2.98Å
300	K	90.3	Very high	90.2	Very high	58 Å²	58	37.2 Å²	37.2	25%	0.252	18%	0.177	S	C	.	.	H	α-helix	trans	-68.9	-40.2	179.1	-167.9	60.4	178.4	176.8	0	113.2	I296 M297 Y298 Q303 I304 T321 L322	I296-K300 VanDerWaalsContact O-CB 3.3Å; I296-K300 WeakPolarHBondContact O-CB 3.27Å; I296-K300 PolarHBondContact O-N 2.92Å; M297-K300 PolarHBondContact O-N 3.47Å; Y298-K300 VanDerWaalsContact C-N 3.31Å; Y298-K300 PolarHBondContact O-N 2.9Å; K300-Q303 VanDerWaalsContact CD-OE1 3.32Å; K300-Q303 WeakPolarHBondContact O-CB 3.43Å; K300-Q303 PolarHBondContact O-N 3.12Å; K300-I304 HydrophobicContact CG-CD1 4.09Å; K300-I304 VanDerWaalsContact O-CG1 3.31Å; K300-I304 WeakPolarHBondContact O-CG1 2.93Å; K300-I304 PolarHBondContact O-N 2.81Å; K300-T321 HydrophobicContact CD-CG2 4.47Å; K300-T321 HydrophobicContact CG-CG2 4.37Å; K300-L322 HydrophobicContact CB-CD2 3.95Å; K300-L322 HydrophobicContact CG-CD2 3.86Å; K300-L322 HydrophobicContact CG-CG 4.3Å
301	L	91.5	Very high	90.3	Very high	1 Å²	1	34 Å²	34	1%	0.005	16%	0.16	C	C	.	.	H	α-helix	trans	-58.4	-50	173.1	175.9	63.6	0	0	0	110.6	M297 Y298 Q303 I304 C305 V313 L318 V344 V351 P353	M297-L301 WeakPolarHBondContact O-CB 3.41Å; M297-L301 PolarHBondContact O-N 2.95Å; Y298-L301 PolarHBondContact O-N 3.43Å; L301-Q303 VanDerWaalsContact C-N 3.33Å; L301-Q303 PolarHBondContact O-N 3.33Å; L301-I304 PolarHBondContact O-N 3.26Å; L301-C305 WeakPolarHBondContact O-CB 3.33Å; L301-C305 PolarHBondContact O-N 3.48Å; L301-C305 PolarHBondContact O-SG 2.97Å; L301-C305 VanDerWaalsContact O-SG 3.42Å; L301-V313 HydrophobicContact CD1-CB 3.85Å; L301-V313 HydrophobicContact CD1-CG2 3.65Å; L301-L318 HydrophobicContact CB-CD1 4.27Å; L301-L318 HydrophobicContact CD1-CD2 4.38Å; L301-V344 HydrophobicContact CD2-CG1 3.69Å; L301-V351 HydrophobicContact CD2-CG1 3.84Å; L301-P353 HydrophobicContact CD2-CG 4.11Å; L301-P353 HydrophobicContact CG-CG 4.08Å
302	K	88.9	Confident	90.4	Very high	67 Å²	67	34.1 Å²	34.1	29%	0.291	16%	0.159	S	C	.	.	H	α-helix	trans	-61	-39.3	176.1	-71.8	178.4	71.9	175.6	0	112.2	E271 Y298 S299 R306	E271-K302 IonicContact OE1-NZ 2.82Å; E271-K302 PolarHBondContact OE1-NZ 2.94Å; E271-K302 IonicContact OE2-NZ 3.68Å; E271-K302 PolarHBondContact OE2-NZ 2.75Å; Y298-K302 HydrophobicContact CD1-CD 3.97Å; Y298-K302 HydrophobicContact CE1-CD 3.47Å; Y298-K302 VanDerWaalsContact CE1-CD 3.47Å; Y298-K302 HydrophobicContact CE2-CD 4.21Å; Y298-K302 WeakPolarHBondContact O-CG 3.44Å; Y298-K302 PolarHBondContact O-N 2.84Å; S299-K302 PolarHBondContact O-N 2.76Å; K302-R306 VanDerWaalsContact O-CB 3.27Å; K302-R306 WeakPolarHBondContact O-CB 3.32Å; K302-R306 PolarHBondContact O-N 2.92Å
303	Q	88.1	Confident	90.6	Very high	81 Å²	81	32.2 Å²	32.2	38%	0.379	15%	0.151	S	C	.	.	H	α-helix	trans	-60.2	-51.9	174	-174.2	-173.1	14.3	0	0	111.5	S299 K300 L301 C305 R306 E307	S299-Q303 WeakPolarHBondContact O-CB 3.16Å; S299-Q303 PolarHBondContact O-N 2.98Å; K300-Q303 VanDerWaalsContact CD-OE1 3.32Å; K300-Q303 WeakPolarHBondContact O-CB 3.43Å; K300-Q303 PolarHBondContact O-N 3.12Å; L301-Q303 VanDerWaalsContact C-N 3.33Å; L301-Q303 PolarHBondContact O-N 3.33Å; Q303-C305 PolarHBondContact O-N 3.4Å; Q303-R306 PolarHBondContact O-N 3.33Å; Q303-E307 HydrophobicContact CG-CG 4.29Å; Q303-E307 VanDerWaalsContact CG-OE1 3.3Å; Q303-E307 WeakPolarHBondContact CG-OE1 3.41Å; Q303-E307 PolarHBondContact NE2-OE1 2.94Å; Q303-E307 WeakPolarHBondContact O-CB 3.47Å; Q303-E307 PolarHBondContact O-N 3.02Å
304	I	90.3	Very high	90.6	Very high	21 Å²	21	34.2 Å²	34.2	11%	0.108	16%	0.16	C	C	.	.	H	α-helix	trans	-61.2	-46.1	-178.5	-65.1	163	0	0	0	110.4	K300 L301 H308 V313 L318 T321	K300-I304 HydrophobicContact CG-CD1 4.09Å; K300-I304 VanDerWaalsContact O-CG1 3.31Å; K300-I304 WeakPolarHBondContact O-CG1 2.93Å; K300-I304 PolarHBondContact O-N 2.81Å; L301-I304 PolarHBondContact O-N 3.26Å; I304-H308 PolarHBondContact O-N 3.06Å; I304-H308 PolarHBondContact O-ND1 2.91Å; I304-V313 HydrophobicContact CB-CG2 4.06Å; I304-V313 HydrophobicContact CG2-CG1 4.47Å; I304-V313 HydrophobicContact CG2-CG2 3.55Å; I304-L318 HydrophobicContact CD1-CD1 4.08Å; I304-T321 HydrophobicContact CD1-CG2 4.07Å
305	C	90.4	Very high	90.6	Very high	3 Å²	3	35.8 Å²	35.8	2%	0.02	17%	0.17	C	C	.	.	H	α-helix	trans	-56.4	-49.2	175.4	-76.9	0	0	0	0	112.4	L301 Q303 G309 H310	L301-C305 WeakPolarHBondContact O-CB 3.33Å; L301-C305 PolarHBondContact O-N 3.48Å; L301-C305 PolarHBondContact O-SG 2.97Å; L301-C305 VanDerWaalsContact O-SG 3.42Å; Q303-C305 PolarHBondContact O-N 3.4Å; C305-G309 CarbonylContact O-C 3.39Å; C305-G309 WeakPolarHBondContact O-CA 3.25Å; C305-G309 PolarHBondContact O-N 3.42Å; C305-H310 VanDerWaalsContact CA-O 3.27Å; C305-H310 WeakPolarHBondContact CA-O 3.47Å; C305-H310 WeakPolarHBondContact CB-O 3.32Å; C305-H310 PolarHBondContact O-N 2.95Å; C305-H310 PolarHBondContact SG-O 2.92Å
306	R	85.6	Confident	90.5	Very high	113 Å²	113	40.6 Å²	40.6	43%	0.426	20%	0.195	S	C	.	.	H	α-helix	trans	-67.5	-46.2	-179.6	-176	174.2	175.8	169.1	-3.7	112.6	D38 K302 Q303 H308	D38-R306 IonicContact OD2-CZ 2.72Å; D38-R306 IonicContact OD2-NE 3.95Å; D38-R306 IonicContact OD2-NH2 2.76Å; D38-R306 PolarHBondContact OD2-NH2 3.48Å; K302-R306 VanDerWaalsContact O-CB 3.27Å; K302-R306 WeakPolarHBondContact O-CB 3.32Å; K302-R306 PolarHBondContact O-N 2.92Å; Q303-R306 PolarHBondContact O-N 3.33Å; R306-H308 VanDerWaalsContact C-N 3.33Å; R306-H308 PolarHBondContact O-N 3.14Å
307	E	85.8	Confident	90.4	Very high	80 Å²	80	42.1 Å²	42.1	37%	0.374	20%	0.203	S	C	.	.	H	α-helix	trans	-67.8	-29.4	-176.6	-78.2	-162.6	-132.2	0	0	114.2	Q303 R906	Q303-E307 HydrophobicContact CG-CG 4.29Å; Q303-E307 VanDerWaalsContact CG-OE1 3.3Å; Q303-E307 WeakPolarHBondContact CG-OE1 3.41Å; Q303-E307 PolarHBondContact NE2-OE1 2.94Å; Q303-E307 WeakPolarHBondContact O-CB 3.47Å; Q303-E307 PolarHBondContact O-N 3.02Å; E307-R906 IonicContact OE2-CZ 3.16Å; E307-R906 IonicContact OE2-NH1 2.72Å; E307-R906 PolarHBondContact OE2-NH1 2.66Å; E307-R906 IonicContact OE2-NH2 2.87Å; E307-R906 PolarHBondContact OE2-NH2 2.7Å
308	H	88	Confident	90.3	Very high	76 Å²	76	42.1 Å²	42.1	35%	0.352	20%	0.204	S	C	.	.	H	α-helix	trans	-112.8	2.8	-176.8	-51.6	87.9	0	0	0	113.1	I304 R306 H310	I304-H308 PolarHBondContact O-N 3.06Å; I304-H308 PolarHBondContact O-ND1 2.91Å; R306-H308 VanDerWaalsContact C-N 3.33Å; R306-H308 PolarHBondContact O-N 3.14Å; H308-H310 VanDerWaalsContact CB-CE1 3.41Å; H308-H310 WeakPolarHBondContact CB-CE1 3.34Å; H308-H310 WeakPolarHBondContact CB-ND1 3.4Å; H308-H310 PolarHBondContact O-N 3.37Å; H308-H310 PolarHBondContact O-ND1 2.92Å
309	G	89.6	Confident	90.2	Very high	2 Å²	2	42.9 Å²	42.9	2%	0.021	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.6	21.2	-175	0	0	0	0	0	114.9	C305 P630 G631 R943	C305-G309 CarbonylContact O-C 3.39Å; C305-G309 WeakPolarHBondContact O-CA 3.25Å; C305-G309 PolarHBondContact O-N 3.42Å; G309-P630 WeakPolarHBondContact O-CA 3.5Å; G309-G631 PolarHBondContact O-N 3.3Å; G309-R943 WeakPolarHBondContact O-CD 3.49Å
310	H	94.1	Very high	90.1	Very high	22 Å²	22	46.3 Å²	46.3	10%	0.102	22%	0.222	C	C	.	.			trans	-80.5	143.1	-179.1	-63.7	6.9	0	0	0	111.3	C305 H308 Y312 P942 K944	C305-H310 VanDerWaalsContact CA-O 3.27Å; C305-H310 WeakPolarHBondContact CA-O 3.47Å; C305-H310 WeakPolarHBondContact CB-O 3.32Å; C305-H310 PolarHBondContact O-N 2.95Å; C305-H310 PolarHBondContact SG-O 2.92Å; H308-H310 VanDerWaalsContact CB-CE1 3.41Å; H308-H310 WeakPolarHBondContact CB-CE1 3.34Å; H308-H310 WeakPolarHBondContact CB-ND1 3.4Å; H308-H310 PolarHBondContact O-N 3.37Å; H308-H310 PolarHBondContact O-ND1 2.92Å; H310-Y312 WeakPolarHBondContact CB-O 3.13Å; H310-P942 PolarHBondContact CE1-O 2.75Å; H310-P942 VanDerWaalsContact CE1-O 3.28Å; H310-K944 WeakPolarHBondContact CA-O 3.48Å; H310-K944 HydrophobicContact CB-CB 4.12Å; H310-K944 PolarHBondContact ND1-N 2.93Å
311	T	93.4	Very high	90	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.23	C	C	.	.	S	Bend	trans	-93.2	-12.1	170.2	54.6	0	0	0	0	113	P353 L356 E360 V597 P630 K944 T945	T311-P353 WeakPolarHBondContact O-CD 3.49Å; T311-L356 HydrophobicContact CG2-CB 4.26Å; T311-L356 HydrophobicContact CG2-CD1 4.38Å; T311-E360 WeakPolarHBondContact CB-OE1 3.43Å; T311-E360 HydrophobicContact CG2-CG 4.34Å; T311-E360 WeakPolarHBondContact CG2-OE1 3.47Å; T311-E360 VanDerWaalsContact OG1-CD 3.25Å; T311-E360 PolarHBondContact OG1-OE1 3.22Å; T311-V597 HydrophobicContact CG2-CG2 4.34Å; T311-P630 HydrophobicContact CG2-CB 4.13Å; T311-K944 PolarHBondContact N-O 3.19Å; T311-K944 PolarHBondContact OG1-O 3.38Å; T311-T945 HydrophobicContact CG2-CG2 4.41Å; T311-T945 WeakPolarHBondContact OG1-CA 3.38Å
312	Y	94.5	Very high	89.8	Confident	28 Å²	28	46.8 Å²	46.8	11%	0.11	23%	0.23	C	C	.	.			trans	-141.8	161.8	172.8	77.7	-96.9	0	0	0	113.2	H310 E314 C350 V351 F352 K944 T945 R946	H310-Y312 WeakPolarHBondContact CB-O 3.13Å; Y312-E314 HydrophobicContact CE2-CG 4.2Å; Y312-C350 HydrophobicContact CD2-CB 3.55Å; Y312-C350 VanDerWaalsContact CD2-SG 3.55Å; Y312-C350 HydrophobicContact CE2-CB 4.03Å; Y312-C350 WeakPolarHBondContact CE2-SG 3.31Å; Y312-C350 HydrophobicContact CG-CB 4.06Å; Y312-V351 VanDerWaalsContact CA-O 3.28Å; Y312-V351 WeakPolarHBondContact CA-O 3.26Å; Y312-V351 WeakPolarHBondContact CB-O 3.32Å; Y312-F352 VanDerWaalsContact CB-CD1 3.49Å; Y312-F352 HydrophobicContact CD1-CE1 4.02Å; Y312-F352 HydrophobicContact CD1-CZ 4.45Å; Y312-F352 HydrophobicContact CG-CD1 4.49Å; Y312-F352 HydrophobicContact CG-CE1 4.04Å; Y312-F352 HydrophobicContact CG-CZ 4.29Å; Y312-K944 HydrophobicContact CD1-CB 4.04Å; Y312-K944 HydrophobicContact CD2-CB 4.27Å; Y312-K944 HydrophobicContact CD2-CD 4.48Å; Y312-K944 VanDerWaalsContact CE1-C 3.48Å; Y312-K944 HydrophobicContact CE1-CB 3.73Å; Y312-K944 HydrophobicContact CE2-CB 3.95Å; Y312-K944 HydrophobicContact CE2-CD 3.93Å; Y312-K944 HydrophobicContact CE2-CG 4.34Å; Y312-K944 HydrophobicContact CG-CB 4.31Å; Y312-T945 WeakPolarHBondContact CE1-O 3.4Å; Y312-R946 HydrophobicContact CD1-CG 3.88Å; Y312-R946 HydrophobicContact CE1-CG 3.86Å
313	V	94.4	Very high	89.6	Confident	3 Å²	3	47.2 Å²	47.2	2%	0.018	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	146.5	169	-175.3	0	0	0	0	107.9	L301 I304 D317 L318 V351	L301-V313 HydrophobicContact CD1-CB 3.85Å; L301-V313 HydrophobicContact CD1-CG2 3.65Å; I304-V313 HydrophobicContact CB-CG2 4.06Å; I304-V313 HydrophobicContact CG2-CG1 4.47Å; I304-V313 HydrophobicContact CG2-CG2 3.55Å; V313-D317 HydrophobicContact CG1-CB 3.73Å; V313-L318 HydrophobicContact CG1-CB 3.97Å; V313-V351 PolarHBondContact N-O 3.18Å; V313-V351 PolarHBondContact O-N 2.83Å
314	E	92.9	Very high	89.4	Confident	70 Å²	70	50.5 Å²	50.5	33%	0.327	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	147.4	175	-77.7	151.9	-115	0	0	110.8	Y312 N316 D317 L318 K944	Y312-E314 HydrophobicContact CE2-CG 4.2Å; E314-N316 PolarHBondContact O-N 3.05Å; E314-D317 HydrophobicContact CB-CB 4.4Å; E314-D317 PolarHBondContact O-N 3.44Å; E314-L318 PolarHBondContact O-N 2.71Å; E314-K944 IonicContact OE1-NZ 3.27Å; E314-K944 PolarHBondContact OE1-NZ 3.37Å
315	V	91.1	Very high	88.9	Confident	34 Å²	34	55.6 Å²	55.6	21%	0.206	29%	0.285	C	S	.	.	H	α-helix	trans	-55.2	-40.2	-179.1	175.1	0	0	0	0	111	L318 T319 L335 A349 V351	V315-L318 PolarHBondContact O-N 3.33Å; V315-T319 HydrophobicContact CG1-CG2 4.22Å; V315-T319 WeakPolarHBondContact O-CB 3.44Å; V315-T319 VanDerWaalsContact O-CG2 3.28Å; V315-T319 WeakPolarHBondContact O-CG2 3.48Å; V315-T319 PolarHBondContact O-N 3.26Å; V315-T319 PolarHBondContact O-OG1 3.02Å; V315-L335 HydrophobicContact CG1-CD2 4.2Å; V315-L335 HydrophobicContact CG2-CD2 3.9Å; V315-A349 WeakPolarHBondContact CG2-O 3.26Å; V315-A349 PolarHBondContact N-O 2.9Å; V315-V351 HydrophobicContact CG2-CG2 3.54Å
316	N	88.7	Confident	88.7	Confident	108 Å²	108	56.3 Å²	56.3	58%	0.578	29%	0.288	S	S	*	.	H	α-helix	trans	-66.1	-48.3	178.8	-62.8	-0.8	0	0	0	111.5	E314 L318 T319 L320	E314-N316 PolarHBondContact O-N 3.05Å; N316-L318 VanDerWaalsContact C-N 3.31Å; N316-L318 PolarHBondContact O-N 2.87Å; N316-T319 WeakPolarHBondContact CA-OG1 3.4Å; N316-T319 PolarHBondContact O-N 2.93Å; N316-T319 PolarHBondContact O-OG1 3.35Å; N316-T319 VanDerWaalsContact O-OG1 3.09Å; N316-L320 VanDerWaalsContact O-CB 3.28Å; N316-L320 WeakPolarHBondContact O-CB 3.46Å; N316-L320 WeakPolarHBondContact O-CD1 3.47Å; N316-L320 WeakPolarHBondContact O-CG 3.32Å; N316-L320 PolarHBondContact O-N 2.99Å
317	D	89.1	Confident	88.9	Confident	59 Å²	59	54.4 Å²	54.4	32%	0.316	29%	0.292	S	S	.	.	H	α-helix	trans	-55.5	-46	175.2	-67.2	-10.5	0	0	0	111.7	V313 E314 T321 K944	V313-D317 HydrophobicContact CG1-CB 3.73Å; E314-D317 HydrophobicContact CB-CB 4.4Å; E314-D317 PolarHBondContact O-N 3.44Å; D317-T321 VanDerWaalsContact O-CB 3.28Å; D317-T321 WeakPolarHBondContact O-CB 3.37Å; D317-T321 PolarHBondContact O-N 3.46Å; D317-T321 PolarHBondContact O-OG1 3.27Å; D317-K944 IonicContact OD2-NZ 3.41Å; D317-K944 PolarHBondContact OD2-NZ 2.87Å
318	L	89.9	Confident	88.9	Confident	3 Å²	3	57.4 Å²	57.4	2%	0.016	30%	0.304	C	S	.	.	H	α-helix	trans	-68.7	-44.2	-176.4	-176.6	62	0	0	0	111.8	M297 L301 I304 V313 E314 V315 N316 T321 L322	M297-L318 HydrophobicContact CG-CD2 3.96Å; M297-L318 HydrophobicContact CG-CG 4.41Å; M297-L318 HydrophobicContact SD-CD2 4.13Å; L301-L318 HydrophobicContact CB-CD1 4.27Å; L301-L318 HydrophobicContact CD1-CD2 4.38Å; I304-L318 HydrophobicContact CD1-CD1 4.08Å; V313-L318 HydrophobicContact CG1-CB 3.97Å; E314-L318 PolarHBondContact O-N 2.71Å; V315-L318 PolarHBondContact O-N 3.33Å; N316-L318 VanDerWaalsContact C-N 3.31Å; N316-L318 PolarHBondContact O-N 2.87Å; L318-T321 PolarHBondContact O-N 3.43Å; L318-L322 HydrophobicContact CD1-CD1 4.05Å; L318-L322 HydrophobicContact CG-CD1 4.14Å; L318-L322 WeakPolarHBondContact O-CB 3.47Å; L318-L322 WeakPolarHBondContact O-CD1 3.27Å; L318-L322 WeakPolarHBondContact O-CG 3.47Å; L318-L322 PolarHBondContact O-N 2.92Å
319	T	88.3	Confident	88.9	Confident	20 Å²	20	60.1 Å²	60.1	12%	0.123	32%	0.317	C	S	.	.	H	α-helix	trans	-68.2	-42.1	178.3	50.2	0	0	0	0	112	V315 N316 T321 L322 S323 F328 A331	V315-T319 HydrophobicContact CG1-CG2 4.22Å; V315-T319 WeakPolarHBondContact O-CB 3.44Å; V315-T319 VanDerWaalsContact O-CG2 3.28Å; V315-T319 WeakPolarHBondContact O-CG2 3.48Å; V315-T319 PolarHBondContact O-N 3.26Å; V315-T319 PolarHBondContact O-OG1 3.02Å; N316-T319 WeakPolarHBondContact CA-OG1 3.4Å; N316-T319 PolarHBondContact O-N 2.93Å; N316-T319 PolarHBondContact O-OG1 3.35Å; N316-T319 VanDerWaalsContact O-OG1 3.09Å; T319-T321 VanDerWaalsContact C-N 3.31Å; T319-T321 PolarHBondContact O-N 3.23Å; T319-L322 CarbonylContact O-C 3.54Å; T319-L322 PolarHBondContact O-N 2.66Å; T319-S323 PolarHBondContact O-N 3.48Å; T319-S323 VanDerWaalsContact O-N 3.13Å; T319-F328 HydrophobicContact CG2-CD2 4.38Å; T319-F328 HydrophobicContact CG2-CE2 4.39Å; T319-A331 HydrophobicContact CG2-CB 3.91Å
320	L	87.8	Confident	88.9	Confident	123 Å²	123	61.1 Å²	61.1	64%	0.644	33%	0.325	S	S	*	.	H	α-helix	trans	-61.4	-38.5	173	-71.6	169.3	0	0	0	112	N316 L322 S323	N316-L320 VanDerWaalsContact O-CB 3.28Å; N316-L320 WeakPolarHBondContact O-CB 3.46Å; N316-L320 WeakPolarHBondContact O-CD1 3.47Å; N316-L320 WeakPolarHBondContact O-CG 3.32Å; N316-L320 PolarHBondContact O-N 2.99Å; L320-L322 PolarHBondContact O-N 2.99Å; L320-S323 PolarHBondContact O-N 3.45Å; L320-S323 PolarHBondContact O-OG 2.91Å
321	T	86.6	Confident	88.6	Confident	67 Å²	67	60.2 Å²	60.2	41%	0.411	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-8.9	176.1	-55.1	0	0	0	0	113.1	K300 I304 D317 L318 T319	K300-T321 HydrophobicContact CD-CG2 4.47Å; K300-T321 HydrophobicContact CG-CG2 4.37Å; I304-T321 HydrophobicContact CD1-CG2 4.07Å; D317-T321 VanDerWaalsContact O-CB 3.28Å; D317-T321 WeakPolarHBondContact O-CB 3.37Å; D317-T321 PolarHBondContact O-N 3.46Å; D317-T321 PolarHBondContact O-OG1 3.27Å; L318-T321 PolarHBondContact O-N 3.43Å; T319-T321 VanDerWaalsContact C-N 3.31Å; T319-T321 PolarHBondContact O-N 3.23Å
322	L	87.6	Confident	88.3	Confident	2 Å²	2	63.4 Å²	63.4	1%	0.01	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.4	4	-177.9	-72.1	171	0	0	0	113.7	I296 M297 K300 L318 T319 L320 D324 H325 M326	I296-L322 HydrophobicContact CG2-CD2 4Å; M297-L322 HydrophobicContact CB-CD1 3.97Å; M297-L322 HydrophobicContact CE-CD1 3.95Å; M297-L322 HydrophobicContact CG-CD1 3.93Å; K300-L322 HydrophobicContact CB-CD2 3.95Å; K300-L322 HydrophobicContact CG-CD2 3.86Å; K300-L322 HydrophobicContact CG-CG 4.3Å; L318-L322 HydrophobicContact CD1-CD1 4.05Å; L318-L322 HydrophobicContact CG-CD1 4.14Å; L318-L322 WeakPolarHBondContact O-CB 3.47Å; L318-L322 WeakPolarHBondContact O-CD1 3.27Å; L318-L322 WeakPolarHBondContact O-CG 3.47Å; L318-L322 PolarHBondContact O-N 2.92Å; T319-L322 CarbonylContact O-C 3.54Å; T319-L322 PolarHBondContact O-N 2.66Å; L320-L322 PolarHBondContact O-N 2.99Å; L322-D324 PolarHBondContact O-N 3.3Å; L322-H325 WeakPolarHBondContact O-CA 3.31Å; L322-H325 PolarHBondContact O-N 3.2Å; L322-M326 HydrophobicContact CB-CG 4.09Å; L322-M326 HydrophobicContact CB-SD 4.29Å; L322-M326 HydrophobicContact CD1-CE 4.27Å; L322-M326 HydrophobicContact CD1-SD 4.18Å; L322-M326 HydrophobicContact CD2-CE 4.32Å; L322-M326 PolarHBondContact O-N 3.27Å
323	S	85.6	Confident	88.2	Confident	77 Å²	77	65 Å²	65	54%	0.538	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-32.5	-179.9	57.9	0	0	0	0	113.8	T319 L320 H325	T319-S323 PolarHBondContact O-N 3.48Å; T319-S323 VanDerWaalsContact O-N 3.13Å; L320-S323 PolarHBondContact O-N 3.45Å; L320-S323 PolarHBondContact O-OG 2.91Å; S323-H325 PolarHBondContact O-N 2.9Å
324	D	82.6	Confident	88.1	Confident	149 Å²	149	64.9 Å²	64.9	80%	0.797	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-11	178	-65	5.1	0	0	0	112.9	L322	L322-D324 PolarHBondContact O-N 3.3Å
325	H	80.7	Confident	88	Confident	128 Å²	128	62.5 Å²	62.5	59%	0.593	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.3	-31.5	-173.1	-72	-59.8	0	0	0	113.8	I296 L322 S323	I296-H325 HydrophobicContact CG2-CB 4.5Å; L322-H325 WeakPolarHBondContact O-CA 3.31Å; L322-H325 PolarHBondContact O-N 3.2Å; S323-H325 PolarHBondContact O-N 2.9Å
326	M	87.4	Confident	88	Confident	18 Å²	18	67.1 Å²	67.1	9%	0.089	36%	0.36	C	S	.	.	S	Bend	trans	-153.4	155.4	-176	62.1	-173.7	68.5	0	0	112.6	N293 I296 M297 L322 A330 A331	N293-M326 HydrophobicContact CB-CE 3.88Å; N293-M326 HydrophobicContact CB-SD 4.29Å; N293-M326 WeakPolarHBondContact O-CE 3.4Å; I296-M326 HydrophobicContact CB-CE 4.09Å; I296-M326 HydrophobicContact CG2-CE 3.9Å; M297-M326 HydrophobicContact CB-CE 4.47Å; M297-M326 HydrophobicContact CE-SD 3.93Å; L322-M326 HydrophobicContact CB-CG 4.09Å; L322-M326 HydrophobicContact CB-SD 4.29Å; L322-M326 HydrophobicContact CD1-CE 4.27Å; L322-M326 HydrophobicContact CD1-SD 4.18Å; L322-M326 HydrophobicContact CD2-CE 4.32Å; L322-M326 PolarHBondContact O-N 3.27Å; M326-A330 HydrophobicContact CB-CB 4.47Å; M326-A331 HydrophobicContact CG-CB 4.08Å; M326-A331 HydrophobicContact SD-CB 3.75Å
327	S	89	Confident	88.2	Confident	73 Å²	73	63.8 Å²	63.8	51%	0.51	34%	0.34	S	S	.	.			trans	-73.6	157.9	174	73.9	0	0	0	0	111.8	H329 A330 A331	S327-H329 VanDerWaalsContact C-N 3.26Å; S327-H329 PolarHBondContact O-N 3.42Å; S327-A330 PolarHBondContact O-N 2.92Å; S327-A330 WeakPolarHBondContact OG-CB 3.15Å; S327-A330 PolarHBondContact OG-N 2.78Å; S327-A331 WeakPolarHBondContact O-CB 3.3Å; S327-A331 PolarHBondContact O-N 3.18Å
328	F	86.4	Confident	88.4	Confident	144 Å²	144	61 Å²	61	63%	0.632	33%	0.325	S	S	*	.	H	α-helix	trans	-57	-37.4	177.9	-177.3	-96	0	0	0	113.1	T319 A331 S332	T319-F328 HydrophobicContact CG2-CD2 4.38Å; T319-F328 HydrophobicContact CG2-CE2 4.39Å; F328-A331 PolarHBondContact O-N 3.29Å; F328-S332 PolarHBondContact O-N 2.77Å
329	H	87.1	Confident	88.5	Confident	133 Å²	133	64.5 Å²	64.5	62%	0.616	34%	0.34	S	S	*	.	H	α-helix	trans	-65.7	-51.1	176.2	-162.5	-58.2	0	0	0	111	S327 A331 S332 D333	S327-H329 VanDerWaalsContact C-N 3.26Å; S327-H329 PolarHBondContact O-N 3.42Å; H329-A331 PolarHBondContact O-N 3.25Å; H329-S332 WeakPolarHBondContact O-CA 3.46Å; H329-S332 WeakPolarHBondContact O-CB 3.5Å; H329-S332 PolarHBondContact O-N 2.96Å; H329-D333 IonicContact CE1-OD1 3.55Å; H329-D333 IonicContact CE1-OD2 2.69Å; H329-D333 PolarHBondContact CE1-OD2 3.25Å; H329-D333 VanDerWaalsContact CE1-OD2 3.27Å; H329-D333 IonicContact CG-OD2 3.94Å; H329-D333 IonicContact ND1-OD1 3.2Å; H329-D333 IonicContact ND1-OD2 2.66Å; H329-D333 PolarHBondContact ND1-OD2 2.97Å; H329-D333 PolarHBondContact O-N 3.46Å; H329-D333 VanDerWaalsContact O-OD2 3.1Å
330	A	88.7	Confident	88.7	Confident	22 Å²	22	68.7 Å²	68.7	18%	0.182	36%	0.362	C	S	.	.	H	α-helix	trans	-60.5	-34.3	178	0	0	0	0	0	112.3	M326 S327 S334	M326-A330 HydrophobicContact CB-CB 4.47Å; S327-A330 PolarHBondContact O-N 2.92Å; S327-A330 WeakPolarHBondContact OG-CB 3.15Å; S327-A330 PolarHBondContact OG-N 2.78Å; A330-S334 VanDerWaalsContact O-CB 3.24Å; A330-S334 WeakPolarHBondContact O-CB 3.33Å; A330-S334 PolarHBondContact O-N 2.94Å; A330-S334 PolarHBondContact O-OG 2.96Å
331	A	88.3	Confident	88.8	Confident	3 Å²	3	64.3 Å²	64.3	3%	0.025	34%	0.339	C	S	.	.	H	α-helix	trans	-66.4	-42.6	173.1	0	0	0	0	0	112.2	M297 T319 M326 S327 F328 H329 S334 L335	M297-A331 HydrophobicContact CE-CB 3.68Å; M297-A331 VanDerWaalsContact CE-O 3.27Å; M297-A331 WeakPolarHBondContact CE-O 3.3Å; T319-A331 HydrophobicContact CG2-CB 3.91Å; M326-A331 HydrophobicContact CG-CB 4.08Å; M326-A331 HydrophobicContact SD-CB 3.75Å; S327-A331 WeakPolarHBondContact O-CB 3.3Å; S327-A331 PolarHBondContact O-N 3.18Å; F328-A331 PolarHBondContact O-N 3.29Å; H329-A331 PolarHBondContact O-N 3.25Å; A331-S334 PolarHBondContact O-N 2.81Å; A331-L335 WeakPolarHBondContact O-CB 3.22Å; A331-L335 PolarHBondContact O-N 2.97Å
332	S	88.2	Confident	88.9	Confident	67 Å²	67	62.1 Å²	62.1	47%	0.469	33%	0.33	S	S	.	.	H	α-helix	trans	-61.7	-45.9	174.5	-179.3	0	0	0	0	112.1	F328 H329 L335 K336	F328-S332 PolarHBondContact O-N 2.77Å; H329-S332 WeakPolarHBondContact O-CA 3.46Å; H329-S332 WeakPolarHBondContact O-CB 3.5Å; H329-S332 PolarHBondContact O-N 2.96Å; S332-L335 PolarHBondContact O-N 3.39Å; S332-K336 PolarHBondContact O-N 2.94Å
333	D	91.4	Very high	89	Confident	63 Å²	63	62 Å²	62	34%	0.337	33%	0.329	S	S	.	.	H	α-helix	trans	-64.1	-43.6	177.5	-59.6	-41.4	0	0	0	111.5	L290 H329 L335 K336 F337	L290-D333 HydrophobicContact CD1-CB 3.72Å; H329-D333 IonicContact CE1-OD1 3.55Å; H329-D333 IonicContact CE1-OD2 2.69Å; H329-D333 PolarHBondContact CE1-OD2 3.25Å; H329-D333 VanDerWaalsContact CE1-OD2 3.27Å; H329-D333 IonicContact CG-OD2 3.94Å; H329-D333 IonicContact ND1-OD1 3.2Å; H329-D333 IonicContact ND1-OD2 2.66Å; H329-D333 PolarHBondContact ND1-OD2 2.97Å; H329-D333 PolarHBondContact O-N 3.46Å; H329-D333 VanDerWaalsContact O-OD2 3.1Å; D333-L335 VanDerWaalsContact C-N 3.35Å; D333-L335 PolarHBondContact O-N 2.74Å; D333-K336 WeakPolarHBondContact O-CB 3.44Å; D333-K336 PolarHBondContact O-N 2.75Å; D333-F337 WeakPolarHBondContact O-CB 3.28Å; D333-F337 PolarHBondContact O-N 2.75Å
334	S	92.8	Very high	89.3	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-61.1	-42.8	176.3	-60.6	0	0	0	0	111.6	N293 A330 A331 K336 F337 L338	N293-S334 WeakPolarHBondContact CB-OG 3.46Å; A330-S334 VanDerWaalsContact O-CB 3.24Å; A330-S334 WeakPolarHBondContact O-CB 3.33Å; A330-S334 PolarHBondContact O-N 2.94Å; A330-S334 PolarHBondContact O-OG 2.96Å; A331-S334 PolarHBondContact O-N 2.81Å; S334-K336 VanDerWaalsContact C-N 3.33Å; S334-K336 PolarHBondContact O-N 3.03Å; S334-F337 PolarHBondContact O-N 3.21Å; S334-L338 WeakPolarHBondContact O-CB 3.19Å; S334-L338 WeakPolarHBondContact O-CG 3.23Å; S334-L338 PolarHBondContact O-N 3.39Å
335	L	90.8	Very high	89.7	Confident	20 Å²	20	52.6 Å²	52.6	11%	0.105	27%	0.274	C	S	.	.	H	α-helix	trans	-64.9	-37.3	177.3	-179.6	60.6	0	0	0	112.1	M297 V315 A331 S332 D333 K339 V344 V351	M297-L335 HydrophobicContact SD-CB 3.91Å; M297-L335 HydrophobicContact SD-CD1 4.32Å; V315-L335 HydrophobicContact CG1-CD2 4.2Å; V315-L335 HydrophobicContact CG2-CD2 3.9Å; A331-L335 WeakPolarHBondContact O-CB 3.22Å; A331-L335 PolarHBondContact O-N 2.97Å; S332-L335 PolarHBondContact O-N 3.39Å; D333-L335 VanDerWaalsContact C-N 3.35Å; D333-L335 PolarHBondContact O-N 2.74Å; L335-K339 PolarHBondContact O-N 2.92Å; L335-V344 HydrophobicContact CD1-CG2 4.14Å; L335-V351 HydrophobicContact CD1-CB 4.35Å; L335-V351 HydrophobicContact CD1-CG1 3.61Å; L335-V351 HydrophobicContact CD1-CG2 3.73Å; L335-V351 HydrophobicContact CD2-CG2 3.84Å; L335-V351 HydrophobicContact CG-CG2 4.45Å
336	K	91.6	Very high	90	Very high	131 Å²	131	52.4 Å²	52.4	57%	0.57	27%	0.269	S	S	*	.	H	α-helix	trans	-63.8	-52	172.9	-175.6	-172.9	172.4	-169.1	0	110.7	S332 D333 S334 L338 K339 D340	S332-K336 PolarHBondContact O-N 2.94Å; D333-K336 WeakPolarHBondContact O-CB 3.44Å; D333-K336 PolarHBondContact O-N 2.75Å; S334-K336 VanDerWaalsContact C-N 3.33Å; S334-K336 PolarHBondContact O-N 3.03Å; K336-L338 VanDerWaalsContact C-N 3.33Å; K336-L338 PolarHBondContact O-N 3.13Å; K336-K339 WeakPolarHBondContact O-CB 3.37Å; K336-K339 PolarHBondContact O-N 3.19Å; K336-D340 VanDerWaalsContact O-CG 3.31Å; K336-D340 PolarHBondContact O-N 3.18Å
337	F	93.4	Very high	89.8	Confident	37 Å²	37	53.5 Å²	53.5	16%	0.162	27%	0.274	C	S	.	.	H	α-helix	trans	-54.3	-46.1	176.4	175.4	-94.1	0	0	0	112.2	W253 L290 E291 A294 D333 S334 K339 D340 I341	W253-F337 HydrophobicContact CD2-CZ 4.5Å; W253-F337 HydrophobicContact CE3-CZ 4.34Å; W253-F337 AromaticContact CH2-CZ 3.79Å; W253-F337 HydrophobicContact CH2-CZ 3.79Å; W253-F337 AromaticContact CZ2-CZ 3.95Å; W253-F337 HydrophobicContact CZ2-CZ 3.95Å; W253-F337 HydrophobicContact CZ3-CE1 4.43Å; W253-F337 HydrophobicContact CZ3-CZ 4Å; L290-F337 HydrophobicContact CD1-CB 4.3Å; L290-F337 HydrophobicContact CD2-CB 4.38Å; L290-F337 HydrophobicContact CD2-CD2 4.16Å; L290-F337 HydrophobicContact CD2-CG 4.43Å; L290-F337 HydrophobicContact CG-CB 4.38Å; L290-F337 HydrophobicContact CG-CG 4.4Å; E291-F337 HydrophobicContact CG-CE1 4.35Å; E291-F337 HydrophobicContact CG-CE2 4.39Å; E291-F337 HydrophobicContact CG-CZ 3.86Å; A294-F337 HydrophobicContact CB-CD1 3.59Å; A294-F337 HydrophobicContact CB-CE1 3.95Å; D333-F337 WeakPolarHBondContact O-CB 3.28Å; D333-F337 PolarHBondContact O-N 2.75Å; S334-F337 PolarHBondContact O-N 3.21Å; F337-K339 VanDerWaalsContact C-N 3.27Å; F337-K339 PolarHBondContact O-N 3.05Å; F337-D340 PolarHBondContact O-N 3.39Å; F337-D340 VanDerWaalsContact O-N 3.11Å; F337-I341 HydrophobicContact CD1-CD1 4.24Å; F337-I341 HydrophobicContact CE1-CD1 3.87Å; F337-I341 HydrophobicContact CE1-CG2 4.23Å; F337-I341 HydrophobicContact CE2-CG2 4.17Å; F337-I341 HydrophobicContact CZ-CG2 4.01Å; F337-I341 WeakPolarHBondContact O-CG1 3.33Å; F337-I341 PolarHBondContact O-N 2.79Å
338	L	92.7	Very high	89.1	Confident	0 Å²	0	57 Å²	57	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-60.9	-31.8	176.7	-72.2	173.2	0	0	0	113.4	F257 A294 M297 Y298 S334 K336 I341 G342 V343 V344	F257-L338 HydrophobicContact CD1-CD2 4.48Å; F257-L338 HydrophobicContact CE1-CD2 3.38Å; F257-L338 HydrophobicContact CZ-CD2 3.63Å; A294-L338 HydrophobicContact CB-CD2 3.92Å; A294-L338 HydrophobicContact CB-CG 3.97Å; M297-L338 HydrophobicContact CB-CD1 4.12Å; M297-L338 HydrophobicContact CG-CD1 3.91Å; M297-L338 HydrophobicContact SD-CD1 3.89Å; Y298-L338 HydrophobicContact CD2-CD2 4.47Å; Y298-L338 HydrophobicContact CG-CD2 4.42Å; S334-L338 WeakPolarHBondContact O-CB 3.19Å; S334-L338 WeakPolarHBondContact O-CG 3.23Å; S334-L338 PolarHBondContact O-N 3.39Å; K336-L338 VanDerWaalsContact C-N 3.33Å; K336-L338 PolarHBondContact O-N 3.13Å; L338-I341 HydrophobicContact CD2-CD1 4.22Å; L338-G342 PolarHBondContact O-N 3.25Å; L338-V343 HydrophobicContact CB-CG2 4.19Å; L338-V343 HydrophobicContact CD2-CG2 3.62Å; L338-V343 WeakPolarHBondContact O-CG2 3.4Å; L338-V343 PolarHBondContact O-N 2.96Å; L338-V343 VanDerWaalsContact O-N 3.08Å; L338-V344 HydrophobicContact CB-CG1 4.25Å; L338-V344 HydrophobicContact CB-CG2 3.64Å; L338-V344 PolarHBondContact O-N 2.72Å
339	K	91.6	Very high	89.2	Confident	77 Å²	77	53.3 Å²	53.3	34%	0.335	28%	0.276	S	S	.	.	H	α-helix	trans	-74	-43.7	172	173.1	178.9	167.3	178.4	0	111	L335 K336 F337 I341 G342 V344 Y346	L335-K339 PolarHBondContact O-N 2.92Å; K336-K339 WeakPolarHBondContact O-CB 3.37Å; K336-K339 PolarHBondContact O-N 3.19Å; F337-K339 VanDerWaalsContact C-N 3.27Å; F337-K339 PolarHBondContact O-N 3.05Å; K339-I341 VanDerWaalsContact C-N 3.34Å; K339-I341 PolarHBondContact O-N 3.29Å; K339-G342 VanDerWaalsContact O-CA 3.24Å; K339-G342 WeakPolarHBondContact O-CA 3.34Å; K339-G342 PolarHBondContact O-N 2.94Å; K339-V344 HydrophobicContact CB-CG2 4.37Å; K339-Y346 HydrophobicContact CD-CD1 3.71Å; K339-Y346 HydrophobicContact CD-CE1 3.27Å; K339-Y346 HydrophobicContact CD-CE2 4.41Å; K339-Y346 HydrophobicContact CD-CG 4.47Å; K339-Y346 PolarHBondContact NZ-OH 3.43Å
340	D	92.2	Very high	89.4	Confident	109 Å²	109	47.1 Å²	47.1	58%	0.583	25%	0.248	S	C	*	.	H	α-helix	trans	-68.8	-33	-173.4	-64.5	-15.9	0	0	0	111.5	K336 F337 G342	K336-D340 VanDerWaalsContact O-CG 3.31Å; K336-D340 PolarHBondContact O-N 3.18Å; F337-D340 PolarHBondContact O-N 3.39Å; F337-D340 VanDerWaalsContact O-N 3.11Å; D340-G342 VanDerWaalsContact C-N 3.26Å; D340-G342 PolarHBondContact O-N 3.37Å
341	I	91.1	Very high	89.6	Confident	30 Å²	30	46.1 Å²	46.1	15%	0.154	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-9.2	167	70.6	-178.8	0	0	0	113.7	W253 F257 I260 F337 L338 K339 V343	W253-I341 HydrophobicContact CH2-CG2 4.22Å; W253-I341 HydrophobicContact CZ3-CD1 4.32Å; W253-I341 HydrophobicContact CZ3-CG2 4.42Å; F257-I341 HydrophobicContact CD1-CD1 4.47Å; F257-I341 HydrophobicContact CD2-CD1 4.29Å; F257-I341 HydrophobicContact CE1-CD1 4.25Å; F257-I341 HydrophobicContact CE2-CD1 4.06Å; F257-I341 HydrophobicContact CG-CD1 4.49Å; F257-I341 HydrophobicContact CZ-CD1 4.04Å; I260-I341 HydrophobicContact CD1-CB 4.47Å; I260-I341 HydrophobicContact CD1-CD1 4.19Å; F337-I341 HydrophobicContact CD1-CD1 4.24Å; F337-I341 HydrophobicContact CE1-CD1 3.87Å; F337-I341 HydrophobicContact CE1-CG2 4.23Å; F337-I341 HydrophobicContact CE2-CG2 4.17Å; F337-I341 HydrophobicContact CZ-CG2 4.01Å; F337-I341 WeakPolarHBondContact O-CG1 3.33Å; F337-I341 PolarHBondContact O-N 2.79Å; L338-I341 HydrophobicContact CD2-CD1 4.22Å; K339-I341 VanDerWaalsContact C-N 3.34Å; K339-I341 PolarHBondContact O-N 3.29Å; I341-V343 HydrophobicContact CD1-CG1 4.15Å; I341-V343 HydrophobicContact CD1-CG2 3.81Å; I341-V343 HydrophobicContact CG1-CB 4.47Å; I341-V343 HydrophobicContact CG1-CG1 4.05Å; I341-V343 HydrophobicContact CG1-CG2 3.85Å
342	G	88	Confident	89.9	Confident	21 Å²	21	46 Å²	46	22%	0.216	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.1	19	172.7	0	0	0	0	0	116.6	K259 L338 K339 D340	K259-G342 PolarHBondContact NZ-O 3.32Å; L338-G342 PolarHBondContact O-N 3.25Å; K339-G342 VanDerWaalsContact O-CA 3.24Å; K339-G342 WeakPolarHBondContact O-CA 3.34Å; K339-G342 PolarHBondContact O-N 2.94Å; D340-G342 VanDerWaalsContact C-N 3.26Å; D340-G342 PolarHBondContact O-N 3.37Å
343	V	88.9	Confident	90.1	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.218	C	C	.	.	S	Bend	trans	-91.8	-20.7	-179.3	-58.2	0	0	0	0	113.7	F257 K259 I260 Y298 L338 I341 Y354	F257-V343 HydrophobicContact CB-CG1 4.1Å; F257-V343 HydrophobicContact CD1-CB 4.23Å; F257-V343 HydrophobicContact CD1-CG1 3.99Å; F257-V343 HydrophobicContact CD1-CG2 3.82Å; F257-V343 HydrophobicContact CE1-CG2 3.92Å; F257-V343 HydrophobicContact CG-CG1 4.22Å; K259-V343 HydrophobicContact CB-CG1 4.43Å; I260-V343 HydrophobicContact CD1-CG1 4.46Å; I260-V343 HydrophobicContact CG1-CG1 4.24Å; Y298-V343 HydrophobicContact CD2-CB 4.49Å; Y298-V343 HydrophobicContact CD2-CG2 3.98Å; Y298-V343 HydrophobicContact CE2-CB 3.92Å; Y298-V343 HydrophobicContact CE2-CG2 3.92Å; L338-V343 HydrophobicContact CB-CG2 4.19Å; L338-V343 HydrophobicContact CD2-CG2 3.62Å; L338-V343 WeakPolarHBondContact O-CG2 3.4Å; L338-V343 PolarHBondContact O-N 2.96Å; L338-V343 VanDerWaalsContact O-N 3.08Å; I341-V343 HydrophobicContact CD1-CG1 4.15Å; I341-V343 HydrophobicContact CD1-CG2 3.81Å; I341-V343 HydrophobicContact CG1-CB 4.47Å; I341-V343 HydrophobicContact CG1-CG1 4.05Å; I341-V343 HydrophobicContact CG1-CG2 3.85Å; V343-Y354 WeakPolarHBondContact O-CB 3.27Å; V343-Y354 PolarHBondContact O-N 3.42Å
344	V	92.5	Very high	90	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.006	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	171.1	167.3	-53.8	0	0	0	0	111.4	Y298 L301 L335 L338 K339 V351 F352	Y298-V344 HydrophobicContact CD2-CG1 3.98Å; Y298-V344 HydrophobicContact CE2-CG1 4.27Å; L301-V344 HydrophobicContact CD2-CG1 3.69Å; L335-V344 HydrophobicContact CD1-CG2 4.14Å; L338-V344 HydrophobicContact CB-CG1 4.25Å; L338-V344 HydrophobicContact CB-CG2 3.64Å; L338-V344 PolarHBondContact O-N 2.72Å; K339-V344 HydrophobicContact CB-CG2 4.37Å; V344-V351 HydrophobicContact CB-CG1 4.15Å; V344-V351 HydrophobicContact CG1-CG1 4.43Å; V344-V351 HydrophobicContact CG2-CG1 4.33Å; V344-F352 CarbonylContact C-O 3.58Å; V344-F352 WeakPolarHBondContact CA-O 3.32Å; V344-F352 VanDerWaalsContact CB-O 3.28Å; V344-F352 WeakPolarHBondContact CB-O 3.38Å
345	T	91.8	Very high	89.8	Confident	28 Å²	28	47.3 Å²	47.3	17%	0.172	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	152.3	168.5	-67.9	0	0	0	0	108.7	F352 Y357	T345-F352 PolarHBondContact N-O 3.23Å; T345-F352 PolarHBondContact O-N 2.92Å; T345-Y357 HydrophobicContact CG2-CD1 4Å; T345-Y357 HydrophobicContact CG2-CE1 3.73Å; T345-Y357 HydrophobicContact CG2-CE2 4.41Å; T345-Y357 HydrophobicContact CG2-CG 4.44Å
346	Y	86.6	Confident	89.8	Confident	123 Å²	123	47.9 Å²	47.9	48%	0.482	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	143.3	172	59.7	-120.1	0	0	0	112	K339 C350	K339-Y346 HydrophobicContact CD-CD1 3.71Å; K339-Y346 HydrophobicContact CD-CE1 3.27Å; K339-Y346 HydrophobicContact CD-CE2 4.41Å; K339-Y346 HydrophobicContact CD-CG 4.47Å; K339-Y346 PolarHBondContact NZ-OH 3.43Å; Y346-C350 VanDerWaalsContact CA-O 3.22Å; Y346-C350 WeakPolarHBondContact CA-O 3.48Å
347	E	82.4	Confident	89.8	Confident	41 Å²	41	43 Å²	43	19%	0.192	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	127.4	167.9	-170.7	-175.4	158.1	0	0	108.3	A349 C350 F352 Y357 Y949	E347-A349 PolarHBondContact O-N 2.95Å; E347-C350 PolarHBondContact N-O 2.91Å; E347-C350 WeakPolarHBondContact O-CB 3.41Å; E347-C350 PolarHBondContact O-N 3.02Å; E347-F352 HydrophobicContact CB-CE2 4.07Å; E347-Y357 PolarHBondContact OE2-OH 3.32Å; E347-Y949 VanDerWaalsContact OE1-CE1 3.24Å; E347-Y949 WeakPolarHBondContact OE1-CE1 3.43Å; E347-Y949 PolarHBondContact OE1-OH 2.96Å
348	K	75.8	Confident	89.7	Confident	146 Å²	146	43.7 Å²	43.7	64%	0.635	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	47	52.3	174	-64.7	171.5	180	175.3	0	113.9	C350 Y949	K348-C350 PolarHBondContact O-N 3.03Å; K348-Y949 PolarHBondContact NZ-OH 3.1Å
349	A	86.8	Confident	89.7	Confident	68 Å²	68	43.9 Å²	43.9	56%	0.562	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.1	11.3	-177.6	0	0	0	0	0	116.7	V315 E347	V315-A349 WeakPolarHBondContact CG2-O 3.26Å; V315-A349 PolarHBondContact N-O 2.9Å; E347-A349 PolarHBondContact O-N 2.95Å
350	C	91.6	Very high	89.8	Confident	3 Å²	3	40.2 Å²	40.2	2%	0.02	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	138.9	166.9	-58.1	0	0	0	0	110.6	Y312 Y346 E347 K348 F352 R946	Y312-C350 HydrophobicContact CD2-CB 3.55Å; Y312-C350 VanDerWaalsContact CD2-SG 3.55Å; Y312-C350 HydrophobicContact CE2-CB 4.03Å; Y312-C350 WeakPolarHBondContact CE2-SG 3.31Å; Y312-C350 HydrophobicContact CG-CB 4.06Å; Y346-C350 VanDerWaalsContact CA-O 3.22Å; Y346-C350 WeakPolarHBondContact CA-O 3.48Å; E347-C350 PolarHBondContact N-O 2.91Å; E347-C350 WeakPolarHBondContact O-CB 3.41Å; E347-C350 PolarHBondContact O-N 3.02Å; K348-C350 PolarHBondContact O-N 3.03Å; C350-F352 HydrophobicContact CB-CD2 4.46Å; C350-F352 HydrophobicContact CB-CE2 3.6Å; C350-F352 HydrophobicContact CB-CZ 3.82Å; C350-F352 WeakPolarHBondContact O-CE2 3.36Å; C350-R946 PolarHBondContact SG-NH2 3.49Å
351	V	94.1	Very high	89.9	Confident	0 Å²	0	40 Å²	40	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	133.3	173.3	-174.3	0	0	0	0	109.3	L301 Y312 V313 V315 L335 V344	L301-V351 HydrophobicContact CD2-CG1 3.84Å; Y312-V351 VanDerWaalsContact CA-O 3.28Å; Y312-V351 WeakPolarHBondContact CA-O 3.26Å; Y312-V351 WeakPolarHBondContact CB-O 3.32Å; V313-V351 PolarHBondContact N-O 3.18Å; V313-V351 PolarHBondContact O-N 2.83Å; V315-V351 HydrophobicContact CG2-CG2 3.54Å; L335-V351 HydrophobicContact CD1-CB 4.35Å; L335-V351 HydrophobicContact CD1-CG1 3.61Å; L335-V351 HydrophobicContact CD1-CG2 3.73Å; L335-V351 HydrophobicContact CD2-CG2 3.84Å; L335-V351 HydrophobicContact CG-CG2 4.45Å; V344-V351 HydrophobicContact CB-CG1 4.15Å; V344-V351 HydrophobicContact CG1-CG1 4.43Å; V344-V351 HydrophobicContact CG2-CG1 4.33Å
352	F	93.7	Very high	90.1	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	136.8	-178.4	-52.6	-109.4	0	0	0	109.7	Y312 V344 T345 E347 C350 Y354 Y357 R946	Y312-F352 VanDerWaalsContact CB-CD1 3.49Å; Y312-F352 HydrophobicContact CD1-CE1 4.02Å; Y312-F352 HydrophobicContact CD1-CZ 4.45Å; Y312-F352 HydrophobicContact CG-CD1 4.49Å; Y312-F352 HydrophobicContact CG-CE1 4.04Å; Y312-F352 HydrophobicContact CG-CZ 4.29Å; V344-F352 CarbonylContact C-O 3.58Å; V344-F352 WeakPolarHBondContact CA-O 3.32Å; V344-F352 VanDerWaalsContact CB-O 3.28Å; V344-F352 WeakPolarHBondContact CB-O 3.38Å; T345-F352 PolarHBondContact N-O 3.23Å; T345-F352 PolarHBondContact O-N 2.92Å; E347-F352 HydrophobicContact CB-CE2 4.07Å; C350-F352 HydrophobicContact CB-CD2 4.46Å; C350-F352 HydrophobicContact CB-CE2 3.6Å; C350-F352 HydrophobicContact CB-CZ 3.82Å; C350-F352 WeakPolarHBondContact O-CE2 3.36Å; F352-Y354 PolarHBondContact O-N 2.83Å; F352-Y357 HydrophobicContact CB-CD2 4.23Å; F352-Y357 HydrophobicContact CB-CG 4.35Å; F352-Y357 AromaticContact CD1-CD2 3.72Å; F352-Y357 HydrophobicContact CD1-CD2 3.72Å; F352-Y357 HydrophobicContact CD1-CG 4.47Å; F352-Y357 AromaticContact CD2-CD2 3.89Å; F352-Y357 HydrophobicContact CD2-CD2 3.89Å; F352-Y357 HydrophobicContact CD2-CE2 4.35Å; F352-Y357 AromaticContact CE1-CD2 3.96Å; F352-Y357 HydrophobicContact CE1-CD2 3.96Å; F352-Y357 HydrophobicContact CE2-CD2 4.15Å; F352-Y357 HydrophobicContact CE2-CE2 4.28Å; F352-Y357 AromaticContact CG-CD2 3.7Å; F352-Y357 HydrophobicContact CG-CD2 3.7Å; F352-Y357 HydrophobicContact CG-CG 4.3Å; F352-Y357 HydrophobicContact CZ-CD2 4.19Å; F352-Y357 HydrophobicContact CZ-CE2 4.39Å; F352-R946 HydrophobicContact CE1-CB 4.11Å; F352-R946 HydrophobicContact CE1-CG 3.6Å; F352-R946 HydrophobicContact CZ-CG 3.67Å
353	P	92.5	Very high	90.4	Very high	8 Å²	8	38.5 Å²	38.5	5%	0.052	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.8	129.6	154.2	-20.6	34	0	0	0	108.8	L301 T311 D355 L356 Y357	L301-P353 HydrophobicContact CD2-CG 4.11Å; L301-P353 HydrophobicContact CG-CG 4.08Å; T311-P353 WeakPolarHBondContact O-CD 3.49Å; P353-D355 PolarHBondContact O-N 3Å; P353-D355 VanDerWaalsContact O-N 3.14Å; P353-L356 HydrophobicContact CB-CD1 4.26Å; P353-L356 HydrophobicContact CB-CG 4.33Å; P353-L356 HydrophobicContact CG-CD1 4.02Å; P353-L356 PolarHBondContact O-N 2.68Å; P353-L356 VanDerWaalsContact O-N 3.17Å; P353-Y357 PolarHBondContact O-N 3.05Å
354	Y	90.3	Very high	90.7	Very high	73 Å²	73	38.6 Å²	38.6	29%	0.286	19%	0.188	S	C	.	.	H	α-helix	trans	-53.5	-42.1	-170.2	178.5	-85	0	0	0	112.6	K259 V343 F352 L356 Y357 Q358	K259-Y354 HydrophobicContact CD-CD1 4.15Å; K259-Y354 HydrophobicContact CD-CG 4.44Å; V343-Y354 WeakPolarHBondContact O-CB 3.27Å; V343-Y354 PolarHBondContact O-N 3.42Å; F352-Y354 PolarHBondContact O-N 2.83Å; Y354-L356 VanDerWaalsContact C-N 3.35Å; Y354-L356 PolarHBondContact O-N 3.33Å; Y354-Y357 WeakPolarHBondContact O-CB 3.49Å; Y354-Y357 PolarHBondContact O-N 2.89Å; Y354-Q358 HydrophobicContact CD1-CG 3.81Å; Y354-Q358 HydrophobicContact CE1-CG 3.34Å; Y354-Q358 HydrophobicContact CE2-CG 4.3Å; Y354-Q358 HydrophobicContact CG-CG 4.46Å; Y354-Q358 VanDerWaalsContact CZ-NE2 3.25Å; Y354-Q358 WeakPolarHBondContact O-CG 3.05Å; Y354-Q358 PolarHBondContact O-N 2.76Å; Y354-Q358 PolarHBondContact OH-NE2 2.92Å
355	D	86.9	Confident	90.8	Very high	77 Å²	77	43.8 Å²	43.8	41%	0.412	21%	0.21	S	C	.	.	H	α-helix	trans	-71.4	-31.6	-172	-42.7	-56.9	0	0	0	111.8	P353 A359	P353-D355 PolarHBondContact O-N 3Å; P353-D355 VanDerWaalsContact O-N 3.14Å; D355-A359 VanDerWaalsContact O-CB 3.29Å; D355-A359 WeakPolarHBondContact O-CB 3.35Å; D355-A359 PolarHBondContact O-N 3.45Å
356	L	90.7	Very high	91	Very high	33 Å²	33	42.7 Å²	42.7	17%	0.173	20%	0.204	C	C	.	.	H	α-helix	trans	-72.2	-38.1	172.4	-61.1	-178.7	0	0	0	111.7	T311 P353 Y354 A359 E360 V597 P630	T311-L356 HydrophobicContact CG2-CB 4.26Å; T311-L356 HydrophobicContact CG2-CD1 4.38Å; P353-L356 HydrophobicContact CB-CD1 4.26Å; P353-L356 HydrophobicContact CB-CG 4.33Å; P353-L356 HydrophobicContact CG-CD1 4.02Å; P353-L356 PolarHBondContact O-N 2.68Å; P353-L356 VanDerWaalsContact O-N 3.17Å; Y354-L356 VanDerWaalsContact C-N 3.35Å; Y354-L356 PolarHBondContact O-N 3.33Å; L356-A359 PolarHBondContact O-N 3.22Å; L356-E360 PolarHBondContact O-N 3.2Å; L356-V597 HydrophobicContact CD2-CG2 4.32Å; L356-P630 HydrophobicContact CD1-CB 3.84Å; L356-P630 HydrophobicContact CD1-CG 4.1Å; L356-P630 HydrophobicContact CD2-CB 4.19Å
357	Y	93.3	Very high	91.3	Very high	28 Å²	28	36.9 Å²	36.9	11%	0.11	18%	0.181	C	C	.	.	H	α-helix	trans	-62.9	-43.4	173.9	-177.8	-104.4	0	0	0	111.6	T345 E347 F352 P353 Y354 R361 F950	T345-Y357 HydrophobicContact CG2-CD1 4Å; T345-Y357 HydrophobicContact CG2-CE1 3.73Å; T345-Y357 HydrophobicContact CG2-CE2 4.41Å; T345-Y357 HydrophobicContact CG2-CG 4.44Å; E347-Y357 PolarHBondContact OE2-OH 3.32Å; F352-Y357 HydrophobicContact CB-CD2 4.23Å; F352-Y357 HydrophobicContact CB-CG 4.35Å; F352-Y357 AromaticContact CD1-CD2 3.72Å; F352-Y357 HydrophobicContact CD1-CD2 3.72Å; F352-Y357 HydrophobicContact CD1-CG 4.47Å; F352-Y357 AromaticContact CD2-CD2 3.89Å; F352-Y357 HydrophobicContact CD2-CD2 3.89Å; F352-Y357 HydrophobicContact CD2-CE2 4.35Å; F352-Y357 AromaticContact CE1-CD2 3.96Å; F352-Y357 HydrophobicContact CE1-CD2 3.96Å; F352-Y357 HydrophobicContact CE2-CD2 4.15Å; F352-Y357 HydrophobicContact CE2-CE2 4.28Å; F352-Y357 AromaticContact CG-CD2 3.7Å; F352-Y357 HydrophobicContact CG-CD2 3.7Å; F352-Y357 HydrophobicContact CG-CG 4.3Å; F352-Y357 HydrophobicContact CZ-CD2 4.19Å; F352-Y357 HydrophobicContact CZ-CE2 4.39Å; P353-Y357 PolarHBondContact O-N 3.05Å; Y354-Y357 WeakPolarHBondContact O-CB 3.49Å; Y354-Y357 PolarHBondContact O-N 2.89Å; Y357-R361 VanDerWaalsContact CZ-CD 3.41Å; Y357-R361 WeakPolarHBondContact O-CB 3.13Å; Y357-R361 VanDerWaalsContact O-CG 3.27Å; Y357-R361 WeakPolarHBondContact O-CG 3.27Å; Y357-R361 PolarHBondContact O-N 3.45Å; Y357-R361 VanDerWaalsContact O-N 3.12Å; Y357-F950 HydrophobicContact CD2-CE2 4.48Å; Y357-F950 AromaticContact CD2-CZ 3.93Å; Y357-F950 HydrophobicContact CD2-CZ 3.93Å; Y357-F950 HydrophobicContact CE2-CE1 4.22Å; Y357-F950 AromaticContact CE2-CZ 3.6Å; Y357-F950 HydrophobicContact CE2-CZ 3.6Å
358	Q	91.3	Very high	91.8	Very high	51 Å²	51	35.2 Å²	35.2	24%	0.238	17%	0.174	C	C	.	.	H	α-helix	trans	-70.9	-34.5	174.6	-59.2	-52.3	-13.4	0	0	112.6	Y354 R361 A362	Y354-Q358 HydrophobicContact CD1-CG 3.81Å; Y354-Q358 HydrophobicContact CE1-CG 3.34Å; Y354-Q358 HydrophobicContact CE2-CG 4.3Å; Y354-Q358 HydrophobicContact CG-CG 4.46Å; Y354-Q358 VanDerWaalsContact CZ-NE2 3.25Å; Y354-Q358 WeakPolarHBondContact O-CG 3.05Å; Y354-Q358 PolarHBondContact O-N 2.76Å; Y354-Q358 PolarHBondContact OH-NE2 2.92Å; Q358-R361 PolarHBondContact O-N 2.94Å; Q358-A362 WeakPolarHBondContact O-CB 3.2Å; Q358-A362 PolarHBondContact O-N 3.36Å
359	A	91.3	Very high	92.6	Very high	4 Å²	4	30.6 Å²	30.6	3%	0.033	16%	0.156	C	C	.	.	H	α-helix	trans	-58.9	-52.6	174.5	0	0	0	0	0	111.7	D355 L356 R361 A362 I363 V597 K601	D355-A359 VanDerWaalsContact O-CB 3.29Å; D355-A359 WeakPolarHBondContact O-CB 3.35Å; D355-A359 PolarHBondContact O-N 3.45Å; L356-A359 PolarHBondContact O-N 3.22Å; A359-R361 PolarHBondContact O-N 3.28Å; A359-A362 PolarHBondContact O-N 3.45Å; A359-I363 WeakPolarHBondContact O-CB 3.4Å; A359-I363 WeakPolarHBondContact O-CD1 3.48Å; A359-I363 VanDerWaalsContact O-CG1 3.23Å; A359-I363 WeakPolarHBondContact O-CG1 3.29Å; A359-I363 PolarHBondContact O-N 2.91Å; A359-V597 HydrophobicContact CB-CB 4.17Å; A359-V597 HydrophobicContact CB-CG2 3.99Å; A359-K601 HydrophobicContact CB-CB 4.2Å
360	E	95	Very high	92.8	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-63.1	-38.7	178.2	-66.1	-168.8	156.6	0	0	112.7	T311 L356 A364 T945 R946 L947 F950	T311-E360 WeakPolarHBondContact CB-OE1 3.43Å; T311-E360 HydrophobicContact CG2-CG 4.34Å; T311-E360 WeakPolarHBondContact CG2-OE1 3.47Å; T311-E360 VanDerWaalsContact OG1-CD 3.25Å; T311-E360 PolarHBondContact OG1-OE1 3.22Å; L356-E360 PolarHBondContact O-N 3.2Å; E360-A364 WeakPolarHBondContact O-CB 3.25Å; E360-A364 PolarHBondContact O-N 2.93Å; E360-T945 VanDerWaalsContact OE1-CB 3.31Å; E360-T945 WeakPolarHBondContact OE1-CB 3.29Å; E360-R946 PolarHBondContact OE1-N 3.4Å; E360-R946 VanDerWaalsContact OE2-C 3.28Å; E360-R946 VanDerWaalsContact OE2-CA 3.24Å; E360-R946 WeakPolarHBondContact OE2-CA 3.42Å; E360-R946 WeakPolarHBondContact OE2-CB 3.3Å; E360-R946 PolarHBondContact OE2-N 3.03Å; E360-L947 HydrophobicContact CB-CB 4.13Å; E360-L947 VanDerWaalsContact CD-N 3.3Å; E360-L947 HydrophobicContact CG-CB 4.01Å; E360-L947 WeakPolarHBondContact O-CD1 3.48Å; E360-L947 PolarHBondContact OE2-N 3.46Å; E360-F950 HydrophobicContact CB-CD2 3.79Å; E360-F950 HydrophobicContact CB-CE2 3.89Å
361	R	94.5	Very high	92.7	Very high	106 Å²	106	29.5 Å²	29.5	40%	0.4	14%	0.14	S	C	.	.	H	α-helix	trans	-71.6	-39.8	178.9	-73.1	176.4	73.1	-113.6	4	113.5	Y357 Q358 A359 A364 F365 F950	Y357-R361 VanDerWaalsContact CZ-CD 3.41Å; Y357-R361 WeakPolarHBondContact O-CB 3.13Å; Y357-R361 VanDerWaalsContact O-CG 3.27Å; Y357-R361 WeakPolarHBondContact O-CG 3.27Å; Y357-R361 PolarHBondContact O-N 3.45Å; Y357-R361 VanDerWaalsContact O-N 3.12Å; Q358-R361 PolarHBondContact O-N 2.94Å; A359-R361 PolarHBondContact O-N 3.28Å; R361-A364 PolarHBondContact O-N 3.29Å; R361-F365 WeakPolarHBondContact O-CB 3.28Å; R361-F365 PolarHBondContact O-N 3.27Å; R361-F950 HydrophobicContact CG-CD1 3.93Å; R361-F950 HydrophobicContact CG-CD2 3.77Å; R361-F950 HydrophobicContact CG-CE1 3.87Å; R361-F950 HydrophobicContact CG-CE2 3.7Å; R361-F950 HydrophobicContact CG-CG 3.9Å; R361-F950 HydrophobicContact CG-CZ 3.76Å
362	A	93.4	Very high	92.3	Very high	19 Å²	19	35.1 Å²	35.1	16%	0.157	17%	0.166	C	C	.	.	H	α-helix	trans	-68.3	-43.4	177.3	0	0	0	0	0	110.8	Q358 A359 A364 F365 S366 K601	Q358-A362 WeakPolarHBondContact O-CB 3.2Å; Q358-A362 PolarHBondContact O-N 3.36Å; A359-A362 PolarHBondContact O-N 3.45Å; A362-A364 VanDerWaalsContact C-N 3.33Å; A362-A364 PolarHBondContact O-N 2.87Å; A362-F365 PolarHBondContact O-N 3.17Å; A362-S366 WeakPolarHBondContact O-CB 3.46Å; A362-S366 PolarHBondContact O-N 3.25Å; A362-S366 PolarHBondContact O-OG 3.36Å; A362-S366 VanDerWaalsContact O-OG 3.1Å; A362-K601 HydrophobicContact CB-CG 3.72Å
363	I	95.5	Very high	91.8	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-58.1	-47.6	172.8	-68.3	164.4	0	0	0	110.6	A359 F365 I367 V597 F600 K601 L633 L947	A359-I363 WeakPolarHBondContact O-CB 3.4Å; A359-I363 WeakPolarHBondContact O-CD1 3.48Å; A359-I363 VanDerWaalsContact O-CG1 3.23Å; A359-I363 WeakPolarHBondContact O-CG1 3.29Å; A359-I363 PolarHBondContact O-N 2.91Å; I363-F365 VanDerWaalsContact C-N 3.31Å; I363-F365 PolarHBondContact O-N 3.44Å; I363-I367 HydrophobicContact CG2-CD1 3.73Å; I363-I367 HydrophobicContact CG2-CG1 4.43Å; I363-I367 WeakPolarHBondContact O-CB 3.5Å; I363-I367 WeakPolarHBondContact O-CG1 3.33Å; I363-I367 PolarHBondContact O-N 3.5Å; I363-V597 HydrophobicContact CD1-CB 3.81Å; I363-V597 HydrophobicContact CD1-CG1 4.15Å; I363-V597 WeakPolarHBondContact CD1-O 3.49Å; I363-F600 HydrophobicContact CD1-CB 4.27Å; I363-F600 HydrophobicContact CD1-CD1 3.81Å; I363-F600 HydrophobicContact CG1-CD1 3.81Å; I363-F600 HydrophobicContact CG1-CE1 4.47Å; I363-F600 HydrophobicContact CG2-CD1 3.93Å; I363-F600 HydrophobicContact CG2-CE1 3.89Å; I363-K601 HydrophobicContact CD1-CB 4.19Å; I363-K601 HydrophobicContact CG1-CB 3.95Å; I363-L633 HydrophobicContact CD1-CD1 4.2Å; I363-L633 HydrophobicContact CG2-CD1 4.24Å; I363-L947 HydrophobicContact CB-CD1 4.09Å; I363-L947 HydrophobicContact CG2-CD1 3.81Å; I363-L947 HydrophobicContact CG2-CD2 4.48Å
364	A	95.9	Very high	90.9	Very high	1 Å²	1	44 Å²	44	1%	0.008	21%	0.214	C	C	.	.	H	α-helix	trans	-61	-40	177.5	0	0	0	0	0	112.4	E360 R361 A362 C368 L947 F950 L951	E360-A364 WeakPolarHBondContact O-CB 3.25Å; E360-A364 PolarHBondContact O-N 2.93Å; R361-A364 PolarHBondContact O-N 3.29Å; A362-A364 VanDerWaalsContact C-N 3.33Å; A362-A364 PolarHBondContact O-N 2.87Å; A364-C368 WeakPolarHBondContact O-CB 3.48Å; A364-C368 PolarHBondContact O-N 2.82Å; A364-C368 VanDerWaalsContact O-N 3.14Å; A364-C368 PolarHBondContact O-SG 3Å; A364-L947 HydrophobicContact CB-CD1 4.29Å; A364-F950 HydrophobicContact CB-CB 3.55Å; A364-L951 HydrophobicContact CB-CD2 4.09Å; A364-L951 HydrophobicContact CB-CG 4.02Å
365	F	94.7	Very high	89.7	Confident	111 Å²	111	44.3 Å²	44.3	49%	0.487	22%	0.224	S	C	.	.	H	α-helix	trans	-64.5	-57	175.6	175.9	-97.9	0	0	0	112.1	R361 A362 I363 I367 C368 D369	R361-F365 WeakPolarHBondContact O-CB 3.28Å; R361-F365 PolarHBondContact O-N 3.27Å; A362-F365 PolarHBondContact O-N 3.17Å; I363-F365 VanDerWaalsContact C-N 3.31Å; I363-F365 PolarHBondContact O-N 3.44Å; F365-I367 VanDerWaalsContact C-N 3.27Å; F365-I367 PolarHBondContact O-N 3.09Å; F365-C368 PolarHBondContact O-N 3.44Å; F365-D369 PolarHBondContact O-N 2.97Å
366	S	94.3	Very high	89	Confident	5 Å²	5	43.1 Å²	43.1	4%	0.035	21%	0.214	C	C	.	.	H	α-helix	trans	-63.5	-31.3	-175.1	-57.1	0	0	0	0	112.5	A362 L370 N605	A362-S366 WeakPolarHBondContact O-CB 3.46Å; A362-S366 PolarHBondContact O-N 3.25Å; A362-S366 PolarHBondContact O-OG 3.36Å; A362-S366 VanDerWaalsContact O-OG 3.1Å; S366-L370 WeakPolarHBondContact O-CB 3.31Å; S366-L370 PolarHBondContact O-N 3.3Å; S366-N605 PolarHBondContact OG-OD1 2.86Å
367	I	94.2	Very high	88.3	Confident	1 Å²	1	49.8 Å²	49.8	1%	0.005	24%	0.237	C	C	.	.	H	α-helix	trans	-71.5	-41.8	171.2	-70.8	178.8	0	0	0	111.7	I363 F365 D369 L370 M371 V470 F600 L604 L616 L637 L951	I363-I367 HydrophobicContact CG2-CD1 3.73Å; I363-I367 HydrophobicContact CG2-CG1 4.43Å; I363-I367 WeakPolarHBondContact O-CB 3.5Å; I363-I367 WeakPolarHBondContact O-CG1 3.33Å; I363-I367 PolarHBondContact O-N 3.5Å; F365-I367 VanDerWaalsContact C-N 3.27Å; F365-I367 PolarHBondContact O-N 3.09Å; I367-D369 VanDerWaalsContact C-N 3.35Å; I367-L370 PolarHBondContact O-N 3.24Å; I367-M371 HydrophobicContact CG2-SD 4.21Å; I367-M371 WeakPolarHBondContact O-CB 3.38Å; I367-M371 VanDerWaalsContact O-CG 3.28Å; I367-M371 WeakPolarHBondContact O-CG 3.44Å; I367-M371 PolarHBondContact O-N 3.13Å; I367-V470 HydrophobicContact CG2-CG1 4.38Å; I367-V470 HydrophobicContact CG2-CG2 4.37Å; I367-F600 HydrophobicContact CD1-CE1 4.24Å; I367-L604 HydrophobicContact CG1-CD2 3.9Å; I367-L616 HydrophobicContact CD1-CD2 4.43Å; I367-L616 HydrophobicContact CG1-CD2 4.17Å; I367-L637 HydrophobicContact CD1-CD1 4.26Å; I367-L637 HydrophobicContact CD1-CD2 3.37Å; I367-L637 HydrophobicContact CD1-CG 4.48Å; I367-L951 HydrophobicContact CB-CD2 4.29Å; I367-L951 HydrophobicContact CG2-CD2 4.06Å
368	C	92.4	Very high	87.5	Confident	5 Å²	5	49.1 Å²	49.1	3%	0.034	24%	0.235	C	C	.	.	H	α-helix	trans	-65.3	-39.2	176.3	-68.1	0	0	0	0	111.9	A364 F365 M371 Q372 K954 L955	A364-C368 WeakPolarHBondContact O-CB 3.48Å; A364-C368 PolarHBondContact O-N 2.82Å; A364-C368 VanDerWaalsContact O-N 3.14Å; A364-C368 PolarHBondContact O-SG 3Å; F365-C368 PolarHBondContact O-N 3.44Å; C368-M371 CarbonylContact O-C 3.55Å; C368-M371 PolarHBondContact O-N 3.23Å; C368-Q372 VanDerWaalsContact O-CG 3.29Å; C368-Q372 WeakPolarHBondContact O-CG 3.4Å; C368-Q372 PolarHBondContact O-N 3.2Å; C368-K954 HydrophobicContact CB-CB 4.39Å; C368-K954 WeakPolarHBondContact SG-CB 3.43Å; C368-L955 VanDerWaalsContact SG-CD2 3.57Å
369	D	92	Very high	86.4	Confident	49 Å²	49	53 Å²	53	26%	0.262	27%	0.266	S	S	.	.	H	α-helix	trans	-60.2	-50.9	173.5	-178.4	82.4	0	0	0	111	F365 I367 M371 Q372 R373	F365-D369 PolarHBondContact O-N 2.97Å; I367-D369 VanDerWaalsContact C-N 3.35Å; D369-M371 PolarHBondContact O-N 3.49Å; D369-Q372 WeakPolarHBondContact O-CA 2.84Å; D369-Q372 PolarHBondContact O-N 3.33Å; D369-R373 WeakPolarHBondContact O-CG 3.38Å; D369-R373 PolarHBondContact O-N 3.24Å; D369-R373 IonicContact OD2-CZ 3.51Å; D369-R373 IonicContact OD2-NE 3.66Å; D369-R373 PolarHBondContact OD2-NE 2.87Å; D369-R373 IonicContact OD2-NH2 2.63Å; D369-R373 PolarHBondContact OD2-NH2 3.01Å
370	L	90.9	Very high	85.8	Confident	1 Å²	1	54.1 Å²	54.1	1%	0.005	27%	0.272	C	S	.	.	H	α-helix	trans	-61	-28.2	177.1	-150.6	82	0	0	0	112.8	S366 I367 P469 V470 L613 L616	S366-L370 WeakPolarHBondContact O-CB 3.31Å; S366-L370 PolarHBondContact O-N 3.3Å; I367-L370 PolarHBondContact O-N 3.24Å; L370-P469 VanDerWaalsContact O-CB 3.24Å; L370-P469 WeakPolarHBondContact O-CB 3.41Å; L370-P469 WeakPolarHBondContact O-CG 3.49Å; L370-V470 HydrophobicContact CB-CG2 4.23Å; L370-V470 HydrophobicContact CD2-CG2 3.93Å; L370-L613 HydrophobicContact CD1-CD2 4.17Å; L370-L613 HydrophobicContact CD1-CG 4.05Å; L370-L616 HydrophobicContact CD2-CB 3.62Å
371	M	89.9	Confident	85	Confident	48 Å²	48	57.2 Å²	57.2	24%	0.236	29%	0.289	C	S	.	.	H	α-helix	trans	-81	-14.1	172.9	-68.8	-176	79.8	0	0	114.6	I367 C368 D369 P469 V470 L641 L955	I367-M371 HydrophobicContact CG2-SD 4.21Å; I367-M371 WeakPolarHBondContact O-CB 3.38Å; I367-M371 VanDerWaalsContact O-CG 3.28Å; I367-M371 WeakPolarHBondContact O-CG 3.44Å; I367-M371 PolarHBondContact O-N 3.13Å; C368-M371 CarbonylContact O-C 3.55Å; C368-M371 PolarHBondContact O-N 3.23Å; D369-M371 PolarHBondContact O-N 3.49Å; M371-P469 HydrophobicContact CG-CG 4.38Å; M371-V470 HydrophobicContact CG-CB 4.05Å; M371-V470 HydrophobicContact CG-CG2 3.65Å; M371-V470 HydrophobicContact SD-CB 4.42Å; M371-V470 HydrophobicContact SD-CG2 4.48Å; M371-L641 HydrophobicContact CE-CD2 4.09Å; M371-L641 HydrophobicContact SD-CD2 3.76Å; M371-L955 HydrophobicContact SD-CD2 4.08Å
372	Q	86.1	Confident	84.4	Confident	118 Å²	118	52.9 Å²	52.9	55%	0.551	27%	0.274	S	S	*	.	H	α-helix	trans	-97.2	-22.7	175.9	-74.4	171.5	-4.8	0	0	113	C368 D369 S958	C368-Q372 VanDerWaalsContact O-CG 3.29Å; C368-Q372 WeakPolarHBondContact O-CG 3.4Å; C368-Q372 PolarHBondContact O-N 3.2Å; D369-Q372 WeakPolarHBondContact O-CA 2.84Å; D369-Q372 PolarHBondContact O-N 3.33Å; Q372-S958 PolarHBondContact NE2-OG 2.98Å
373	R	83.6	Confident	83.7	Confident	79 Å²	79	58 Å²	58	30%	0.298	29%	0.293	S	S	.	.	S	Bend	trans	-55.1	148	170.1	-70.1	176.7	-164.3	-152	-8	110.5	D369 C608 L613	D369-R373 WeakPolarHBondContact O-CG 3.38Å; D369-R373 PolarHBondContact O-N 3.24Å; D369-R373 IonicContact OD2-CZ 3.51Å; D369-R373 IonicContact OD2-NE 3.66Å; D369-R373 PolarHBondContact OD2-NE 2.87Å; D369-R373 IonicContact OD2-NH2 2.63Å; D369-R373 PolarHBondContact OD2-NH2 3.01Å; R373-C608 PolarHBondContact NH2-O 3.35Å; R373-L613 PolarHBondContact NH1-O 3.27Å
374	P	72.4	Confident	82.7	Confident	116 Å²	116	64.1 Å²	64.1	75%	0.753	32%	0.32	S	S	*	.			trans	-55.7	132.7	179.7	22.9	-33.9	0	0	0	110.6	W376	P374-W376 PolarHBondContact O-N 3.07Å
375	P	65.4	Low	81.9	Confident	78 Å²	78	64 Å²	64	51%	0.506	32%	0.319	S	S	.	.			trans	-69.2	105.3	-166.6	26.4	-34.8	0	0	0	110.9	R377	P375-R377 VanDerWaalsContact C-N 3.34Å; P375-R377 PolarHBondContact O-N 2.55Å
376	W	72.8	Confident	80.9	Confident	52 Å²	52	58.8 Å²	58.8	20%	0.197	30%	0.296	C	S	.	.			trans	-73.4	91.5	173.1	-175.6	57.5	0	0	0	109.7	P374 L378 I532 V586 K615	P374-W376 PolarHBondContact O-N 3.07Å; W376-L378 HydrophobicContact CE3-CD2 4.4Å; W376-L378 HydrophobicContact CH2-CD2 3.49Å; W376-L378 VanDerWaalsContact CH2-CD2 3.49Å; W376-L378 HydrophobicContact CZ2-CD2 3.68Å; W376-L378 HydrophobicContact CZ3-CD2 3.86Å; W376-I532 HydrophobicContact CH2-CB 4.48Å; W376-I532 HydrophobicContact CH2-CD1 3.71Å; W376-I532 HydrophobicContact CH2-CG1 3.81Å; W376-I532 HydrophobicContact CH2-CG2 3.8Å; W376-I532 HydrophobicContact CZ2-CD1 3.51Å; W376-I532 HydrophobicContact CZ2-CG1 3.63Å; W376-I532 HydrophobicContact CZ2-CG2 4.48Å; W376-V586 HydrophobicContact CH2-CG2 4Å; W376-V586 HydrophobicContact CZ3-CG2 3.62Å; W376-K615 HydrophobicContact CE3-CB 4.04Å; W376-K615 HydrophobicContact CZ3-CB 4.1Å; W376-K615 HydrophobicContact CZ3-CD 4.41Å; W376-K615 WeakPolarHBondContact O-CE 3.43Å; W376-K615 PolarHBondContact O-NZ 2.9Å
377	R	74.5	Confident	79.9	Confident	174 Å²	174	61 Å²	61	66%	0.657	32%	0.315	S	S	*	.			trans	-78.7	140	178.4	-64.6	-176.2	-178.1	-160.3	0.2	110.5	P375 C466	P375-R377 VanDerWaalsContact C-N 3.34Å; P375-R377 PolarHBondContact O-N 2.55Å; R377-C466 VanDerWaalsContact CA-O 3.3Å; R377-C466 WeakPolarHBondContact CA-O 3.44Å
378	L	77.6	Confident	78.7	Confident	14 Å²	14	62.7 Å²	62.7	7%	0.073	33%	0.326	C	S	.	.			trans	-95.1	111.9	170.1	-58.2	167.9	0	0	0	108.1	W376 V380 I465 C466 L488 F489 I492 I532 K615	W376-L378 HydrophobicContact CE3-CD2 4.4Å; W376-L378 HydrophobicContact CH2-CD2 3.49Å; W376-L378 VanDerWaalsContact CH2-CD2 3.49Å; W376-L378 HydrophobicContact CZ2-CD2 3.68Å; W376-L378 HydrophobicContact CZ3-CD2 3.86Å; L378-V380 VanDerWaalsContact C-N 3.32Å; L378-V380 HydrophobicContact CB-CG2 4.06Å; L378-V380 PolarHBondContact O-N 3.09Å; L378-I465 HydrophobicContact CD1-CG2 4.31Å; L378-C466 HydrophobicContact CB-CB 4.14Å; L378-C466 PolarHBondContact N-O 2.83Å; L378-C466 WeakPolarHBondContact O-CB 3.24Å; L378-L488 HydrophobicContact CD1-CD2 4.37Å; L378-F489 HydrophobicContact CD1-CE1 4.13Å; L378-F489 HydrophobicContact CD1-CZ 4.44Å; L378-I492 HydrophobicContact CD1-CD1 3.98Å; L378-I492 HydrophobicContact CD2-CD1 4.15Å; L378-I492 HydrophobicContact CG-CD1 4.43Å; L378-I532 HydrophobicContact CD2-CD1 4.43Å; L378-K615 HydrophobicContact CD1-CD 4.17Å
379	C	69.1	Low	77.4	Confident	131 Å²	131	63.8 Å²	63.8	89%	0.885	33%	0.332	S	S	*	.			trans	-80.4	79	178.2	-66.5	0	0	0	0	109.9
380	V	77.4	Confident	75.6	Confident	28 Å²	28	66.1 Å²	66.1	17%	0.17	34%	0.341	C	S	.	.			trans	-130.4	135.7	-173.5	-175	0	0	0	0	111.1	L378 V382 V385 L488 I492	L378-V380 VanDerWaalsContact C-N 3.32Å; L378-V380 HydrophobicContact CB-CG2 4.06Å; L378-V380 PolarHBondContact O-N 3.09Å; V380-V382 PolarHBondContact O-N 3.24Å; V380-V382 VanDerWaalsContact O-N 3.12Å; V380-V385 HydrophobicContact CG1-CG2 3.49Å; V380-V385 VanDerWaalsContact CG1-CG2 3.49Å; V380-L488 HydrophobicContact CB-CD1 4.29Å; V380-L488 HydrophobicContact CG1-CD1 3.98Å; V380-L488 HydrophobicContact CG2-CD1 4.37Å; V380-I492 HydrophobicContact CG2-CD1 3.99Å; V380-I492 HydrophobicContact CG2-CG1 3.6Å
381	D	78.9	Confident	73.4	Confident	65 Å²	65	71.6 Å²	71.6	35%	0.348	38%	0.375	S	S	.	.			trans	-72.7	99.2	171.7	-175.1	-23.9	0	0	0	110.6	K383 K384 V385	D381-K383 PolarHBondContact O-N 3.11Å; D381-K383 WeakPolarHBondContact OD1-CB 3.31Å; D381-K383 PolarHBondContact OD1-N 2.93Å; D381-K384 HydrophobicContact CB-CB 4.12Å; D381-K384 HydrophobicContact CB-CD 4.01Å; D381-K384 HydrophobicContact CB-CG 4.17Å; D381-K384 PolarHBondContact O-N 2.9Å; D381-K384 VanDerWaalsContact O-N 3.16Å; D381-K384 PolarHBondContact OD1-N 3.41Å; D381-K384 VanDerWaalsContact OD1-N 3.11Å; D381-K384 VanDerWaalsContact OD2-CD 3.25Å; D381-K384 WeakPolarHBondContact OD2-CD 3.36Å; D381-K384 WeakPolarHBondContact OD2-CE 3.43Å; D381-K384 WeakPolarHBondContact OD2-CG 3.28Å; D381-K384 IonicContact OD2-NZ 3.03Å; D381-K384 PolarHBondContact OD2-NZ 3.15Å; D381-V385 PolarHBondContact O-N 3.09Å; D381-V385 VanDerWaalsContact O-N 3.07Å
382	V	80.8	Confident	70.9	Confident	15 Å²	15	73.6 Å²	73.6	9%	0.091	39%	0.389	C	S	.	.	H	α-helix	trans	-59.1	-32.4	-179.9	173.5	0	0	0	0	112.3	V380 V385 L386 V459 L462 E463	V380-V382 PolarHBondContact O-N 3.24Å; V380-V382 VanDerWaalsContact O-N 3.12Å; V382-V385 PolarHBondContact O-N 2.87Å; V382-L386 HydrophobicContact CG1-CD1 4.2Å; V382-L386 WeakPolarHBondContact O-CG 3.42Å; V382-L386 PolarHBondContact O-N 3.01Å; V382-V459 HydrophobicContact CG1-CG1 4.19Å; V382-L462 HydrophobicContact CB-CB 4.45Å; V382-L462 HydrophobicContact CG1-CB 3.62Å; V382-L462 HydrophobicContact CG1-CD1 3.94Å; V382-L462 HydrophobicContact CG1-CG 4.44Å; V382-L462 HydrophobicContact CG2-CB 4.03Å; V382-E463 HydrophobicContact CG1-CG 4.47Å; V382-E463 HydrophobicContact CG2-CG 4.08Å
383	K	78.4	Confident	68.1	Low	126 Å²	126	76.9 Å²	76.9	55%	0.548	40%	0.402	S	S	.	.	H	α-helix	trans	-68.1	-41.9	177.5	-69.4	-168	174	-164.5	0	110.8	D381 L386 A387 L454	D381-K383 PolarHBondContact O-N 3.11Å; D381-K383 WeakPolarHBondContact OD1-CB 3.31Å; D381-K383 PolarHBondContact OD1-N 2.93Å; K383-L386 PolarHBondContact O-N 3.46Å; K383-A387 WeakPolarHBondContact O-CB 3.41Å; K383-A387 PolarHBondContact O-N 2.86Å; K383-L454 HydrophobicContact CB-CD1 4.48Å; K383-L454 HydrophobicContact CG-CD1 4.16Å
384	K	76.1	Confident	65.5	Low	129 Å²	129	78.5 Å²	78.5	56%	0.561	42%	0.423	S	S	*	.	H	α-helix	trans	-65.9	-40.2	175.6	-71.1	177.6	-174.1	124.2	0	112.7	D381 L386 A387 S388	D381-K384 HydrophobicContact CB-CB 4.12Å; D381-K384 HydrophobicContact CB-CD 4.01Å; D381-K384 HydrophobicContact CB-CG 4.17Å; D381-K384 PolarHBondContact O-N 2.9Å; D381-K384 VanDerWaalsContact O-N 3.16Å; D381-K384 PolarHBondContact OD1-N 3.41Å; D381-K384 VanDerWaalsContact OD1-N 3.11Å; D381-K384 VanDerWaalsContact OD2-CD 3.25Å; D381-K384 WeakPolarHBondContact OD2-CD 3.36Å; D381-K384 WeakPolarHBondContact OD2-CE 3.43Å; D381-K384 WeakPolarHBondContact OD2-CG 3.28Å; D381-K384 IonicContact OD2-NZ 3.03Å; D381-K384 PolarHBondContact OD2-NZ 3.15Å; K384-L386 VanDerWaalsContact C-N 3.31Å; K384-L386 PolarHBondContact O-N 3.35Å; K384-A387 PolarHBondContact O-N 3.48Å; K384-S388 PolarHBondContact O-N 2.83Å; K384-S388 VanDerWaalsContact O-N 3.14Å
385	V	78.1	Confident	63.3	Low	0 Å²	0	82 Å²	82	0%	0	43%	0.429	C	S	.	.	H	α-helix	trans	-57.2	-45.5	172.9	174.8	0	0	0	0	110.6	V380 D381 V382 S388 L462 R487 L488 H491	V380-V385 HydrophobicContact CG1-CG2 3.49Å; V380-V385 VanDerWaalsContact CG1-CG2 3.49Å; D381-V385 PolarHBondContact O-N 3.09Å; D381-V385 VanDerWaalsContact O-N 3.07Å; V382-V385 PolarHBondContact O-N 2.87Å; V385-S388 PolarHBondContact O-N 2.63Å; V385-S388 PolarHBondContact O-OG 3.28Å; V385-L462 HydrophobicContact CG1-CD1 4.02Å; V385-R487 HydrophobicContact CG1-CB 4.4Å; V385-L488 HydrophobicContact CG1-CB 4.34Å; V385-L488 HydrophobicContact CG2-CD1 4.13Å; V385-H491 HydrophobicContact CG2-CB 4.02Å
386	L	75	Confident	61.4	Low	1 Å²	1	86 Å²	86	1%	0.005	45%	0.447	C	S	.	.	H	α-helix	trans	-74.3	-32.8	178.5	-66.3	175.2	0	0	0	113.6	V382 K383 K384 S388 I389 H390 L454 Q458 V459 L462 I484	V382-L386 HydrophobicContact CG1-CD1 4.2Å; V382-L386 WeakPolarHBondContact O-CG 3.42Å; V382-L386 PolarHBondContact O-N 3.01Å; K383-L386 PolarHBondContact O-N 3.46Å; K384-L386 VanDerWaalsContact C-N 3.31Å; K384-L386 PolarHBondContact O-N 3.35Å; L386-S388 PolarHBondContact O-N 2.89Å; L386-I389 HydrophobicContact CD2-CD1 3.58Å; L386-I389 HydrophobicContact CD2-CG1 4.4Å; L386-I389 WeakPolarHBondContact O-CA 3.39Å; L386-I389 WeakPolarHBondContact O-CB 3.17Å; L386-I389 PolarHBondContact O-N 3.02Å; L386-H390 PolarHBondContact O-CD2 3Å; L386-H390 VanDerWaalsContact O-CD2 3.32Å; L386-L454 HydrophobicContact CB-CD2 3.72Å; L386-L454 HydrophobicContact CD1-CD2 4.34Å; L386-Q458 HydrophobicContact CD2-CB 4.26Å; L386-V459 HydrophobicContact CD1-CB 4.24Å; L386-V459 HydrophobicContact CD1-CG2 3.39Å; L386-L462 HydrophobicContact CD1-CD1 4.2Å; L386-L462 HydrophobicContact CD2-CD1 3.47Å; L386-L462 VanDerWaalsContact CD2-CD1 3.47Å; L386-L462 HydrophobicContact CG-CD1 3.66Å; L386-I484 HydrophobicContact CD2-CG2 4.38Å
387	A	72.2	Confident	59.1	Low	51 Å²	51	88.5 Å²	88.5	42%	0.421	47%	0.472	S	S	.	.	H	α-helix	trans	-57.6	-40.9	172.2	0	0	0	0	0	111.2	K383 K384 I389 H390 T391	K383-A387 WeakPolarHBondContact O-CB 3.41Å; K383-A387 PolarHBondContact O-N 2.86Å; K384-A387 PolarHBondContact O-N 3.48Å; A387-I389 PolarHBondContact O-N 3.24Å; A387-I389 VanDerWaalsContact O-N 3.11Å; A387-H390 PolarHBondContact O-N 3.15Å; A387-T391 PolarHBondContact O-N 3Å
388	S	69.8	Low	56.9	Low	36 Å²	36	85.5 Å²	85.5	25%	0.252	48%	0.477	S	S	.	.	H	α-helix	trans	-63.6	-13.3	173.5	84.7	0	0	0	0	114.7	K384 V385 L386 T392 R487	K384-S388 PolarHBondContact O-N 2.83Å; K384-S388 VanDerWaalsContact O-N 3.14Å; V385-S388 PolarHBondContact O-N 2.63Å; V385-S388 PolarHBondContact O-OG 3.28Å; L386-S388 PolarHBondContact O-N 2.89Å; S388-T392 PolarHBondContact O-OG1 3.02Å; S388-T392 VanDerWaalsContact O-OG1 3.08Å; S388-R487 PolarHBondContact O-NE 3.16Å; S388-R487 WeakPolarHBondContact OG-CD 3.41Å
389	I	64.2	Low	54.3	Low	28 Å²	28	92.8 Å²	92.8	14%	0.144	52%	0.516	C	S	.	.	H	α-helix	trans	-74.3	-34	172.9	-62.1	-167.3	0	0	0	111.8	L386 A387 I484 R487	L386-I389 HydrophobicContact CD2-CD1 3.58Å; L386-I389 HydrophobicContact CD2-CG1 4.4Å; L386-I389 WeakPolarHBondContact O-CA 3.39Å; L386-I389 WeakPolarHBondContact O-CB 3.17Å; L386-I389 PolarHBondContact O-N 3.02Å; A387-I389 PolarHBondContact O-N 3.24Å; A387-I389 VanDerWaalsContact O-N 3.11Å; I389-I484 HydrophobicContact CD1-CG2 3.93Å; I389-R487 HydrophobicContact CG1-CB 4.36Å; I389-R487 HydrophobicContact CG1-CG 4.08Å; I389-R487 PolarHBondContact O-NH2 3.37Å
390	H	55.1	Low	52.3	Low	98 Å²	98	94.2 Å²	94.2	45%	0.454	52%	0.515	S	S	.	.	H	α-helix	trans	-98.4	-22.2	-168.9	-66.2	-74.7	0	0	0	114.1	L386 A387	L386-H390 PolarHBondContact O-CD2 3Å; L386-H390 VanDerWaalsContact O-CD2 3.32Å; A387-H390 PolarHBondContact O-N 3.15Å
391	T	44.5	Very low	49.9	Very low	117 Å²	117	96.8 Å²	96.8	72%	0.718	54%	0.54	S	S	*	.	S	Bend	trans	-74.3	-24.2	176.5	52.1	0	0	0	0	113.8	A387 K393	A387-T391 PolarHBondContact O-N 3Å; T391-K393 PolarHBondContact O-N 3.36Å
392	T	37.6	Very low	47.3	Very low	89 Å²	89	101.1 Å²	101.1	55%	0.546	56%	0.562	S	S	.	*			trans	-90.8	82.8	-179.4	25	0	0	0	0	112.1	S388 R487	S388-T392 PolarHBondContact O-OG1 3.02Å; S388-T392 VanDerWaalsContact O-OG1 3.08Å; T392-R487 PolarHBondContact OG1-NH2 2.72Å
393	K	26.2	Very low	44.6	Very low	187 Å²	187	107.3 Å²	107.3	81%	0.813	60%	0.595	S	S	*	*			trans	-74.6	157.3	153.7	-85.3	-177.4	176.5	177.1	0	109.9	T391 E395	T391-K393 PolarHBondContact O-N 3.36Å; K393-E395 PolarHBondContact O-N 3.31Å
394	P	28.9	Very low	42	Very low	114 Å²	114	110.1 Å²	110.1	74%	0.74	61%	0.609	S	S	*	*			trans	-80.4	113.2	-178.1	31.1	-33.1	0	0	0	111.8	N396	P394-N396 PolarHBondContact O-N 3.19Å
395	E	25.9	Very low	39.6	Very low	189 Å²	189	109.4 Å²	109.4	88%	0.883	62%	0.621	S	S	*	*			trans	-70.3	107.4	158.1	-71.8	171.8	164.9	0	0	107.9	K393	K393-E395 PolarHBondContact O-N 3.31Å
396	N	26.1	Very low	37	Very low	163 Å²	163	119 Å²	119	87%	0.872	66%	0.663	S	S	*	*			trans	-142.9	49.3	179.9	-117.7	9.8	0	0	0	109.7	P394	P394-N396 PolarHBondContact O-N 3.19Å
397	S	25.6	Very low	34.8	Very low	104 Å²	104	124 Å²	124	73%	0.727	70%	0.695	S	S	*	*	S	Bend	trans	-139.5	118.8	166.2	50	0	0	0	0	107	D399	S397-D399 PolarHBondContact O-N 3.34Å
398	S	27.1	Very low	32.4	Very low	111 Å²	111	128.7 Å²	128.7	78%	0.776	71%	0.713	S	S	*	*			trans	-81	106.3	-175	51	0	0	0	0	111.5	D400	S398-D400 PolarHBondContact O-N 2.88Å
399	D	23.2	Very low	30.3	Very low	166 Å²	166	135.9 Å²	135.9	89%	0.888	74%	0.743	S	S	*	*			trans	-87.3	93.3	157.4	-81.2	-29.6	0	0	0	108.7	S397	S397-D399 PolarHBondContact O-N 3.34Å
400	D	27.3	Very low	28.5	Very low	161 Å²	161	138.3 Å²	138.3	86%	0.861	77%	0.767	S	S	*	*			trans	-87.7	142.7	162	-107.8	-42.3	0	0	0	109.3	S398	S398-D400 PolarHBondContact O-N 2.88Å
401	A	26.1	Very low	27	Very low	83 Å²	83	144.5 Å²	144.5	69%	0.686	79%	0.786	S	S	*	*			trans	-102.8	134.2	-152.6	0	0	0	0	0	116.4
402	L	25.6	Very low	26.1	Very low	155 Å²	155	145.4 Å²	145.4	81%	0.812	79%	0.786	S	S	*	*			trans	78.4	147	146.3	-66.8	163.5	0	0	0	121.7
403	N	23.7	Very low	25.5	Very low	146 Å²	146	148.1 Å²	148.1	78%	0.781	79%	0.793	S	S	*	*			trans	64.7	114.3	163.4	-57.8	-26	0	0	0	116.8
404	E	24.5	Very low	25.4	Very low	184 Å²	184	145.4 Å²	145.4	86%	0.86	79%	0.787	S	S	*	*				-154.4	159.7	68.1	-91.9	-175.1	159.7	0	0	115.7
405	S	24.7	Very low	25.3	Very low	114 Å²	114	146.1 Å²	146.1	80%	0.797	79%	0.792	S	S	*	*			trans	65.6	125.9	159.5	70.4	0	0	0	0	120.9
406	K	22.7	Very low	25.3	Very low	203 Å²	203	143.5 Å²	143.5	88%	0.883	79%	0.788	S	S	*	*			trans	-78	154.8	149.5	-68	-177.6	169.6	-176.8	0	108.6
407	P	29.8	Very low	25.3	Very low	104 Å²	104	142.9 Å²	142.9	68%	0.675	79%	0.785	S	S	*	*				-148.5	163.7	87.9	38.6	-20.7	0	0	0	117.5
408	D	22	Very low	25.3	Very low	151 Å²	151	144.8 Å²	144.8	81%	0.807	79%	0.792	S	S	*	*			trans	65.5	133.4	145.6	-55.5	-11.3	0	0	0	125.5
409	E	26.2	Very low	25.3	Very low	187 Å²	187	145.8 Å²	145.8	87%	0.874	79%	0.793	S	S	*	*			trans	-13.4	146.5	155	-42.2	-175.4	155.7	0	0	117.7
410	A	25.4	Very low	25.5	Very low	79 Å²	79	143 Å²	143	65%	0.653	78%	0.778	S	S	*	*				175.7	150.8	58.5	0	0	0	0	0	114.6
411	R	23.7	Very low	25.5	Very low	227 Å²	227	142 Å²	142	86%	0.857	78%	0.778	S	S	*	*			trans	73	137	137.2	-78.1	174.5	-170.5	-163.8	2.9	124.3
412	L	25.7	Very low	25.5	Very low	136 Å²	136	146 Å²	146	71%	0.712	78%	0.782	S	S	*	*			trans	67.3	147.2	150.3	-86.6	85.1	0	0	0	119.1
413	E	25.3	Very low	25.5	Very low	147 Å²	147	146.1 Å²	146.1	69%	0.687	78%	0.784	S	S	*	*			cis	-162.1	156.1	-25.5	-131.8	170.2	-134.8	0	0	110.9
414	N	24.2	Very low	25.7	Very low	129 Å²	129	144.2 Å²	144.2	69%	0.69	78%	0.782	S	S	*	*			trans	10.8	130.1	162.7	-52.8	-26.6	0	0	0	122.2
415	P	27	Very low	25.7	Very low	130 Å²	130	139.1 Å²	139.1	84%	0.844	78%	0.779	S	S	*	*			trans	-77.5	169.2	150.4	35.9	-33.5	0	0	0	111.7
416	V	26.1	Very low	25.8	Very low	134 Å²	134	140.1 Å²	140.1	81%	0.812	78%	0.775	S	S	*	*			trans	-126.6	138.6	-177.6	175.6	0	0	0	0	111.2
417	D	24.6	Very low	26	Very low	149 Å²	149	138.7 Å²	138.7	80%	0.797	77%	0.771	S	S	*	*			trans	-70.3	145.6	179.7	-57	-73.9	0	0	0	114.6
418	V	27.1	Very low	25.9	Very low	144 Å²	144	139.4 Å²	139.4	87%	0.873	77%	0.768	S	S	*	*			trans	-138.5	100.4	157	-177.1	0	0	0	0	111.8
419	V	26.8	Very low	26	Very low	132 Å²	132	142.6 Å²	142.6	80%	0.8	77%	0.769	S	S	*	*			trans	-55	146.3	161.9	157.9	0	0	0	0	111.5
420	D	26.4	Very low	25.9	Very low	108 Å²	108	139.6 Å²	139.6	58%	0.578	76%	0.764	S	S	*	*			cis	-171.4	169.9	-7.5	166.4	53.7	0	0	0	108
421	T	26.9	Very low	25.8	Very low	139 Å²	139	142.4 Å²	142.4	85%	0.853	77%	0.768	S	S	*	*			trans	-168	151	138.2	12	0	0	0	0	115.3
422	Q	26.6	Very low	25.9	Very low	167 Å²	167	135.4 Å²	135.4	78%	0.78	77%	0.767	S	S	*	*			trans	-98.8	160.3	-170.4	-57	160.2	-19.4	0	0	113.7
423	D	26	Very low	26	Very low	159 Å²	159	137.3 Å²	137.3	85%	0.85	77%	0.772	S	S	*	*				-153.9	-179.3	121.9	-147.9	-13.9	0	0	0	111.8
424	S	27.4	Very low	26.1	Very low	105 Å²	105	138.5 Å²	138.5	73%	0.734	78%	0.783	S	S	*	*			trans	-137	159.6	-139.8	-31.9	0	0	0	0	114
425	G	25.4	Very low	26.2	Very low	78 Å²	78	141 Å²	141	80%	0.804	79%	0.791	S	S	*	*			trans	170.3	98.4	169.4	0	0	0	0	0	116.3
426	D	26.4	Very low	26.2	Very low	135 Å²	135	142.5 Å²	142.5	72%	0.722	79%	0.79	S	S	*	*			trans	-71	153.6	-173.6	-61.3	-61.3	0	0	0	117
427	H	27.6	Very low	26.1	Very low	172 Å²	172	143.3 Å²	143.3	80%	0.796	79%	0.789	S	S	*	*				176.2	122.1	114.9	-81.8	-43.1	0	0	0	109.2
428	I	27.3	Very low	26.2	Very low	119 Å²	119	140.2 Å²	140.2	61%	0.61	79%	0.785	S	S	*	*				63	117.2	63.3	-59.8	175	0	0	0	110.8
429	W	24.3	Very low	26.1	Very low	218 Å²	218	141.9 Å²	141.9	83%	0.826	78%	0.783	S	S	*	*			cis	-149.7	-167.5	4.3	-125.4	-26.2	0	0	0	108.8
430	T	24	Very low	26.2	Very low	125 Å²	125	143.4 Å²	143.4	77%	0.767	79%	0.785	S	S	*	*			cis	-153.7	-178.9	18.9	-21	0	0	0	0	110.9
431	N	23.5	Very low	26.2	Very low	138 Å²	138	143.5 Å²	143.5	74%	0.738	79%	0.794	S	S	*	*			trans	-82.7	164.2	-174.5	-55.7	7	0	0	0	115.8
432	G	25.8	Very low	26.2	Very low	80 Å²	80	146.1 Å²	146.1	83%	0.825	80%	0.796	S	S	*	*			trans	-172.7	79.9	165	0	0	0	0	0	112.9
433	E	26.4	Very low	26.1	Very low	176 Å²	176	144 Å²	144	82%	0.822	79%	0.794	S	S	*	*			trans	-78.6	143.7	-176.4	-62.6	171.1	157.4	0	0	113.3
434	N	27.4	Very low	26.4	Very low	172 Å²	172	144.9 Å²	144.9	92%	0.92	79%	0.794	S	S	*	*			trans	-170.9	124.2	140.2	-97.5	-47.1	0	0	0	110
435	E	27	Very low	26.4	Very low	182 Å²	182	147.8 Å²	147.8	85%	0.85	80%	0.8	S	S	*	*			trans	-83.7	150.6	170	-60.6	179.2	119.7	0	0	110.9
436	I	27.4	Very low	26.6	Very low	161 Å²	161	151.2 Å²	151.2	83%	0.826	80%	0.8	S	S	*	*				-179.2	143.7	117.8	-90.7	156.3	0	0	0	110.1
437	N	24.3	Very low	26.8	Very low	151 Å²	151	152.7 Å²	152.7	81%	0.807	80%	0.803	S	S	*	*			trans	-57.8	166.1	-176.7	-45.8	-66.3	0	0	0	113.8
438	A	25.4	Very low	26.9	Very low	84 Å²	84	151.9 Å²	151.9	69%	0.694	80%	0.804	S	S	*	*			cis	-160.6	-173.8	23.9	0	0	0	0	0	114.4
439	E	26.1	Very low	27.3	Very low	178 Å²	178	154 Å²	154	83%	0.832	81%	0.811	S	S	*	*			trans	74.4	71.8	155.7	-69	177	-172.4	0	0	119.8
440	I	28.1	Very low	27.8	Very low	165 Å²	165	149.6 Å²	149.6	85%	0.846	81%	0.808	S	S	*	*				31.1	105.3	127.2	-49.9	173.7	0	0	0	117.4
441	S	27.1	Very low	28.5	Very low	110 Å²	110	151.5 Å²	151.5	77%	0.769	81%	0.808	S	S	*	*			trans	-150.6	125	137.7	42.9	0	0	0	0	109.6	V443	S441-V443 PolarHBondContact O-N 3.47Å; S441-V443 VanDerWaalsContact O-N 3.1Å
442	E	26.6	Very low	29.6	Very low	193 Å²	193	148.7 Å²	148.7	90%	0.902	80%	0.796	S	S	*	*			trans	-81.5	97	-170.3	-69.4	-173.7	138.9	0	0	112.2
443	V	25.4	Very low	31.1	Very low	122 Å²	122	150.9 Å²	150.9	74%	0.739	80%	0.796	S	S	*	*			trans	24.9	127.7	130.5	179.4	0	0	0	0	117.5	S441 L445	S441-V443 PolarHBondContact O-N 3.47Å; S441-V443 VanDerWaalsContact O-N 3.1Å; V443-L445 PolarHBondContact O-N 3.23Å
444	Q	30.6	Very low	33.1	Very low	179 Å²	179	145 Å²	145	84%	0.836	77%	0.77	S	S	*	*			trans	-54.6	118.6	166.3	-60.9	145.2	-86.9	0	0	111	D446	Q444-D446 PolarHBondContact O-N 3.25Å
445	L	27.5	Very low	35.7	Very low	165 Å²	165	138.1 Å²	138.1	86%	0.864	73%	0.733	S	S	*	*			trans	-84.7	109.4	164.6	-81.9	169.9	0	0	0	109.6	V443 Q447	V443-L445 PolarHBondContact O-N 3.23Å; L445-Q447 PolarHBondContact O-N 3.02Å; L445-Q447 VanDerWaalsContact O-N 3.12Å
446	D	30.1	Very low	38.6	Very low	150 Å²	150	139.6 Å²	139.6	80%	0.802	73%	0.731	S	S	*	*			trans	-56.3	113.9	164.1	-76.7	-53.2	0	0	0	109.3	Q444 D448	Q444-D446 PolarHBondContact O-N 3.25Å; D446-D448 PolarHBondContact O-N 3.08Å
447	Q	30.4	Very low	41.5	Very low	167 Å²	167	133.2 Å²	133.2	78%	0.78	70%	0.698	S	S	*	*			trans	-78.9	95.9	156.7	-75.8	-169.1	-6.6	0	0	107.6	L445 Q449	L445-Q447 PolarHBondContact O-N 3.02Å; L445-Q447 VanDerWaalsContact O-N 3.12Å; Q447-Q449 PolarHBondContact O-N 3.17Å
448	D	30.7	Very low	44.6	Very low	155 Å²	155	126.5 Å²	126.5	83%	0.829	66%	0.662	S	S	*	*			trans	-54.4	87.1	156.4	-98.6	-36.2	0	0	0	108.4	D446 V450	D446-D448 PolarHBondContact O-N 3.08Å; D448-V450 VanDerWaalsContact C-N 3.29Å; D448-V450 PolarHBondContact O-N 3Å
449	Q	35.8	Very low	47.7	Very low	163 Å²	163	123.9 Å²	123.9	76%	0.762	64%	0.637	S	S	*	*			trans	-67.5	96.5	168.3	-69.8	-170.5	15.7	0	0	106.7	Q447 E451	Q447-Q449 PolarHBondContact O-N 3.17Å; Q449-E451 PolarHBondContact O-N 3.14Å
450	V	33.9	Very low	50.7	Low	125 Å²	125	117 Å²	117	76%	0.758	61%	0.611	S	S	*	*			trans	-45.9	107	163.3	176.9	0	0	0	0	106.9	D448 V452	D448-V450 VanDerWaalsContact C-N 3.29Å; D448-V450 PolarHBondContact O-N 3Å; V450-V452 PolarHBondContact O-N 2.89Å
451	E	39.4	Very low	53.7	Low	165 Å²	165	109.1 Å²	109.1	77%	0.771	57%	0.57	S	S	*	*			trans	-64.5	89.7	179.1	-88	-152.6	127.1	0	0	108.2	Q449 P453	Q449-E451 PolarHBondContact O-N 3.14Å; E451-P453 WeakPolarHBondContact O-CD 3.35Å; E451-P453 VanDerWaalsContact O-N 3.09Å
452	V	46.1	Very low	56.8	Low	79 Å²	79	103.9 Å²	103.9	48%	0.479	53%	0.534	S	S	.	.			trans	-54.9	118.1	174.7	177.5	0	0	0	0	106.6	V450 L454	V450-V452 PolarHBondContact O-N 2.89Å; V452-L454 PolarHBondContact O-N 3.44Å
453	P	56.5	Low	59.9	Low	127 Å²	127	99.5 Å²	99.5	83%	0.825	51%	0.513	S	S	*	.			trans	-67.4	95.8	-168.5	23.6	-33.3	0	0	0	110.9	E451	E451-P453 WeakPolarHBondContact O-CD 3.35Å; E451-P453 VanDerWaalsContact O-N 3.09Å
454	L	69.8	Low	63	Low	52 Å²	52	94 Å²	94	27%	0.272	48%	0.479	S	S	.	.			trans	-59.7	134.8	-178.1	-67.4	173.9	0	0	0	110.8	K383 L386 V452 R456 V459	K383-L454 HydrophobicContact CB-CD1 4.48Å; K383-L454 HydrophobicContact CG-CD1 4.16Å; L386-L454 HydrophobicContact CB-CD2 3.72Å; L386-L454 HydrophobicContact CD1-CD2 4.34Å; V452-L454 PolarHBondContact O-N 3.44Å; L454-R456 PolarHBondContact O-N 2.76Å; L454-V459 HydrophobicContact CB-CG2 4.1Å
455	D	82.7	Confident	65.9	Low	27 Å²	27	85.4 Å²	85.4	14%	0.144	44%	0.44	C	S	.	.			trans	-67.1	109.8	178	-179.2	15.5	0	0	0	110.7	D457 Q458 V459 T652 H654	D455-D457 PolarHBondContact O-N 3Å; D455-D457 PolarHBondContact OD1-N 3.34Å; D455-Q458 HydrophobicContact CB-CB 4.2Å; D455-Q458 HydrophobicContact CB-CG 4.17Å; D455-Q458 WeakPolarHBondContact O-CA 3.19Å; D455-Q458 WeakPolarHBondContact O-CB 3.36Å; D455-Q458 PolarHBondContact O-N 2.81Å; D455-Q458 WeakPolarHBondContact OD2-CG 3.36Å; D455-V459 WeakPolarHBondContact O-CG2 3.31Å; D455-V459 PolarHBondContact O-N 2.62Å; D455-T652 PolarHBondContact OD1-OG1 3.36Å; D455-T652 WeakPolarHBondContact OD2-CB 3.41Å; D455-T652 PolarHBondContact OD2-OG1 3.01Å; D455-H654 IonicContact OD2-CE1 2.71Å; D455-H654 PolarHBondContact OD2-CE1 3.39Å; D455-H654 IonicContact OD2-NE2 3.32Å; D455-H654 PolarHBondContact OD2-NE2 3.17Å
456	R	86.2	Confident	68.8	Low	214 Å²	214	78 Å²	78	81%	0.808	40%	0.401	S	S	*	.	H	α-helix	trans	-57.5	-32.3	-177.7	-61.1	-177	-178.3	-170.6	-0.2	112.6	L454 A460	L454-R456 PolarHBondContact O-N 2.76Å; R456-A460 WeakPolarHBondContact O-CB 3.48Å; R456-A460 PolarHBondContact O-N 2.8Å; R456-A460 VanDerWaalsContact O-N 3.09Å
457	D	88.2	Confident	71.6	Confident	27 Å²	27	73.8 Å²	73.8	14%	0.144	38%	0.384	C	S	.	.	H	α-helix	trans	-67.9	-37.5	176.1	-82.9	1	0	0	0	111.2	D455 A461 L650 K651	D455-D457 PolarHBondContact O-N 3Å; D455-D457 PolarHBondContact OD1-N 3.34Å; D457-A461 VanDerWaalsContact O-CB 3.32Å; D457-A461 WeakPolarHBondContact O-CB 3.43Å; D457-A461 PolarHBondContact O-N 3.07Å; D457-A461 VanDerWaalsContact O-N 3.13Å; D457-L650 VanDerWaalsContact C-CD2 3.47Å; D457-L650 HydrophobicContact CB-CD2 3.82Å; D457-L650 WeakPolarHBondContact O-CD2 3.39Å; D457-K651 IonicContact OD1-NZ 2.67Å; D457-K651 PolarHBondContact OD1-NZ 3.08Å; D457-K651 WeakPolarHBondContact OD2-CB 3.44Å; D457-K651 WeakPolarHBondContact OD2-CG 3.29Å; D457-K651 PolarHBondContact OD2-N 3.17Å; D457-K651 IonicContact OD2-NZ 2.69Å; D457-K651 PolarHBondContact OD2-NZ 2.88Å
458	Q	90.3	Very high	74.5	Confident	10 Å²	10	67.3 Å²	67.3	5%	0.047	35%	0.354	C	S	.	.	H	α-helix	trans	-74.4	-40.1	176.2	-70.7	-176.3	28.1	0	0	112.9	L386 D455 A461 L462 I484 H654	L386-Q458 HydrophobicContact CD2-CB 4.26Å; D455-Q458 HydrophobicContact CB-CB 4.2Å; D455-Q458 HydrophobicContact CB-CG 4.17Å; D455-Q458 WeakPolarHBondContact O-CA 3.19Å; D455-Q458 WeakPolarHBondContact O-CB 3.36Å; D455-Q458 PolarHBondContact O-N 2.81Å; D455-Q458 WeakPolarHBondContact OD2-CG 3.36Å; Q458-A461 PolarHBondContact O-N 2.7Å; Q458-L462 PolarHBondContact O-N 2.67Å; Q458-I484 HydrophobicContact CB-CG2 4.17Å; Q458-I484 HydrophobicContact CG-CG2 3.91Å; Q458-H654 PolarHBondContact NE2-CD2 2.93Å; Q458-H654 VanDerWaalsContact NE2-CD2 3.33Å; Q458-H654 PolarHBondContact NE2-CE1 3.46Å; Q458-H654 PolarHBondContact NE2-NE2 3.36Å
459	V	89.4	Confident	77.4	Confident	29 Å²	29	60.6 Å²	60.6	18%	0.176	32%	0.319	C	S	.	.	H	α-helix	trans	-54.7	-56.9	173.4	175.1	0	0	0	0	109.6	V382 L386 L454 D455 A461 L462 E463	V382-V459 HydrophobicContact CG1-CG1 4.19Å; L386-V459 HydrophobicContact CD1-CB 4.24Å; L386-V459 HydrophobicContact CD1-CG2 3.39Å; L454-V459 HydrophobicContact CB-CG2 4.1Å; D455-V459 WeakPolarHBondContact O-CG2 3.31Å; D455-V459 PolarHBondContact O-N 2.62Å; V459-A461 PolarHBondContact O-N 3.33Å; V459-L462 PolarHBondContact O-N 3.21Å; V459-L462 VanDerWaalsContact O-N 3.11Å; V459-E463 HydrophobicContact CG1-CG 4.41Å; V459-E463 WeakPolarHBondContact CG1-OE1 3.33Å; V459-E463 WeakPolarHBondContact O-CG 3.35Å; V459-E463 PolarHBondContact O-N 2.87Å
460	A	90	Very high	80.2	Confident	33 Å²	33	52.8 Å²	52.8	27%	0.273	28%	0.283	S	S	.	.	H	α-helix	trans	-62.4	-30.9	-179.1	0	0	0	0	0	112.7	R456 M464 I648	R456-A460 WeakPolarHBondContact O-CB 3.48Å; R456-A460 PolarHBondContact O-N 2.8Å; R456-A460 VanDerWaalsContact O-N 3.09Å; A460-M464 WeakPolarHBondContact O-CB 3.42Å; A460-M464 PolarHBondContact O-N 3.03Å; A460-I648 HydrophobicContact CB-CD1 3.58Å
461	A	92.1	Very high	83.2	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-70.3	-38.7	175	0	0	0	0	0	113	D457 Q458 V459 M464 I465 I473 I484 I648 L650	D457-A461 VanDerWaalsContact O-CB 3.32Å; D457-A461 WeakPolarHBondContact O-CB 3.43Å; D457-A461 PolarHBondContact O-N 3.07Å; D457-A461 VanDerWaalsContact O-N 3.13Å; Q458-A461 PolarHBondContact O-N 2.7Å; V459-A461 PolarHBondContact O-N 3.33Å; A461-M464 PolarHBondContact O-N 2.81Å; A461-I465 VanDerWaalsContact O-CG1 3.31Å; A461-I465 WeakPolarHBondContact O-CG1 3.29Å; A461-I465 PolarHBondContact O-N 2.85Å; A461-I473 HydrophobicContact CB-CD1 4.05Å; A461-I484 HydrophobicContact CB-CD1 3.92Å; A461-I648 HydrophobicContact CB-CD1 4.32Å; A461-I648 HydrophobicContact CB-CG2 3.76Å; A461-L650 HydrophobicContact CB-CD2 3.89Å
462	L	91.6	Very high	85.9	Confident	0 Å²	0	39 Å²	39	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-69.5	-44.9	174.7	-74.4	173.1	0	0	0	111.5	V382 V385 L386 Q458 V459 M464 I465 C466 I484 L488	V382-L462 HydrophobicContact CB-CB 4.45Å; V382-L462 HydrophobicContact CG1-CB 3.62Å; V382-L462 HydrophobicContact CG1-CD1 3.94Å; V382-L462 HydrophobicContact CG1-CG 4.44Å; V382-L462 HydrophobicContact CG2-CB 4.03Å; V385-L462 HydrophobicContact CG1-CD1 4.02Å; L386-L462 HydrophobicContact CD1-CD1 4.2Å; L386-L462 HydrophobicContact CD2-CD1 3.47Å; L386-L462 VanDerWaalsContact CD2-CD1 3.47Å; L386-L462 HydrophobicContact CG-CD1 3.66Å; Q458-L462 PolarHBondContact O-N 2.67Å; V459-L462 PolarHBondContact O-N 3.21Å; V459-L462 VanDerWaalsContact O-N 3.11Å; L462-M464 PolarHBondContact O-N 3.48Å; L462-I465 HydrophobicContact CD2-CD1 4.29Å; L462-I465 PolarHBondContact O-N 3.4Å; L462-I465 VanDerWaalsContact O-N 3.11Å; L462-C466 PolarHBondContact O-N 3.37Å; L462-C466 PolarHBondContact O-SG 3.42Å; L462-C466 VanDerWaalsContact O-SG 3.34Å; L462-I484 HydrophobicContact CD2-CB 4.16Å; L462-I484 HydrophobicContact CG-CB 4.35Å; L462-L488 HydrophobicContact CD2-CB 3.84Å; L462-L488 HydrophobicContact CD2-CD1 4.43Å; L462-L488 HydrophobicContact CD2-CD2 3.91Å; L462-L488 HydrophobicContact CD2-CG 4.27Å
463	E	90.4	Very high	88.4	Confident	100 Å²	100	35.2 Å²	35.2	47%	0.467	19%	0.187	S	C	.	.	H	α-helix	trans	-55.7	-40.1	172.2	-69.9	173.4	168.4	0	0	112	V382 V459 C466 S467	V382-E463 HydrophobicContact CG1-CG 4.47Å; V382-E463 HydrophobicContact CG2-CG 4.08Å; V459-E463 HydrophobicContact CG1-CG 4.41Å; V459-E463 WeakPolarHBondContact CG1-OE1 3.33Å; V459-E463 WeakPolarHBondContact O-CG 3.35Å; V459-E463 PolarHBondContact O-N 2.87Å; E463-C466 PolarHBondContact O-N 3.45Å; E463-S467 VanDerWaalsContact O-CB 3.26Å; E463-S467 WeakPolarHBondContact O-CB 3.47Å; E463-S467 PolarHBondContact O-N 3.28Å; E463-S467 PolarHBondContact O-OG 2.91Å
464	M	91.6	Very high	90.2	Very high	6 Å²	6	29.2 Å²	29.2	3%	0.03	15%	0.148	C	C	.	.	H	α-helix	trans	-68.4	-38.1	175.9	-169.4	179.1	-65.3	0	0	112.8	A460 A461 L462 N468 T471 N645 C646 A647 I648	A460-M464 WeakPolarHBondContact O-CB 3.42Å; A460-M464 PolarHBondContact O-N 3.03Å; A461-M464 PolarHBondContact O-N 2.81Å; L462-M464 PolarHBondContact O-N 3.48Å; M464-N468 VanDerWaalsContact CG-ND2 3.31Å; M464-N468 WeakPolarHBondContact CG-ND2 3.41Å; M464-N468 WeakPolarHBondContact O-CB 3.1Å; M464-N468 PolarHBondContact O-N 2.97Å; M464-N468 VanDerWaalsContact O-N 3.13Å; M464-N468 PolarHBondContact O-ND2 2.87Å; M464-T471 HydrophobicContact CB-CG2 4.24Å; M464-T471 HydrophobicContact CG-CG2 3.72Å; M464-T471 PolarHBondContact O-OG1 3.43Å; M464-T471 HydrophobicContact SD-CG2 3.91Å; M464-N645 WeakPolarHBondContact CE-O 3.47Å; M464-N645 VanDerWaalsContact CE-OD1 3.28Å; M464-N645 WeakPolarHBondContact CE-OD1 3.49Å; M464-N645 WeakPolarHBondContact CG-O 3.38Å; M464-C646 VanDerWaalsContact SD-C 3.52Å; M464-A647 PolarHBondContact SD-N 3.27Å; M464-A647 VanDerWaalsContact SD-N 3.43Å; M464-I648 HydrophobicContact CE-CB 3.83Å; M464-I648 HydrophobicContact CE-CD1 4.5Å; M464-I648 HydrophobicContact CE-CG2 4.34Å; M464-I648 HydrophobicContact SD-CB 4.04Å; M464-I648 HydrophobicContact SD-CG2 4.01Å
465	I	91.8	Very high	91.2	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-65.2	-44.2	171.8	-69	159	0	0	0	110.7	L378 A461 L462 T471 I473 V485 L488 K615 I617	L378-I465 HydrophobicContact CD1-CG2 4.31Å; A461-I465 VanDerWaalsContact O-CG1 3.31Å; A461-I465 WeakPolarHBondContact O-CG1 3.29Å; A461-I465 PolarHBondContact O-N 2.85Å; L462-I465 HydrophobicContact CD2-CD1 4.29Å; L462-I465 PolarHBondContact O-N 3.4Å; L462-I465 VanDerWaalsContact O-N 3.11Å; I465-T471 HydrophobicContact CG1-CG2 3.97Å; I465-I473 HydrophobicContact CD1-CD1 3.69Å; I465-I473 HydrophobicContact CG1-CD1 4.13Å; I465-V485 HydrophobicContact CD1-CG2 3.86Å; I465-L488 HydrophobicContact CB-CD2 4.15Å; I465-L488 HydrophobicContact CD1-CD2 4.44Å; I465-L488 HydrophobicContact CG2-CD2 3.5Å; I465-L488 VanDerWaalsContact CG2-CD2 3.5Å; I465-K615 HydrophobicContact CG2-CD 4.33Å; I465-K615 PolarHBondContact O-NZ 3.43Å; I465-I617 HydrophobicContact CG1-CD1 4.29Å; I465-I617 HydrophobicContact CG2-CD1 3.56Å; I465-I617 HydrophobicContact CG2-CG1 4.33Å
466	C	88.8	Confident	91.4	Very high	9 Å²	9	26.3 Å²	26.3	6%	0.061	13%	0.132	C	C	.	.	H	α-helix	trans	-65.6	-40.1	-178.8	-68.9	0	0	0	0	111.7	R377 L378 L462 E463	R377-C466 VanDerWaalsContact CA-O 3.3Å; R377-C466 WeakPolarHBondContact CA-O 3.44Å; L378-C466 HydrophobicContact CB-CB 4.14Å; L378-C466 PolarHBondContact N-O 2.83Å; L378-C466 WeakPolarHBondContact O-CB 3.24Å; L462-C466 PolarHBondContact O-N 3.37Å; L462-C466 PolarHBondContact O-SG 3.42Å; L462-C466 VanDerWaalsContact O-SG 3.34Å; E463-C466 PolarHBondContact O-N 3.45Å
467	S	88.4	Confident	91	Very high	62 Å²	62	16.7 Å²	16.7	43%	0.434	10%	0.099	S	C	.	.	H	α-helix	trans	-81.5	-39.1	-174	-57.3	0	0	0	0	114.9	E463	E463-S467 VanDerWaalsContact O-CB 3.26Å; E463-S467 WeakPolarHBondContact O-CB 3.47Å; E463-S467 PolarHBondContact O-N 3.28Å; E463-S467 PolarHBondContact O-OG 2.91Å
468	N	90.9	Very high	90.6	Very high	31 Å²	31	16 Å²	16	17%	0.166	10%	0.099	C	C	.	.			trans	-100.8	153.3	-169.7	-64.3	-35.3	0	0	0	113.3	M464 K615 N645	M464-N468 VanDerWaalsContact CG-ND2 3.31Å; M464-N468 WeakPolarHBondContact CG-ND2 3.41Å; M464-N468 WeakPolarHBondContact O-CB 3.1Å; M464-N468 PolarHBondContact O-N 2.97Å; M464-N468 VanDerWaalsContact O-N 3.13Å; M464-N468 PolarHBondContact O-ND2 2.87Å; N468-K615 PolarHBondContact O-NZ 3.48Å; N468-N645 PolarHBondContact ND2-O 3.47Å
469	P	92.2	Very high	90.3	Very high	13 Å²	13	15.6 Å²	15.6	8%	0.084	10%	0.097	C	C	.	.	S	Bend	trans	-78.8	-23.2	168.5	32	-34.6	0	0	0	113	L370 M371 K615 L616	L370-P469 VanDerWaalsContact O-CB 3.24Å; L370-P469 WeakPolarHBondContact O-CB 3.41Å; L370-P469 WeakPolarHBondContact O-CG 3.49Å; M371-P469 HydrophobicContact CG-CG 4.38Å; P469-K615 CarbonylContact O-C 3.26Å; P469-K615 VanDerWaalsContact O-CA 3.29Å; P469-K615 WeakPolarHBondContact O-CA 3.46Å; P469-L616 PolarHBondContact O-N 2.95Å
470	V	94.8	Very high	90.1	Very high	0 Å²	0	15 Å²	15	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	124.6	176.6	-178.1	0	0	0	0	109.2	I367 L370 M371 L616 L641 C646	I367-V470 HydrophobicContact CG2-CG1 4.38Å; I367-V470 HydrophobicContact CG2-CG2 4.37Å; L370-V470 HydrophobicContact CB-CG2 4.23Å; L370-V470 HydrophobicContact CD2-CG2 3.93Å; M371-V470 HydrophobicContact CG-CB 4.05Å; M371-V470 HydrophobicContact CG-CG2 3.65Å; M371-V470 HydrophobicContact SD-CB 4.42Å; M371-V470 HydrophobicContact SD-CG2 4.48Å; V470-L616 WeakPolarHBondContact CA-O 3.29Å; V470-L616 HydrophobicContact CG1-CD2 4.17Å; V470-L616 HydrophobicContact CG1-CG 4.45Å; V470-L616 HydrophobicContact CG2-CB 4.36Å; V470-L616 HydrophobicContact CG2-CD2 4.46Å; V470-L641 HydrophobicContact CG1-CD1 3.88Å; V470-C646 WeakPolarHBondContact O-CB 3.37Å
471	T	96.1	Very high	90.1	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	130.9	179.2	-65.5	0	0	0	0	111.7	M464 I465 I473 L616 I617 I618 C646	M464-T471 HydrophobicContact CB-CG2 4.24Å; M464-T471 HydrophobicContact CG-CG2 3.72Å; M464-T471 PolarHBondContact O-OG1 3.43Å; M464-T471 HydrophobicContact SD-CG2 3.91Å; I465-T471 HydrophobicContact CG1-CG2 3.97Å; T471-I473 HydrophobicContact CG2-CD1 4.44Å; T471-I473 HydrophobicContact CG2-CG1 4.06Å; T471-L616 PolarHBondContact N-O 3.28Å; T471-I617 WeakPolarHBondContact O-CA 3.41Å; T471-I618 PolarHBondContact O-N 3.4Å; T471-C646 WeakPolarHBondContact CA-O 3.48Å
472	V	97.3	Very high	90	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	119.3	178.1	-174.6	0	0	0	0	111	I618 L634 L637 F638 L641 C646 A647 I648	V472-I618 CarbonylContact C-O 3.56Å; V472-I618 WeakPolarHBondContact CA-O 3.45Å; V472-I618 HydrophobicContact CG1-CB 4.41Å; V472-I618 HydrophobicContact CG2-CB 4.34Å; V472-I618 HydrophobicContact CG2-CD1 4.49Å; V472-L634 HydrophobicContact CG1-CD1 3.69Å; V472-L637 HydrophobicContact CG2-CB 4.39Å; V472-F638 HydrophobicContact CG1-CB 4.29Å; V472-F638 HydrophobicContact CG1-CD2 4.23Å; V472-L641 HydrophobicContact CG2-CD1 3.75Å; V472-C646 PolarHBondContact N-O 3.25Å; V472-A647 HydrophobicContact CB-CB 3.9Å; V472-A647 CarbonylContact O-C 3.57Å; V472-A647 WeakPolarHBondContact O-CA 3.14Å; V472-A647 WeakPolarHBondContact O-CB 3.25Å; V472-I648 PolarHBondContact O-N 3.39Å
473	I	96.8	Very high	89.8	Confident	0 Å²	0	19 Å²	19	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	109	-178.3	-54.9	177.3	0	0	0	109.5	A461 I465 T471 K481 I484 I618 L619 G620 I648 L650	A461-I473 HydrophobicContact CB-CD1 4.05Å; I465-I473 HydrophobicContact CD1-CD1 3.69Å; I465-I473 HydrophobicContact CG1-CD1 4.13Å; T471-I473 HydrophobicContact CG2-CD1 4.44Å; T471-I473 HydrophobicContact CG2-CG1 4.06Å; I473-K481 HydrophobicContact CG2-CD 4.39Å; I473-K481 HydrophobicContact CG2-CG 4.17Å; I473-I484 HydrophobicContact CD1-CD1 4.32Å; I473-I618 PolarHBondContact N-O 3.28Å; I473-L619 HydrophobicContact CB-CD2 3.75Å; I473-L619 HydrophobicContact CD1-CD2 3.89Å; I473-L619 HydrophobicContact CG1-CD2 4.1Å; I473-L619 WeakPolarHBondContact O-CA 3.43Å; I473-G620 PolarHBondContact O-N 3.4Å; I473-I648 HydrophobicContact CG1-CG2 4Å; I473-I648 HydrophobicContact CG2-CG2 4.39Å; I473-L650 HydrophobicContact CG2-CD1 3.77Å; I473-L650 HydrophobicContact CG2-CD2 4.41Å; I473-L650 HydrophobicContact CG2-CG 3.76Å
474	S	95.6	Very high	89.8	Confident	0 Å²	0	14.3 Å²	14.3	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	150.4	168.8	-174	0	0	0	0	110.2	G620 I622 I648 E649 L650	S474-G620 CarbonylContact C-O 3.56Å; S474-G620 WeakPolarHBondContact CA-O 3.38Å; S474-I622 PolarHBondContact OG-N 3.41Å; S474-I648 PolarHBondContact N-O 2.7Å; S474-E649 CarbonylContact O-C 3.22Å; S474-E649 VanDerWaalsContact O-CA 3.29Å; S474-E649 WeakPolarHBondContact O-CA 3.3Å; S474-L650 PolarHBondContact O-N 3.04Å
475	G	90.4	Very high	89.7	Confident	0 Å²	0	14.1 Å²	14.1	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	173.4	159.9	173.9	0	0	0	0	0	110.6	K481 G620 D621 L650	G475-K481 PolarHBondContact O-NZ 3.29Å; G475-G620 PolarHBondContact N-O 3.42Å; G475-G620 VanDerWaalsContact O-O 3.07Å; G475-D621 VanDerWaalsContact O-CB 3.31Å; G475-D621 WeakPolarHBondContact O-CB 3.38Å; G475-L650 WeakPolarHBondContact CA-O 3.37Å
476	K	85.8	Confident	89.5	Confident	18 Å²	18	14.7 Å²	14.7	8%	0.078	10%	0.097	C	C	.	.			trans	-72.1	-177.9	-177.4	-42.3	-159.1	-161.1	83.3	0	111.7	C479 K481 V662 T666 Y913	K476-C479 PolarHBondContact N-SG 2.91Å; K476-K481 PolarHBondContact O-NZ 3.27Å; K476-V662 HydrophobicContact CD-CG1 4.27Å; K476-T666 WeakPolarHBondContact CE-OG1 3.29Å; K476-T666 PolarHBondContact NZ-OG1 3.44Å; K476-Y913 WeakPolarHBondContact CD-OH 3.44Å; K476-Y913 WeakPolarHBondContact CG-OH 3.46Å
477	G	79.4	Confident	89.3	Confident	12 Å²	12	17.2 Å²	17.2	12%	0.124	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	141.2	160.2	0	0	0	0	0	110.1	C479	G477-C479 VanDerWaalsContact C-N 3.33Å; G477-C479 PolarHBondContact O-N 3.49Å
478	G	78.2	Confident	89.3	Confident	14 Å²	14	14.2 Å²	14.2	14%	0.144	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.1	-11.4	179.4	0	0	0	0	0	117.1	G480 N653 H654	G478-G480 PolarHBondContact O-N 2.93Å; G478-N653 WeakPolarHBondContact CA-OD1 3.42Å; G478-N653 PolarHBondContact O-OD1 2.86Å; G478-H654 PolarHBondContact O-N 3.2Å
479	C	85.1	Confident	89.1	Confident	0 Å²	0	13.1 Å²	13.1	0%	0	8%	0.078	C	C	.	.	S	Bend	trans	-75.8	25.8	178.4	-54	0	0	0	0	115	K476 G477 K481 L650 T652	K476-C479 PolarHBondContact N-SG 2.91Å; G477-C479 VanDerWaalsContact C-N 3.33Å; G477-C479 PolarHBondContact O-N 3.49Å; C479-K481 PolarHBondContact O-N 2.87Å; C479-L650 HydrophobicContact CB-CB 3.92Å; C479-L650 WeakPolarHBondContact O-CD1 3.4Å; C479-T652 WeakPolarHBondContact CA-O 3.39Å; C479-T652 WeakPolarHBondContact CB-O 3.4Å; C479-T652 PolarHBondContact SG-O 3.04Å
480	G	85.1	Confident	88.7	Confident	16 Å²	16	16.4 Å²	16.4	17%	0.165	9%	0.091	C	C	.	.			trans	66.5	-6.7	172.5	0	0	0	0	0	119.3	G478 T482 T483 I484	G478-G480 PolarHBondContact O-N 2.93Å; G480-T482 PolarHBondContact O-N 3.28Å; G480-T483 WeakPolarHBondContact O-CA 3.5Å; G480-T483 VanDerWaalsContact O-CB 3.23Å; G480-T483 WeakPolarHBondContact O-CB 3.29Å; G480-T483 PolarHBondContact O-N 2.91Å; G480-I484 PolarHBondContact O-N 3.35Å
481	K	90.9	Very high	88.2	Confident	23 Å²	23	17.6 Å²	17.6	10%	0.1	10%	0.097	C	C	.	.	H	α-helix	trans	-35.5	-62.1	-173.9	-64.8	-167.1	-58.4	-80.2	0	115.7	I473 G475 K476 C479 T483 I484 G620 L650	I473-K481 HydrophobicContact CG2-CD 4.39Å; I473-K481 HydrophobicContact CG2-CG 4.17Å; G475-K481 PolarHBondContact O-NZ 3.29Å; K476-K481 PolarHBondContact O-NZ 3.27Å; C479-K481 PolarHBondContact O-N 2.87Å; K481-T483 VanDerWaalsContact C-N 3.31Å; K481-T483 PolarHBondContact O-N 3.17Å; K481-I484 WeakPolarHBondContact O-CG1 3.19Å; K481-G620 VanDerWaalsContact CD-O 3.24Å; K481-G620 WeakPolarHBondContact CD-O 3.49Å; K481-G620 WeakPolarHBondContact CE-O 3.13Å; K481-G620 PolarHBondContact NZ-O 3.31Å; K481-L650 HydrophobicContact CG-CD1 3.89Å
482	T	88.7	Confident	87.7	Confident	29 Å²	29	18.2 Å²	18.2	18%	0.178	10%	0.1	C	C	.	.	H	α-helix	trans	-67.3	-34.6	-177.6	-38.3	0	0	0	0	111.7	G480 S486 L547 T551 D590	G480-T482 PolarHBondContact O-N 3.28Å; T482-S486 VanDerWaalsContact O-CB 3.32Å; T482-S486 WeakPolarHBondContact O-CB 3.33Å; T482-S486 PolarHBondContact O-N 3.37Å; T482-L547 HydrophobicContact CG2-CD1 3.28Å; T482-T551 HydrophobicContact CG2-CG2 4.3Å; T482-D590 WeakPolarHBondContact CB-OD2 3.35Å; T482-D590 VanDerWaalsContact CG2-OD2 3.29Å; T482-D590 WeakPolarHBondContact CG2-OD2 3.38Å; T482-D590 PolarHBondContact OG1-OD2 3.04Å
483	T	88	Confident	86.9	Confident	67 Å²	67	20.5 Å²	20.5	41%	0.411	11%	0.111	S	C	.	.	H	α-helix	trans	-67.3	-44.5	-179.3	-50.7	0	0	0	0	112.1	G480 K481 S486 R487	G480-T483 WeakPolarHBondContact O-CA 3.5Å; G480-T483 VanDerWaalsContact O-CB 3.23Å; G480-T483 WeakPolarHBondContact O-CB 3.29Å; G480-T483 PolarHBondContact O-N 2.91Å; K481-T483 VanDerWaalsContact C-N 3.31Å; K481-T483 PolarHBondContact O-N 3.17Å; T483-S486 PolarHBondContact O-N 3.38Å; T483-R487 HydrophobicContact CG2-CG 4.44Å; T483-R487 VanDerWaalsContact CG2-NH1 3.26Å; T483-R487 WeakPolarHBondContact O-CB 3.24Å; T483-R487 WeakPolarHBondContact O-CG 3.21Å; T483-R487 PolarHBondContact O-N 2.97Å
484	I	90.4	Very high	86.2	Confident	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-65.4	-42	179.3	59.1	169	0	0	0	111.6	L386 I389 Q458 A461 L462 I473 G480 K481 L488 L650	L386-I484 HydrophobicContact CD2-CG2 4.38Å; I389-I484 HydrophobicContact CD1-CG2 3.93Å; Q458-I484 HydrophobicContact CB-CG2 4.17Å; Q458-I484 HydrophobicContact CG-CG2 3.91Å; A461-I484 HydrophobicContact CB-CD1 3.92Å; L462-I484 HydrophobicContact CD2-CB 4.16Å; L462-I484 HydrophobicContact CG-CB 4.35Å; I473-I484 HydrophobicContact CD1-CD1 4.32Å; G480-I484 PolarHBondContact O-N 3.35Å; K481-I484 WeakPolarHBondContact O-CG1 3.19Å; I484-L488 WeakPolarHBondContact O-CB 3.21Å; I484-L488 PolarHBondContact O-N 3.33Å; I484-L650 HydrophobicContact CD1-CD1 4.06Å
485	V	89.3	Confident	85.4	Confident	3 Å²	3	27.8 Å²	27.8	2%	0.018	15%	0.146	C	C	.	.	H	α-helix	trans	-67	-41.9	177.5	178.7	0	0	0	0	111.4	I465 L488 F489 V588 I617 L619	I465-V485 HydrophobicContact CD1-CG2 3.86Å; V485-L488 PolarHBondContact O-N 3.26Å; V485-F489 HydrophobicContact CG1-CD2 3.81Å; V485-F489 HydrophobicContact CG1-CE2 3.74Å; V485-F489 VanDerWaalsContact O-CD2 3.3Å; V485-F489 WeakPolarHBondContact O-CD2 3.22Å; V485-F489 PolarHBondContact O-N 3.35Å; V485-F489 VanDerWaalsContact O-N 3.14Å; V485-V588 HydrophobicContact CG1-CG1 4.1Å; V485-V588 HydrophobicContact CG1-CG2 4.09Å; V485-I617 HydrophobicContact CG1-CD1 4.46Å; V485-I617 HydrophobicContact CG2-CG2 4.27Å; V485-L619 HydrophobicContact CB-CD1 4.4Å; V485-L619 HydrophobicContact CG2-CD1 3.97Å; V485-L619 HydrophobicContact CG2-CD2 3.92Å
486	S	86.9	Confident	84.8	Confident	12 Å²	12	30.1 Å²	30.1	8%	0.084	16%	0.157	C	C	.	.	H	α-helix	trans	-68.1	-40	178.2	-172.5	0	0	0	0	113.1	T482 T483 K490 T551	T482-S486 VanDerWaalsContact O-CB 3.32Å; T482-S486 WeakPolarHBondContact O-CB 3.33Å; T482-S486 PolarHBondContact O-N 3.37Å; T483-S486 PolarHBondContact O-N 3.38Å; S486-K490 WeakPolarHBondContact O-CB 3.3Å; S486-K490 WeakPolarHBondContact O-CG 3.38Å; S486-K490 PolarHBondContact O-N 2.83Å; S486-T551 WeakPolarHBondContact OG-CA 3.38Å; S486-T551 VanDerWaalsContact OG-CB 3.31Å; S486-T551 WeakPolarHBondContact OG-CB 2.9Å; S486-T551 WeakPolarHBondContact OG-CG2 3.15Å
487	R	85.2	Confident	84.4	Confident	61 Å²	61	34.5 Å²	34.5	23%	0.23	18%	0.178	C	C	.	.	H	α-helix	trans	-68	-37.6	176.2	-74.6	-114.3	-178.5	61.2	-17.9	111.2	V385 S388 I389 T392 T483 H491	V385-R487 HydrophobicContact CG1-CB 4.4Å; S388-R487 PolarHBondContact O-NE 3.16Å; S388-R487 WeakPolarHBondContact OG-CD 3.41Å; I389-R487 HydrophobicContact CG1-CB 4.36Å; I389-R487 HydrophobicContact CG1-CG 4.08Å; I389-R487 PolarHBondContact O-NH2 3.37Å; T392-R487 PolarHBondContact OG1-NH2 2.72Å; T483-R487 HydrophobicContact CG2-CG 4.44Å; T483-R487 VanDerWaalsContact CG2-NH1 3.26Å; T483-R487 WeakPolarHBondContact O-CB 3.24Å; T483-R487 WeakPolarHBondContact O-CG 3.21Å; T483-R487 PolarHBondContact O-N 2.97Å; R487-H491 VanDerWaalsContact O-CB 3.28Å; R487-H491 WeakPolarHBondContact O-CB 3.36Å; R487-H491 PolarHBondContact O-N 3.13Å
488	L	88.5	Confident	84.5	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-58.1	-53.8	173.6	178.1	63.5	0	0	0	111.9	L378 V380 V385 L462 I465 I484 V485 H491 I492	L378-L488 HydrophobicContact CD1-CD2 4.37Å; V380-L488 HydrophobicContact CB-CD1 4.29Å; V380-L488 HydrophobicContact CG1-CD1 3.98Å; V380-L488 HydrophobicContact CG2-CD1 4.37Å; V385-L488 HydrophobicContact CG1-CB 4.34Å; V385-L488 HydrophobicContact CG2-CD1 4.13Å; L462-L488 HydrophobicContact CD2-CB 3.84Å; L462-L488 HydrophobicContact CD2-CD1 4.43Å; L462-L488 HydrophobicContact CD2-CD2 3.91Å; L462-L488 HydrophobicContact CD2-CG 4.27Å; I465-L488 HydrophobicContact CB-CD2 4.15Å; I465-L488 HydrophobicContact CD1-CD2 4.44Å; I465-L488 HydrophobicContact CG2-CD2 3.5Å; I465-L488 VanDerWaalsContact CG2-CD2 3.5Å; I484-L488 WeakPolarHBondContact O-CB 3.21Å; I484-L488 PolarHBondContact O-N 3.33Å; V485-L488 PolarHBondContact O-N 3.26Å; L488-H491 PolarHBondContact O-N 3.03Å; L488-I492 HydrophobicContact CD1-CD1 4Å; L488-I492 HydrophobicContact CG-CD1 3.94Å; L488-I492 WeakPolarHBondContact O-CG1 3.27Å; L488-I492 PolarHBondContact O-N 3.15Å
489	F	86.5	Confident	84.5	Confident	7 Å²	7	45.6 Å²	45.6	3%	0.031	22%	0.218	C	C	.	.	H	α-helix	trans	-70.6	-34.1	-176.9	-72.2	-60.6	0	0	0	113.5	L378 V485 H491 I492 E493 V534 V586 V588 I617	L378-F489 HydrophobicContact CD1-CE1 4.13Å; L378-F489 HydrophobicContact CD1-CZ 4.44Å; V485-F489 HydrophobicContact CG1-CD2 3.81Å; V485-F489 HydrophobicContact CG1-CE2 3.74Å; V485-F489 VanDerWaalsContact O-CD2 3.3Å; V485-F489 WeakPolarHBondContact O-CD2 3.22Å; V485-F489 PolarHBondContact O-N 3.35Å; V485-F489 VanDerWaalsContact O-N 3.14Å; F489-H491 VanDerWaalsContact C-N 3.33Å; F489-H491 PolarHBondContact O-N 3.12Å; F489-I492 HydrophobicContact CD1-CD1 3.83Å; F489-I492 HydrophobicContact CE1-CD1 4.07Å; F489-I492 PolarHBondContact O-N 3.42Å; F489-E493 VanDerWaalsContact O-CB 3.3Å; F489-E493 WeakPolarHBondContact O-CB 3.27Å; F489-E493 PolarHBondContact O-N 3.03Å; F489-V534 HydrophobicContact CB-CG2 4.26Å; F489-V534 HydrophobicContact CD1-CG2 3.66Å; F489-V534 HydrophobicContact CD2-CG1 4.05Å; F489-V534 HydrophobicContact CD2-CG2 4.39Å; F489-V534 HydrophobicContact CE1-CG2 4.13Å; F489-V534 HydrophobicContact CE2-CG1 4.33Å; F489-V534 HydrophobicContact CG-CG1 4.28Å; F489-V534 HydrophobicContact CG-CG2 3.84Å; F489-V586 HydrophobicContact CE1-CG1 4.41Å; F489-V586 HydrophobicContact CE1-CG2 4.06Å; F489-V586 HydrophobicContact CE2-CG1 4.11Å; F489-V586 HydrophobicContact CZ-CB 4.41Å; F489-V586 HydrophobicContact CZ-CG1 3.7Å; F489-V586 HydrophobicContact CZ-CG2 4.14Å; F489-V588 HydrophobicContact CE2-CG2 4.25Å; F489-I617 HydrophobicContact CE2-CD1 3.7Å; F489-I617 HydrophobicContact CZ-CD1 3.79Å
490	K	84.9	Confident	83.9	Confident	82 Å²	82	49.9 Å²	49.9	36%	0.357	24%	0.243	S	C	.	.	H	α-helix	trans	-62.3	-38.4	169	-78	-171.5	173.9	-175.6	0	113	S486 I492 E493 Q494 T551	S486-K490 WeakPolarHBondContact O-CB 3.3Å; S486-K490 WeakPolarHBondContact O-CG 3.38Å; S486-K490 PolarHBondContact O-N 2.83Å; K490-I492 VanDerWaalsContact C-N 3.35Å; K490-E493 PolarHBondContact O-N 2.97Å; K490-Q494 WeakPolarHBondContact O-CB 3.3Å; K490-Q494 WeakPolarHBondContact O-CG 3.27Å; K490-Q494 PolarHBondContact O-N 3.24Å; K490-T551 WeakPolarHBondContact CE-O 3.28Å; K490-T551 PolarHBondContact NZ-O 2.94Å
491	H	84.1	Confident	83.5	Confident	26 Å²	26	54.6 Å²	54.6	12%	0.12	26%	0.259	C	S	.	.	H	α-helix	trans	-69.2	-35.7	178.1	-171.1	72.6	0	0	0	111.8	V385 R487 L488 F489 L495	V385-H491 HydrophobicContact CG2-CB 4.02Å; R487-H491 VanDerWaalsContact O-CB 3.28Å; R487-H491 WeakPolarHBondContact O-CB 3.36Å; R487-H491 PolarHBondContact O-N 3.13Å; L488-H491 PolarHBondContact O-N 3.03Å; F489-H491 VanDerWaalsContact C-N 3.33Å; F489-H491 PolarHBondContact O-N 3.12Å; H491-L495 VanDerWaalsContact O-CG 3.25Å; H491-L495 WeakPolarHBondContact O-CG 3.25Å; H491-L495 PolarHBondContact O-N 2.89Å
492	I	83.8	Confident	82.8	Confident	13 Å²	13	57.6 Å²	57.6	7%	0.067	28%	0.277	C	S	.	.	H	α-helix	trans	-65.7	-47.3	173	-67.3	161.7	0	0	0	110.7	L378 V380 L488 F489 K490 Q494 L495 E496 I532	L378-I492 HydrophobicContact CD1-CD1 3.98Å; L378-I492 HydrophobicContact CD2-CD1 4.15Å; L378-I492 HydrophobicContact CG-CD1 4.43Å; V380-I492 HydrophobicContact CG2-CD1 3.99Å; V380-I492 HydrophobicContact CG2-CG1 3.6Å; L488-I492 HydrophobicContact CD1-CD1 4Å; L488-I492 HydrophobicContact CG-CD1 3.94Å; L488-I492 WeakPolarHBondContact O-CG1 3.27Å; L488-I492 PolarHBondContact O-N 3.15Å; F489-I492 HydrophobicContact CD1-CD1 3.83Å; F489-I492 HydrophobicContact CE1-CD1 4.07Å; F489-I492 PolarHBondContact O-N 3.42Å; K490-I492 VanDerWaalsContact C-N 3.35Å; I492-Q494 VanDerWaalsContact C-N 3.34Å; I492-Q494 PolarHBondContact O-N 3.05Å; I492-L495 WeakPolarHBondContact O-CA 3.43Å; I492-L495 WeakPolarHBondContact O-CB 3.26Å; I492-L495 PolarHBondContact O-N 3.45Å; I492-E496 PolarHBondContact O-N 2.8Å; I492-I532 HydrophobicContact CG2-CD1 3.59Å
493	E	81.8	Confident	82.1	Confident	47 Å²	47	59 Å²	59	22%	0.22	29%	0.291	C	S	.	.	H	α-helix	trans	-55.5	-47.4	175.1	-176.4	167.7	-128	0	0	111.3	F489 K490 L495 E496 E497 K530	F489-E493 VanDerWaalsContact O-CB 3.3Å; F489-E493 WeakPolarHBondContact O-CB 3.27Å; F489-E493 PolarHBondContact O-N 3.03Å; K490-E493 PolarHBondContact O-N 2.97Å; E493-L495 PolarHBondContact O-N 3.5Å; E493-E496 PolarHBondContact O-N 3.04Å; E493-E497 WeakPolarHBondContact O-CB 3.35Å; E493-E497 VanDerWaalsContact O-CG 3.31Å; E493-E497 WeakPolarHBondContact O-CG 3.45Å; E493-E497 PolarHBondContact O-N 2.76Å; E493-K530 IonicContact OE1-NZ 3.4Å; E493-K530 PolarHBondContact OE1-NZ 3.27Å
494	Q	81.1	Confident	81.2	Confident	99 Å²	99	57.5 Å²	57.5	46%	0.463	28%	0.283	S	S	.	.	H	α-helix	trans	-69	-11.3	173.4	-71.9	176.2	-15	0	0	115.1	K490 I492 R498	K490-Q494 WeakPolarHBondContact O-CB 3.3Å; K490-Q494 WeakPolarHBondContact O-CG 3.27Å; K490-Q494 PolarHBondContact O-N 3.24Å; I492-Q494 VanDerWaalsContact C-N 3.34Å; I492-Q494 PolarHBondContact O-N 3.05Å; Q494-R498 PolarHBondContact O-NE 2.83Å; Q494-R498 PolarHBondContact O-NH2 2.88Å
495	L	79.8	Confident	80.4	Confident	54 Å²	54	61.1 Å²	61.1	28%	0.283	30%	0.3	S	S	.	.	H	α-helix	trans	-90.1	-45.6	171.2	-76	168.2	0	0	0	109.6	H491 I492 E493 E497 R498 E499	H491-L495 VanDerWaalsContact O-CG 3.25Å; H491-L495 WeakPolarHBondContact O-CG 3.25Å; H491-L495 PolarHBondContact O-N 2.89Å; I492-L495 WeakPolarHBondContact O-CA 3.43Å; I492-L495 WeakPolarHBondContact O-CB 3.26Å; I492-L495 PolarHBondContact O-N 3.45Å; E493-L495 PolarHBondContact O-N 3.5Å; L495-E497 VanDerWaalsContact C-N 3.33Å; L495-E497 PolarHBondContact O-N 3.14Å; L495-R498 PolarHBondContact O-N 3.11Å; L495-R498 VanDerWaalsContact O-N 3.08Å; L495-E499 WeakPolarHBondContact O-CG 3.49Å; L495-E499 PolarHBondContact O-N 3.15Å
496	E	77.8	Confident	79.8	Confident	49 Å²	49	66.6 Å²	66.6	23%	0.229	33%	0.329	C	S	.	.	H	α-helix	trans	-56.2	-45.5	173	-67.4	-174.1	172.2	0	0	111.2	I492 E493 R498 E499 V500 I532	I492-E496 PolarHBondContact O-N 2.8Å; E493-E496 PolarHBondContact O-N 3.04Å; E496-R498 VanDerWaalsContact C-N 3.3Å; E496-R498 PolarHBondContact O-N 3.44Å; E496-E499 PolarHBondContact O-N 2.84Å; E496-V500 WeakPolarHBondContact O-CB 3.29Å; E496-V500 VanDerWaalsContact O-CG2 3.32Å; E496-V500 WeakPolarHBondContact O-CG2 3.49Å; E496-V500 PolarHBondContact O-N 3.38Å; E496-I532 WeakPolarHBondContact OE1-CD1 3.47Å; E496-I532 VanDerWaalsContact OE1-CG1 3.26Å; E496-I532 WeakPolarHBondContact OE1-CG1 3.3Å
497	E	78.1	Confident	78.8	Confident	111 Å²	111	71.6 Å²	71.6	52%	0.519	35%	0.35	S	S	.	.	H	α-helix	trans	-59.7	-36	175.7	-73.8	169.1	175.7	0	0	113.1	E493 L495 K501	E493-E497 WeakPolarHBondContact O-CB 3.35Å; E493-E497 VanDerWaalsContact O-CG 3.31Å; E493-E497 WeakPolarHBondContact O-CG 3.45Å; E493-E497 PolarHBondContact O-N 2.76Å; L495-E497 VanDerWaalsContact C-N 3.33Å; L495-E497 PolarHBondContact O-N 3.14Å; E497-K501 VanDerWaalsContact O-CB 3.31Å; E497-K501 WeakPolarHBondContact O-CB 3.34Å; E497-K501 PolarHBondContact O-N 3.38Å; E497-K501 VanDerWaalsContact O-N 3.07Å
498	R	79.7	Confident	77.8	Confident	125 Å²	125	75.1 Å²	75.1	47%	0.472	37%	0.368	S	S	.	.	H	α-helix	trans	-79.2	-39.1	177.6	-90	178.8	-72.8	-173.5	-5.7	112.7	Q494 L495 E496 V500 K501 N502	Q494-R498 PolarHBondContact O-NE 2.83Å; Q494-R498 PolarHBondContact O-NH2 2.88Å; L495-R498 PolarHBondContact O-N 3.11Å; L495-R498 VanDerWaalsContact O-N 3.08Å; E496-R498 VanDerWaalsContact C-N 3.3Å; E496-R498 PolarHBondContact O-N 3.44Å; R498-V500 VanDerWaalsContact C-N 3.32Å; R498-K501 PolarHBondContact O-N 3.33Å; R498-N502 WeakPolarHBondContact O-CB 3.49Å; R498-N502 PolarHBondContact O-N 3.1Å; R498-N502 PolarHBondContact O-OD1 2.98Å
499	E	78.3	Confident	76.5	Confident	134 Å²	134	82 Å²	82	63%	0.626	40%	0.401	S	S	*	.	H	α-helix	trans	-63.8	-39.7	175.3	-73	176.4	-172	0	0	110.9	L495 E496 A503	L495-E499 WeakPolarHBondContact O-CG 3.49Å; L495-E499 PolarHBondContact O-N 3.15Å; E496-E499 PolarHBondContact O-N 2.84Å; E499-A503 VanDerWaalsContact O-CB 3.26Å; E499-A503 WeakPolarHBondContact O-CB 3.34Å; E499-A503 PolarHBondContact O-N 2.96Å
500	V	74.1	Confident	75.6	Confident	89 Å²	89	85.7 Å²	85.7	54%	0.539	42%	0.421	S	S	.	.	H	α-helix	trans	-65	-47.4	172.3	171.5	0	0	0	0	111.5	E496 R498 N502 A503 C504	E496-V500 WeakPolarHBondContact O-CB 3.29Å; E496-V500 VanDerWaalsContact O-CG2 3.32Å; E496-V500 WeakPolarHBondContact O-CG2 3.49Å; E496-V500 PolarHBondContact O-N 3.38Å; R498-V500 VanDerWaalsContact C-N 3.32Å; V500-N502 PolarHBondContact O-N 2.96Å; V500-A503 PolarHBondContact O-N 3.04Å; V500-C504 PolarHBondContact O-N 3.44Å; V500-C504 PolarHBondContact O-SG 3.46Å
501	K	74.8	Confident	74	Confident	115 Å²	115	91 Å²	91	50%	0.5	45%	0.447	S	S	.	.	H	α-helix	trans	-61.6	-45.5	179.5	-174.4	172.2	-178.5	-67.3	0	112.2	E497 R498 A503 C504 E505	E497-K501 VanDerWaalsContact O-CB 3.31Å; E497-K501 WeakPolarHBondContact O-CB 3.34Å; E497-K501 PolarHBondContact O-N 3.38Å; E497-K501 VanDerWaalsContact O-N 3.07Å; R498-K501 PolarHBondContact O-N 3.33Å; K501-A503 VanDerWaalsContact C-N 3.33Å; K501-A503 PolarHBondContact O-N 3Å; K501-C504 WeakPolarHBondContact O-CB 3.36Å; K501-C504 PolarHBondContact O-N 2.73Å; K501-E505 IonicContact NZ-OE1 3.61Å; K501-E505 PolarHBondContact NZ-OE1 3.49Å; K501-E505 IonicContact NZ-OE2 3.33Å; K501-E505 WeakPolarHBondContact O-CG 3.36Å; K501-E505 PolarHBondContact O-N 3.41Å
502	N	77.9	Confident	72.6	Confident	87 Å²	87	96.4 Å²	96.4	47%	0.465	48%	0.477	S	S	.	.	H	α-helix	trans	-61.7	-41	175.2	-70.2	20.8	0	0	0	111.3	R498 V500 C504 E505 D506	R498-N502 WeakPolarHBondContact O-CB 3.49Å; R498-N502 PolarHBondContact O-N 3.1Å; R498-N502 PolarHBondContact O-OD1 2.98Å; V500-N502 PolarHBondContact O-N 2.96Å; N502-C504 VanDerWaalsContact C-N 3.3Å; N502-C504 PolarHBondContact O-N 2.68Å; N502-E505 PolarHBondContact O-N 3.27Å; N502-D506 WeakPolarHBondContact O-CB 3.35Å; N502-D506 PolarHBondContact O-N 3.38Å
503	A	72.5	Confident	70.8	Confident	59 Å²	59	98.5 Å²	98.5	49%	0.488	50%	0.496	S	S	.	.	H	α-helix	trans	-66.4	-29.1	177.6	0	0	0	0	0	113.3	E499 V500 K501 F507	E499-A503 VanDerWaalsContact O-CB 3.26Å; E499-A503 WeakPolarHBondContact O-CB 3.34Å; E499-A503 PolarHBondContact O-N 2.96Å; V500-A503 PolarHBondContact O-N 3.04Å; K501-A503 VanDerWaalsContact C-N 3.33Å; K501-A503 PolarHBondContact O-N 3Å; A503-F507 WeakPolarHBondContact O-CB 3.4Å; A503-F507 PolarHBondContact O-N 2.93Å
504	C	69.1	Low	69.3	Low	34 Å²	34	99.3 Å²	99.3	23%	0.23	51%	0.506	C	S	.	.	H	α-helix	trans	-69.2	-49.5	167.5	-66.3	0	0	0	0	111.1	V500 K501 N502 D506 F507 E508	V500-C504 PolarHBondContact O-N 3.44Å; V500-C504 PolarHBondContact O-SG 3.46Å; K501-C504 WeakPolarHBondContact O-CB 3.36Å; K501-C504 PolarHBondContact O-N 2.73Å; N502-C504 VanDerWaalsContact C-N 3.3Å; N502-C504 PolarHBondContact O-N 2.68Å; C504-D506 PolarHBondContact O-N 2.94Å; C504-F507 PolarHBondContact O-N 3.21Å; C504-F507 VanDerWaalsContact O-N 3.09Å; C504-E508 WeakPolarHBondContact O-CG 3.31Å; C504-E508 PolarHBondContact O-N 2.94Å
505	E	74.9	Confident	67.9	Low	76 Å²	76	103 Å²	103	36%	0.355	52%	0.524	S	S	.	.	H	α-helix	trans	-63.4	-37.9	-178.1	-71.9	176.5	164	0	0	113.2	K501 N502 F507 Q509	K501-E505 IonicContact NZ-OE1 3.61Å; K501-E505 PolarHBondContact NZ-OE1 3.49Å; K501-E505 IonicContact NZ-OE2 3.33Å; K501-E505 WeakPolarHBondContact O-CG 3.36Å; K501-E505 PolarHBondContact O-N 3.41Å; N502-E505 PolarHBondContact O-N 3.27Å; E505-F507 VanDerWaalsContact C-N 3.3Å; E505-F507 PolarHBondContact O-N 3.05Å; E505-Q509 WeakPolarHBondContact O-CG 3.23Å; E505-Q509 PolarHBondContact O-N 2.9Å; E505-Q509 PolarHBondContact O-NE2 2.9Å
506	D	75	Confident	66.3	Low	119 Å²	119	108.2 Å²	108.2	64%	0.636	55%	0.547	S	S	*	.	H	α-helix	trans	-66.7	-31.7	174.2	-75.5	-19.3	0	0	0	111.7	N502 C504	N502-D506 WeakPolarHBondContact O-CB 3.35Å; N502-D506 PolarHBondContact O-N 3.38Å; C504-D506 PolarHBondContact O-N 2.94Å
507	F	65.9	Low	64.8	Low	117 Å²	117	113.3 Å²	113.3	51%	0.513	56%	0.564	S	S	.	*	H	α-helix	trans	-82.7	-35.9	179.8	-166.6	-94.7	0	0	0	112.5	A503 C504 E505 Q509 D510 A513	A503-F507 WeakPolarHBondContact O-CB 3.4Å; A503-F507 PolarHBondContact O-N 2.93Å; C504-F507 PolarHBondContact O-N 3.21Å; C504-F507 VanDerWaalsContact O-N 3.09Å; E505-F507 VanDerWaalsContact C-N 3.3Å; E505-F507 PolarHBondContact O-N 3.05Å; F507-Q509 PolarHBondContact O-N 3.35Å; F507-D510 PolarHBondContact O-N 3.36Å; F507-A513 HydrophobicContact CE1-CB 4.5Å
508	E	65.3	Low	63.2	Low	134 Å²	134	113.4 Å²	113.4	63%	0.626	57%	0.567	S	S	*	*	H	α-helix	trans	-64.4	-18	171.5	-73.9	171.8	-160.8	0	0	112.7	C504	C504-E508 WeakPolarHBondContact O-CG 3.31Å; C504-E508 PolarHBondContact O-N 2.94Å
509	Q	61.9	Low	61.4	Low	145 Å²	145	111.6 Å²	111.6	68%	0.678	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.2	-7.2	175.2	-74.5	172	81.8	0	0	114.4	E505 F507	E505-Q509 WeakPolarHBondContact O-CG 3.23Å; E505-Q509 PolarHBondContact O-N 2.9Å; E505-Q509 PolarHBondContact O-NE2 2.9Å; F507-Q509 PolarHBondContact O-N 3.35Å
510	D	67.9	Low	59.5	Low	84 Å²	84	111.1 Å²	111.1	45%	0.449	57%	0.566	S	S	.	*	S	Bend	trans	-81.5	120.5	173.1	-169.4	-18.2	0	0	0	110.8	F507 N512 A513	F507-D510 PolarHBondContact O-N 3.36Å; D510-N512 PolarHBondContact O-N 3.34Å; D510-N512 PolarHBondContact OD1-N 3.1Å; D510-N512 PolarHBondContact OD1-ND2 2.84Å; D510-A513 PolarHBondContact O-N 3.02Å
511	Q	50.1	Low	57.9	Low	194 Å²	194	108.8 Å²	108.8	91%	0.907	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.2	10	-175.4	-64.4	-172	-16.6	0	0	115.1
512	N	54	Low	56.3	Low	140 Å²	140	109.9 Å²	109.9	75%	0.749	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.2	6.5	178.8	-57.8	-85.9	0	0	0	113.9	D510	D510-N512 PolarHBondContact O-N 3.34Å; D510-N512 PolarHBondContact OD1-N 3.1Å; D510-N512 PolarHBondContact OD1-ND2 2.84Å
513	A	46.9	Very low	54.3	Low	56 Å²	56	112.8 Å²	112.8	46%	0.463	57%	0.57	S	S	.	*			trans	-64	136.2	176.4	0	0	0	0	0	112.2	F507 D510	F507-A513 HydrophobicContact CE1-CB 4.5Å; D510-A513 PolarHBondContact O-N 3.02Å
514	S	50.4	Low	52.7	Low	64 Å²	64	112.4 Å²	112.4	45%	0.448	56%	0.563	S	S	.	*			trans	-83.8	136.3	178.5	-178.5	0	0	0	0	111.7	E516 W517	S514-E516 PolarHBondContact O-N 2.91Å; S514-E516 VanDerWaalsContact O-N 3.1Å; S514-E516 PolarHBondContact OG-N 3.31Å; S514-W517 PolarHBondContact O-N 3.33Å
515	E	51.9	Low	51.2	Low	176 Å²	176	117 Å²	117	82%	0.822	58%	0.581	S	S	*	*	G	3₁₀ helix	trans	-57.1	-25	176.1	-62	-177.3	152.1	0	0	112.9	W517	E515-W517 PolarHBondContact O-N 3.38Å
516	E	45.2	Very low	49.4	Very low	164 Å²	164	120.6 Å²	120.6	77%	0.766	60%	0.602	S	S	*	*	G	3₁₀ helix	trans	-68.6	-14	176.8	-66.2	-172.7	135.4	0	0	114.4	S514	S514-E516 PolarHBondContact O-N 2.91Å; S514-E516 VanDerWaalsContact O-N 3.1Å; S514-E516 PolarHBondContact OG-N 3.31Å
517	W	46.8	Very low	47.4	Very low	157 Å²	157	123.5 Å²	123.5	60%	0.595	61%	0.612	S	S	*	*	G	3₁₀ helix	trans	-92.8	-21.8	-178.2	-99.7	55.3	0	0	0	114.6	S514 E515 T519 F520 T521	S514-W517 PolarHBondContact O-N 3.33Å; E515-W517 PolarHBondContact O-N 3.38Å; W517-T519 VanDerWaalsContact C-N 3.31Å; W517-T519 PolarHBondContact O-N 3.15Å; W517-F520 WeakPolarHBondContact O-CA 3.42Å; W517-F520 VanDerWaalsContact O-CB 3.26Å; W517-F520 WeakPolarHBondContact O-CB 3.24Å; W517-F520 PolarHBondContact O-N 2.85Å; W517-T521 PolarHBondContact O-N 3.48Å; W517-T521 PolarHBondContact O-OG1 3.31Å; W517-T521 VanDerWaalsContact O-OG1 3.08Å
518	I	44.5	Very low	46	Very low	113 Å²	113	121.3 Å²	121.3	58%	0.579	62%	0.616	S	S	*	*	H	α-helix	trans	-62.7	-40.3	-174.7	-60.7	174	0	0	0	111	F520 T521 E522	I518-F520 VanDerWaalsContact C-N 3.25Å; I518-F520 PolarHBondContact O-N 3.22Å; I518-T521 PolarHBondContact O-N 3.13Å; I518-T521 PolarHBondContact O-OG1 3Å; I518-E522 PolarHBondContact O-N 2.54Å
519	T	41.6	Very low	44.9	Very low	86 Å²	86	118.4 Å²	118.4	53%	0.528	62%	0.622	S	S	.	*	H	α-helix	trans	-71.4	-15.5	172.9	44.6	0	0	0	0	113.9	W517	W517-T519 VanDerWaalsContact C-N 3.31Å; W517-T519 PolarHBondContact O-N 3.15Å
520	F	39.6	Very low	44.4	Very low	125 Å²	125	117.8 Å²	117.8	55%	0.548	62%	0.617	S	S	.	*	H	α-helix	trans	-84.4	-31.4	172.7	-154.4	-90.6	0	0	0	111.5	W517 I518 Q523 S524	W517-F520 WeakPolarHBondContact O-CA 3.42Å; W517-F520 VanDerWaalsContact O-CB 3.26Å; W517-F520 WeakPolarHBondContact O-CB 3.24Å; W517-F520 PolarHBondContact O-N 2.85Å; I518-F520 VanDerWaalsContact C-N 3.25Å; I518-F520 PolarHBondContact O-N 3.22Å; F520-Q523 PolarHBondContact O-N 2.8Å; F520-S524 VanDerWaalsContact O-CB 3.32Å; F520-S524 WeakPolarHBondContact O-CB 3.47Å; F520-S524 PolarHBondContact O-N 2.98Å; F520-S524 PolarHBondContact O-OG 2.67Å
521	T	40.3	Very low	44.2	Very low	39 Å²	39	116.5 Å²	116.5	24%	0.239	62%	0.618	C	S	.	*	H	α-helix	trans	-63.8	-47.5	174.7	-26.6	0	0	0	0	111.4	W517 I518 Q523 S524 Q525	W517-T521 PolarHBondContact O-N 3.48Å; W517-T521 PolarHBondContact O-OG1 3.31Å; W517-T521 VanDerWaalsContact O-OG1 3.08Å; I518-T521 PolarHBondContact O-N 3.13Å; I518-T521 PolarHBondContact O-OG1 3Å; T521-Q523 VanDerWaalsContact C-N 3.26Å; T521-Q523 PolarHBondContact O-N 2.94Å; T521-S524 PolarHBondContact O-N 3.47Å; T521-S524 PolarHBondContact O-OG 3.34Å; T521-Q525 WeakPolarHBondContact O-CG 3.47Å; T521-Q525 PolarHBondContact O-N 3.3Å
522	E	40.5	Very low	45.6	Very low	138 Å²	138	108.4 Å²	108.4	65%	0.645	58%	0.58	S	S	*	*	H	α-helix	trans	-59.4	-34	178.4	-66.2	-172.6	139.3	0	0	113.1	I518	I518-E522 PolarHBondContact O-N 2.54Å
523	Q	36	Very low	47.1	Very low	149 Å²	149	104.2 Å²	104.2	70%	0.696	56%	0.556	S	S	*	*	H	α-helix	trans	-83.2	-34.5	178.3	-65.4	-174.5	9.8	0	0	112.8	F520 T521	F520-Q523 PolarHBondContact O-N 2.8Å; T521-Q523 VanDerWaalsContact C-N 3.26Å; T521-Q523 PolarHBondContact O-N 2.94Å
524	S	38.3	Very low	49.2	Very low	51 Å²	51	103 Å²	103	36%	0.357	54%	0.543	S	S	.	.	H	α-helix	trans	-81	-23.7	-178.6	56.3	0	0	0	0	114.1	F520 T521 L526 E527 A528	F520-S524 VanDerWaalsContact O-CB 3.32Å; F520-S524 WeakPolarHBondContact O-CB 3.47Å; F520-S524 PolarHBondContact O-N 2.98Å; F520-S524 PolarHBondContact O-OG 2.67Å; T521-S524 PolarHBondContact O-N 3.47Å; T521-S524 PolarHBondContact O-OG 3.34Å; S524-L526 PolarHBondContact O-N 2.74Å; S524-L526 VanDerWaalsContact O-N 3.15Å; S524-E527 CarbonylContact O-C 3.57Å; S524-E527 PolarHBondContact O-N 3.49Å; S524-A528 PolarHBondContact O-N 2.63Å
525	Q	38.3	Very low	51.2	Low	129 Å²	129	100 Å²	100	60%	0.603	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-23	170.7	-77.1	178.3	16.2	0	0	113	T521	T521-Q525 WeakPolarHBondContact O-CG 3.47Å; T521-Q525 PolarHBondContact O-N 3.3Å
526	L	36.2	Very low	53.1	Low	153 Å²	153	92 Å²	92	80%	0.801	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-18.4	175.1	-88	154.8	0	0	0	114.6	S524	S524-L526 PolarHBondContact O-N 2.74Å; S524-L526 VanDerWaalsContact O-N 3.15Å
527	E	33.6	Very low	55.4	Low	179 Å²	179	84.1 Å²	84.1	84%	0.836	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121	15.6	178.5	-66.6	-154.1	144	0	0	114	S524 G529	S524-E527 CarbonylContact O-C 3.57Å; S524-E527 PolarHBondContact O-N 3.49Å; E527-G529 VanDerWaalsContact C-N 3.31Å; E527-G529 PolarHBondContact O-N 2.91Å
528	A	36.5	Very low	57.3	Low	72 Å²	72	76.7 Å²	76.7	60%	0.595	42%	0.42	S	S	*	.			trans	-65.2	83.9	171.5	0	0	0	0	0	111.6	S524 K530	S524-A528 PolarHBondContact O-N 2.63Å; A528-K530 PolarHBondContact O-N 3.26Å
529	G	41.7	Very low	59.1	Low	73 Å²	73	72.6 Å²	72.6	75%	0.753	40%	0.401	S	S	*	.			trans	-61.6	117.6	-174.1	0	0	0	0	0	113.6	E527 A531	E527-G529 VanDerWaalsContact C-N 3.31Å; E527-G529 PolarHBondContact O-N 2.91Å; G529-A531 PolarHBondContact O-N 3.15Å
530	K	52.5	Low	60.9	Low	132 Å²	132	70.5 Å²	70.5	57%	0.574	39%	0.388	S	S	*	.			trans	-44.4	127	-178.1	-68	-169.1	171.4	-172.7	0	112.9	E493 A528 I532	E493-K530 IonicContact OE1-NZ 3.4Å; E493-K530 PolarHBondContact OE1-NZ 3.27Å; A528-K530 PolarHBondContact O-N 3.26Å; K530-I532 PolarHBondContact O-N 2.99Å
531	A	62.9	Low	62.4	Low	57 Å²	57	65.4 Å²	65.4	47%	0.471	37%	0.37	S	S	.	.	S	Bend	trans	-69.6	-21.4	-175.7	0	0	0	0	0	113	G529 R585	G529-A531 PolarHBondContact O-N 3.15Å; A531-R585 WeakPolarHBondContact O-CD 3.48Å; A531-R585 PolarHBondContact O-NH1 3.4Å; A531-R585 VanDerWaalsContact O-NH1 3.15Å
532	I	79.5	Confident	64	Low	23 Å²	23	65.5 Å²	65.5	12%	0.118	37%	0.367	C	S	.	.			trans	-128.8	100.3	173.8	-58.7	169.7	0	0	0	110.8	W376 L378 I492 E496 K530 V534 V586	W376-I532 HydrophobicContact CH2-CB 4.48Å; W376-I532 HydrophobicContact CH2-CD1 3.71Å; W376-I532 HydrophobicContact CH2-CG1 3.81Å; W376-I532 HydrophobicContact CH2-CG2 3.8Å; W376-I532 HydrophobicContact CZ2-CD1 3.51Å; W376-I532 HydrophobicContact CZ2-CG1 3.63Å; W376-I532 HydrophobicContact CZ2-CG2 4.48Å; L378-I532 HydrophobicContact CD2-CD1 4.43Å; I492-I532 HydrophobicContact CG2-CD1 3.59Å; E496-I532 WeakPolarHBondContact OE1-CD1 3.47Å; E496-I532 VanDerWaalsContact OE1-CG1 3.26Å; E496-I532 WeakPolarHBondContact OE1-CG1 3.3Å; K530-I532 PolarHBondContact O-N 2.99Å; I532-V534 HydrophobicContact CG2-CG2 3.85Å; I532-V586 HydrophobicContact CG2-CG2 4.07Å
533	E	86.2	Confident	65.9	Low	52 Å²	52	59.2 Å²	59.2	24%	0.243	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	122.8	164.2	-173.6	-173.3	-177.3	0	0	110.8	S583 V584 R585 V586	E533-S583 WeakPolarHBondContact OE2-CA 3.29Å; E533-S583 WeakPolarHBondContact OE2-CB 3.31Å; E533-S583 PolarHBondContact OE2-OG 3.04Å; E533-V584 VanDerWaalsContact CD-CG2 3.42Å; E533-V584 HydrophobicContact CG-CG2 3.99Å; E533-V584 WeakPolarHBondContact OE2-CG2 3.34Å; E533-V584 PolarHBondContact OE2-N 3.1Å; E533-R585 PolarHBondContact O-N 3.08Å; E533-V586 PolarHBondContact O-N 2.88Å
534	V	89.8	Confident	68.1	Low	31 Å²	31	52.4 Å²	52.4	19%	0.188	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	114.1	178.5	-176.5	0	0	0	0	110.4	F489 I532 L536 V586 V588	F489-V534 HydrophobicContact CB-CG2 4.26Å; F489-V534 HydrophobicContact CD1-CG2 3.66Å; F489-V534 HydrophobicContact CD2-CG1 4.05Å; F489-V534 HydrophobicContact CD2-CG2 4.39Å; F489-V534 HydrophobicContact CE1-CG2 4.13Å; F489-V534 HydrophobicContact CE2-CG1 4.33Å; F489-V534 HydrophobicContact CG-CG1 4.28Å; F489-V534 HydrophobicContact CG-CG2 3.84Å; I532-V534 HydrophobicContact CG2-CG2 3.85Å; V534-L536 HydrophobicContact CG1-CD2 3.95Å; V534-V586 HydrophobicContact CB-CB 4.45Å; V534-V586 HydrophobicContact CG1-CB 4.21Å; V534-V586 HydrophobicContact CG1-CG1 4.29Å; V534-V586 HydrophobicContact CG2-CB 4.23Å; V534-V586 HydrophobicContact CG2-CG2 4.32Å; V534-V588 HydrophobicContact CG1-CG2 4.05Å
535	L	92.7	Very high	69.9	Low	2 Å²	2	51.2 Å²	51.2	1%	0.01	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	102.6	175.5	177.2	52.3	0	0	0	110.4	T537 Y556 V561 F581 V584 V586 L587 V588 L607	L535-T537 HydrophobicContact CD1-CG2 4.03Å; L535-T537 HydrophobicContact CD2-CG2 4.38Å; L535-T537 HydrophobicContact CG-CG2 3.8Å; L535-Y556 HydrophobicContact CD1-CD2 3.77Å; L535-Y556 HydrophobicContact CD1-CE2 4.44Å; L535-V561 HydrophobicContact CD1-CG2 4.08Å; L535-V561 HydrophobicContact CD2-CG1 4Å; L535-V561 HydrophobicContact CD2-CG2 4.01Å; L535-V561 HydrophobicContact CG-CG2 4.47Å; L535-F581 HydrophobicContact CD1-CD1 3.92Å; L535-F581 HydrophobicContact CD1-CE1 3.68Å; L535-F581 HydrophobicContact CD1-CZ 4.33Å; L535-F581 HydrophobicContact CD2-CB 4.49Å; L535-F581 HydrophobicContact CD2-CD1 4.13Å; L535-F581 HydrophobicContact CD2-CG 4.29Å; L535-V584 HydrophobicContact CB-CB 4.38Å; L535-V584 HydrophobicContact CB-CG1 3.53Å; L535-V584 HydrophobicContact CB-CG2 3.83Å; L535-V584 HydrophobicContact CD2-CG1 4.19Å; L535-V584 HydrophobicContact CD2-CG2 4.15Å; L535-V586 PolarHBondContact N-O 3.03Å; L535-L587 HydrophobicContact CB-CD1 4.5Å; L535-L587 HydrophobicContact CD2-CD1 4.17Å; L535-L587 HydrophobicContact CG-CD1 4.08Å; L535-V588 PolarHBondContact O-N 3.34Å; L535-L607 HydrophobicContact CD2-CD1 3.98Å; L535-L607 HydrophobicContact CD2-CD2 4.12Å
536	L	92.9	Very high	71.8	Confident	6 Å²	6	47.1 Å²	47.1	3%	0.031	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	130.2	170.4	-61.8	-168.6	0	0	0	110.6	V534 L547 T551 L553 A555 Y556 V588	V534-L536 HydrophobicContact CG1-CD2 3.95Å; L536-L547 HydrophobicContact CB-CD2 4Å; L536-L547 HydrophobicContact CB-CG 4.36Å; L536-L547 HydrophobicContact CD1-CD1 4.31Å; L536-L547 HydrophobicContact CD1-CG 4.17Å; L536-T551 HydrophobicContact CD1-CG2 3.85Å; L536-T551 WeakPolarHBondContact CD1-OG1 3.21Å; L536-L553 HydrophobicContact CD1-CB 3.73Å; L536-L553 HydrophobicContact CD1-CD1 4.21Å; L536-L553 HydrophobicContact CG-CB 4.41Å; L536-A555 HydrophobicContact CB-CB 3.82Å; L536-A555 WeakPolarHBondContact O-CA 3.13Å; L536-Y556 PolarHBondContact O-N 3.47Å; L536-V588 HydrophobicContact CD2-CB 3.66Å; L536-V588 HydrophobicContact CD2-CG1 4.14Å; L536-V588 HydrophobicContact CD2-CG2 3.7Å
537	T	92.3	Very high	74.1	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	154.6	178.4	68.4	0	0	0	0	114	L535 Y556 L558 V561 L587 V588 D590	L535-T537 HydrophobicContact CD1-CG2 4.03Å; L535-T537 HydrophobicContact CD2-CG2 4.38Å; L535-T537 HydrophobicContact CG-CG2 3.8Å; T537-Y556 WeakPolarHBondContact CA-O 3.36Å; T537-L558 HydrophobicContact CG2-CD2 4.12Å; T537-L558 WeakPolarHBondContact OG1-CD2 3.45Å; T537-V561 HydrophobicContact CG2-CG2 3.98Å; T537-L587 HydrophobicContact CG2-CD1 3.63Å; T537-V588 WeakPolarHBondContact CA-O 3.25Å; T537-V588 PolarHBondContact N-O 2.98Å; T537-V588 PolarHBondContact OG1-O 3.33Å; T537-D590 PolarHBondContact O-N 2.72Å
538	A	88.2	Confident	76.5	Confident	1 Å²	1	38.5 Å²	38.5	1%	0.008	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	160.6	172	0	0	0	0	0	111.3	A543 A544 L547 Y556 T557 L558	A538-A543 HydrophobicContact CB-CB 3.79Å; A538-A544 HydrophobicContact CB-CB 4.11Å; A538-L547 HydrophobicContact CB-CD2 4.45Å; A538-Y556 PolarHBondContact N-O 3.39Å; A538-T557 VanDerWaalsContact O-CA 3.27Å; A538-T557 WeakPolarHBondContact O-CA 3.2Å; A538-L558 PolarHBondContact O-N 3.1Å
539	P	82.1	Confident	78.6	Confident	26 Å²	26	41.7 Å²	41.7	17%	0.169	24%	0.239	C	C	.	.	S	Bend	trans	-72.2	-28.6	177.5	24.2	-33.6	0	0	0	114.4	D590 E591 L594 V595	P539-D590 WeakPolarHBondContact CD-O 3.28Å; P539-E591 HydrophobicContact CG-CB 3.9Å; P539-L594 HydrophobicContact CB-CB 4.08Å; P539-L594 HydrophobicContact CG-CB 3.79Å; P539-L594 HydrophobicContact CG-CD1 3.95Å; P539-L594 HydrophobicContact CG-CG 4.25Å; P539-V595 HydrophobicContact CB-CG2 3.91Å; P539-V595 HydrophobicContact CG-CG2 4.12Å
540	T	77.8	Confident	80.4	Confident	43 Å²	43	43.7 Å²	43.7	26%	0.264	23%	0.227	S	C	.	.	S	Bend	trans	-123.3	151.3	-176.4	73.3	0	0	0	0	111.9	K542 A543 A544	T540-K542 PolarHBondContact O-N 2.89Å; T540-A543 PolarHBondContact O-N 3.25Å; T540-A543 VanDerWaalsContact OG1-CB 3.26Å; T540-A543 WeakPolarHBondContact OG1-CB 3.32Å; T540-A543 PolarHBondContact OG1-N 3.14Å; T540-A544 PolarHBondContact O-N 3.21Å
541	G	71.5	Confident	81.8	Confident	17 Å²	17	37.6 Å²	37.6	18%	0.175	20%	0.2	C	C	.	.	H	α-helix	trans	-60.7	-41.2	-178.8	0	0	0	0	0	113.1	A544 G545	G541-A544 PolarHBondContact O-N 2.88Å; G541-G545 PolarHBondContact O-N 2.69Å
542	K	75.2	Confident	82.4	Confident	41 Å²	41	37.9 Å²	37.9	18%	0.178	21%	0.209	C	C	.	.	H	α-helix	trans	-65.7	-38.7	175.2	-174.2	172.6	173.7	-168.4	0	112.4	T540 G545 L546 S892	T540-K542 PolarHBondContact O-N 2.89Å; K542-G545 PolarHBondContact O-N 3.24Å; K542-L546 HydrophobicContact CG-CD1 4.26Å; K542-L546 WeakPolarHBondContact O-CB 3.34Å; K542-L546 WeakPolarHBondContact O-CG 3.24Å; K542-L546 PolarHBondContact O-N 3.37Å; K542-S892 WeakPolarHBondContact CD-OG 3.42Å; K542-S892 WeakPolarHBondContact CE-OG 3.42Å; K542-S892 PolarHBondContact NZ-OG 2.81Å
543	A	80.3	Confident	82.4	Confident	7 Å²	7	38.4 Å²	38.4	6%	0.058	21%	0.212	C	C	.	.	H	α-helix	trans	-65.4	-40.7	174	0	0	0	0	0	111.6	A538 T540 L546 L547 E591	A538-A543 HydrophobicContact CB-CB 3.79Å; T540-A543 PolarHBondContact O-N 3.25Å; T540-A543 VanDerWaalsContact OG1-CB 3.26Å; T540-A543 WeakPolarHBondContact OG1-CB 3.32Å; T540-A543 PolarHBondContact OG1-N 3.14Å; A543-L546 PolarHBondContact O-N 3.27Å; A543-L547 WeakPolarHBondContact O-CB 3.32Å; A543-L547 PolarHBondContact O-N 3.41Å; A543-E591 HydrophobicContact CB-CG 4.42Å
544	A	80.6	Confident	82.2	Confident	6 Å²	6	42.4 Å²	42.4	5%	0.05	23%	0.23	C	C	.	.	H	α-helix	trans	-64.1	-39.4	173.7	0	0	0	0	0	112.3	A538 T540 G541 L547 R548 A555 T557	A538-A544 HydrophobicContact CB-CB 4.11Å; T540-A544 PolarHBondContact O-N 3.21Å; G541-A544 PolarHBondContact O-N 2.88Å; A544-L547 PolarHBondContact O-N 2.96Å; A544-R548 WeakPolarHBondContact O-CB 3.37Å; A544-R548 PolarHBondContact O-N 3.47Å; A544-A555 WeakPolarHBondContact O-CB 3.3Å; A544-T557 HydrophobicContact CB-CG2 4.18Å
545	G	76.8	Confident	82	Confident	26 Å²	26	41.2 Å²	41.2	27%	0.268	22%	0.224	S	C	.	.	H	α-helix	trans	-62.8	-46.8	174.3	0	0	0	0	0	112.9	G541 K542 L547 R548 Q549	G541-G545 PolarHBondContact O-N 2.69Å; K542-G545 PolarHBondContact O-N 3.24Å; G545-L547 VanDerWaalsContact C-N 3.33Å; G545-L547 PolarHBondContact O-N 2.7Å; G545-R548 PolarHBondContact O-N 2.85Å; G545-Q549 PolarHBondContact O-N 2.98Å
546	L	79.4	Confident	81.6	Confident	43 Å²	43	43.3 Å²	43.3	23%	0.225	23%	0.232	C	C	.	.	H	α-helix	trans	-64.6	-36	174.5	-71.6	170.7	0	0	0	112.2	K542 A543 Q549 K550	K542-L546 HydrophobicContact CG-CD1 4.26Å; K542-L546 WeakPolarHBondContact O-CB 3.34Å; K542-L546 WeakPolarHBondContact O-CG 3.24Å; K542-L546 PolarHBondContact O-N 3.37Å; A543-L546 PolarHBondContact O-N 3.27Å; L546-Q549 PolarHBondContact O-N 3.13Å; L546-K550 VanDerWaalsContact O-CB 3.29Å; L546-K550 WeakPolarHBondContact O-CB 3.44Å; L546-K550 VanDerWaalsContact O-CG 3.25Å; L546-K550 WeakPolarHBondContact O-CG 3.47Å; L546-K550 PolarHBondContact O-N 3.42Å
547	L	83.7	Confident	81.2	Confident	8 Å²	8	43.2 Å²	43.2	4%	0.042	23%	0.231	C	C	.	.	H	α-helix	trans	-65.3	-45.3	174.6	-177.2	58.7	0	0	0	110.8	T482 L536 A538 A543 A544 G545 K550 T551 A555 D590	T482-L547 HydrophobicContact CG2-CD1 3.28Å; L536-L547 HydrophobicContact CB-CD2 4Å; L536-L547 HydrophobicContact CB-CG 4.36Å; L536-L547 HydrophobicContact CD1-CD1 4.31Å; L536-L547 HydrophobicContact CD1-CG 4.17Å; A538-L547 HydrophobicContact CB-CD2 4.45Å; A543-L547 WeakPolarHBondContact O-CB 3.32Å; A543-L547 PolarHBondContact O-N 3.41Å; A544-L547 PolarHBondContact O-N 2.96Å; G545-L547 VanDerWaalsContact C-N 3.33Å; G545-L547 PolarHBondContact O-N 2.7Å; L547-K550 PolarHBondContact O-N 3.36Å; L547-T551 HydrophobicContact CD1-CG2 3.94Å; L547-T551 WeakPolarHBondContact O-CB 3.29Å; L547-T551 VanDerWaalsContact O-CG2 3.3Å; L547-T551 WeakPolarHBondContact O-CG2 3.42Å; L547-T551 PolarHBondContact O-N 2.92Å; L547-T551 PolarHBondContact O-OG1 3.46Å; L547-A555 HydrophobicContact CB-CB 4Å; L547-A555 HydrophobicContact CD2-CB 3.92Å; L547-A555 HydrophobicContact CG-CB 3.82Å; L547-D590 HydrophobicContact CD1-CB 4.49Å; L547-D590 HydrophobicContact CD2-CB 4.17Å
548	R	83.6	Confident	80.8	Confident	143 Å²	143	43.3 Å²	43.3	54%	0.54	23%	0.232	S	C	.	.	H	α-helix	trans	-58.9	-46.8	173	-176.8	175.3	69.4	-157	4.2	111.7	A544 G545 G552 A555	A544-R548 WeakPolarHBondContact O-CB 3.37Å; A544-R548 PolarHBondContact O-N 3.47Å; G545-R548 PolarHBondContact O-N 2.85Å; R548-G552 WeakPolarHBondContact O-CA 3.43Å; R548-G552 PolarHBondContact O-N 3.37Å; R548-A555 HydrophobicContact CB-CB 4.16Å
549	Q	80	Confident	80.3	Confident	139 Å²	139	45 Å²	45	65%	0.65	24%	0.243	S	C	*	.	H	α-helix	trans	-65	-44	179.3	-169.7	-174.9	19.1	0	0	112.6	G545 L546 T551	G545-Q549 PolarHBondContact O-N 2.98Å; L546-Q549 PolarHBondContact O-N 3.13Å; Q549-T551 VanDerWaalsContact C-N 3.34Å; Q549-T551 PolarHBondContact O-N 3.28Å
550	K	80.4	Confident	80.1	Confident	115 Å²	115	46.5 Å²	46.5	50%	0.5	25%	0.248	S	C	.	.	H	α-helix	trans	-71.4	-25.8	-178.9	-73.6	172	177.9	176.4	0	113.5	L546 L547 E893	L546-K550 VanDerWaalsContact O-CB 3.29Å; L546-K550 WeakPolarHBondContact O-CB 3.44Å; L546-K550 VanDerWaalsContact O-CG 3.25Å; L546-K550 WeakPolarHBondContact O-CG 3.47Å; L546-K550 PolarHBondContact O-N 3.42Å; L547-K550 PolarHBondContact O-N 3.36Å; K550-E893 IonicContact NZ-OE2 3.9Å; K550-E893 PolarHBondContact NZ-OE2 2.99Å
551	T	81.7	Confident	80.3	Confident	3 Å²	3	44.4 Å²	44.4	2%	0.018	24%	0.235	C	C	.	.	H	α-helix	trans	-105.3	-28.5	-176.6	63.1	0	0	0	0	113.8	T482 S486 K490 L536 L547 Q549 L553	T482-T551 HydrophobicContact CG2-CG2 4.3Å; S486-T551 WeakPolarHBondContact OG-CA 3.38Å; S486-T551 VanDerWaalsContact OG-CB 3.31Å; S486-T551 WeakPolarHBondContact OG-CB 2.9Å; S486-T551 WeakPolarHBondContact OG-CG2 3.15Å; K490-T551 WeakPolarHBondContact CE-O 3.28Å; K490-T551 PolarHBondContact NZ-O 2.94Å; L536-T551 HydrophobicContact CD1-CG2 3.85Å; L536-T551 WeakPolarHBondContact CD1-OG1 3.21Å; L547-T551 HydrophobicContact CD1-CG2 3.94Å; L547-T551 WeakPolarHBondContact O-CB 3.29Å; L547-T551 VanDerWaalsContact O-CG2 3.3Å; L547-T551 WeakPolarHBondContact O-CG2 3.42Å; L547-T551 PolarHBondContact O-N 2.92Å; L547-T551 PolarHBondContact O-OG1 3.46Å; Q549-T551 VanDerWaalsContact C-N 3.34Å; Q549-T551 PolarHBondContact O-N 3.28Å; T551-L553 PolarHBondContact O-N 2.95Å; T551-L553 PolarHBondContact OG1-N 2.69Å
552	G	76.4	Confident	80.6	Confident	63 Å²	63	43.6 Å²	43.6	65%	0.649	23%	0.227	S	C	*	.	S	Bend	trans	73.6	-3.8	-166.7	0	0	0	0	0	114	R548	R548-G552 WeakPolarHBondContact O-CA 3.43Å; R548-G552 PolarHBondContact O-N 3.37Å
553	L	79.4	Confident	80.5	Confident	34 Å²	34	45.6 Å²	45.6	18%	0.178	23%	0.234	C	C	.	.	S	Bend	trans	-93.6	154.9	179.4	-63.9	173.6	0	0	0	110.7	L536 T551 A555	L536-L553 HydrophobicContact CD1-CB 3.73Å; L536-L553 HydrophobicContact CD1-CD1 4.21Å; L536-L553 HydrophobicContact CG-CB 4.41Å; T551-L553 PolarHBondContact O-N 2.95Å; T551-L553 PolarHBondContact OG1-N 2.69Å; L553-A555 PolarHBondContact O-N 2.76Å; L553-A555 VanDerWaalsContact O-N 3.14Å
554	H	80.8	Confident	80.5	Confident	136 Å²	136	46.6 Å²	46.6	63%	0.63	24%	0.241	S	C	*	.			trans	-66.3	114.2	177.1	-66.5	-47.5	0	0	0	111.6	Y556	H554-Y556 HydrophobicContact CB-CE2 3.75Å
555	A	85.4	Confident	80.4	Confident	7 Å²	7	46.7 Å²	46.7	6%	0.058	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	140.7	173.9	0	0	0	0	0	111.8	L536 A544 L547 R548 L553	L536-A555 HydrophobicContact CB-CB 3.82Å; L536-A555 WeakPolarHBondContact O-CA 3.13Å; A544-A555 WeakPolarHBondContact O-CB 3.3Å; L547-A555 HydrophobicContact CB-CB 4Å; L547-A555 HydrophobicContact CD2-CB 3.92Å; L547-A555 HydrophobicContact CG-CB 3.82Å; R548-A555 HydrophobicContact CB-CB 4.16Å; L553-A555 PolarHBondContact O-N 2.76Å; L553-A555 VanDerWaalsContact O-N 3.14Å
556	Y	84.5	Confident	80.1	Confident	45 Å²	45	46.1 Å²	46.1	18%	0.176	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	160	-176.4	-59.8	-83.6	0	0	0	111.4	L535 L536 T537 A538 H554 K580 F581	L535-Y556 HydrophobicContact CD1-CD2 3.77Å; L535-Y556 HydrophobicContact CD1-CE2 4.44Å; L536-Y556 PolarHBondContact O-N 3.47Å; T537-Y556 WeakPolarHBondContact CA-O 3.36Å; A538-Y556 PolarHBondContact N-O 3.39Å; H554-Y556 HydrophobicContact CB-CE2 3.75Å; Y556-K580 WeakPolarHBondContact OH-CE 3.19Å; Y556-K580 PolarHBondContact OH-NZ 3.33Å; Y556-F581 HydrophobicContact CD1-CZ 4.39Å; Y556-F581 AromaticContact CD2-CE1 3.91Å; Y556-F581 HydrophobicContact CD2-CE1 3.91Å; Y556-F581 AromaticContact CD2-CZ 3.84Å; Y556-F581 HydrophobicContact CD2-CZ 3.84Å; Y556-F581 HydrophobicContact CE1-CZ 4.39Å; Y556-F581 AromaticContact CE2-CE1 3.71Å; Y556-F581 HydrophobicContact CE2-CE1 3.71Å; Y556-F581 AromaticContact CE2-CZ 3.85Å; Y556-F581 HydrophobicContact CE2-CZ 3.85Å; Y556-F581 HydrophobicContact CG-CZ 4.12Å
557	T	84.2	Confident	79.6	Confident	4 Å²	4	46.2 Å²	46.2	3%	0.025	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	150.3	164.4	57.5	0	0	0	0	110.9	A538 A544 C559 Q560 V561	A538-T557 VanDerWaalsContact O-CA 3.27Å; A538-T557 WeakPolarHBondContact O-CA 3.2Å; A544-T557 HydrophobicContact CB-CG2 4.18Å; T557-C559 PolarHBondContact O-N 2.73Å; T557-C559 PolarHBondContact OG1-SG 2.86Å; T557-Q560 WeakPolarHBondContact O-CA 3.3Å; T557-Q560 WeakPolarHBondContact O-CB 3.41Å; T557-Q560 PolarHBondContact O-N 3.25Å; T557-Q560 WeakPolarHBondContact OG1-CB 3.29Å; T557-Q560 VanDerWaalsContact OG1-CD 3.31Å; T557-Q560 VanDerWaalsContact OG1-CG 3.26Å; T557-Q560 WeakPolarHBondContact OG1-CG 3.26Å; T557-Q560 PolarHBondContact OG1-N 3.3Å; T557-Q560 PolarHBondContact OG1-OE1 2.93Å; T557-V561 PolarHBondContact O-N 2.93Å; T557-V561 VanDerWaalsContact O-N 3.1Å
558	L	85.1	Confident	79.3	Confident	3 Å²	3	48.3 Å²	48.3	2%	0.016	24%	0.241	C	C	.	.	H	α-helix	trans	-55	-36.6	173.3	-67.6	170.5	0	0	0	111.7	T537 A538 Q560 V561 N562 V589 V595 I599 V603	T537-L558 HydrophobicContact CG2-CD2 4.12Å; T537-L558 WeakPolarHBondContact OG1-CD2 3.45Å; A538-L558 PolarHBondContact O-N 3.1Å; L558-Q560 PolarHBondContact O-N 3.42Å; L558-V561 PolarHBondContact O-N 3.35Å; L558-N562 WeakPolarHBondContact O-CB 3.47Å; L558-N562 PolarHBondContact O-N 2.69Å; L558-V589 HydrophobicContact CD1-CG1 4.31Å; L558-V595 HydrophobicContact CD1-CB 4.47Å; L558-V595 HydrophobicContact CD1-CG1 3.65Å; L558-V595 HydrophobicContact CD1-CG2 3.92Å; L558-I599 HydrophobicContact CB-CD1 4.11Å; L558-I599 HydrophobicContact CB-CG1 3.55Å; L558-I599 HydrophobicContact CD1-CG1 4.3Å; L558-I599 HydrophobicContact CD1-CG2 4.41Å; L558-V603 HydrophobicContact CB-CG2 4.22Å; L558-V603 HydrophobicContact CD2-CB 4.28Å; L558-V603 HydrophobicContact CD2-CG1 3.92Å; L558-V603 HydrophobicContact CD2-CG2 4.33Å; L558-V603 VanDerWaalsContact O-CG2 3.3Å; L558-V603 WeakPolarHBondContact O-CG2 3.25Å
559	C	77.9	Confident	79	Confident	36 Å²	36	44.6 Å²	44.6	24%	0.243	23%	0.233	C	C	.	.	H	α-helix	trans	-64.6	-31.8	172.1	19.5	0	0	0	0	114.2	F41 T557 Y563	F41-C559 HydrophobicContact CE1-CB 4.27Å; F41-C559 HydrophobicContact CE2-CB 3.8Å; F41-C559 VanDerWaalsContact CE2-SG 3.55Å; F41-C559 HydrophobicContact CZ-CB 3.35Å; T557-C559 PolarHBondContact O-N 2.73Å; T557-C559 PolarHBondContact OG1-SG 2.86Å; C559-Y563 WeakPolarHBondContact O-CB 3.29Å; C559-Y563 PolarHBondContact O-N 3.44Å
560	Q	77.9	Confident	78.4	Confident	57 Å²	57	43 Å²	43	27%	0.266	23%	0.225	S	C	.	.	H	α-helix	trans	-72.2	-39.1	174.6	-80.4	163.2	-58.6	0	0	112.1	T557 L558 S564	T557-Q560 WeakPolarHBondContact O-CA 3.3Å; T557-Q560 WeakPolarHBondContact O-CB 3.41Å; T557-Q560 PolarHBondContact O-N 3.25Å; T557-Q560 WeakPolarHBondContact OG1-CB 3.29Å; T557-Q560 VanDerWaalsContact OG1-CD 3.31Å; T557-Q560 VanDerWaalsContact OG1-CG 3.26Å; T557-Q560 WeakPolarHBondContact OG1-CG 3.26Å; T557-Q560 PolarHBondContact OG1-N 3.3Å; T557-Q560 PolarHBondContact OG1-OE1 2.93Å; L558-Q560 PolarHBondContact O-N 3.42Å; Q560-S564 WeakPolarHBondContact O-CB 3.46Å; Q560-S564 PolarHBondContact O-N 2.87Å
561	V	81.9	Confident	77.8	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-60.6	-49.9	172.7	179.7	0	0	0	0	109.7	L535 T537 T557 L558 S564 F565 W579 F581 V603	L535-V561 HydrophobicContact CD1-CG2 4.08Å; L535-V561 HydrophobicContact CD2-CG1 4Å; L535-V561 HydrophobicContact CD2-CG2 4.01Å; L535-V561 HydrophobicContact CG-CG2 4.47Å; T537-V561 HydrophobicContact CG2-CG2 3.98Å; T557-V561 PolarHBondContact O-N 2.93Å; T557-V561 VanDerWaalsContact O-N 3.1Å; L558-V561 PolarHBondContact O-N 3.35Å; V561-S564 WeakPolarHBondContact O-CB 3.12Å; V561-S564 PolarHBondContact O-N 3.5Å; V561-F565 PolarHBondContact O-N 3.35Å; V561-W579 HydrophobicContact CG1-CH2 4.24Å; V561-W579 HydrophobicContact CG1-CZ2 4.03Å; V561-F581 HydrophobicContact CB-CE2 4.44Å; V561-F581 HydrophobicContact CG1-CD2 4.07Å; V561-F581 HydrophobicContact CG1-CE2 4.39Å; V561-F581 HydrophobicContact CG2-CE2 4.28Å; V561-F581 HydrophobicContact CG2-CZ 4.46Å; V561-V603 HydrophobicContact CB-CG1 4.47Å; V561-V603 HydrophobicContact CB-CG2 4.48Å; V561-V603 HydrophobicContact CG1-CG1 4.03Å
562	N	77.4	Confident	76.8	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-60.5	-52.2	179.9	-152.6	-1.8	0	0	0	111.2	A44 L558 S564 F565 Y566 I599 S602 V603 L606	A44-N562 HydrophobicContact CB-CB 3.81Å; A44-N562 VanDerWaalsContact CB-CG 3.46Å; L558-N562 WeakPolarHBondContact O-CB 3.47Å; L558-N562 PolarHBondContact O-N 2.69Å; N562-S564 VanDerWaalsContact C-N 3.27Å; N562-S564 PolarHBondContact O-N 3.03Å; N562-F565 PolarHBondContact O-N 2.81Å; N562-Y566 WeakPolarHBondContact O-CB 3.18Å; N562-Y566 VanDerWaalsContact O-CD2 3.29Å; N562-Y566 WeakPolarHBondContact O-CD2 3.44Å; N562-Y566 PolarHBondContact O-N 3.36Å; N562-Y566 VanDerWaalsContact OD1-CD2 3.24Å; N562-Y566 WeakPolarHBondContact OD1-CD2 3.37Å; N562-Y566 WeakPolarHBondContact OD1-CE2 3.3Å; N562-I599 HydrophobicContact CB-CD1 4.04Å; N562-I599 WeakPolarHBondContact ND2-CD1 3.43Å; N562-S602 WeakPolarHBondContact ND2-CB 3.49Å; N562-S602 PolarHBondContact ND2-OG 3.34Å; N562-S602 PolarHBondContact OD1-OG 3.28Å; N562-V603 HydrophobicContact CB-CG2 3.82Å; N562-L606 WeakPolarHBondContact OD1-CD1 3.15Å
563	Y	74	Confident	75.8	Confident	82 Å²	82	49 Å²	49	32%	0.322	24%	0.244	S	C	.	.	H	α-helix	trans	-59	-34.6	175.6	-179.4	-102.7	0	0	0	113.4	C559 Y566 S567	C559-Y563 WeakPolarHBondContact O-CB 3.29Å; C559-Y563 PolarHBondContact O-N 3.44Å; Y563-Y566 PolarHBondContact O-N 2.76Å; Y563-S567 VanDerWaalsContact O-CB 3.31Å; Y563-S567 WeakPolarHBondContact O-CB 3.37Å; Y563-S567 PolarHBondContact O-N 3.15Å
564	S	78.4	Confident	74.7	Confident	29 Å²	29	53 Å²	53	20%	0.203	27%	0.271	C	S	.	.	H	α-helix	trans	-66.1	-43.8	178.3	172.4	0	0	0	0	112.4	Q560 V561 N562 Y566 W568 W579	Q560-S564 WeakPolarHBondContact O-CB 3.46Å; Q560-S564 PolarHBondContact O-N 2.87Å; V561-S564 WeakPolarHBondContact O-CB 3.12Å; V561-S564 PolarHBondContact O-N 3.5Å; N562-S564 VanDerWaalsContact C-N 3.27Å; N562-S564 PolarHBondContact O-N 3.03Å; S564-Y566 VanDerWaalsContact C-N 3.26Å; S564-Y566 PolarHBondContact O-N 2.94Å; S564-W568 VanDerWaalsContact O-CB 3.25Å; S564-W568 WeakPolarHBondContact O-CB 3.42Å; S564-W568 PolarHBondContact O-N 2.97Å; S564-W568 VanDerWaalsContact O-N 3.14Å; S564-W579 PolarHBondContact OG-NE1 3.44Å
565	F	78.6	Confident	73.6	Confident	7 Å²	7	49.5 Å²	49.5	3%	0.031	26%	0.259	C	S	.	.	H	α-helix	trans	-58.3	-45.6	173.2	178.9	-96.2	0	0	0	110.7	V561 N562 W568 N569 W579 L606 H610	V561-F565 PolarHBondContact O-N 3.35Å; N562-F565 PolarHBondContact O-N 2.81Å; F565-W568 HydrophobicContact CD2-CE3 4.01Å; F565-W568 HydrophobicContact CD2-CZ3 4.08Å; F565-W568 AromaticContact CE2-CE3 3.92Å; F565-W568 HydrophobicContact CE2-CE3 3.92Å; F565-W568 AromaticContact CE2-CZ3 3.55Å; F565-W568 HydrophobicContact CE2-CZ3 3.55Å; F565-W568 HydrophobicContact CZ-CZ3 4.13Å; F565-W568 WeakPolarHBondContact O-CB 3.41Å; F565-W568 PolarHBondContact O-N 3.27Å; F565-N569 HydrophobicContact CE1-CB 4.26Å; F565-N569 WeakPolarHBondContact O-CB 3.32Å; F565-N569 PolarHBondContact O-N 2.91Å; F565-W579 VanDerWaalsContact CA-NE1 3.28Å; F565-W579 HydrophobicContact CB-CD2 4.29Å; F565-W579 HydrophobicContact CB-CH2 4.16Å; F565-W579 HydrophobicContact CB-CZ2 3.57Å; F565-W579 AromaticContact CD2-CD2 3.74Å; F565-W579 HydrophobicContact CD2-CD2 3.74Å; F565-W579 AromaticContact CD2-CE2 3.97Å; F565-W579 AromaticContact CD2-CE3 3.79Å; F565-W579 HydrophobicContact CD2-CE3 3.79Å; F565-W579 HydrophobicContact CD2-CG 4.2Å; F565-W579 HydrophobicContact CD2-CH2 4.25Å; F565-W579 HydrophobicContact CD2-CZ2 4.24Å; F565-W579 HydrophobicContact CD2-CZ3 4.04Å; F565-W579 HydrophobicContact CE2-CE3 4.49Å; F565-W579 HydrophobicContact CG-CZ2 4.38Å; F565-W579 VanDerWaalsContact N-NE1 3.15Å; F565-L606 HydrophobicContact CB-CD1 3.73Å; F565-L606 HydrophobicContact CD1-CD1 3.91Å; F565-L606 HydrophobicContact CD1-CD2 3.35Å; F565-L606 HydrophobicContact CD1-CG 4.25Å; F565-L606 HydrophobicContact CD2-CD2 4.07Å; F565-L606 HydrophobicContact CE1-CD2 3.42Å; F565-L606 VanDerWaalsContact CE1-CD2 3.42Å; F565-L606 HydrophobicContact CE2-CD2 4.12Å; F565-L606 HydrophobicContact CG-CD1 3.83Å; F565-L606 HydrophobicContact CG-CD2 3.7Å; F565-L606 HydrophobicContact CG-CG 4.29Å; F565-L606 HydrophobicContact CZ-CD2 3.81Å; F565-H610 HydrophobicContact CD2-CB 4.48Å; F565-H610 HydrophobicContact CE2-CB 3.85Å; F565-H610 AromaticContact CE2-CD2 3.3Å; F565-H610 WeakPolarHBondContact CE2-CD2 3.43Å; F565-H610 AromaticContact CE2-CG 3.51Å; F565-H610 AromaticContact CE2-NE2 3.83Å; F565-H610 AromaticContact CZ-CD2 3.37Å; F565-H610 WeakPolarHBondContact CZ-CD2 3.24Å; F565-H610 AromaticContact CZ-CG 3.95Å; F565-H610 AromaticContact CZ-NE2 3.43Å; F565-H610 WeakPolarHBondContact CZ-NE2 3.29Å
566	Y	71.3	Confident	72.8	Confident	15 Å²	15	57.2 Å²	57.2	6%	0.059	30%	0.299	C	S	.	.	H	α-helix	trans	-78.7	-32.9	-167.6	-90.3	-53.6	0	0	0	113.5	A44 E45 C48 N562 Y563 S564 Q570 L606	A44-Y566 HydrophobicContact CB-CD2 3.75Å; A44-Y566 HydrophobicContact CB-CE2 4.5Å; A44-Y566 HydrophobicContact CB-CG 4.46Å; A44-Y566 VanDerWaalsContact O-CD2 3.24Å; A44-Y566 WeakPolarHBondContact O-CD2 3.19Å; A44-Y566 VanDerWaalsContact O-CG 3.31Å; E45-Y566 VanDerWaalsContact CA-CE2 3.44Å; E45-Y566 VanDerWaalsContact CA-CZ 3.47Å; E45-Y566 HydrophobicContact CB-CE2 3.89Å; E45-Y566 WeakPolarHBondContact CG-OH 3.38Å; C48-Y566 VanDerWaalsContact CB-CB 3.47Å; C48-Y566 HydrophobicContact CB-CD1 3.72Å; C48-Y566 HydrophobicContact CB-CG 3.9Å; C48-Y566 WeakPolarHBondContact CB-O 3.24Å; N562-Y566 WeakPolarHBondContact O-CB 3.18Å; N562-Y566 VanDerWaalsContact O-CD2 3.29Å; N562-Y566 WeakPolarHBondContact O-CD2 3.44Å; N562-Y566 PolarHBondContact O-N 3.36Å; N562-Y566 VanDerWaalsContact OD1-CD2 3.24Å; N562-Y566 WeakPolarHBondContact OD1-CD2 3.37Å; N562-Y566 WeakPolarHBondContact OD1-CE2 3.3Å; Y563-Y566 PolarHBondContact O-N 2.76Å; S564-Y566 VanDerWaalsContact C-N 3.26Å; S564-Y566 PolarHBondContact O-N 2.94Å; Y566-Q570 PolarHBondContact O-N 3.5Å; Y566-L606 HydrophobicContact CD2-CD1 4.23Å; Y566-L606 HydrophobicContact CE2-CD1 3.75Å; Y566-L606 HydrophobicContact CE2-CD2 4.27Å; Y566-L606 HydrophobicContact CE2-CG 4.44Å
567	S	69.4	Low	72.4	Confident	45 Å²	45	62.5 Å²	62.5	32%	0.315	32%	0.323	S	S	.	.	H	α-helix	trans	-65.3	-41.4	165.4	-172.4	0	0	0	0	111.7	Y563 Q570 T571	Y563-S567 VanDerWaalsContact O-CB 3.31Å; Y563-S567 WeakPolarHBondContact O-CB 3.37Å; Y563-S567 PolarHBondContact O-N 3.15Å; S567-Q570 PolarHBondContact O-N 2.83Å; S567-T571 PolarHBondContact O-N 2.88Å; S567-T571 PolarHBondContact O-OG1 3.27Å
568	W	77.4	Confident	72.3	Confident	51 Å²	51	67 Å²	67	19%	0.193	35%	0.353	C	S	.	.	H	α-helix	trans	-64.1	-42	176.3	168.4	80.3	0	0	0	112	S564 F565 Q570 T571 M572 K577 W579	S564-W568 VanDerWaalsContact O-CB 3.25Å; S564-W568 WeakPolarHBondContact O-CB 3.42Å; S564-W568 PolarHBondContact O-N 2.97Å; S564-W568 VanDerWaalsContact O-N 3.14Å; F565-W568 HydrophobicContact CD2-CE3 4.01Å; F565-W568 HydrophobicContact CD2-CZ3 4.08Å; F565-W568 AromaticContact CE2-CE3 3.92Å; F565-W568 HydrophobicContact CE2-CE3 3.92Å; F565-W568 AromaticContact CE2-CZ3 3.55Å; F565-W568 HydrophobicContact CE2-CZ3 3.55Å; F565-W568 HydrophobicContact CZ-CZ3 4.13Å; F565-W568 WeakPolarHBondContact O-CB 3.41Å; F565-W568 PolarHBondContact O-N 3.27Å; W568-Q570 VanDerWaalsContact C-N 3.26Å; W568-Q570 PolarHBondContact O-N 3.11Å; W568-T571 CarbonylContact O-C 3.58Å; W568-T571 PolarHBondContact O-N 2.82Å; W568-T571 PolarHBondContact O-OG1 3.45Å; W568-M572 HydrophobicContact CD2-CE 4.48Å; W568-M572 HydrophobicContact CD2-CG 4.47Å; W568-M572 HydrophobicContact CD2-SD 4.38Å; W568-M572 HydrophobicContact CE3-SD 4.4Å; W568-M572 HydrophobicContact CH2-CE 4.06Å; W568-M572 HydrophobicContact CH2-SD 3.49Å; W568-M572 WeakPolarHBondContact CH2-SD 3.3Å; W568-M572 HydrophobicContact CZ2-CE 3.34Å; W568-M572 HydrophobicContact CZ2-SD 3.44Å; W568-M572 WeakPolarHBondContact CZ2-SD 3.36Å; W568-M572 HydrophobicContact CZ3-SD 3.97Å; W568-M572 WeakPolarHBondContact O-CG 3.3Å; W568-M572 PolarHBondContact O-N 3.28Å; W568-K577 PolarHBondContact NE1-O 3.24Å; W568-W579 HydrophobicContact CD2-CB 3.63Å; W568-W579 HydrophobicContact CD2-CG 4.24Å; W568-W579 VanDerWaalsContact CE2-N 3.26Å; W568-W579 HydrophobicContact CE3-CB 3.78Å; W568-W579 HydrophobicContact CE3-CG 4.21Å; W568-W579 HydrophobicContact CG-CB 4.19Å; W568-W579 HydrophobicContact CH2-CB 4.02Å; W568-W579 HydrophobicContact CZ2-CB 3.88Å; W568-W579 VanDerWaalsContact CZ2-N 3.33Å; W568-W579 HydrophobicContact CZ3-CB 3.98Å
569	N	76	Confident	72.3	Confident	66 Å²	66	67.1 Å²	67.1	35%	0.353	35%	0.353	S	S	.	.	H	α-helix	trans	-60.1	-36.3	179	-167.2	23.6	0	0	0	112.1	F565 M572	F565-N569 HydrophobicContact CE1-CB 4.26Å; F565-N569 WeakPolarHBondContact O-CB 3.32Å; F565-N569 PolarHBondContact O-N 2.91Å; N569-M572 WeakPolarHBondContact O-CB 3.48Å; N569-M572 WeakPolarHBondContact O-CG 3.31Å
570	Q	68.6	Low	72.6	Confident	106 Å²	106	71.1 Å²	71.1	50%	0.495	37%	0.366	S	S	.	.	H	α-helix	trans	-70.3	-33.1	174.1	-68.7	-176.6	-17.4	0	0	113.1	C48 Y566 S567 W568	C48-Q570 VanDerWaalsContact CA-NE2 3.28Å; C48-Q570 HydrophobicContact CB-CG 4.17Å; C48-Q570 PolarHBondContact O-NE2 3.42Å; Y566-Q570 PolarHBondContact O-N 3.5Å; S567-Q570 PolarHBondContact O-N 2.83Å; W568-Q570 VanDerWaalsContact C-N 3.26Å; W568-Q570 PolarHBondContact O-N 3.11Å
571	T	67.7	Low	73.1	Confident	56 Å²	56	68.6 Å²	68.6	34%	0.344	35%	0.354	S	S	.	.	H	α-helix	trans	-93.9	5.2	178.9	60.2	0	0	0	0	114	S567 W568 M573 T574 T575	S567-T571 PolarHBondContact O-N 2.88Å; S567-T571 PolarHBondContact O-OG1 3.27Å; W568-T571 CarbonylContact O-C 3.58Å; W568-T571 PolarHBondContact O-N 2.82Å; W568-T571 PolarHBondContact O-OG1 3.45Å; T571-M573 PolarHBondContact O-N 3.5Å; T571-T574 PolarHBondContact O-N 3.2Å; T571-T574 VanDerWaalsContact O-N 3.09Å; T571-T574 PolarHBondContact O-OG1 3.13Å; T571-T575 WeakPolarHBondContact CB-OG1 3.43Å; T571-T575 PolarHBondContact O-N 3.37Å; T571-T575 PolarHBondContact O-OG1 3.35Å
572	M	61	Low	73.4	Confident	67 Å²	67	70.1 Å²	70.1	33%	0.33	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.5	-40.9	171.9	-77.6	-97.2	63.8	0	0	112.4	W568 N569 T574	W568-M572 HydrophobicContact CD2-CE 4.48Å; W568-M572 HydrophobicContact CD2-CG 4.47Å; W568-M572 HydrophobicContact CD2-SD 4.38Å; W568-M572 HydrophobicContact CE3-SD 4.4Å; W568-M572 HydrophobicContact CH2-CE 4.06Å; W568-M572 HydrophobicContact CH2-SD 3.49Å; W568-M572 WeakPolarHBondContact CH2-SD 3.3Å; W568-M572 HydrophobicContact CZ2-CE 3.34Å; W568-M572 HydrophobicContact CZ2-SD 3.44Å; W568-M572 WeakPolarHBondContact CZ2-SD 3.36Å; W568-M572 HydrophobicContact CZ3-SD 3.97Å; W568-M572 WeakPolarHBondContact O-CG 3.3Å; W568-M572 PolarHBondContact O-N 3.28Å; N569-M572 WeakPolarHBondContact O-CB 3.48Å; N569-M572 WeakPolarHBondContact O-CG 3.31Å; M572-T574 PolarHBondContact O-N 2.93Å
573	M	53.9	Low	73.9	Confident	182 Å²	182	72.8 Å²	72.8	90%	0.897	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-20.6	-177.6	-64.8	-69.8	177.7	0	0	113.5	T571	T571-M573 PolarHBondContact O-N 3.5Å
574	T	57.4	Low	74.7	Confident	120 Å²	120	68.9 Å²	68.9	74%	0.736	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.2	-15.1	-176.4	41.8	0	0	0	0	113.8	T571 M572	T571-T574 PolarHBondContact O-N 3.2Å; T571-T574 VanDerWaalsContact O-N 3.09Å; T571-T574 PolarHBondContact O-OG1 3.13Å; M572-T574 PolarHBondContact O-N 2.93Å
575	T	57.6	Low	75.3	Confident	62 Å²	62	70.7 Å²	70.7	38%	0.38	37%	0.371	S	S	.	.			trans	-134.1	104	-177.7	10.8	0	0	0	0	111.1	T571 K577	T571-T575 WeakPolarHBondContact CB-OG1 3.43Å; T571-T575 PolarHBondContact O-N 3.37Å; T571-T575 PolarHBondContact O-OG1 3.35Å; T575-K577 PolarHBondContact O-N 3.04Å
576	N	69	Low	75.9	Confident	169 Å²	169	70.4 Å²	70.4	90%	0.904	37%	0.369	S	S	*	.			trans	-77	38.2	179.5	-161	32.8	0	0	0	113.3
577	K	76.1	Confident	77	Confident	156 Å²	156	69.7 Å²	69.7	68%	0.678	37%	0.366	S	S	*	.			trans	-104.2	145	176.9	-69.5	-168.3	176	-170.7	0	109.6	W568 T575	W568-K577 PolarHBondContact NE1-O 3.24Å; T575-K577 PolarHBondContact O-N 3.04Å
578	P	81.3	Confident	78.3	Confident	99 Å²	99	67.6 Å²	67.6	64%	0.643	35%	0.352	S	S	*	.			trans	-67.8	163.1	176.6	30.6	-36.4	0	0	0	111.8
579	W	85.4	Confident	79.2	Confident	5 Å²	5	65.2 Å²	65.2	2%	0.019	34%	0.343	C	S	.	.			trans	-63.3	138.3	176.1	176.7	40.7	0	0	0	110.7	V561 S564 F565 W568 F581 S582 L606 L607 H610	V561-W579 HydrophobicContact CG1-CH2 4.24Å; V561-W579 HydrophobicContact CG1-CZ2 4.03Å; S564-W579 PolarHBondContact OG-NE1 3.44Å; F565-W579 VanDerWaalsContact CA-NE1 3.28Å; F565-W579 HydrophobicContact CB-CD2 4.29Å; F565-W579 HydrophobicContact CB-CH2 4.16Å; F565-W579 HydrophobicContact CB-CZ2 3.57Å; F565-W579 AromaticContact CD2-CD2 3.74Å; F565-W579 HydrophobicContact CD2-CD2 3.74Å; F565-W579 AromaticContact CD2-CE2 3.97Å; F565-W579 AromaticContact CD2-CE3 3.79Å; F565-W579 HydrophobicContact CD2-CE3 3.79Å; F565-W579 HydrophobicContact CD2-CG 4.2Å; F565-W579 HydrophobicContact CD2-CH2 4.25Å; F565-W579 HydrophobicContact CD2-CZ2 4.24Å; F565-W579 HydrophobicContact CD2-CZ3 4.04Å; F565-W579 HydrophobicContact CE2-CE3 4.49Å; F565-W579 HydrophobicContact CG-CZ2 4.38Å; F565-W579 VanDerWaalsContact N-NE1 3.15Å; W568-W579 HydrophobicContact CD2-CB 3.63Å; W568-W579 HydrophobicContact CD2-CG 4.24Å; W568-W579 VanDerWaalsContact CE2-N 3.26Å; W568-W579 HydrophobicContact CE3-CB 3.78Å; W568-W579 HydrophobicContact CE3-CG 4.21Å; W568-W579 HydrophobicContact CG-CB 4.19Å; W568-W579 HydrophobicContact CH2-CB 4.02Å; W568-W579 HydrophobicContact CZ2-CB 3.88Å; W568-W579 VanDerWaalsContact CZ2-N 3.33Å; W568-W579 HydrophobicContact CZ3-CB 3.98Å; W579-F581 HydrophobicContact CD2-CB 4.04Å; W579-F581 AromaticContact CE2-CD2 3.72Å; W579-F581 HydrophobicContact CE3-CB 4.18Å; W579-F581 HydrophobicContact CH2-CB 3.9Å; W579-F581 HydrophobicContact CZ2-CB 3.7Å; W579-F581 AromaticContact CZ2-CD2 3.61Å; W579-F581 HydrophobicContact CZ2-CD2 3.61Å; W579-F581 HydrophobicContact CZ2-CG 4.13Å; W579-F581 HydrophobicContact CZ3-CB 4.13Å; W579-F581 AromaticContact NE1-CD2 3.7Å; W579-F581 PolarHBondContact O-N 2.85Å; W579-S582 VanDerWaalsContact O-CB 3.29Å; W579-S582 WeakPolarHBondContact O-CB 3.46Å; W579-S582 PolarHBondContact O-N 3.04Å; W579-S582 PolarHBondContact O-OG 3.29Å; W579-L606 HydrophobicContact CH2-CB 4.28Å; W579-L607 HydrophobicContact CH2-CD2 3.72Å; W579-L607 HydrophobicContact CH2-CG 4.27Å; W579-L607 HydrophobicContact CZ3-CD2 3.85Å; W579-H610 HydrophobicContact CE3-CB 4.21Å; W579-H610 HydrophobicContact CZ3-CB 4.33Å
580	K	83.8	Confident	80	Confident	119 Å²	119	62.9 Å²	62.9	52%	0.517	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.4	-34.3	179.2	175.7	168.2	175.8	167.1	0	114.2	Y556	Y556-K580 WeakPolarHBondContact OH-CE 3.19Å; Y556-K580 PolarHBondContact OH-NZ 3.33Å
581	F	89.2	Confident	81.1	Confident	4 Å²	4	59.5 Å²	59.5	2%	0.018	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107	16.7	-177.3	-58.4	-64.2	0	0	0	113.5	L535 Y556 V561 W579 S583 V584 L607 S611	L535-F581 HydrophobicContact CD1-CD1 3.92Å; L535-F581 HydrophobicContact CD1-CE1 3.68Å; L535-F581 HydrophobicContact CD1-CZ 4.33Å; L535-F581 HydrophobicContact CD2-CB 4.49Å; L535-F581 HydrophobicContact CD2-CD1 4.13Å; L535-F581 HydrophobicContact CD2-CG 4.29Å; Y556-F581 HydrophobicContact CD1-CZ 4.39Å; Y556-F581 AromaticContact CD2-CE1 3.91Å; Y556-F581 HydrophobicContact CD2-CE1 3.91Å; Y556-F581 AromaticContact CD2-CZ 3.84Å; Y556-F581 HydrophobicContact CD2-CZ 3.84Å; Y556-F581 HydrophobicContact CE1-CZ 4.39Å; Y556-F581 AromaticContact CE2-CE1 3.71Å; Y556-F581 HydrophobicContact CE2-CE1 3.71Å; Y556-F581 AromaticContact CE2-CZ 3.85Å; Y556-F581 HydrophobicContact CE2-CZ 3.85Å; Y556-F581 HydrophobicContact CG-CZ 4.12Å; V561-F581 HydrophobicContact CB-CE2 4.44Å; V561-F581 HydrophobicContact CG1-CD2 4.07Å; V561-F581 HydrophobicContact CG1-CE2 4.39Å; V561-F581 HydrophobicContact CG2-CE2 4.28Å; V561-F581 HydrophobicContact CG2-CZ 4.46Å; W579-F581 HydrophobicContact CD2-CB 4.04Å; W579-F581 AromaticContact CE2-CD2 3.72Å; W579-F581 HydrophobicContact CE3-CB 4.18Å; W579-F581 HydrophobicContact CH2-CB 3.9Å; W579-F581 HydrophobicContact CZ2-CB 3.7Å; W579-F581 AromaticContact CZ2-CD2 3.61Å; W579-F581 HydrophobicContact CZ2-CD2 3.61Å; W579-F581 HydrophobicContact CZ2-CG 4.13Å; W579-F581 HydrophobicContact CZ3-CB 4.13Å; W579-F581 AromaticContact NE1-CD2 3.7Å; W579-F581 PolarHBondContact O-N 2.85Å; F581-S583 PolarHBondContact O-N 3.46Å; F581-V584 HydrophobicContact CB-CG2 3.79Å; F581-V584 HydrophobicContact CD1-CG2 4.05Å; F581-V584 HydrophobicContact CG-CG2 4.42Å; F581-V584 VanDerWaalsContact O-CB 3.29Å; F581-V584 WeakPolarHBondContact O-CB 3.36Å; F581-V584 VanDerWaalsContact O-CG2 3.29Å; F581-V584 WeakPolarHBondContact O-CG2 3.26Å; F581-V584 PolarHBondContact O-N 3.2Å; F581-L607 HydrophobicContact CB-CD2 4.32Å; F581-S611 WeakPolarHBondContact O-CB 3.47Å
582	S	87.9	Confident	82.3	Confident	33 Å²	33	56.9 Å²	56.9	23%	0.231	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-27.6	-178.7	57.4	0	0	0	0	114.2	W579 V584 S611 K612	W579-S582 VanDerWaalsContact O-CB 3.29Å; W579-S582 WeakPolarHBondContact O-CB 3.46Å; W579-S582 PolarHBondContact O-N 3.04Å; W579-S582 PolarHBondContact O-OG 3.29Å; S582-V584 VanDerWaalsContact C-N 3.33Å; S582-S611 VanDerWaalsContact O-CA 3.26Å; S582-S611 WeakPolarHBondContact O-CA 3.46Å; S582-S611 WeakPolarHBondContact O-CB 3.43Å; S582-K612 PolarHBondContact O-N 3.46Å
583	S	87.4	Confident	83.7	Confident	55 Å²	55	54.3 Å²	54.3	39%	0.385	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-14.8	174.6	29.2	0	0	0	0	113.9	E533 F581 R585	E533-S583 WeakPolarHBondContact OE2-CA 3.29Å; E533-S583 WeakPolarHBondContact OE2-CB 3.31Å; E533-S583 PolarHBondContact OE2-OG 3.04Å; F581-S583 PolarHBondContact O-N 3.46Å; S583-R585 WeakPolarHBondContact O-CG 3.37Å; S583-R585 PolarHBondContact O-N 3.28Å
584	V	90.4	Very high	85.4	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.7	121.3	-175.8	172.7	0	0	0	0	111.8	E533 L535 F581 S582 V586 L607 S611 K612 L613	E533-V584 VanDerWaalsContact CD-CG2 3.42Å; E533-V584 HydrophobicContact CG-CG2 3.99Å; E533-V584 WeakPolarHBondContact OE2-CG2 3.34Å; E533-V584 PolarHBondContact OE2-N 3.1Å; L535-V584 HydrophobicContact CB-CB 4.38Å; L535-V584 HydrophobicContact CB-CG1 3.53Å; L535-V584 HydrophobicContact CB-CG2 3.83Å; L535-V584 HydrophobicContact CD2-CG1 4.19Å; L535-V584 HydrophobicContact CD2-CG2 4.15Å; F581-V584 HydrophobicContact CB-CG2 3.79Å; F581-V584 HydrophobicContact CD1-CG2 4.05Å; F581-V584 HydrophobicContact CG-CG2 4.42Å; F581-V584 VanDerWaalsContact O-CB 3.29Å; F581-V584 WeakPolarHBondContact O-CB 3.36Å; F581-V584 VanDerWaalsContact O-CG2 3.29Å; F581-V584 WeakPolarHBondContact O-CG2 3.26Å; F581-V584 PolarHBondContact O-N 3.2Å; S582-V584 VanDerWaalsContact C-N 3.33Å; V584-V586 WeakPolarHBondContact CG1-O 3.25Å; V584-L607 HydrophobicContact CB-CD2 4.32Å; V584-L607 HydrophobicContact CG1-CD2 4.32Å; V584-S611 PolarHBondContact O-OG 3.03Å; V584-K612 CarbonylContact O-C 3.59Å; V584-K612 PolarHBondContact O-N 2.88Å; V584-L613 PolarHBondContact O-N 2.68Å
585	R	91	Very high	87	Confident	68 Å²	68	41.1 Å²	41.1	26%	0.257	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	-27.1	176.3	-55.1	-169.4	71.4	-174.8	-0.6	112.7	A531 E533 S583 K612 S614 K615	A531-R585 WeakPolarHBondContact O-CD 3.48Å; A531-R585 PolarHBondContact O-NH1 3.4Å; A531-R585 VanDerWaalsContact O-NH1 3.15Å; E533-R585 PolarHBondContact O-N 3.08Å; S583-R585 WeakPolarHBondContact O-CG 3.37Å; S583-R585 PolarHBondContact O-N 3.28Å; R585-K612 HydrophobicContact CG-CB 4.1Å; R585-S614 PolarHBondContact O-N 3.17Å; R585-K615 PolarHBondContact O-N 3.39Å
586	V	92.2	Very high	88.5	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	126.7	179.5	-172.6	0	0	0	0	110.7	W376 F489 I532 E533 V534 L535 V584 V588 K615 I617	W376-V586 HydrophobicContact CH2-CG2 4Å; W376-V586 HydrophobicContact CZ3-CG2 3.62Å; F489-V586 HydrophobicContact CE1-CG1 4.41Å; F489-V586 HydrophobicContact CE1-CG2 4.06Å; F489-V586 HydrophobicContact CE2-CG1 4.11Å; F489-V586 HydrophobicContact CZ-CB 4.41Å; F489-V586 HydrophobicContact CZ-CG1 3.7Å; F489-V586 HydrophobicContact CZ-CG2 4.14Å; I532-V586 HydrophobicContact CG2-CG2 4.07Å; E533-V586 PolarHBondContact O-N 2.88Å; V534-V586 HydrophobicContact CB-CB 4.45Å; V534-V586 HydrophobicContact CG1-CB 4.21Å; V534-V586 HydrophobicContact CG1-CG1 4.29Å; V534-V586 HydrophobicContact CG2-CB 4.23Å; V534-V586 HydrophobicContact CG2-CG2 4.32Å; L535-V586 PolarHBondContact N-O 3.03Å; V584-V586 WeakPolarHBondContact CG1-O 3.25Å; V586-V588 HydrophobicContact CG1-CG2 4.02Å; V586-K615 WeakPolarHBondContact CA-O 3.47Å; V586-K615 HydrophobicContact CG1-CB 4.44Å; V586-K615 HydrophobicContact CG2-CB 4.3Å; V586-I617 HydrophobicContact CG1-CD1 4.19Å
587	L	94.8	Very high	89.5	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	124.1	163.9	177	61.8	0	0	0	109.7	L535 T537 V589 L607 L613 K615 L616 I617	L535-L587 HydrophobicContact CB-CD1 4.5Å; L535-L587 HydrophobicContact CD2-CD1 4.17Å; L535-L587 HydrophobicContact CG-CD1 4.08Å; T537-L587 HydrophobicContact CG2-CD1 3.63Å; L587-V589 HydrophobicContact CD1-CG2 4.24Å; L587-V589 HydrophobicContact CD2-CG2 4.07Å; L587-V589 HydrophobicContact CG-CG2 3.89Å; L587-L607 HydrophobicContact CB-CD1 4.43Å; L587-L607 HydrophobicContact CD1-CD1 4.11Å; L587-L607 HydrophobicContact CD2-CD1 3.86Å; L587-L607 HydrophobicContact CG-CD1 4.36Å; L587-L613 HydrophobicContact CB-CD1 3.82Å; L587-K615 PolarHBondContact N-O 3.47Å; L587-L616 HydrophobicContact CB-CD1 4.32Å; L587-L616 HydrophobicContact CD2-CD1 3.97Å; L587-L616 HydrophobicContact CG-CD1 4.17Å; L587-L616 WeakPolarHBondContact O-CA 3.45Å; L587-I617 PolarHBondContact O-N 3.09Å
588	V	95.9	Very high	90	Very high	2 Å²	2	24.1 Å²	24.1	1%	0.012	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	132.6	168.1	-172.4	0	0	0	0	109	V485 F489 V534 L535 L536 T537 V586 I617 L619	V485-V588 HydrophobicContact CG1-CG1 4.1Å; V485-V588 HydrophobicContact CG1-CG2 4.09Å; F489-V588 HydrophobicContact CE2-CG2 4.25Å; V534-V588 HydrophobicContact CG1-CG2 4.05Å; L535-V588 PolarHBondContact O-N 3.34Å; L536-V588 HydrophobicContact CD2-CB 3.66Å; L536-V588 HydrophobicContact CD2-CG1 4.14Å; L536-V588 HydrophobicContact CD2-CG2 3.7Å; T537-V588 WeakPolarHBondContact CA-O 3.25Å; T537-V588 PolarHBondContact N-O 2.98Å; T537-V588 PolarHBondContact OG1-O 3.33Å; V586-V588 HydrophobicContact CG1-CG2 4.02Å; V588-I617 CarbonylContact C-O 3.59Å; V588-I617 WeakPolarHBondContact CA-O 3.36Å; V588-I617 HydrophobicContact CG1-CB 4.46Å; V588-I617 HydrophobicContact CG1-CG2 4.45Å; V588-I617 HydrophobicContact CG2-CB 4.37Å; V588-I617 HydrophobicContact CG2-CD1 4.35Å; V588-L619 HydrophobicContact CG1-CD1 4.17Å; V588-L619 HydrophobicContact CG1-CG 4.42Å
589	V	95.8	Very high	90.2	Very high	1 Å²	1	19.8 Å²	19.8	1%	0.006	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	106.3	177.7	-168.3	0	0	0	0	109.5	L558 L587 V595 F600 L616 I617 I618 L619	L558-V589 HydrophobicContact CD1-CG1 4.31Å; L587-V589 HydrophobicContact CD1-CG2 4.24Å; L587-V589 HydrophobicContact CD2-CG2 4.07Å; L587-V589 HydrophobicContact CG-CG2 3.89Å; V589-V595 HydrophobicContact CG1-CG2 3.94Å; V589-F600 HydrophobicContact CG2-CE2 4.19Å; V589-L616 HydrophobicContact CG2-CD1 4.47Å; V589-I617 PolarHBondContact N-O 2.69Å; V589-I618 HydrophobicContact CB-CG1 4.48Å; V589-L619 PolarHBondContact O-N 3.09Å
590	D	93.9	Very high	90.5	Very high	17 Å²	17	19.5 Å²	19.5	9%	0.091	11%	0.106	C	C	.	.	S	Bend	trans	-92.9	162.1	175	-151.7	-13.3	0	0	0	111.9	T482 T537 P539 L547 G592 L619	T482-D590 WeakPolarHBondContact CB-OD2 3.35Å; T482-D590 VanDerWaalsContact CG2-OD2 3.29Å; T482-D590 WeakPolarHBondContact CG2-OD2 3.38Å; T482-D590 PolarHBondContact OG1-OD2 3.04Å; T537-D590 PolarHBondContact O-N 2.72Å; P539-D590 WeakPolarHBondContact CD-O 3.28Å; L547-D590 HydrophobicContact CD1-CB 4.49Å; L547-D590 HydrophobicContact CD2-CB 4.17Å; D590-G592 PolarHBondContact O-N 2.94Å; D590-L619 HydrophobicContact CB-CB 4.47Å
591	E	92.1	Very high	90.9	Very high	35 Å²	35	15.5 Å²	15.5	16%	0.164	9%	0.089	C	C	.	.	S	Bend	trans	50.9	36.1	-170.3	-69.6	-87.3	178.2	0	0	112.6	P539 A543 S593 L594 L619 R918	P539-E591 HydrophobicContact CG-CB 3.9Å; A543-E591 HydrophobicContact CB-CG 4.42Å; E591-S593 PolarHBondContact O-N 3.31Å; E591-L594 HydrophobicContact CB-CD1 4.05Å; E591-L594 HydrophobicContact CB-CG 4.36Å; E591-L594 WeakPolarHBondContact O-CG 3.39Å; E591-L594 PolarHBondContact O-N 3.45Å; E591-L619 PolarHBondContact N-O 2.72Å; E591-R918 VanDerWaalsContact CD-NH2 3.31Å; E591-R918 IonicContact OE1-CZ 2.67Å; E591-R918 IonicContact OE1-NH1 2.83Å; E591-R918 PolarHBondContact OE1-NH1 3.15Å; E591-R918 IonicContact OE1-NH2 3.65Å; E591-R918 PolarHBondContact OE1-NH2 3.03Å; E591-R918 IonicContact OE2-CZ 3.16Å; E591-R918 IonicContact OE2-NH1 3.66Å; E591-R918 IonicContact OE2-NH2 3.57Å; E591-R918 PolarHBondContact OE2-NH2 3.25Å
592	G	92	Very high	90.9	Very high	1 Å²	1	15.3 Å²	15.3	1%	0.01	9%	0.088	C	C	.	.	G	3₁₀ helix	trans	-59.2	-13.3	-173.7	0	0	0	0	0	115.9	D590 L594 V595 L619	D590-G592 PolarHBondContact O-N 2.94Å; G592-L594 PolarHBondContact O-N 3.46Å; G592-V595 PolarHBondContact O-N 3.26Å; G592-L619 PolarHBondContact N-O 2.86Å
593	S	91.4	Very high	90.9	Very high	12 Å²	12	13.8 Å²	13.8	8%	0.084	8%	0.077	C	C	.	.	G	3₁₀ helix	trans	-61.8	-31.5	169.9	37.2	0	0	0	0	112.5	E591 P626 S627	E591-S593 PolarHBondContact O-N 3.31Å; S593-P626 CarbonylContact O-C 3.24Å; S593-P626 VanDerWaalsContact O-CA 3.28Å; S593-P626 WeakPolarHBondContact O-CA 3.48Å; S593-S627 PolarHBondContact O-N 3.43Å
594	L	89.2	Confident	91.2	Very high	22 Å²	22	11.1 Å²	11.1	12%	0.115	6%	0.059	C	C	.	.	G	3₁₀ helix	trans	-87.9	-10.6	-176	-40.5	178.2	0	0	0	113.2	P539 E591 G592 S627 Q890	P539-L594 HydrophobicContact CB-CB 4.08Å; P539-L594 HydrophobicContact CG-CB 3.79Å; P539-L594 HydrophobicContact CG-CD1 3.95Å; P539-L594 HydrophobicContact CG-CG 4.25Å; E591-L594 HydrophobicContact CB-CD1 4.05Å; E591-L594 HydrophobicContact CB-CG 4.36Å; E591-L594 WeakPolarHBondContact O-CG 3.39Å; E591-L594 PolarHBondContact O-N 3.45Å; G592-L594 PolarHBondContact O-N 3.46Å; L594-S627 VanDerWaalsContact O-CB 3.25Å; L594-S627 WeakPolarHBondContact O-CB 3.35Å; L594-Q890 HydrophobicContact CD1-CB 3.71Å; L594-Q890 HydrophobicContact CD2-CB 3.81Å; L594-Q890 HydrophobicContact CD2-CG 4.08Å; L594-Q890 HydrophobicContact CG-CB 4.44Å
595	V	90	Very high	91.2	Very high	3 Å²	3	12.5 Å²	12.5	2%	0.018	7%	0.066	C	C	.	.			trans	-79.6	126.6	-172.8	178.5	0	0	0	0	110.7	P539 L558 V589 G592 I599 F600 L633	P539-V595 HydrophobicContact CB-CG2 3.91Å; P539-V595 HydrophobicContact CG-CG2 4.12Å; L558-V595 HydrophobicContact CD1-CB 4.47Å; L558-V595 HydrophobicContact CD1-CG1 3.65Å; L558-V595 HydrophobicContact CD1-CG2 3.92Å; V589-V595 HydrophobicContact CG1-CG2 3.94Å; G592-V595 PolarHBondContact O-N 3.26Å; V595-I599 HydrophobicContact CG1-CG2 4.2Å; V595-F600 HydrophobicContact CG1-CB 3.86Å; V595-F600 HydrophobicContact CG1-CD2 4.23Å; V595-F600 HydrophobicContact CG1-CG 4.37Å; V595-L633 HydrophobicContact CB-CD2 3.95Å; V595-L633 HydrophobicContact CG1-CD2 3.57Å
596	S	89.3	Confident	91.2	Very high	6 Å²	6	9.6 Å²	9.6	4%	0.042	6%	0.056	C	C	.	.			trans	-85.4	158.1	177.7	78.6	0	0	0	0	112.7	G598 F600 E629	S596-G598 VanDerWaalsContact C-N 3.27Å; S596-G598 PolarHBondContact O-N 2.72Å; S596-F600 WeakPolarHBondContact O-CB 3.44Å; S596-F600 PolarHBondContact O-N 2.81Å; S596-E629 WeakPolarHBondContact CB-OE2 3.41Å; S596-E629 PolarHBondContact OG-OE2 2.97Å
597	V	90.8	Very high	91.1	Very high	1 Å²	1	9.6 Å²	9.6	1%	0.006	6%	0.056	C	C	.	.	H	α-helix	trans	-66.8	-27.3	-179.7	-63.7	0	0	0	0	112.9	T311 L356 A359 I363 K601 L633	T311-V597 HydrophobicContact CG2-CG2 4.34Å; L356-V597 HydrophobicContact CD2-CG2 4.32Å; A359-V597 HydrophobicContact CB-CB 4.17Å; A359-V597 HydrophobicContact CB-CG2 3.99Å; I363-V597 HydrophobicContact CD1-CB 3.81Å; I363-V597 HydrophobicContact CD1-CG1 4.15Å; I363-V597 WeakPolarHBondContact CD1-O 3.49Å; V597-K601 VanDerWaalsContact O-CB 3.29Å; V597-K601 WeakPolarHBondContact O-CB 3.43Å; V597-K601 PolarHBondContact O-N 3.01Å; V597-L633 HydrophobicContact CG1-CB 4.44Å
598	G	86.8	Confident	90.9	Very high	23 Å²	23	10.5 Å²	10.5	24%	0.237	6%	0.062	C	C	.	.	H	α-helix	trans	-64.5	-59.7	178.6	0	0	0	0	0	112.1	S596 F600 K601 S602	S596-G598 VanDerWaalsContact C-N 3.27Å; S596-G598 PolarHBondContact O-N 2.72Å; G598-F600 VanDerWaalsContact C-N 3.32Å; G598-F600 PolarHBondContact O-N 3.26Å; G598-K601 PolarHBondContact O-N 3.11Å; G598-S602 PolarHBondContact O-N 3.28Å; G598-S602 VanDerWaalsContact O-N 3.15Å
599	I	84.3	Confident	90.6	Very high	8 Å²	8	16.3 Å²	16.3	4%	0.041	9%	0.089	C	C	.	.	H	α-helix	trans	-63.8	-37.2	178.9	-177.8	53.9	0	0	0	112.3	F41 L558 N562 V595 S602 V603	F41-I599 HydrophobicContact CD1-CB 4.18Å; F41-I599 HydrophobicContact CE1-CB 3.76Å; F41-I599 HydrophobicContact CE1-CD1 3.52Å; F41-I599 HydrophobicContact CE1-CG1 3.76Å; F41-I599 HydrophobicContact CE2-CB 4.2Å; F41-I599 HydrophobicContact CE2-CD1 4.47Å; F41-I599 HydrophobicContact CE2-CG1 4.01Å; F41-I599 HydrophobicContact CE2-CG2 4.49Å; F41-I599 HydrophobicContact CZ-CB 3.73Å; F41-I599 HydrophobicContact CZ-CD1 3.38Å; F41-I599 HydrophobicContact CZ-CG1 3.35Å; F41-I599 HydrophobicContact CZ-CG2 4.49Å; L558-I599 HydrophobicContact CB-CD1 4.11Å; L558-I599 HydrophobicContact CB-CG1 3.55Å; L558-I599 HydrophobicContact CD1-CG1 4.3Å; L558-I599 HydrophobicContact CD1-CG2 4.41Å; N562-I599 HydrophobicContact CB-CD1 4.04Å; N562-I599 WeakPolarHBondContact ND2-CD1 3.43Å; V595-I599 HydrophobicContact CG1-CG2 4.2Å; I599-S602 PolarHBondContact O-N 2.8Å; I599-V603 HydrophobicContact CD1-CG2 3.68Å; I599-V603 HydrophobicContact CG1-CG2 4.38Å; I599-V603 PolarHBondContact O-N 3.17Å
600	F	92.7	Very high	90.2	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-67.6	-39.4	-179.7	-168.8	-108.9	0	0	0	112.3	I363 I367 V589 V595 S596 G598 S602 L604 L616 I618 L633	I363-F600 HydrophobicContact CD1-CB 4.27Å; I363-F600 HydrophobicContact CD1-CD1 3.81Å; I363-F600 HydrophobicContact CG1-CD1 3.81Å; I363-F600 HydrophobicContact CG1-CE1 4.47Å; I363-F600 HydrophobicContact CG2-CD1 3.93Å; I363-F600 HydrophobicContact CG2-CE1 3.89Å; I367-F600 HydrophobicContact CD1-CE1 4.24Å; V589-F600 HydrophobicContact CG2-CE2 4.19Å; V595-F600 HydrophobicContact CG1-CB 3.86Å; V595-F600 HydrophobicContact CG1-CD2 4.23Å; V595-F600 HydrophobicContact CG1-CG 4.37Å; S596-F600 WeakPolarHBondContact O-CB 3.44Å; S596-F600 PolarHBondContact O-N 2.81Å; G598-F600 VanDerWaalsContact C-N 3.32Å; G598-F600 PolarHBondContact O-N 3.26Å; F600-S602 VanDerWaalsContact C-N 3.34Å; F600-S602 PolarHBondContact O-N 3.19Å; F600-L604 HydrophobicContact CE1-CD2 3.83Å; F600-L604 HydrophobicContact CZ-CD2 4.11Å; F600-L604 WeakPolarHBondContact O-CB 3.26Å; F600-L604 PolarHBondContact O-N 3.27Å; F600-L616 HydrophobicContact CE2-CD1 4.49Å; F600-L616 HydrophobicContact CZ-CD1 4.28Å; F600-L616 HydrophobicContact CZ-CD2 4.13Å; F600-I618 HydrophobicContact CE2-CD1 4.29Å; F600-I618 HydrophobicContact CZ-CD1 3.83Å; F600-L633 HydrophobicContact CB-CD2 3.64Å; F600-L633 HydrophobicContact CD1-CD1 3.62Å; F600-L633 HydrophobicContact CD1-CD2 3.73Å; F600-L633 HydrophobicContact CD1-CG 4.3Å; F600-L633 HydrophobicContact CD2-CD2 4.01Å; F600-L633 HydrophobicContact CE1-CD1 4.08Å; F600-L633 HydrophobicContact CE1-CD2 4.42Å; F600-L633 HydrophobicContact CG-CD1 4.26Å; F600-L633 HydrophobicContact CG-CD2 3.5Å
601	K	92.1	Very high	90	Very high	34 Å²	34	20.4 Å²	20.4	15%	0.148	11%	0.109	C	C	.	.	H	α-helix	trans	-55.2	-50.7	169.3	169.6	-100.6	173.3	179.8	0	110.9	E45 A359 A362 I363 V597 G598 N605	E45-K601 IonicContact OE1-NZ 2.73Å; E45-K601 PolarHBondContact OE1-NZ 3.04Å; E45-K601 IonicContact OE2-NZ 3.6Å; E45-K601 PolarHBondContact OE2-NZ 3.18Å; A359-K601 HydrophobicContact CB-CB 4.2Å; A362-K601 HydrophobicContact CB-CG 3.72Å; I363-K601 HydrophobicContact CD1-CB 4.19Å; I363-K601 HydrophobicContact CG1-CB 3.95Å; V597-K601 VanDerWaalsContact O-CB 3.29Å; V597-K601 WeakPolarHBondContact O-CB 3.43Å; V597-K601 PolarHBondContact O-N 3.01Å; G598-K601 PolarHBondContact O-N 3.11Å; K601-N605 WeakPolarHBondContact O-CB 3.36Å; K601-N605 PolarHBondContact O-N 3.22Å; K601-N605 PolarHBondContact O-OD1 2.92Å
602	S	87.9	Confident	89.9	Confident	1 Å²	1	25.5 Å²	25.5	1%	0.007	13%	0.131	C	C	.	.	H	α-helix	trans	-65.4	-50.7	-171.6	-168.2	0	0	0	0	111.3	D43 E45 N562 G598 I599 F600 L606	D43-S602 PolarHBondContact OD1-OG 3.44Å; E45-S602 PolarHBondContact OE2-OG 3.27Å; N562-S602 WeakPolarHBondContact ND2-CB 3.49Å; N562-S602 PolarHBondContact ND2-OG 3.34Å; N562-S602 PolarHBondContact OD1-OG 3.28Å; G598-S602 PolarHBondContact O-N 3.28Å; G598-S602 VanDerWaalsContact O-N 3.15Å; I599-S602 PolarHBondContact O-N 2.8Å; F600-S602 VanDerWaalsContact C-N 3.34Å; F600-S602 PolarHBondContact O-N 3.19Å; S602-L606 VanDerWaalsContact O-CG 3.32Å; S602-L606 WeakPolarHBondContact O-CG 3.32Å; S602-L606 PolarHBondContact O-N 2.87Å; S602-L606 VanDerWaalsContact O-N 3.13Å
603	V	89.8	Confident	89.9	Confident	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-67.4	-38.9	178.5	171.6	0	0	0	0	113	L558 V561 N562 I599 L607	L558-V603 HydrophobicContact CB-CG2 4.22Å; L558-V603 HydrophobicContact CD2-CB 4.28Å; L558-V603 HydrophobicContact CD2-CG1 3.92Å; L558-V603 HydrophobicContact CD2-CG2 4.33Å; L558-V603 VanDerWaalsContact O-CG2 3.3Å; L558-V603 WeakPolarHBondContact O-CG2 3.25Å; V561-V603 HydrophobicContact CB-CG1 4.47Å; V561-V603 HydrophobicContact CB-CG2 4.48Å; V561-V603 HydrophobicContact CG1-CG1 4.03Å; N562-V603 HydrophobicContact CB-CG2 3.82Å; I599-V603 HydrophobicContact CD1-CG2 3.68Å; I599-V603 HydrophobicContact CG1-CG2 4.38Å; I599-V603 PolarHBondContact O-N 3.17Å; V603-L607 HydrophobicContact CG1-CD1 3.75Å; V603-L607 WeakPolarHBondContact O-CG 3.27Å; V603-L607 PolarHBondContact O-N 3.02Å; V603-L607 VanDerWaalsContact O-N 3.15Å
604	L	93.1	Very high	89.9	Confident	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-66.5	-43.5	-179.8	-177.9	61.6	0	0	0	111.4	I367 F600 L607 C608 L613 L616	I367-L604 HydrophobicContact CG1-CD2 3.9Å; F600-L604 HydrophobicContact CE1-CD2 3.83Å; F600-L604 HydrophobicContact CZ-CD2 4.11Å; F600-L604 WeakPolarHBondContact O-CB 3.26Å; F600-L604 PolarHBondContact O-N 3.27Å; L604-L607 PolarHBondContact O-N 3.03Å; L604-C608 WeakPolarHBondContact O-CB 3.44Å; L604-C608 PolarHBondContact O-N 3.22Å; L604-C608 PolarHBondContact O-SG 2.71Å; L604-C608 VanDerWaalsContact O-SG 3.38Å; L604-L613 HydrophobicContact CD1-CD2 3.92Å; L604-L616 HydrophobicContact CD1-CD2 4.31Å
605	N	91.1	Very high	90	Very high	29 Å²	29	25.2 Å²	25.2	16%	0.155	13%	0.13	C	C	.	.	H	α-helix	trans	-61.3	-48.7	175.8	-88.4	54.3	0	0	0	111.7	S366 K601 L607 C608 E609	S366-N605 PolarHBondContact OG-OD1 2.86Å; K601-N605 WeakPolarHBondContact O-CB 3.36Å; K601-N605 PolarHBondContact O-N 3.22Å; K601-N605 PolarHBondContact O-OD1 2.92Å; N605-L607 VanDerWaalsContact C-N 3.28Å; N605-L607 PolarHBondContact O-N 2.89Å; N605-C608 PolarHBondContact O-N 3.23Å; N605-C608 VanDerWaalsContact O-N 3.09Å; N605-E609 WeakPolarHBondContact CB-OE1 3.45Å; N605-E609 PolarHBondContact ND2-OE1 3.27Å; N605-E609 VanDerWaalsContact O-CB 3.3Å; N605-E609 WeakPolarHBondContact O-CB 3.49Å; N605-E609 VanDerWaalsContact O-CG 3.29Å; N605-E609 WeakPolarHBondContact O-CG 3.42Å; N605-E609 PolarHBondContact O-N 3.04Å
606	L	89.8	Confident	90.3	Very high	7 Å²	7	25.1 Å²	25.1	4%	0.037	13%	0.13	C	C	.	.	H	α-helix	trans	-55.8	-40.3	178.1	-72.6	179.4	0	0	0	113.4	N562 F565 Y566 W579 S602 H610	N562-L606 WeakPolarHBondContact OD1-CD1 3.15Å; F565-L606 HydrophobicContact CB-CD1 3.73Å; F565-L606 HydrophobicContact CD1-CD1 3.91Å; F565-L606 HydrophobicContact CD1-CD2 3.35Å; F565-L606 HydrophobicContact CD1-CG 4.25Å; F565-L606 HydrophobicContact CD2-CD2 4.07Å; F565-L606 HydrophobicContact CE1-CD2 3.42Å; F565-L606 VanDerWaalsContact CE1-CD2 3.42Å; F565-L606 HydrophobicContact CE2-CD2 4.12Å; F565-L606 HydrophobicContact CG-CD1 3.83Å; F565-L606 HydrophobicContact CG-CD2 3.7Å; F565-L606 HydrophobicContact CG-CG 4.29Å; F565-L606 HydrophobicContact CZ-CD2 3.81Å; Y566-L606 HydrophobicContact CD2-CD1 4.23Å; Y566-L606 HydrophobicContact CE2-CD1 3.75Å; Y566-L606 HydrophobicContact CE2-CD2 4.27Å; Y566-L606 HydrophobicContact CE2-CG 4.44Å; W579-L606 HydrophobicContact CH2-CB 4.28Å; S602-L606 VanDerWaalsContact O-CG 3.32Å; S602-L606 WeakPolarHBondContact O-CG 3.32Å; S602-L606 PolarHBondContact O-N 2.87Å; S602-L606 VanDerWaalsContact O-N 3.13Å; L606-H610 WeakPolarHBondContact O-CA 3.3Å; L606-H610 VanDerWaalsContact O-CB 3.3Å; L606-H610 WeakPolarHBondContact O-CB 3.25Å; L606-H610 PolarHBondContact O-N 3.14Å
607	L	91.2	Very high	90.6	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-77.8	-32.5	177.6	-66.9	165.5	0	0	0	112.3	L535 W579 F581 V584 L587 V603 L604 N605 E609 S611 L613	L535-L607 HydrophobicContact CD2-CD1 3.98Å; L535-L607 HydrophobicContact CD2-CD2 4.12Å; W579-L607 HydrophobicContact CH2-CD2 3.72Å; W579-L607 HydrophobicContact CH2-CG 4.27Å; W579-L607 HydrophobicContact CZ3-CD2 3.85Å; F581-L607 HydrophobicContact CB-CD2 4.32Å; V584-L607 HydrophobicContact CB-CD2 4.32Å; V584-L607 HydrophobicContact CG1-CD2 4.32Å; L587-L607 HydrophobicContact CB-CD1 4.43Å; L587-L607 HydrophobicContact CD1-CD1 4.11Å; L587-L607 HydrophobicContact CD2-CD1 3.86Å; L587-L607 HydrophobicContact CG-CD1 4.36Å; V603-L607 HydrophobicContact CG1-CD1 3.75Å; V603-L607 WeakPolarHBondContact O-CG 3.27Å; V603-L607 PolarHBondContact O-N 3.02Å; V603-L607 VanDerWaalsContact O-N 3.15Å; L604-L607 PolarHBondContact O-N 3.03Å; N605-L607 VanDerWaalsContact C-N 3.28Å; N605-L607 PolarHBondContact O-N 2.89Å; L607-E609 VanDerWaalsContact C-N 3.32Å; L607-S611 CarbonylContact O-C 3.44Å; L607-S611 PolarHBondContact O-N 3.43Å; L607-S611 VanDerWaalsContact O-N 3.15Å; L607-S611 PolarHBondContact O-OG 3.01Å; L607-S611 VanDerWaalsContact O-OG 3.09Å; L607-L613 HydrophobicContact CB-CB 4.34Å; L607-L613 HydrophobicContact CB-CD2 3.91Å; L607-L613 WeakPolarHBondContact O-CB 3.34Å
608	C	89.8	Confident	90.9	Very high	18 Å²	18	24.9 Å²	24.9	12%	0.122	13%	0.128	C	C	.	.	H	α-helix	trans	-68.7	-28.5	173	-79.4	0	0	0	0	113.7	R373 L604 N605	R373-C608 PolarHBondContact NH2-O 3.35Å; L604-C608 WeakPolarHBondContact O-CB 3.44Å; L604-C608 PolarHBondContact O-N 3.22Å; L604-C608 PolarHBondContact O-SG 2.71Å; L604-C608 VanDerWaalsContact O-SG 3.38Å; N605-C608 PolarHBondContact O-N 3.23Å; N605-C608 VanDerWaalsContact O-N 3.09Å
609	E	88.9	Confident	91.3	Very high	124 Å²	124	23.9 Å²	23.9	58%	0.579	12%	0.117	S	C	*	.	H	α-helix	trans	-100.5	-33.4	-174.7	-66.4	168.6	-142.5	0	0	112.9	N605 L607	N605-E609 WeakPolarHBondContact CB-OE1 3.45Å; N605-E609 PolarHBondContact ND2-OE1 3.27Å; N605-E609 VanDerWaalsContact O-CB 3.3Å; N605-E609 WeakPolarHBondContact O-CB 3.49Å; N605-E609 VanDerWaalsContact O-CG 3.29Å; N605-E609 WeakPolarHBondContact O-CG 3.42Å; N605-E609 PolarHBondContact O-N 3.04Å; L607-E609 VanDerWaalsContact C-N 3.32Å
610	H	88.6	Confident	91.8	Very high	86 Å²	86	23.6 Å²	23.6	40%	0.398	12%	0.116	S	C	.	.	H	α-helix	trans	-125	7.2	-173.7	-56.2	-72	0	0	0	115.4	F565 W579 L606	F565-H610 HydrophobicContact CD2-CB 4.48Å; F565-H610 HydrophobicContact CE2-CB 3.85Å; F565-H610 AromaticContact CE2-CD2 3.3Å; F565-H610 WeakPolarHBondContact CE2-CD2 3.43Å; F565-H610 AromaticContact CE2-CG 3.51Å; F565-H610 AromaticContact CE2-NE2 3.83Å; F565-H610 AromaticContact CZ-CD2 3.37Å; F565-H610 WeakPolarHBondContact CZ-CD2 3.24Å; F565-H610 AromaticContact CZ-CG 3.95Å; F565-H610 AromaticContact CZ-NE2 3.43Å; F565-H610 WeakPolarHBondContact CZ-NE2 3.29Å; W579-H610 HydrophobicContact CE3-CB 4.21Å; W579-H610 HydrophobicContact CZ3-CB 4.33Å; L606-H610 WeakPolarHBondContact O-CA 3.3Å; L606-H610 VanDerWaalsContact O-CB 3.3Å; L606-H610 WeakPolarHBondContact O-CB 3.25Å; L606-H610 PolarHBondContact O-N 3.14Å
611	S	89.1	Confident	91.9	Very high	18 Å²	18	23.7 Å²	23.7	13%	0.126	12%	0.117	C	C	.	.	S	Bend	trans	-130.3	170.3	168.4	99.7	0	0	0	0	113.6	F581 S582 V584 L607 L613	F581-S611 WeakPolarHBondContact O-CB 3.47Å; S582-S611 VanDerWaalsContact O-CA 3.26Å; S582-S611 WeakPolarHBondContact O-CA 3.46Å; S582-S611 WeakPolarHBondContact O-CB 3.43Å; V584-S611 PolarHBondContact O-OG 3.03Å; L607-S611 CarbonylContact O-C 3.44Å; L607-S611 PolarHBondContact O-N 3.43Å; L607-S611 VanDerWaalsContact O-N 3.15Å; L607-S611 PolarHBondContact O-OG 3.01Å; L607-S611 VanDerWaalsContact O-OG 3.09Å; S611-L613 PolarHBondContact O-N 2.76Å; S611-L613 PolarHBondContact OG-N 2.7Å
612	K	89.3	Confident	91.9	Very high	143 Å²	143	24 Å²	24	62%	0.622	12%	0.119	S	C	*	.			trans	-76.3	30.8	175.5	-61.8	178.4	-176.5	175.3	0	113	S582 V584 R585 S614	S582-K612 PolarHBondContact O-N 3.46Å; V584-K612 CarbonylContact O-C 3.59Å; V584-K612 PolarHBondContact O-N 2.88Å; R585-K612 HydrophobicContact CG-CB 4.1Å; K612-S614 PolarHBondContact O-N 3.23Å; K612-S614 VanDerWaalsContact O-N 3.13Å; K612-S614 PolarHBondContact O-OG 2.94Å
613	L	92.1	Very high	92.2	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.005	13%	0.128	C	C	.	.			trans	-57.8	119.1	-170.5	-172.4	68	0	0	0	111.5	L370 R373 V584 L587 L604 L607 S611 K615	L370-L613 HydrophobicContact CD1-CD2 4.17Å; L370-L613 HydrophobicContact CD1-CG 4.05Å; R373-L613 PolarHBondContact NH1-O 3.27Å; V584-L613 PolarHBondContact O-N 2.68Å; L587-L613 HydrophobicContact CB-CD1 3.82Å; L604-L613 HydrophobicContact CD1-CD2 3.92Å; L607-L613 HydrophobicContact CB-CB 4.34Å; L607-L613 HydrophobicContact CB-CD2 3.91Å; L607-L613 WeakPolarHBondContact O-CB 3.34Å; S611-L613 PolarHBondContact O-N 2.76Å; S611-L613 PolarHBondContact OG-N 2.7Å; L613-K615 WeakPolarHBondContact CD1-O 3.19Å
614	S	91.1	Very high	92.3	Very high	28 Å²	28	26.9 Å²	26.9	20%	0.196	13%	0.131	C	C	.	.			trans	-125	-20.1	-173.5	-56.8	0	0	0	0	112.6	R585 K612	R585-S614 PolarHBondContact O-N 3.17Å; K612-S614 PolarHBondContact O-N 3.23Å; K612-S614 VanDerWaalsContact O-N 3.13Å; K612-S614 PolarHBondContact O-OG 2.94Å
615	K	92.4	Very high	92.2	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	140.2	179.6	-161.6	176.5	-67.2	-83	0	112.7	W376 L378 I465 N468 P469 R585 V586 L587 L613 I617	W376-K615 HydrophobicContact CE3-CB 4.04Å; W376-K615 HydrophobicContact CZ3-CB 4.1Å; W376-K615 HydrophobicContact CZ3-CD 4.41Å; W376-K615 WeakPolarHBondContact O-CE 3.43Å; W376-K615 PolarHBondContact O-NZ 2.9Å; L378-K615 HydrophobicContact CD1-CD 4.17Å; I465-K615 HydrophobicContact CG2-CD 4.33Å; I465-K615 PolarHBondContact O-NZ 3.43Å; N468-K615 PolarHBondContact O-NZ 3.48Å; P469-K615 CarbonylContact O-C 3.26Å; P469-K615 VanDerWaalsContact O-CA 3.29Å; P469-K615 WeakPolarHBondContact O-CA 3.46Å; R585-K615 PolarHBondContact O-N 3.39Å; V586-K615 WeakPolarHBondContact CA-O 3.47Å; V586-K615 HydrophobicContact CG1-CB 4.44Å; V586-K615 HydrophobicContact CG2-CB 4.3Å; L587-K615 PolarHBondContact N-O 3.47Å; L613-K615 WeakPolarHBondContact CD1-O 3.19Å; K615-I617 HydrophobicContact CD-CD1 4.42Å; K615-I617 HydrophobicContact CG-CG1 4.45Å
616	L	95.6	Very high	92.2	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	123.8	178.1	168.8	62.8	0	0	0	110	I367 L370 P469 V470 T471 L587 V589 F600 L604 I618	I367-L616 HydrophobicContact CD1-CD2 4.43Å; I367-L616 HydrophobicContact CG1-CD2 4.17Å; L370-L616 HydrophobicContact CD2-CB 3.62Å; P469-L616 PolarHBondContact O-N 2.95Å; V470-L616 WeakPolarHBondContact CA-O 3.29Å; V470-L616 HydrophobicContact CG1-CD2 4.17Å; V470-L616 HydrophobicContact CG1-CG 4.45Å; V470-L616 HydrophobicContact CG2-CB 4.36Å; V470-L616 HydrophobicContact CG2-CD2 4.46Å; T471-L616 PolarHBondContact N-O 3.28Å; L587-L616 HydrophobicContact CB-CD1 4.32Å; L587-L616 HydrophobicContact CD2-CD1 3.97Å; L587-L616 HydrophobicContact CG-CD1 4.17Å; L587-L616 WeakPolarHBondContact O-CA 3.45Å; V589-L616 HydrophobicContact CG2-CD1 4.47Å; F600-L616 HydrophobicContact CE2-CD1 4.49Å; F600-L616 HydrophobicContact CZ-CD1 4.28Å; F600-L616 HydrophobicContact CZ-CD2 4.13Å; L604-L616 HydrophobicContact CD1-CD2 4.31Å; L616-I618 HydrophobicContact CD1-CD1 4.34Å; L616-I618 HydrophobicContact CD1-CG1 3.95Å; L616-I618 HydrophobicContact CD2-CD1 4.36Å; L616-I618 HydrophobicContact CG-CD1 4.4Å; L616-I618 HydrophobicContact CG-CG1 4.22Å
617	I	96.4	Very high	92.1	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	124.8	178.2	-57.3	168.4	0	0	0	108.6	I465 T471 V485 F489 V586 L587 V588 V589 K615 L619	I465-I617 HydrophobicContact CG1-CD1 4.29Å; I465-I617 HydrophobicContact CG2-CD1 3.56Å; I465-I617 HydrophobicContact CG2-CG1 4.33Å; T471-I617 WeakPolarHBondContact O-CA 3.41Å; V485-I617 HydrophobicContact CG1-CD1 4.46Å; V485-I617 HydrophobicContact CG2-CG2 4.27Å; F489-I617 HydrophobicContact CE2-CD1 3.7Å; F489-I617 HydrophobicContact CZ-CD1 3.79Å; V586-I617 HydrophobicContact CG1-CD1 4.19Å; L587-I617 PolarHBondContact O-N 3.09Å; V588-I617 CarbonylContact C-O 3.59Å; V588-I617 WeakPolarHBondContact CA-O 3.36Å; V588-I617 HydrophobicContact CG1-CB 4.46Å; V588-I617 HydrophobicContact CG1-CG2 4.45Å; V588-I617 HydrophobicContact CG2-CB 4.37Å; V588-I617 HydrophobicContact CG2-CD1 4.35Å; V589-I617 PolarHBondContact N-O 2.69Å; K615-I617 HydrophobicContact CD-CD1 4.42Å; K615-I617 HydrophobicContact CG-CG1 4.45Å; I617-L619 HydrophobicContact CG2-CD2 3.76Å; I617-L619 HydrophobicContact CG2-CG 4.36Å
618	I	97.1	Very high	91.9	Very high	3 Å²	3	32.3 Å²	32.3	2%	0.015	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	124.3	178.5	-54.8	174.7	0	0	0	109.2	T471 V472 I473 V589 F600 L616 L634 L637	T471-I618 PolarHBondContact O-N 3.4Å; V472-I618 CarbonylContact C-O 3.56Å; V472-I618 WeakPolarHBondContact CA-O 3.45Å; V472-I618 HydrophobicContact CG1-CB 4.41Å; V472-I618 HydrophobicContact CG2-CB 4.34Å; V472-I618 HydrophobicContact CG2-CD1 4.49Å; I473-I618 PolarHBondContact N-O 3.28Å; V589-I618 HydrophobicContact CB-CG1 4.48Å; F600-I618 HydrophobicContact CE2-CD1 4.29Å; F600-I618 HydrophobicContact CZ-CD1 3.83Å; L616-I618 HydrophobicContact CD1-CD1 4.34Å; L616-I618 HydrophobicContact CD1-CG1 3.95Å; L616-I618 HydrophobicContact CD2-CD1 4.36Å; L616-I618 HydrophobicContact CG-CD1 4.4Å; L616-I618 HydrophobicContact CG-CG1 4.22Å; I618-L634 HydrophobicContact CG2-CD1 3.77Å; I618-L637 HydrophobicContact CD1-CD1 3.64Å
619	L	95.9	Very high	91.6	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.005	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	141.6	-179.3	-46.5	179.5	0	0	0	109.9	I473 V485 V588 V589 D590 E591 G592 I617	I473-L619 HydrophobicContact CB-CD2 3.75Å; I473-L619 HydrophobicContact CD1-CD2 3.89Å; I473-L619 HydrophobicContact CG1-CD2 4.1Å; I473-L619 WeakPolarHBondContact O-CA 3.43Å; V485-L619 HydrophobicContact CB-CD1 4.4Å; V485-L619 HydrophobicContact CG2-CD1 3.97Å; V485-L619 HydrophobicContact CG2-CD2 3.92Å; V588-L619 HydrophobicContact CG1-CD1 4.17Å; V588-L619 HydrophobicContact CG1-CG 4.42Å; V589-L619 PolarHBondContact O-N 3.09Å; D590-L619 HydrophobicContact CB-CB 4.47Å; E591-L619 PolarHBondContact N-O 2.72Å; G592-L619 PolarHBondContact N-O 2.86Å; I617-L619 HydrophobicContact CG2-CD2 3.76Å; I617-L619 HydrophobicContact CG2-CG 4.36Å
620	G	94.1	Very high	91.6	Very high	3 Å²	3	28.6 Å²	28.6	3%	0.031	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	176.6	-156.6	175.1	0	0	0	0	0	114	I473 S474 G475 K481	I473-G620 PolarHBondContact O-N 3.4Å; S474-G620 CarbonylContact C-O 3.56Å; S474-G620 WeakPolarHBondContact CA-O 3.38Å; G475-G620 PolarHBondContact N-O 3.42Å; G475-G620 VanDerWaalsContact O-O 3.07Å; K481-G620 VanDerWaalsContact CD-O 3.24Å; K481-G620 WeakPolarHBondContact CD-O 3.49Å; K481-G620 WeakPolarHBondContact CE-O 3.13Å; K481-G620 PolarHBondContact NZ-O 3.31Å
621	D	93.8	Very high	91.7	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.005	12%	0.124	C	C	.	.			trans	-140	114.3	172.4	-172.8	-8.9	0	0	0	109.8	G475 R623 Q624 Y913	G475-D621 VanDerWaalsContact O-CB 3.31Å; G475-D621 WeakPolarHBondContact O-CB 3.38Å; D621-R623 PolarHBondContact O-N 3.45Å; D621-R623 WeakPolarHBondContact OD1-CB 3.48Å; D621-R623 PolarHBondContact OD1-N 2.96Å; D621-Q624 HydrophobicContact CB-CB 4.44Å; D621-Q624 HydrophobicContact CB-CG 3.94Å; D621-Q624 PolarHBondContact O-N 2.82Å; D621-Y913 VanDerWaalsContact OD2-CE1 3.26Å; D621-Y913 WeakPolarHBondContact OD2-CE1 3.4Å; D621-Y913 PolarHBondContact OD2-OH 3.01Å
622	I	93.8	Very high	91.8	Very high	40 Å²	40	24.7 Å²	24.7	21%	0.205	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-11.5	178.2	64.3	-175.4	0	0	0	114	S474 L634 F638	S474-I622 PolarHBondContact OG-N 3.41Å; I622-L634 HydrophobicContact CG2-CD2 4.19Å; I622-L634 HydrophobicContact CG2-CG 4.11Å; I622-F638 HydrophobicContact CD1-CD1 3.76Å; I622-F638 HydrophobicContact CD1-CE1 3.62Å; I622-F638 HydrophobicContact CD1-CZ 4.3Å; I622-F638 HydrophobicContact CG2-CB 3.93Å; I622-F638 HydrophobicContact CG2-CD1 4.05Å; I622-F638 HydrophobicContact CG2-CD2 4.46Å; I622-F638 HydrophobicContact CG2-CG 3.88Å
623	R	93	Very high	92.1	Very high	50 Å²	50	18.2 Å²	18.2	19%	0.189	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-22.4	178.3	-62.8	177.2	177.4	86.6	5.3	113.7	D621 E649 W909 Q910 Y913	D621-R623 PolarHBondContact O-N 3.45Å; D621-R623 WeakPolarHBondContact OD1-CB 3.48Å; D621-R623 PolarHBondContact OD1-N 2.96Å; R623-E649 IonicContact CZ-OE1 2.72Å; R623-E649 IonicContact NH1-OE1 2.69Å; R623-E649 PolarHBondContact NH1-OE1 3.39Å; R623-E649 IonicContact NH2-OE1 3.25Å; R623-E649 PolarHBondContact NH2-OE1 3.27Å; R623-E649 IonicContact NH2-OE2 3.04Å; R623-W909 HydrophobicContact CB-CH2 4Å; R623-W909 HydrophobicContact CB-CZ3 4.08Å; R623-W909 HydrophobicContact CG-CH2 4.3Å; R623-Q910 PolarHBondContact O-NE2 2.9Å; R623-Y913 HydrophobicContact CB-CD1 3.96Å; R623-Y913 HydrophobicContact CB-CE1 3.43Å; R623-Y913 VanDerWaalsContact CB-CE1 3.43Å; R623-Y913 HydrophobicContact CB-CE2 4.06Å; R623-Y913 HydrophobicContact CB-CG 4.5Å; R623-Y913 VanDerWaalsContact CB-CZ 3.49Å; R623-Y913 WeakPolarHBondContact CD-OH 3.26Å
624	Q	92.4	Very high	92.3	Very high	12 Å²	12	18.4 Å²	18.4	6%	0.056	10%	0.097	C	C	.	.	S	Bend	trans	-69.7	164.8	178.1	-73.5	-170.7	19.2	0	0	112.1	D621 Q910 Y913 T914	D621-Q624 HydrophobicContact CB-CB 4.44Å; D621-Q624 HydrophobicContact CB-CG 3.94Å; D621-Q624 PolarHBondContact O-N 2.82Å; Q624-Q910 PolarHBondContact O-NE2 2.93Å; Q624-Y913 HydrophobicContact CG-CD1 4.18Å; Q624-Y913 HydrophobicContact CG-CE1 3.85Å; Q624-T914 WeakPolarHBondContact CA-OG1 3.33Å; Q624-T914 HydrophobicContact CG-CG2 4.4Å
625	L	91.3	Very high	92.4	Very high	5 Å²	5	21.2 Å²	21.2	3%	0.026	11%	0.106	C	C	.	.	P	Polyproline II helix	trans	-55.4	129.6	172.5	-69.6	167.8	0	0	0	110.9	I886 Q890 Q910 T914	L625-I886 HydrophobicContact CD1-CD1 3.94Å; L625-I886 HydrophobicContact CD1-CG1 4.22Å; L625-I886 HydrophobicContact CD1-CG2 4.4Å; L625-Q890 PolarHBondContact O-NE2 3.33Å; L625-Q910 HydrophobicContact CD2-CB 3.77Å; L625-Q910 HydrophobicContact CG-CB 4.29Å; L625-T914 HydrophobicContact CD1-CG2 4.39Å; L625-T914 PolarHBondContact N-OG1 3.14Å
626	P	89.8	Confident	92.6	Very high	29 Å²	29	21.5 Å²	21.5	19%	0.188	11%	0.107	C	C	.	.	P	Polyproline II helix	trans	-72.2	173.7	176.1	31.1	-36.1	0	0	0	112.4	S593	S593-P626 CarbonylContact O-C 3.24Å; S593-P626 VanDerWaalsContact O-CA 3.28Å; S593-P626 WeakPolarHBondContact O-CA 3.48Å
627	S	88.8	Confident	92.6	Very high	3 Å²	3	21.5 Å²	21.5	2%	0.021	11%	0.107	C	C	.	.			trans	-43.5	141.1	174.9	61	0	0	0	0	113.5	S593 L594 E629 R943	S593-S627 PolarHBondContact O-N 3.43Å; L594-S627 VanDerWaalsContact O-CB 3.25Å; L594-S627 WeakPolarHBondContact O-CB 3.35Å; S627-E629 VanDerWaalsContact C-N 3.25Å; S627-E629 PolarHBondContact O-N 3.15Å; S627-E629 PolarHBondContact OG-O 3.05Å; S627-R943 VanDerWaalsContact O-CZ 3.22Å; S627-R943 PolarHBondContact O-NH1 3.18Å; S627-R943 PolarHBondContact O-NH2 3.13Å; S627-R943 PolarHBondContact OG-NH1 3.21Å
628	I	85.8	Confident	92.6	Very high	113 Å²	113	21.8 Å²	21.8	58%	0.579	11%	0.109	S	C	*	.	S	Bend	trans	-61.9	-39.1	174.5	-62.5	174.9	0	0	0	110.3	H887	I628-H887 HydrophobicContact CD1-CB 4.36Å
629	E	85.3	Confident	92.4	Very high	42 Å²	42	25.5 Å²	25.5	20%	0.196	13%	0.126	C	C	.	.	S	Bend	trans	-75.3	160.2	175.4	-60.2	-169.8	140.4	0	0	113	V40 F41 S596 S627 R943	V40-E629 WeakPolarHBondContact CG1-OE1 3.36Å; F41-E629 WeakPolarHBondContact CB-OE1 3.29Å; F41-E629 PolarHBondContact N-OE1 2.94Å; S596-E629 WeakPolarHBondContact CB-OE2 3.41Å; S596-E629 PolarHBondContact OG-OE2 2.97Å; S627-E629 VanDerWaalsContact C-N 3.25Å; S627-E629 PolarHBondContact O-N 3.15Å; S627-E629 PolarHBondContact OG-O 3.05Å; E629-R943 PolarHBondContact O-NH1 2.97Å
630	P	88.4	Confident	92.3	Very high	22 Å²	22	25.7 Å²	25.7	14%	0.143	13%	0.127	C	C	.	.	S	Bend	trans	-50.3	150.2	177	-31.3	37.8	0	0	0	116.2	G309 T311 L356	G309-P630 WeakPolarHBondContact O-CA 3.5Å; T311-P630 HydrophobicContact CG2-CB 4.13Å; L356-P630 HydrophobicContact CD1-CB 3.84Å; L356-P630 HydrophobicContact CD1-CG 4.1Å; L356-P630 HydrophobicContact CD2-CB 4.19Å
631	G	90.4	Very high	92.3	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.126	C	C	.	.			trans	109.7	173.2	179.6	0	0	0	0	0	113.2	G309 R943	G309-G631 PolarHBondContact O-N 3.3Å; G631-R943 WeakPolarHBondContact O-CD 3.47Å; G631-R943 PolarHBondContact O-NH1 2.85Å
632	N	91.9	Very high	92.3	Very high	23 Å²	23	31.2 Å²	31.2	12%	0.123	15%	0.15	C	C	.	.			trans	-142.9	38.7	-175.5	-171.1	46.5	0	0	0	111.2	L634 K635 D636 R943 T945	N632-L634 PolarHBondContact O-N 3.35Å; N632-K635 PolarHBondContact O-N 3.4Å; N632-K635 VanDerWaalsContact O-N 3.15Å; N632-D636 PolarHBondContact ND2-OD1 2.99Å; N632-D636 PolarHBondContact O-N 3.2Å; N632-R943 HydrophobicContact CB-CB 4.37Å; N632-T945 HydrophobicContact CB-CG2 3.84Å
633	L	94.7	Very high	92.1	Very high	6 Å²	6	34 Å²	34	3%	0.031	17%	0.173	C	C	.	.	H	α-helix	trans	-43.7	-64.7	-161	-178.8	66.2	0	0	0	114.5	I363 V595 V597 F600 K635 D636 L637 L947	I363-L633 HydrophobicContact CD1-CD1 4.2Å; I363-L633 HydrophobicContact CG2-CD1 4.24Å; V595-L633 HydrophobicContact CB-CD2 3.95Å; V595-L633 HydrophobicContact CG1-CD2 3.57Å; V597-L633 HydrophobicContact CG1-CB 4.44Å; F600-L633 HydrophobicContact CB-CD2 3.64Å; F600-L633 HydrophobicContact CD1-CD1 3.62Å; F600-L633 HydrophobicContact CD1-CD2 3.73Å; F600-L633 HydrophobicContact CD1-CG 4.3Å; F600-L633 HydrophobicContact CD2-CD2 4.01Å; F600-L633 HydrophobicContact CE1-CD1 4.08Å; F600-L633 HydrophobicContact CE1-CD2 4.42Å; F600-L633 HydrophobicContact CG-CD1 4.26Å; F600-L633 HydrophobicContact CG-CD2 3.5Å; L633-K635 VanDerWaalsContact C-N 3.3Å; L633-K635 PolarHBondContact O-N 3.01Å; L633-D636 PolarHBondContact O-N 2.87Å; L633-L637 HydrophobicContact CD1-CD1 3.6Å; L633-L637 HydrophobicContact CD1-CG 4.24Å; L633-L637 HydrophobicContact CG-CD1 3.91Å; L633-L637 WeakPolarHBondContact O-CB 3.47Å; L633-L637 VanDerWaalsContact O-CG 3.27Å; L633-L637 WeakPolarHBondContact O-CG 2.95Å; L633-L637 PolarHBondContact O-N 3Å; L633-L947 HydrophobicContact CD1-CD2 3.79Å
634	L	95.7	Very high	91.8	Very high	6 Å²	6	36.8 Å²	36.8	3%	0.031	18%	0.184	C	C	.	.	H	α-helix	trans	-56.9	-43	-175.4	179.3	68.9	0	0	0	112.2	V472 I618 I622 N632 F638	V472-L634 HydrophobicContact CG1-CD1 3.69Å; I618-L634 HydrophobicContact CG2-CD1 3.77Å; I622-L634 HydrophobicContact CG2-CD2 4.19Å; I622-L634 HydrophobicContact CG2-CG 4.11Å; N632-L634 PolarHBondContact O-N 3.35Å; L634-F638 WeakPolarHBondContact O-CB 3.11Å; L634-F638 PolarHBondContact O-N 2.91Å
635	K	94.6	Very high	91.7	Very high	86 Å²	86	41.8 Å²	41.8	37%	0.374	21%	0.211	S	C	.	.	H	α-helix	trans	-75	-42.5	-174.9	175.4	175.8	171.5	-171.9	0	111.7	N632 L633 L637 F638 E639	N632-K635 PolarHBondContact O-N 3.4Å; N632-K635 VanDerWaalsContact O-N 3.15Å; L633-K635 VanDerWaalsContact C-N 3.3Å; L633-K635 PolarHBondContact O-N 3.01Å; K635-L637 VanDerWaalsContact C-N 3.32Å; K635-L637 PolarHBondContact O-N 3.44Å; K635-F638 PolarHBondContact O-N 3.06Å; K635-E639 WeakPolarHBondContact CE-OE1 3.16Å; K635-E639 HydrophobicContact CG-CG 4.4Å; K635-E639 IonicContact NZ-OE1 3.98Å; K635-E639 WeakPolarHBondContact O-CB 3.46Å; K635-E639 WeakPolarHBondContact O-CG 3.34Å; K635-E639 PolarHBondContact O-N 2.97Å
636	D	95.5	Very high	91.8	Very high	6 Å²	6	41.8 Å²	41.8	3%	0.032	21%	0.211	C	C	.	.	H	α-helix	trans	-63.7	-39.4	176.9	-72.7	0.4	0	0	0	111.4	N632 L633 T640 T945 L947 K948	N632-D636 PolarHBondContact ND2-OD1 2.99Å; N632-D636 PolarHBondContact O-N 3.2Å; L633-D636 PolarHBondContact O-N 2.87Å; D636-T640 WeakPolarHBondContact O-CB 3.44Å; D636-T640 PolarHBondContact O-N 2.63Å; D636-T640 PolarHBondContact O-OG1 2.82Å; D636-T945 VanDerWaalsContact OD2-CB 3.31Å; D636-T945 WeakPolarHBondContact OD2-CB 3.22Å; D636-T945 PolarHBondContact OD2-OG1 2.99Å; D636-L947 HydrophobicContact CB-CB 4.29Å; D636-L947 HydrophobicContact CB-CD2 4.07Å; D636-L947 HydrophobicContact CB-CG 4.21Å; D636-K948 HydrophobicContact CB-CB 4.27Å
637	L	96.2	Very high	92.1	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-65.2	-51.6	172.6	-72.1	172.9	0	0	0	111.8	I367 V472 I618 L633 K635 E639 T640 L641 L951	I367-L637 HydrophobicContact CD1-CD1 4.26Å; I367-L637 HydrophobicContact CD1-CD2 3.37Å; I367-L637 HydrophobicContact CD1-CG 4.48Å; V472-L637 HydrophobicContact CG2-CB 4.39Å; I618-L637 HydrophobicContact CD1-CD1 3.64Å; L633-L637 HydrophobicContact CD1-CD1 3.6Å; L633-L637 HydrophobicContact CD1-CG 4.24Å; L633-L637 HydrophobicContact CG-CD1 3.91Å; L633-L637 WeakPolarHBondContact O-CB 3.47Å; L633-L637 VanDerWaalsContact O-CG 3.27Å; L633-L637 WeakPolarHBondContact O-CG 2.95Å; L633-L637 PolarHBondContact O-N 3Å; K635-L637 VanDerWaalsContact C-N 3.32Å; K635-L637 PolarHBondContact O-N 3.44Å; L637-E639 PolarHBondContact O-N 3.19Å; L637-T640 PolarHBondContact O-N 3.42Å; L637-T640 VanDerWaalsContact O-N 3.17Å; L637-L641 HydrophobicContact CB-CD1 4.49Å; L637-L641 HydrophobicContact CD2-CD1 4.4Å; L637-L641 WeakPolarHBondContact O-CB 3.47Å; L637-L641 WeakPolarHBondContact O-CG 3.42Å; L637-L641 PolarHBondContact O-N 2.93Å; L637-L951 HydrophobicContact CD2-CD1 3.66Å; L637-L951 HydrophobicContact CD2-CD2 4.29Å
638	F	95.8	Very high	92.4	Very high	7 Å²	7	41.7 Å²	41.7	3%	0.031	21%	0.209	C	C	.	.	H	α-helix	trans	-58.8	-48.8	-178.7	-178.6	-92.8	0	0	0	112.2	V472 I622 L634 K635 T640 K642 A647 I648 E649	V472-F638 HydrophobicContact CG1-CB 4.29Å; V472-F638 HydrophobicContact CG1-CD2 4.23Å; I622-F638 HydrophobicContact CD1-CD1 3.76Å; I622-F638 HydrophobicContact CD1-CE1 3.62Å; I622-F638 HydrophobicContact CD1-CZ 4.3Å; I622-F638 HydrophobicContact CG2-CB 3.93Å; I622-F638 HydrophobicContact CG2-CD1 4.05Å; I622-F638 HydrophobicContact CG2-CD2 4.46Å; I622-F638 HydrophobicContact CG2-CG 3.88Å; L634-F638 WeakPolarHBondContact O-CB 3.11Å; L634-F638 PolarHBondContact O-N 2.91Å; K635-F638 PolarHBondContact O-N 3.06Å; F638-T640 PolarHBondContact O-N 3.43Å; F638-K642 HydrophobicContact CE1-CD 3.89Å; F638-K642 HydrophobicContact CZ-CD 4Å; F638-K642 WeakPolarHBondContact O-CB 3.15Å; F638-K642 PolarHBondContact O-N 3.37Å; F638-A647 HydrophobicContact CD2-CB 3.73Å; F638-A647 HydrophobicContact CE2-CB 4.02Å; F638-A647 HydrophobicContact CG-CB 4.43Å; F638-I648 WeakPolarHBondContact CE2-O 3.41Å; F638-E649 HydrophobicContact CE2-CB 4.49Å; F638-E649 HydrophobicContact CZ-CB 4.05Å
639	E	94.2	Very high	92.8	Very high	81 Å²	81	38 Å²	38	38%	0.379	19%	0.19	S	C	.	.	H	α-helix	trans	-62.3	-30.3	178.2	-74.4	-175.2	-165.6	0	0	113	K635 L637 K948	K635-E639 WeakPolarHBondContact CE-OE1 3.16Å; K635-E639 HydrophobicContact CG-CG 4.4Å; K635-E639 IonicContact NZ-OE1 3.98Å; K635-E639 WeakPolarHBondContact O-CB 3.46Å; K635-E639 WeakPolarHBondContact O-CG 3.34Å; K635-E639 PolarHBondContact O-N 2.97Å; L637-E639 PolarHBondContact O-N 3.19Å; E639-K948 IonicContact OE2-NZ 3.87Å; E639-K948 PolarHBondContact OE2-NZ 3.01Å
640	T	93.9	Very high	93.1	Very high	4 Å²	4	36.1 Å²	36.1	3%	0.025	18%	0.181	C	C	.	.	H	α-helix	trans	-80.3	-52.4	178.4	-52	0	0	0	0	111.4	D636 L637 F638 K642 S643 L951 Q952 L955	D636-T640 WeakPolarHBondContact O-CB 3.44Å; D636-T640 PolarHBondContact O-N 2.63Å; D636-T640 PolarHBondContact O-OG1 2.82Å; L637-T640 PolarHBondContact O-N 3.42Å; L637-T640 VanDerWaalsContact O-N 3.17Å; F638-T640 PolarHBondContact O-N 3.43Å; T640-K642 PolarHBondContact O-N 3.02Å; T640-S643 PolarHBondContact O-N 2.99Å; T640-S643 PolarHBondContact O-OG 2.57Å; T640-L951 HydrophobicContact CG2-CB 3.9Å; T640-Q952 HydrophobicContact CG2-CG 3.9Å; T640-L955 HydrophobicContact CG2-CD1 4.03Å
641	L	93.4	Very high	93	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.005	20%	0.199	C	C	.	.	H	α-helix	trans	-75.6	-22	-171.4	-67.4	174.9	0	0	0	113.5	M371 V470 V472 L637 S643 R644 C646 A647 L955	M371-L641 HydrophobicContact CE-CD2 4.09Å; M371-L641 HydrophobicContact SD-CD2 3.76Å; V470-L641 HydrophobicContact CG1-CD1 3.88Å; V472-L641 HydrophobicContact CG2-CD1 3.75Å; L637-L641 HydrophobicContact CB-CD1 4.49Å; L637-L641 HydrophobicContact CD2-CD1 4.4Å; L637-L641 WeakPolarHBondContact O-CB 3.47Å; L637-L641 WeakPolarHBondContact O-CG 3.42Å; L637-L641 PolarHBondContact O-N 2.93Å; L641-S643 PolarHBondContact O-N 2.79Å; L641-R644 PolarHBondContact O-N 2.79Å; L641-C646 HydrophobicContact CB-CB 4Å; L641-C646 HydrophobicContact CD2-CB 4.28Å; L641-C646 PolarHBondContact O-N 2.83Å; L641-C646 VanDerWaalsContact O-N 3.09Å; L641-A647 HydrophobicContact CB-CB 4.03Å; L641-L955 HydrophobicContact CD2-CD1 4.49Å
642	K	93	Very high	92.7	Very high	120 Å²	120	43.3 Å²	43.3	52%	0.522	22%	0.215	S	C	.	.	G	3₁₀ helix	trans	-58	-33.6	172.5	-177.8	172.1	-177.3	174.5	0	112.4	F638 T640 R644 A647	F638-K642 HydrophobicContact CE1-CD 3.89Å; F638-K642 HydrophobicContact CZ-CD 4Å; F638-K642 WeakPolarHBondContact O-CB 3.15Å; F638-K642 PolarHBondContact O-N 3.37Å; T640-K642 PolarHBondContact O-N 3.02Å; K642-R644 PolarHBondContact O-N 3.44Å; K642-A647 HydrophobicContact CB-CB 4.21Å
643	S	89.3	Confident	92.2	Very high	97 Å²	97	43.4 Å²	43.4	68%	0.678	22%	0.215	S	C	*	.	G	3₁₀ helix	trans	-67.9	-11.3	176.8	70	0	0	0	0	114.4	T640 L641	T640-S643 PolarHBondContact O-N 2.99Å; T640-S643 PolarHBondContact O-OG 2.57Å; L641-S643 PolarHBondContact O-N 2.79Å
644	R	87.1	Confident	91.4	Very high	110 Å²	110	47.4 Å²	47.4	42%	0.415	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-119.1	14.1	-175.3	-63.3	-169	169.5	-147.6	-5.6	113.7	L641 K642 C646 L955	L641-R644 PolarHBondContact O-N 2.79Å; K642-R644 PolarHBondContact O-N 3.44Å; R644-C646 PolarHBondContact O-N 2.83Å; R644-C646 PolarHBondContact O-SG 3.43Å; R644-C646 VanDerWaalsContact O-SG 3.41Å; R644-L955 PolarHBondContact NH1-O 3.24Å; R644-L955 PolarHBondContact NH2-O 3.05Å
645	N	90.9	Very high	90.4	Very high	117 Å²	117	49.7 Å²	49.7	63%	0.626	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.8	34.3	-171.9	-157.3	39.7	0	0	0	113.4	M464 N468	M464-N645 WeakPolarHBondContact CE-O 3.47Å; M464-N645 VanDerWaalsContact CE-OD1 3.28Å; M464-N645 WeakPolarHBondContact CE-OD1 3.49Å; M464-N645 WeakPolarHBondContact CG-O 3.38Å; N468-N645 PolarHBondContact ND2-O 3.47Å
646	C	92.3	Very high	88.6	Confident	5 Å²	5	50.3 Å²	50.3	3%	0.034	26%	0.263	C	S	.	.			trans	-115.3	8.6	175.8	-58.3	0	0	0	0	112.6	M464 V470 T471 V472 L641 R644	M464-C646 VanDerWaalsContact SD-C 3.52Å; V470-C646 WeakPolarHBondContact O-CB 3.37Å; T471-C646 WeakPolarHBondContact CA-O 3.48Å; V472-C646 PolarHBondContact N-O 3.25Å; L641-C646 HydrophobicContact CB-CB 4Å; L641-C646 HydrophobicContact CD2-CB 4.28Å; L641-C646 PolarHBondContact O-N 2.83Å; L641-C646 VanDerWaalsContact O-N 3.09Å; R644-C646 PolarHBondContact O-N 2.83Å; R644-C646 PolarHBondContact O-SG 3.43Å; R644-C646 VanDerWaalsContact O-SG 3.41Å
647	A	95.9	Very high	87.2	Confident	6 Å²	6	55 Å²	55	5%	0.05	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	139.3	169.8	0	0	0	0	0	112.4	M464 V472 F638 L641 K642	M464-A647 PolarHBondContact SD-N 3.27Å; M464-A647 VanDerWaalsContact SD-N 3.43Å; V472-A647 HydrophobicContact CB-CB 3.9Å; V472-A647 CarbonylContact O-C 3.57Å; V472-A647 WeakPolarHBondContact O-CA 3.14Å; V472-A647 WeakPolarHBondContact O-CB 3.25Å; F638-A647 HydrophobicContact CD2-CB 3.73Å; F638-A647 HydrophobicContact CE2-CB 4.02Å; F638-A647 HydrophobicContact CG-CB 4.43Å; L641-A647 HydrophobicContact CB-CB 4.03Å; K642-A647 HydrophobicContact CB-CB 4.21Å
648	I	95.4	Very high	85.9	Confident	24 Å²	24	55.2 Å²	55.2	12%	0.123	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	149.3	-174.7	-171.4	165.9	0	0	0	111.8	A460 A461 M464 V472 I473 S474 F638	A460-I648 HydrophobicContact CB-CD1 3.58Å; A461-I648 HydrophobicContact CB-CD1 4.32Å; A461-I648 HydrophobicContact CB-CG2 3.76Å; M464-I648 HydrophobicContact CE-CB 3.83Å; M464-I648 HydrophobicContact CE-CD1 4.5Å; M464-I648 HydrophobicContact CE-CG2 4.34Å; M464-I648 HydrophobicContact SD-CB 4.04Å; M464-I648 HydrophobicContact SD-CG2 4.01Å; V472-I648 PolarHBondContact O-N 3.39Å; I473-I648 HydrophobicContact CG1-CG2 4Å; I473-I648 HydrophobicContact CG2-CG2 4.39Å; S474-I648 PolarHBondContact N-O 2.7Å; F638-I648 WeakPolarHBondContact CE2-O 3.41Å
649	E	94.6	Very high	85.2	Confident	36 Å²	36	59.8 Å²	59.8	17%	0.168	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	116.2	175.4	-169.9	-173.7	160	0	0	110.9	S474 R623 F638 K651	S474-E649 CarbonylContact O-C 3.22Å; S474-E649 VanDerWaalsContact O-CA 3.29Å; S474-E649 WeakPolarHBondContact O-CA 3.3Å; R623-E649 IonicContact CZ-OE1 2.72Å; R623-E649 IonicContact NH1-OE1 2.69Å; R623-E649 PolarHBondContact NH1-OE1 3.39Å; R623-E649 IonicContact NH2-OE1 3.25Å; R623-E649 PolarHBondContact NH2-OE1 3.27Å; R623-E649 IonicContact NH2-OE2 3.04Å; F638-E649 HydrophobicContact CE2-CB 4.49Å; F638-E649 HydrophobicContact CZ-CB 4.05Å; E649-K651 PolarHBondContact O-N 2.97Å; E649-K651 PolarHBondContact O-NZ 2.95Å
650	L	91.8	Very high	84.9	Confident	1 Å²	1	57.5 Å²	57.5	1%	0.005	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	116.7	171.2	-52.5	-176	0	0	0	109.5	D457 A461 I473 S474 G475 C479 K481 I484	D457-L650 VanDerWaalsContact C-CD2 3.47Å; D457-L650 HydrophobicContact CB-CD2 3.82Å; D457-L650 WeakPolarHBondContact O-CD2 3.39Å; A461-L650 HydrophobicContact CB-CD2 3.89Å; I473-L650 HydrophobicContact CG2-CD1 3.77Å; I473-L650 HydrophobicContact CG2-CD2 4.41Å; I473-L650 HydrophobicContact CG2-CG 3.76Å; S474-L650 PolarHBondContact O-N 3.04Å; G475-L650 WeakPolarHBondContact CA-O 3.37Å; C479-L650 HydrophobicContact CB-CB 3.92Å; C479-L650 WeakPolarHBondContact O-CD1 3.4Å; K481-L650 HydrophobicContact CG-CD1 3.89Å; I484-L650 HydrophobicContact CD1-CD1 4.06Å
651	K	86	Confident	84.7	Confident	119 Å²	119	57.4 Å²	57.4	52%	0.517	30%	0.297	S	S	.	.			trans	-97.3	-38.7	-176.2	-60.3	169.5	-136.2	66.7	0	111.9	D457 E649	D457-K651 IonicContact OD1-NZ 2.67Å; D457-K651 PolarHBondContact OD1-NZ 3.08Å; D457-K651 WeakPolarHBondContact OD2-CB 3.44Å; D457-K651 WeakPolarHBondContact OD2-CG 3.29Å; D457-K651 PolarHBondContact OD2-N 3.17Å; D457-K651 IonicContact OD2-NZ 2.69Å; D457-K651 PolarHBondContact OD2-NZ 2.88Å; E649-K651 PolarHBondContact O-N 2.97Å; E649-K651 PolarHBondContact O-NZ 2.95Å
652	T	84.1	Confident	84.4	Confident	55 Å²	55	58 Å²	58	34%	0.337	30%	0.301	S	S	.	.			trans	-61.4	146.7	179.6	-40.4	0	0	0	0	111.2	D455 C479 H654	D455-T652 PolarHBondContact OD1-OG1 3.36Å; D455-T652 WeakPolarHBondContact OD2-CB 3.41Å; D455-T652 PolarHBondContact OD2-OG1 3.01Å; C479-T652 WeakPolarHBondContact CA-O 3.39Å; C479-T652 WeakPolarHBondContact CB-O 3.4Å; C479-T652 PolarHBondContact SG-O 3.04Å; T652-H654 VanDerWaalsContact CG2-CE1 3.43Å; T652-H654 WeakPolarHBondContact CG2-CE1 3.45Å
653	N	81.7	Confident	84.2	Confident	25 Å²	25	55 Å²	55	13%	0.134	29%	0.29	C	S	.	.			trans	-123.5	137.6	175.5	173.9	36.8	0	0	0	109.1	G478 R655 S658 V662	G478-N653 WeakPolarHBondContact CA-OD1 3.42Å; G478-N653 PolarHBondContact O-OD1 2.86Å; N653-R655 PolarHBondContact ND2-O 2.86Å; N653-R655 PolarHBondContact OD1-N 3.38Å; N653-R655 VanDerWaalsContact OD1-N 3.16Å; N653-S658 PolarHBondContact ND2-OG 3.17Å; N653-V662 HydrophobicContact CB-CG1 4.12Å; N653-V662 WeakPolarHBondContact ND2-CG2 3.49Å
654	H	78.1	Confident	84.4	Confident	89 Å²	89	50.4 Å²	50.4	41%	0.412	26%	0.258	S	S	.	.			trans	-114.1	3.1	-176.3	-47.7	-83.7	0	0	0	112.5	D455 Q458 G478 T652 A656	D455-H654 IonicContact OD2-CE1 2.71Å; D455-H654 PolarHBondContact OD2-CE1 3.39Å; D455-H654 IonicContact OD2-NE2 3.32Å; D455-H654 PolarHBondContact OD2-NE2 3.17Å; Q458-H654 PolarHBondContact NE2-CD2 2.93Å; Q458-H654 VanDerWaalsContact NE2-CD2 3.33Å; Q458-H654 PolarHBondContact NE2-CE1 3.46Å; Q458-H654 PolarHBondContact NE2-NE2 3.36Å; G478-H654 PolarHBondContact O-N 3.2Å; T652-H654 VanDerWaalsContact CG2-CE1 3.43Å; T652-H654 WeakPolarHBondContact CG2-CE1 3.45Å; H654-A656 PolarHBondContact O-N 2.8Å
655	R	74.3	Confident	84.6	Confident	54 Å²	54	45.2 Å²	45.2	20%	0.204	24%	0.239	C	C	.	.			trans	-83.7	94.6	171	-74.9	179.4	-178.2	164.2	4.5	110.3	N653 E657 S658 E893	N653-R655 PolarHBondContact ND2-O 2.86Å; N653-R655 PolarHBondContact OD1-N 3.38Å; N653-R655 VanDerWaalsContact OD1-N 3.16Å; R655-E657 PolarHBondContact O-N 3.28Å; R655-S658 WeakPolarHBondContact CB-OG 3.24Å; R655-S658 PolarHBondContact O-N 3.29Å; R655-S658 VanDerWaalsContact O-N 3.09Å; R655-S658 PolarHBondContact O-OG 3.31Å; R655-E893 IonicContact CZ-OE1 2.71Å; R655-E893 IonicContact CZ-OE2 3.87Å; R655-E893 IonicContact NH1-OE1 3.1Å; R655-E893 PolarHBondContact NH1-OE1 2.89Å; R655-E893 IonicContact NH2-OE1 2.68Å; R655-E893 PolarHBondContact NH2-OE1 3.4Å; R655-E893 IonicContact NH2-OE2 3.15Å; R655-E893 PolarHBondContact NH2-OE2 3.43Å
656	A	57.6	Low	84.6	Confident	99 Å²	99	41 Å²	41	82%	0.818	22%	0.218	S	C	*	.	G	3₁₀ helix	trans	-49	-43.3	177.7	0	0	0	0	0	112.9	H654 S658	H654-A656 PolarHBondContact O-N 2.8Å; A656-S658 PolarHBondContact O-N 3.01Å
657	E	65.9	Low	84.7	Confident	104 Å²	104	43.1 Å²	43.1	49%	0.486	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-64.9	-2.7	-178.4	-58.2	163.4	-97	0	0	115.4	R655 C921	R655-E657 PolarHBondContact O-N 3.28Å; E657-C921 PolarHBondContact OE2-SG 2.88Å
658	S	68.2	Low	84.6	Confident	5 Å²	5	42.9 Å²	42.9	4%	0.035	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-130.1	8.2	-161.1	73.6	0	0	0	0	116.2	N653 R655 A656 L660 I661 V662 R920	N653-S658 PolarHBondContact ND2-OG 3.17Å; R655-S658 WeakPolarHBondContact CB-OG 3.24Å; R655-S658 PolarHBondContact O-N 3.29Å; R655-S658 VanDerWaalsContact O-N 3.09Å; R655-S658 PolarHBondContact O-OG 3.31Å; A656-S658 PolarHBondContact O-N 3.01Å; S658-L660 PolarHBondContact O-N 2.7Å; S658-I661 WeakPolarHBondContact O-CB 3.23Å; S658-I661 PolarHBondContact O-N 3.13Å; S658-V662 PolarHBondContact O-N 3.38Å; S658-R920 WeakPolarHBondContact CB-O 3.5Å
659	Q	82.2	Confident	84.5	Confident	103 Å²	103	42.8 Å²	42.8	48%	0.481	22%	0.224	S	C	.	.	H	α-helix	trans	-56.8	-45.2	-168.5	-174.1	56.9	37.2	0	0	112.8	V662 D663	Q659-V662 PolarHBondContact O-N 3.02Å; Q659-D663 PolarHBondContact NE2-OD1 2.96Å; Q659-D663 WeakPolarHBondContact O-CB 3.47Å; Q659-D663 PolarHBondContact O-N 3.06Å
660	L	87.9	Confident	84.5	Confident	33 Å²	33	49.3 Å²	49.3	17%	0.173	25%	0.247	C	C	.	.	H	α-helix	trans	-67.1	-36.8	177.4	-177.7	60	0	0	0	112.8	S658 V662 D663 N664 D677 F697	S658-L660 PolarHBondContact O-N 2.7Å; L660-V662 VanDerWaalsContact C-N 3.3Å; L660-V662 PolarHBondContact O-N 2.82Å; L660-D663 HydrophobicContact CD1-CB 4.38Å; L660-D663 WeakPolarHBondContact O-CB 3.48Å; L660-D663 PolarHBondContact O-N 3.28Å; L660-N664 VanDerWaalsContact O-CB 3.27Å; L660-N664 WeakPolarHBondContact O-CB 3.45Å; L660-N664 PolarHBondContact O-N 3.14Å; L660-N664 PolarHBondContact O-ND2 2.85Å; L660-D677 WeakPolarHBondContact CD2-OD1 3.5Å; L660-D677 VanDerWaalsContact CD2-OD2 3.31Å; L660-D677 WeakPolarHBondContact CD2-OD2 3.17Å; L660-F697 HydrophobicContact CD2-CB 3.69Å; L660-F697 HydrophobicContact CG-CB 4.1Å
661	I	88.6	Confident	84.6	Confident	3 Å²	3	54.7 Å²	54.7	2%	0.015	27%	0.267	C	S	.	.	H	α-helix	trans	-59.6	-44.1	175.8	-62.2	169.1	0	0	0	109.7	S658 N664 A665 F697 V916 V923	S658-I661 WeakPolarHBondContact O-CB 3.23Å; S658-I661 PolarHBondContact O-N 3.13Å; I661-N664 PolarHBondContact O-N 2.92Å; I661-A665 WeakPolarHBondContact O-CB 3.32Å; I661-A665 PolarHBondContact O-N 3.12Å; I661-F697 HydrophobicContact CG1-CD2 4.24Å; I661-V916 HydrophobicContact CG2-CG1 3.92Å; I661-V916 WeakPolarHBondContact CG2-O 3.36Å; I661-V923 HydrophobicContact CD1-CG2 3.96Å; I661-V923 HydrophobicContact CG1-CG2 4.13Å; I661-V923 HydrophobicContact CG2-CG2 4.25Å
662	V	87.4	Confident	85	Confident	14 Å²	14	53.8 Å²	53.8	9%	0.085	27%	0.265	C	S	.	.	H	α-helix	trans	-74	-35.9	179.4	167.2	0	0	0	0	112.8	K476 N653 S658 Q659 L660 T666	K476-V662 HydrophobicContact CD-CG1 4.27Å; N653-V662 HydrophobicContact CB-CG1 4.12Å; N653-V662 WeakPolarHBondContact ND2-CG2 3.49Å; S658-V662 PolarHBondContact O-N 3.38Å; Q659-V662 PolarHBondContact O-N 3.02Å; L660-V662 VanDerWaalsContact C-N 3.3Å; L660-V662 PolarHBondContact O-N 2.82Å; V662-T666 WeakPolarHBondContact O-CB 3.45Å; V662-T666 PolarHBondContact O-N 3.23Å; V662-T666 PolarHBondContact O-OG1 3.09Å
663	D	89.4	Confident	85.5	Confident	56 Å²	56	53.8 Å²	53.8	30%	0.299	26%	0.26	S	S	.	.	H	α-helix	trans	-60.2	-46.7	169.3	-101.1	37	0	0	0	111.3	Q659 L660 T666 R667	Q659-D663 PolarHBondContact NE2-OD1 2.96Å; Q659-D663 WeakPolarHBondContact O-CB 3.47Å; Q659-D663 PolarHBondContact O-N 3.06Å; L660-D663 HydrophobicContact CD1-CB 4.38Å; L660-D663 WeakPolarHBondContact O-CB 3.48Å; L660-D663 PolarHBondContact O-N 3.28Å; D663-T666 CarbonylContact O-C 3.57Å; D663-T666 WeakPolarHBondContact O-CA 3.27Å; D663-T666 VanDerWaalsContact O-CB 3.29Å; D663-T666 WeakPolarHBondContact O-CB 3.34Å; D663-T666 PolarHBondContact O-N 3.39Å; D663-T666 VanDerWaalsContact O-N 3.13Å; D663-R667 WeakPolarHBondContact O-CG 3.41Å; D663-R667 PolarHBondContact O-N 2.96Å; D663-R667 IonicContact OD2-CZ 3.61Å; D663-R667 IonicContact OD2-NH1 3.54Å; D663-R667 IonicContact OD2-NH2 2.72Å; D663-R667 PolarHBondContact OD2-NH2 3.22Å
664	N	92.6	Very high	86.1	Confident	0 Å²	0	53 Å²	53	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-69.6	-40	179	-78	-22.6	0	0	0	112.2	L660 I661 T666 R667 I668 P674 K675 F697	L660-N664 VanDerWaalsContact O-CB 3.27Å; L660-N664 WeakPolarHBondContact O-CB 3.45Å; L660-N664 PolarHBondContact O-N 3.14Å; L660-N664 PolarHBondContact O-ND2 2.85Å; I661-N664 PolarHBondContact O-N 2.92Å; N664-T666 PolarHBondContact O-N 3.15Å; N664-R667 PolarHBondContact O-N 3.19Å; N664-R667 PolarHBondContact OD1-NH1 2.96Å; N664-I668 WeakPolarHBondContact O-CB 3.25Å; N664-I668 WeakPolarHBondContact O-CD1 3.35Å; N664-I668 VanDerWaalsContact O-CG1 3.23Å; N664-I668 WeakPolarHBondContact O-CG1 3.33Å; N664-I668 PolarHBondContact O-N 2.83Å; N664-P674 HydrophobicContact CB-CB 3.92Å; N664-P674 WeakPolarHBondContact OD1-CA 3.34Å; N664-K675 PolarHBondContact ND2-O 2.9Å; N664-K675 PolarHBondContact OD1-N 3.29Å; N664-K675 PolarHBondContact OD1-O 3.04Å; N664-F697 HydrophobicContact CB-CE1 4.33Å; N664-F697 HydrophobicContact CB-CE2 4.33Å; N664-F697 HydrophobicContact CB-CZ 4.18Å; N664-F697 WeakPolarHBondContact ND2-CD1 3.34Å; N664-F697 WeakPolarHBondContact ND2-CE1 3.47Å; N664-F697 WeakPolarHBondContact ND2-CG 3.31Å
665	A	91.5	Very high	86.8	Confident	1 Å²	1	55.3 Å²	55.3	1%	0.008	27%	0.266	C	S	.	.	H	α-helix	trans	-56.3	-40.4	167.6	0	0	0	0	0	111	I661 S669 Y913 V916 T917	I661-A665 WeakPolarHBondContact O-CB 3.32Å; I661-A665 PolarHBondContact O-N 3.12Å; A665-S669 WeakPolarHBondContact O-CB 3.43Å; A665-S669 PolarHBondContact O-N 3.17Å; A665-S669 PolarHBondContact O-OG 2.83Å; A665-Y913 HydrophobicContact CB-CD2 4.01Å; A665-Y913 HydrophobicContact CB-CE2 3.75Å; A665-Y913 WeakPolarHBondContact O-CD2 3.46Å; A665-Y913 VanDerWaalsContact O-CE2 3.28Å; A665-Y913 WeakPolarHBondContact O-CE2 3.35Å; A665-V916 HydrophobicContact CB-CG1 4.25Å; A665-T917 HydrophobicContact CB-CG2 3.72Å
666	T	91.1	Very high	87.6	Confident	30 Å²	30	54.3 Å²	54.3	18%	0.184	26%	0.263	C	S	.	.	H	α-helix	trans	-64.3	-45.3	175.3	-53.1	0	0	0	0	111.7	K476 V662 D663 N664 S669 R670	K476-T666 WeakPolarHBondContact CE-OG1 3.29Å; K476-T666 PolarHBondContact NZ-OG1 3.44Å; V662-T666 WeakPolarHBondContact O-CB 3.45Å; V662-T666 PolarHBondContact O-N 3.23Å; V662-T666 PolarHBondContact O-OG1 3.09Å; D663-T666 CarbonylContact O-C 3.57Å; D663-T666 WeakPolarHBondContact O-CA 3.27Å; D663-T666 VanDerWaalsContact O-CB 3.29Å; D663-T666 WeakPolarHBondContact O-CB 3.34Å; D663-T666 PolarHBondContact O-N 3.39Å; D663-T666 VanDerWaalsContact O-N 3.13Å; N664-T666 PolarHBondContact O-N 3.15Å; T666-S669 PolarHBondContact O-N 3.47Å; T666-S669 PolarHBondContact O-OG 3.34Å; T666-R670 WeakPolarHBondContact O-CG 3.14Å; T666-R670 PolarHBondContact O-N 3.16Å
667	R	94.3	Very high	89	Confident	48 Å²	48	52.4 Å²	52.4	18%	0.181	24%	0.239	C	C	.	.	H	α-helix	trans	-58.3	-52.2	174.5	-69.5	167.1	-168.9	125.4	16.8	111.4	D663 N664 S669 R670 R671 Q672	D663-R667 WeakPolarHBondContact O-CG 3.41Å; D663-R667 PolarHBondContact O-N 2.96Å; D663-R667 IonicContact OD2-CZ 3.61Å; D663-R667 IonicContact OD2-NH1 3.54Å; D663-R667 IonicContact OD2-NH2 2.72Å; D663-R667 PolarHBondContact OD2-NH2 3.22Å; N664-R667 PolarHBondContact O-N 3.19Å; N664-R667 PolarHBondContact OD1-NH1 2.96Å; R667-S669 VanDerWaalsContact C-N 3.29Å; R667-S669 PolarHBondContact O-N 3.02Å; R667-R670 CarbonylContact O-C 3.56Å; R667-R670 WeakPolarHBondContact O-CA 3.16Å; R667-R670 WeakPolarHBondContact O-CB 3.28Å; R667-R670 PolarHBondContact O-N 3.24Å; R667-R671 PolarHBondContact O-N 3.48Å; R667-Q672 CarbonylContact C-O 3.38Å; R667-Q672 VanDerWaalsContact C-O 3.26Å; R667-Q672 HydrophobicContact CB-CB 4.01Å; R667-Q672 WeakPolarHBondContact O-CB 3.45Å; R667-Q672 PolarHBondContact O-N 3.04Å
668	I	94.9	Very high	89.9	Confident	1 Å²	1	48.5 Å²	48.5	1%	0.005	22%	0.224	C	C	.	.	H	α-helix	trans	-58.5	-40	178	-65.2	158.7	0	0	0	111.1	N664 R670 R671 Q672 V912 V916 I936	N664-I668 WeakPolarHBondContact O-CB 3.25Å; N664-I668 WeakPolarHBondContact O-CD1 3.35Å; N664-I668 VanDerWaalsContact O-CG1 3.23Å; N664-I668 WeakPolarHBondContact O-CG1 3.33Å; N664-I668 PolarHBondContact O-N 2.83Å; I668-R670 PolarHBondContact O-N 3.45Å; I668-R671 WeakPolarHBondContact O-CA 3.49Å; I668-R671 PolarHBondContact O-N 3.27Å; I668-Q672 PolarHBondContact N-O 3.34Å; I668-V912 HydrophobicContact CD1-CG1 4Å; I668-V912 HydrophobicContact CG2-CB 4.08Å; I668-V912 HydrophobicContact CG2-CG1 4.39Å; I668-V916 HydrophobicContact CD1-CB 4.44Å; I668-V916 HydrophobicContact CD1-CG2 3.94Å; I668-I936 HydrophobicContact CG1-CD1 4.4Å; I668-I936 HydrophobicContact CG1-CG1 4.48Å; I668-I936 HydrophobicContact CG2-CG1 4.46Å
669	S	92.3	Very high	90.7	Very high	23 Å²	23	53.2 Å²	53.2	16%	0.161	25%	0.246	C	C	.	.	H	α-helix	trans	-66.8	-20.6	175.7	78.4	0	0	0	0	114.5	A665 T666 R667	A665-S669 WeakPolarHBondContact O-CB 3.43Å; A665-S669 PolarHBondContact O-N 3.17Å; A665-S669 PolarHBondContact O-OG 2.83Å; T666-S669 PolarHBondContact O-N 3.47Å; T666-S669 PolarHBondContact O-OG 3.34Å; R667-S669 VanDerWaalsContact C-N 3.29Å; R667-S669 PolarHBondContact O-N 3.02Å
670	R	94.1	Very high	90.7	Very high	173 Å²	173	48.7 Å²	48.7	65%	0.653	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.1	7.8	171.3	-65	173.8	177.6	178.3	-1.4	112.4	T666 R667 I668 Q672	T666-R670 WeakPolarHBondContact O-CG 3.14Å; T666-R670 PolarHBondContact O-N 3.16Å; R667-R670 CarbonylContact O-C 3.56Å; R667-R670 WeakPolarHBondContact O-CA 3.16Å; R667-R670 WeakPolarHBondContact O-CB 3.28Å; R667-R670 PolarHBondContact O-N 3.24Å; I668-R670 PolarHBondContact O-N 3.45Å; R670-Q672 HydrophobicContact CB-CG 4.11Å; R670-Q672 PolarHBondContact O-N 3.43Å
671	R	94.3	Very high	90.2	Very high	113 Å²	113	52 Å²	52	43%	0.426	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.8	29.7	-172.5	-51.1	-179.9	-158.1	134.2	4.7	113.3	R667 I668 N939	R667-R671 PolarHBondContact O-N 3.48Å; I668-R671 WeakPolarHBondContact O-CA 3.49Å; I668-R671 PolarHBondContact O-N 3.27Å; R671-N939 PolarHBondContact NE-OD1 2.87Å; R671-N939 PolarHBondContact NH1-OD1 3.06Å; R671-N939 PolarHBondContact NH2-OD1 3.38Å
672	Q	95.1	Very high	89.2	Confident	100 Å²	100	53.3 Å²	53.3	47%	0.467	25%	0.249	S	C	.	.	P	Polyproline II helix	trans	-95.3	141.4	172.7	-63.5	172.7	-26.8	0	0	109	R667 I668 R670	R667-Q672 CarbonylContact C-O 3.38Å; R667-Q672 VanDerWaalsContact C-O 3.26Å; R667-Q672 HydrophobicContact CB-CB 4.01Å; R667-Q672 WeakPolarHBondContact O-CB 3.45Å; R667-Q672 PolarHBondContact O-N 3.04Å; I668-Q672 PolarHBondContact N-O 3.34Å; R670-Q672 HydrophobicContact CB-CG 4.11Å; R670-Q672 PolarHBondContact O-N 3.43Å
673	F	94.1	Very high	87.6	Confident	55 Å²	55	56.7 Å²	56.7	24%	0.241	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-62.7	139.8	176	-158.3	-110.9	0	0	0	110.2	F676 E929 L932 R933 I936	F673-F676 AromaticContact CE1-CE2 3.81Å; F673-F676 HydrophobicContact CE1-CE2 3.81Å; F673-F676 HydrophobicContact CZ-CE2 4.12Å; F673-E929 HydrophobicContact CZ-CG 3.92Å; F673-L932 HydrophobicContact CE2-CB 4.47Å; F673-L932 HydrophobicContact CE2-CD2 3.82Å; F673-L932 HydrophobicContact CE2-CG 3.88Å; F673-L932 HydrophobicContact CZ-CD2 3.92Å; F673-L932 HydrophobicContact CZ-CG 4.46Å; F673-R933 HydrophobicContact CD2-CG 3.68Å; F673-R933 HydrophobicContact CE2-CB 4.49Å; F673-R933 HydrophobicContact CE2-CG 3.4Å; F673-R933 VanDerWaalsContact CE2-CG 3.4Å; F673-R933 HydrophobicContact CZ-CG 4.23Å; F673-I936 HydrophobicContact CD2-CD1 3.85Å; F673-I936 HydrophobicContact CE2-CD1 4.26Å
674	P	94.2	Very high	85.7	Confident	9 Å²	9	61.9 Å²	61.9	6%	0.058	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-66.5	164.6	176.3	29.8	-37.3	0	0	0	111.8	N664 F676 F697 I936	N664-P674 HydrophobicContact CB-CB 3.92Å; N664-P674 WeakPolarHBondContact OD1-CA 3.34Å; P674-F676 HydrophobicContact CG-CE1 4.34Å; P674-F676 HydrophobicContact CG-CE2 3.91Å; P674-F676 HydrophobicContact CG-CZ 3.68Å; P674-F697 HydrophobicContact CB-CD1 4.46Å; P674-F697 HydrophobicContact CB-CE1 3.69Å; P674-F697 HydrophobicContact CB-CZ 4.33Å; P674-F697 HydrophobicContact CG-CE1 4.07Å; P674-I936 VanDerWaalsContact CD-CD1 3.49Å; P674-I936 HydrophobicContact CG-CD1 4.4Å
675	K	92.8	Very high	83.4	Confident	137 Å²	137	68.2 Å²	68.2	60%	0.596	34%	0.335	S	S	*	.	P	Polyproline II helix	trans	-99.2	136.9	165.6	-67.5	-170.3	172	-168.1	0	109.2	N664 F697	N664-K675 PolarHBondContact ND2-O 2.9Å; N664-K675 PolarHBondContact OD1-N 3.29Å; N664-K675 PolarHBondContact OD1-O 3.04Å; K675-F697 WeakPolarHBondContact O-CD1 3.41Å
676	F	90.9	Very high	81.3	Confident	34 Å²	34	72.2 Å²	72.2	15%	0.149	36%	0.362	C	S	.	.			trans	-107.4	146	176.5	-60.1	-81.8	0	0	0	110.8	F673 P674 E679 F697 F699 V925 L932	F673-F676 AromaticContact CE1-CE2 3.81Å; F673-F676 HydrophobicContact CE1-CE2 3.81Å; F673-F676 HydrophobicContact CZ-CE2 4.12Å; P674-F676 HydrophobicContact CG-CE1 4.34Å; P674-F676 HydrophobicContact CG-CE2 3.91Å; P674-F676 HydrophobicContact CG-CZ 3.68Å; F676-E679 HydrophobicContact CB-CG 4.32Å; F676-F697 CarbonylContact C-O 3.55Å; F676-F697 WeakPolarHBondContact CA-O 3.46Å; F676-F697 AromaticContact CD1-CD1 3.33Å; F676-F697 HydrophobicContact CD1-CD1 3.33Å; F676-F697 AromaticContact CD1-CE1 3.62Å; F676-F697 HydrophobicContact CD1-CE1 3.62Å; F676-F697 HydrophobicContact CD1-CG 4.46Å; F676-F697 AromaticContact CE1-CD1 3.59Å; F676-F697 HydrophobicContact CE1-CD1 3.59Å; F676-F697 AromaticContact CE1-CE1 3.32Å; F676-F697 HydrophobicContact CE1-CE1 3.32Å; F676-F697 HydrophobicContact CE1-CZ 4.41Å; F676-F697 HydrophobicContact CG-CD1 4.23Å; F676-F697 HydrophobicContact CZ-CE1 4.12Å; F676-F699 HydrophobicContact CB-CB 4.3Å; F676-F699 HydrophobicContact CD1-CB 3.58Å; F676-F699 VanDerWaalsContact CD1-N 3.34Å; F676-F699 HydrophobicContact CD2-CB 3.85Å; F676-F699 HydrophobicContact CD2-CG 4.32Å; F676-F699 HydrophobicContact CE1-CB 3.68Å; F676-F699 HydrophobicContact CE1-CD2 4.09Å; F676-F699 HydrophobicContact CE1-CG 4.19Å; F676-F699 HydrophobicContact CE2-CB 3.95Å; F676-F699 HydrophobicContact CE2-CD2 4.2Å; F676-F699 HydrophobicContact CE2-CG 4Å; F676-F699 HydrophobicContact CG-CB 3.66Å; F676-F699 HydrophobicContact CZ-CB 3.87Å; F676-F699 AromaticContact CZ-CD2 3.74Å; F676-F699 HydrophobicContact CZ-CD2 3.74Å; F676-F699 AromaticContact CZ-CG 3.93Å; F676-F699 HydrophobicContact CZ-CG 3.93Å; F676-V925 HydrophobicContact CE1-CB 4.18Å; F676-V925 HydrophobicContact CE1-CG2 4.21Å; F676-L932 HydrophobicContact CZ-CD2 3.94Å
677	D	87.8	Confident	79.1	Confident	58 Å²	58	77 Å²	77	31%	0.31	39%	0.391	S	S	.	.	S	Bend	trans	-81.3	-23.9	175.1	-61.2	-45.6	0	0	0	112.1	L660 K695 T696 F697	L660-D677 WeakPolarHBondContact CD2-OD1 3.5Å; L660-D677 VanDerWaalsContact CD2-OD2 3.31Å; L660-D677 WeakPolarHBondContact CD2-OD2 3.17Å; D677-K695 HydrophobicContact CB-CB 4.06Å; D677-K695 HydrophobicContact CB-CD 3.54Å; D677-K695 HydrophobicContact CB-CG 4.39Å; D677-K695 WeakPolarHBondContact O-CD 3.43Å; D677-K695 PolarHBondContact O-NZ 3.23Å; D677-T696 WeakPolarHBondContact OD2-CA 3.29Å; D677-T696 PolarHBondContact OD2-N 2.98Å; D677-T696 PolarHBondContact OD2-OG1 3.31Å; D677-F697 PolarHBondContact N-O 3.07Å; D677-F697 PolarHBondContact OD2-N 2.68Å
678	A	84.9	Confident	77.2	Confident	22 Å²	22	76.9 Å²	76.9	18%	0.182	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156	150	178.9	0	0	0	0	0	110	K695 F699	A678-K695 HydrophobicContact CB-CD 4.1Å; A678-K695 HydrophobicContact CB-CG 4.07Å; A678-F699 PolarHBondContact O-N 3.39Å
679	E	84.8	Confident	75.3	Confident	104 Å²	104	80.4 Å²	80.4	49%	0.486	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	133.4	173	-52.8	-164.2	168.8	0	0	109.6	F676 F699	F676-E679 HydrophobicContact CB-CG 4.32Å; E679-F699 CarbonylContact C-O 3.56Å; E679-F699 WeakPolarHBondContact CA-O 3.36Å; E679-F699 HydrophobicContact CB-CB 4.25Å; E679-F699 HydrophobicContact CB-CD1 4.5Å; E679-F699 HydrophobicContact CG-CB 3.98Å; E679-F699 HydrophobicContact CG-CD1 4.36Å
680	L	82.6	Confident	73.3	Confident	9 Å²	9	87.5 Å²	87.5	5%	0.047	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	116.3	-177.8	-57.5	-179.2	0	0	0	110.1	L688 P689 I692 I698 F699 V700 R701 L727	L680-L688 HydrophobicContact CD1-CD2 4.31Å; L680-P689 HydrophobicContact CD2-CG 3.92Å; L680-I692 HydrophobicContact CD1-CD1 4.05Å; L680-I692 HydrophobicContact CD2-CD1 3.82Å; L680-I692 HydrophobicContact CD2-CG1 4.37Å; L680-I698 HydrophobicContact CD1-CG2 4.02Å; L680-I698 HydrophobicContact CG-CG2 4.13Å; L680-F699 PolarHBondContact N-O 2.63Å; L680-V700 HydrophobicContact CB-CG1 4.39Å; L680-V700 HydrophobicContact CB-CG2 4.49Å; L680-V700 HydrophobicContact CD1-CG2 4.35Å; L680-R701 PolarHBondContact O-N 3.29Å; L680-L727 HydrophobicContact CD1-CD2 4.33Å
681	N	76.6	Confident	71.4	Confident	102 Å²	102	83 Å²	83	55%	0.545	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	98.9	175.5	-63.1	-50.3	0	0	0	109	S683 R701	N681-S683 PolarHBondContact O-N 3.22Å; N681-S683 VanDerWaalsContact O-N 3.15Å; N681-R701 VanDerWaalsContact OD1-CB 3.27Å; N681-R701 WeakPolarHBondContact OD1-CB 3.42Å; N681-R701 WeakPolarHBondContact OD1-CD 3.38Å
682	I	66.8	Low	69.9	Low	30 Å²	30	77.9 Å²	77.9	15%	0.154	43%	0.427	C	S	.	.			trans	-90.2	79	-176.3	-54.7	-174.3	0	0	0	109.6	V700 T723 T726 L727	I682-V700 HydrophobicContact CD1-CG1 3.83Å; I682-V700 HydrophobicContact CG1-CG1 4.21Å; I682-T723 HydrophobicContact CD1-CG2 4.22Å; I682-T726 HydrophobicContact CD1-CG2 4.13Å; I682-T726 HydrophobicContact CG2-CG2 4.47Å; I682-L727 HydrophobicContact CD1-CD2 4.49Å; I682-L727 HydrophobicContact CD1-CG 4.33Å
683	S	54.8	Low	68.3	Low	86 Å²	86	79.1 Å²	79.1	60%	0.601	43%	0.433	S	S	*	.	S	Bend	trans	-118.3	108.8	175	58.5	0	0	0	0	111.2	N681 N685	N681-S683 PolarHBondContact O-N 3.22Å; N681-S683 VanDerWaalsContact O-N 3.15Å; S683-N685 PolarHBondContact O-N 2.97Å
684	D	48.9	Very low	67.2	Low	164 Å²	164	83 Å²	83	88%	0.877	46%	0.456	S	S	*	.	S	Bend	trans	53.7	-4.9	164.1	-57.9	-20.1	0	0	0	120.5
685	N	44.7	Very low	66.6	Low	133 Å²	133	85.7 Å²	85.7	71%	0.711	47%	0.467	S	S	*	.			trans	-136.4	116.7	166	-89.4	-66.4	0	0	0	111.5	S683 T687	S683-N685 PolarHBondContact O-N 2.97Å; N685-T687 PolarHBondContact O-N 3.48Å; N685-T687 VanDerWaalsContact O-N 3.1Å
686	P	48.1	Very low	66.2	Low	86 Å²	86	81.1 Å²	81.1	56%	0.558	45%	0.45	S	S	*	.			trans	-89.5	58.6	-171.5	37.1	-37.3	0	0	0	113.2	T726	P686-T726 HydrophobicContact CB-CG2 4.28Å
687	T	44.4	Very low	66.2	Low	129 Å²	129	79.5 Å²	79.5	79%	0.791	44%	0.443	S	S	*	.			trans	-96.3	90.2	168.2	15	0	0	0	0	110.3	N685	N685-T687 PolarHBondContact O-N 3.48Å; N685-T687 VanDerWaalsContact O-N 3.1Å
688	L	55	Low	66.4	Low	46 Å²	46	76.7 Å²	76.7	24%	0.241	43%	0.429	C	S	.	.			trans	-63.3	127.4	171.5	-68.4	160.7	0	0	0	109.4	L680 T726 E730	L680-L688 HydrophobicContact CD1-CD2 4.31Å; L688-T726 HydrophobicContact CD1-CG2 4.03Å; L688-T726 HydrophobicContact CD2-CG2 4.19Å; L688-T726 HydrophobicContact CG-CG2 4.16Å; L688-E730 HydrophobicContact CD1-CG 4.21Å
689	P	53.6	Low	66.7	Low	75 Å²	75	75.7 Å²	75.7	49%	0.487	42%	0.42	S	S	.	.			trans	-68.1	134.9	-177.8	25.6	-33.6	0	0	0	111.5	L680 S691 I692	L680-P689 HydrophobicContact CD2-CG 3.92Å; P689-S691 PolarHBondContact O-N 2.89Å; P689-I692 HydrophobicContact CG-CD1 4.01Å; P689-I692 HydrophobicContact CG-CG1 4.23Å; P689-I692 WeakPolarHBondContact O-CD1 3.37Å; P689-I692 WeakPolarHBondContact O-CG1 3.44Å
690	I	50.8	Low	67	Low	172 Å²	172	70.7 Å²	70.7	88%	0.882	40%	0.397	S	S	*	.	S	Bend	trans	-63.9	-3.3	-166.3	-62.2	161.2	0	0	0	114.4
691	S	53.8	Low	67.3	Low	80 Å²	80	73.6 Å²	73.6	56%	0.559	41%	0.407	S	S	*	.			trans	-125	59.2	-176.3	-170.7	0	0	0	0	112.7	P689	P689-S691 PolarHBondContact O-N 2.89Å
692	I	63.5	Low	67.8	Low	5 Å²	5	68.9 Å²	68.9	3%	0.026	38%	0.382	C	S	.	.			trans	-99.8	-18.5	168.5	-62.1	159.5	0	0	0	111.5	L680 P689 D694 K695 I698 E730	L680-I692 HydrophobicContact CD1-CD1 4.05Å; L680-I692 HydrophobicContact CD2-CD1 3.82Å; L680-I692 HydrophobicContact CD2-CG1 4.37Å; P689-I692 HydrophobicContact CG-CD1 4.01Å; P689-I692 HydrophobicContact CG-CG1 4.23Å; P689-I692 WeakPolarHBondContact O-CD1 3.37Å; P689-I692 WeakPolarHBondContact O-CG1 3.44Å; I692-D694 PolarHBondContact O-N 3.37Å; I692-K695 VanDerWaalsContact O-CB 3.25Å; I692-K695 WeakPolarHBondContact O-CB 3.35Å; I692-K695 VanDerWaalsContact O-CG 3.31Å; I692-K695 WeakPolarHBondContact O-CG 3.37Å; I692-K695 PolarHBondContact O-N 3.36Å; I692-I698 HydrophobicContact CG2-CD1 3.63Å; I692-E730 VanDerWaalsContact CD1-OE1 3.25Å; I692-E730 WeakPolarHBondContact CD1-OE1 3.29Å
693	Q	62.1	Low	68.7	Low	126 Å²	126	71 Å²	71	59%	0.589	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-24.7	-168.3	-63.8	-176.3	0.7	0	0	115.2	R922	Q693-R922 PolarHBondContact O-NH1 3.46Å; Q693-R922 PolarHBondContact O-NH2 2.98Å
694	D	69.9	Low	69.9	Low	136 Å²	136	70 Å²	70	73%	0.727	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.3	-1.2	178.3	-50.9	-61	0	0	0	114.1	I692	I692-D694 PolarHBondContact O-N 3.37Å
695	K	82.1	Confident	70.7	Confident	65 Å²	65	67.3 Å²	67.3	28%	0.283	37%	0.365	S	S	.	.			trans	-87.3	135.8	-168.8	-56.5	-69.9	178.9	167.7	0	111.4	D677 A678 I692 I698 R922	D677-K695 HydrophobicContact CB-CB 4.06Å; D677-K695 HydrophobicContact CB-CD 3.54Å; D677-K695 HydrophobicContact CB-CG 4.39Å; D677-K695 WeakPolarHBondContact O-CD 3.43Å; D677-K695 PolarHBondContact O-NZ 3.23Å; A678-K695 HydrophobicContact CB-CD 4.1Å; A678-K695 HydrophobicContact CB-CG 4.07Å; I692-K695 VanDerWaalsContact O-CB 3.25Å; I692-K695 WeakPolarHBondContact O-CB 3.35Å; I692-K695 VanDerWaalsContact O-CG 3.31Å; I692-K695 WeakPolarHBondContact O-CG 3.37Å; I692-K695 PolarHBondContact O-N 3.36Å; K695-I698 HydrophobicContact CB-CD1 4.06Å; K695-I698 HydrophobicContact CB-CG1 3.9Å; K695-R922 PolarHBondContact O-NE 2.97Å; K695-R922 PolarHBondContact O-NH2 3.2Å
696	T	84.6	Confident	71.3	Confident	41 Å²	41	66.7 Å²	66.7	25%	0.252	36%	0.362	S	S	.	.	S	Bend	trans	-101	-34.8	-175.5	68.3	0	0	0	0	113.2	D677 R922 V923	D677-T696 WeakPolarHBondContact OD2-CA 3.29Å; D677-T696 PolarHBondContact OD2-N 2.98Å; D677-T696 PolarHBondContact OD2-OG1 3.31Å; T696-R922 WeakPolarHBondContact O-CA 3.36Å; T696-V923 PolarHBondContact O-N 3.43Å
697	F	90.3	Very high	71.4	Confident	0 Å²	0	67.9 Å²	67.9	0%	0	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	105.6	-176.1	-155.1	-97.3	0	0	0	111	L660 I661 N664 P674 K675 F676 D677 V916 V923 V925	L660-F697 HydrophobicContact CD2-CB 3.69Å; L660-F697 HydrophobicContact CG-CB 4.1Å; I661-F697 HydrophobicContact CG1-CD2 4.24Å; N664-F697 HydrophobicContact CB-CE1 4.33Å; N664-F697 HydrophobicContact CB-CE2 4.33Å; N664-F697 HydrophobicContact CB-CZ 4.18Å; N664-F697 WeakPolarHBondContact ND2-CD1 3.34Å; N664-F697 WeakPolarHBondContact ND2-CE1 3.47Å; N664-F697 WeakPolarHBondContact ND2-CG 3.31Å; P674-F697 HydrophobicContact CB-CD1 4.46Å; P674-F697 HydrophobicContact CB-CE1 3.69Å; P674-F697 HydrophobicContact CB-CZ 4.33Å; P674-F697 HydrophobicContact CG-CE1 4.07Å; K675-F697 WeakPolarHBondContact O-CD1 3.41Å; F676-F697 CarbonylContact C-O 3.55Å; F676-F697 WeakPolarHBondContact CA-O 3.46Å; F676-F697 AromaticContact CD1-CD1 3.33Å; F676-F697 HydrophobicContact CD1-CD1 3.33Å; F676-F697 AromaticContact CD1-CE1 3.62Å; F676-F697 HydrophobicContact CD1-CE1 3.62Å; F676-F697 HydrophobicContact CD1-CG 4.46Å; F676-F697 AromaticContact CE1-CD1 3.59Å; F676-F697 HydrophobicContact CE1-CD1 3.59Å; F676-F697 AromaticContact CE1-CE1 3.32Å; F676-F697 HydrophobicContact CE1-CE1 3.32Å; F676-F697 HydrophobicContact CE1-CZ 4.41Å; F676-F697 HydrophobicContact CG-CD1 4.23Å; F676-F697 HydrophobicContact CZ-CE1 4.12Å; D677-F697 PolarHBondContact N-O 3.07Å; D677-F697 PolarHBondContact OD2-N 2.68Å; F697-V916 HydrophobicContact CE2-CB 4.46Å; F697-V916 HydrophobicContact CE2-CG1 3.78Å; F697-V916 HydrophobicContact CE2-CG2 3.89Å; F697-V916 HydrophobicContact CZ-CG1 4.28Å; F697-V916 HydrophobicContact CZ-CG2 3.79Å; F697-V923 WeakPolarHBondContact CA-O 3.34Å; F697-V923 HydrophobicContact CD2-CB 3.78Å; F697-V923 HydrophobicContact CD2-CG1 4.17Å; F697-V923 HydrophobicContact CE2-CB 3.8Å; F697-V923 HydrophobicContact CE2-CG1 3.69Å; F697-V923 HydrophobicContact CE2-CG2 4.46Å; F697-V923 HydrophobicContact CZ-CG1 4.41Å; F697-V925 HydrophobicContact CE1-CG2 4.22Å; F697-V925 HydrophobicContact CZ-CG2 3.91Å
698	I	91	Very high	71.7	Confident	0 Å²	0	66.7 Å²	66.7	0%	0	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	129.9	-165.7	-59.5	159.7	0	0	0	110	L680 I692 K695 V700 R922 V923 Y924 V925	L680-I698 HydrophobicContact CD1-CG2 4.02Å; L680-I698 HydrophobicContact CG-CG2 4.13Å; I692-I698 HydrophobicContact CG2-CD1 3.63Å; K695-I698 HydrophobicContact CB-CD1 4.06Å; K695-I698 HydrophobicContact CB-CG1 3.9Å; I698-V700 HydrophobicContact CG2-CG2 4.45Å; I698-R922 HydrophobicContact CD1-CG 4.43Å; I698-V923 PolarHBondContact N-O 2.98Å; I698-Y924 HydrophobicContact CB-CD1 3.85Å; I698-Y924 HydrophobicContact CB-CE1 4.21Å; I698-Y924 HydrophobicContact CB-CG 4.43Å; I698-Y924 HydrophobicContact CD1-CD1 3.92Å; I698-Y924 HydrophobicContact CD1-CE1 3.44Å; I698-Y924 VanDerWaalsContact CD1-CE1 3.44Å; I698-Y924 HydrophobicContact CD1-CE2 4.32Å; I698-Y924 HydrophobicContact CG1-CE1 4.43Å; I698-Y924 HydrophobicContact CG2-CD1 3.81Å; I698-Y924 HydrophobicContact CG2-CE1 4.09Å; I698-Y924 CarbonylContact O-C 3.44Å; I698-Y924 WeakPolarHBondContact O-CA 3.29Å; I698-V925 PolarHBondContact O-N 3.09Å
699	F	92.6	Very high	71.3	Confident	0 Å²	0	66.4 Å²	66.4	0%	0	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	137.2	169.6	-168.3	-140.8	0	0	0	110	F676 A678 E679 L680 R701 V925 A927 E929 L932	F676-F699 HydrophobicContact CB-CB 4.3Å; F676-F699 HydrophobicContact CD1-CB 3.58Å; F676-F699 VanDerWaalsContact CD1-N 3.34Å; F676-F699 HydrophobicContact CD2-CB 3.85Å; F676-F699 HydrophobicContact CD2-CG 4.32Å; F676-F699 HydrophobicContact CE1-CB 3.68Å; F676-F699 HydrophobicContact CE1-CD2 4.09Å; F676-F699 HydrophobicContact CE1-CG 4.19Å; F676-F699 HydrophobicContact CE2-CB 3.95Å; F676-F699 HydrophobicContact CE2-CD2 4.2Å; F676-F699 HydrophobicContact CE2-CG 4Å; F676-F699 HydrophobicContact CG-CB 3.66Å; F676-F699 HydrophobicContact CZ-CB 3.87Å; F676-F699 AromaticContact CZ-CD2 3.74Å; F676-F699 HydrophobicContact CZ-CD2 3.74Å; F676-F699 AromaticContact CZ-CG 3.93Å; F676-F699 HydrophobicContact CZ-CG 3.93Å; A678-F699 PolarHBondContact O-N 3.39Å; E679-F699 CarbonylContact C-O 3.56Å; E679-F699 WeakPolarHBondContact CA-O 3.36Å; E679-F699 HydrophobicContact CB-CB 4.25Å; E679-F699 HydrophobicContact CB-CD1 4.5Å; E679-F699 HydrophobicContact CG-CB 3.98Å; E679-F699 HydrophobicContact CG-CD1 4.36Å; L680-F699 PolarHBondContact N-O 2.63Å; F699-R701 HydrophobicContact CD1-CB 4.28Å; F699-R701 HydrophobicContact CE1-CB 3.86Å; F699-R701 HydrophobicContact CE1-CG 3.94Å; F699-R701 HydrophobicContact CZ-CB 4.36Å; F699-R701 HydrophobicContact CZ-CG 4.36Å; F699-V925 HydrophobicContact CD2-CB 4.46Å; F699-V925 VanDerWaalsContact CD2-O 3.32Å; F699-V925 WeakPolarHBondContact CD2-O 3.46Å; F699-A927 HydrophobicContact CE2-CB 3.99Å; F699-E929 HydrophobicContact CE1-CB 4.23Å; F699-E929 HydrophobicContact CE1-CG 4.14Å; F699-E929 HydrophobicContact CZ-CB 4Å; F699-E929 HydrophobicContact CZ-CG 4.12Å; F699-L932 HydrophobicContact CD2-CD2 4.27Å; F699-L932 HydrophobicContact CE2-CD2 3.84Å
700	V	90.9	Very high	70.7	Confident	0 Å²	0	71.9 Å²	71.9	0%	0	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	106.2	169.2	-169.4	0	0	0	0	107.5	L680 I682 I698 L702 T723 L727 Y924 V925 I926 A927	L680-V700 HydrophobicContact CB-CG1 4.39Å; L680-V700 HydrophobicContact CB-CG2 4.49Å; L680-V700 HydrophobicContact CD1-CG2 4.35Å; I682-V700 HydrophobicContact CD1-CG1 3.83Å; I682-V700 HydrophobicContact CG1-CG1 4.21Å; I698-V700 HydrophobicContact CG2-CG2 4.45Å; V700-L702 PolarHBondContact O-N 2.7Å; V700-T723 HydrophobicContact CG1-CG2 3.75Å; V700-L727 HydrophobicContact CG1-CD1 4.21Å; V700-L727 HydrophobicContact CG2-CD1 4.13Å; V700-L727 HydrophobicContact CG2-CD2 4.03Å; V700-Y924 HydrophobicContact CG2-CD1 4.16Å; V700-V925 PolarHBondContact N-O 2.84Å; V700-I926 HydrophobicContact CB-CB 4.47Å; V700-I926 HydrophobicContact CB-CG1 4.11Å; V700-I926 HydrophobicContact CG2-CG1 4.37Å; V700-I926 WeakPolarHBondContact O-CA 3.26Å; V700-A927 PolarHBondContact O-N 3.11Å
701	R	88.4	Confident	70.2	Confident	69 Å²	69	69.3 Å²	69.3	26%	0.26	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	118.2	-172.6	-167.3	-175.4	-166.9	97.3	14.9	109.8	L680 N681 F699 E704 E929	L680-R701 PolarHBondContact O-N 3.29Å; N681-R701 VanDerWaalsContact OD1-CB 3.27Å; N681-R701 WeakPolarHBondContact OD1-CB 3.42Å; N681-R701 WeakPolarHBondContact OD1-CD 3.38Å; F699-R701 HydrophobicContact CD1-CB 4.28Å; F699-R701 HydrophobicContact CE1-CB 3.86Å; F699-R701 HydrophobicContact CE1-CG 3.94Å; F699-R701 HydrophobicContact CZ-CB 4.36Å; F699-R701 HydrophobicContact CZ-CG 4.36Å; R701-E704 IonicContact NH2-OE1 3.88Å; R701-E929 IonicContact CZ-OE2 2.57Å; R701-E929 IonicContact NH1-OE2 2.63Å; R701-E929 PolarHBondContact NH1-OE2 3.37Å; R701-E929 IonicContact NH2-OE2 3.8Å; R701-E929 PolarHBondContact NH2-OE2 2.96Å
702	L	88.4	Confident	69.7	Low	3 Å²	3	68.6 Å²	68.6	2%	0.016	39%	0.389	C	S	.	.	P	Polyproline II helix	trans	-80	146.5	162.6	-61.4	176.8	0	0	0	109.1	V700 T723 I926 A927 E928	V700-L702 PolarHBondContact O-N 2.7Å; L702-T723 HydrophobicContact CD2-CG2 4.05Å; L702-T723 WeakPolarHBondContact CD2-OG1 3.25Å; L702-I926 HydrophobicContact CD1-CG2 4.08Å; L702-I926 HydrophobicContact CD2-CG2 3.89Å; L702-I926 HydrophobicContact CG-CG2 3.89Å; L702-A927 PolarHBondContact N-O 3.07Å; L702-E928 HydrophobicContact CB-CG 3.99Å
703	P	83.8	Confident	68.8	Low	75 Å²	75	77 Å²	77	49%	0.487	43%	0.426	S	S	.	.	P	Polyproline II helix	trans	-61	137	172.5	27.6	-34.2	0	0	0	110.3	C719	P703-C719 WeakPolarHBondContact CD-SG 3.5Å
704	E	80.6	Confident	68.3	Low	66 Å²	66	76 Å²	76	31%	0.308	43%	0.428	S	S	.	.	P	Polyproline II helix	trans	-69.5	144.7	173.2	-57.3	-72.7	165.2	0	0	109.6	R701 D706 E929 S930	R701-E704 IonicContact NH2-OE1 3.88Å; E704-D706 PolarHBondContact O-N 3.38Å; E704-E929 WeakPolarHBondContact OE1-CA 3.34Å; E704-E929 WeakPolarHBondContact OE1-CB 3.5Å; E704-E929 PolarHBondContact OE1-N 3.13Å; E704-S930 PolarHBondContact OE1-N 3.09Å; E704-S930 WeakPolarHBondContact OE2-CB 3.46Å; E704-S930 PolarHBondContact OE2-OG 3.3Å
705	E	66.8	Low	68.2	Low	106 Å²	106	74.9 Å²	74.9	50%	0.495	42%	0.423	S	S	.	.			trans	-85.2	103.4	173.7	-82.9	173.2	-170.3	0	0	110.1	A707 K903	E705-A707 PolarHBondContact O-N 2.58Å; E705-K903 IonicContact OE1-NZ 2.71Å; E705-K903 PolarHBondContact OE1-NZ 2.98Å; E705-K903 IonicContact OE2-NZ 2.7Å; E705-K903 PolarHBondContact OE2-NZ 3.23Å
706	D	55.7	Low	67.7	Low	120 Å²	120	72.6 Å²	72.6	64%	0.642	41%	0.413	S	S	*	.			trans	-61.5	121	174.4	-83.1	-38	0	0	0	111.7	E704 S708 S709	E704-D706 PolarHBondContact O-N 3.38Å; D706-S708 PolarHBondContact O-N 2.92Å; D706-S708 VanDerWaalsContact O-N 3.13Å; D706-S709 PolarHBondContact O-OG 2.75Å
707	A	51.8	Low	67.6	Low	111 Å²	111	74 Å²	74	92%	0.917	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-8.7	-178	0	0	0	0	0	114.2	E705	E705-A707 PolarHBondContact O-N 2.58Å
708	S	49.6	Very low	67.2	Low	104 Å²	104	78 Å²	78	73%	0.727	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.6	-21.1	-173.9	52.1	0	0	0	0	114.4	D706	D706-S708 PolarHBondContact O-N 2.92Å; D706-S708 VanDerWaalsContact O-N 3.13Å
709	S	46.2	Very low	66.8	Low	41 Å²	41	79.1 Å²	79.1	29%	0.287	45%	0.452	S	S	.	.			trans	-103	82.2	-171.2	52	0	0	0	0	113.1	D706 S711 S712	D706-S709 PolarHBondContact O-OG 2.75Å; S709-S711 PolarHBondContact O-N 2.8Å; S709-S712 PolarHBondContact O-N 3.19Å
710	Q	42.9	Very low	66.5	Low	189 Å²	189	79.1 Å²	79.1	88%	0.883	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-14.3	179.1	-64.3	-168.8	5.9	0	0	114.7
711	S	39.8	Very low	66.3	Low	119 Å²	119	82.4 Å²	82.4	83%	0.832	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-16.4	-176.2	48	0	0	0	0	115.3	S709	S709-S711 PolarHBondContact O-N 2.8Å
712	S	41.8	Very low	66.2	Low	64 Å²	64	81.6 Å²	81.6	45%	0.448	47%	0.47	S	S	.	.			trans	-133.5	70.2	-174	56.6	0	0	0	0	112.5	S709 T714	S709-S712 PolarHBondContact O-N 3.19Å; S712-T714 PolarHBondContact O-N 3.09Å; S712-T714 PolarHBondContact O-OG1 2.89Å
713	K	45.2	Very low	66.1	Low	183 Å²	183	81.5 Å²	81.5	80%	0.796	47%	0.469	S	S	*	.			trans	-73.3	71.3	162.4	-71.3	-177.7	178.4	176.1	0	110.3	N715	K713-N715 VanDerWaalsContact C-N 3.3Å; K713-N715 PolarHBondContact O-N 3.41Å
714	T	51.5	Low	66.4	Low	104 Å²	104	77.9 Å²	77.9	64%	0.638	45%	0.446	S	S	*	.			trans	-61.8	93.1	163.9	24.8	0	0	0	0	108.2	S712 H716	S712-T714 PolarHBondContact O-N 3.09Å; S712-T714 PolarHBondContact O-OG1 2.89Å; T714-H716 PolarHBondContact O-N 3.17Å
715	N	67.5	Low	66.7	Low	113 Å²	113	81 Å²	81	60%	0.604	46%	0.458	S	S	*	.			trans	-49.4	117.9	-174.5	-67.3	-55.1	0	0	0	110.7	K713 H717 S718 C719	K713-N715 VanDerWaalsContact C-N 3.3Å; K713-N715 PolarHBondContact O-N 3.41Å; N715-H717 PolarHBondContact O-N 3.41Å; N715-S718 WeakPolarHBondContact O-CA 3.35Å; N715-S718 VanDerWaalsContact O-CB 3.28Å; N715-S718 WeakPolarHBondContact O-CB 3.44Å; N715-S718 PolarHBondContact O-N 3.33Å; N715-C719 PolarHBondContact O-N 2.83Å
716	H	73.3	Confident	67.5	Low	17 Å²	17	76.8 Å²	76.8	8%	0.079	44%	0.44	C	S	.	.	H	α-helix	trans	-44.7	-38.4	177.7	168.4	100.9	0	0	0	113.2	T714 S718 C719 L720 R745 E928	T714-H716 PolarHBondContact O-N 3.17Å; H716-S718 PolarHBondContact O-N 2.71Å; H716-C719 PolarHBondContact O-N 3.3Å; H716-L720 WeakPolarHBondContact O-CB 3.45Å; H716-L720 PolarHBondContact O-N 3.01Å; H716-R745 PolarHBondContact CD2-NH2 2.98Å; H716-R745 PolarHBondContact NE2-NH2 3.04Å; H716-E928 IonicContact CE1-OE1 2.95Å; H716-E928 PolarHBondContact CE1-OE1 2.79Å; H716-E928 IonicContact CG-OE1 2.68Å; H716-E928 IonicContact ND1-OE1 3.39Å; H716-E928 PolarHBondContact ND1-OE1 3.39Å
717	H	80.9	Confident	69	Low	71 Å²	71	71 Å²	71	33%	0.329	41%	0.409	S	S	.	.	H	α-helix	trans	-58.4	-41.1	172.6	-72.5	-76.6	0	0	0	114.1	N715 Y721 L751	N715-H717 PolarHBondContact O-N 3.41Å; H717-Y721 WeakPolarHBondContact O-CB 3.31Å; H717-Y721 PolarHBondContact O-N 3.45Å; H717-L751 HydrophobicContact CB-CD1 3.52Å; H717-L751 WeakPolarHBondContact O-CD1 3.31Å
718	S	82.9	Confident	70.6	Confident	82 Å²	82	65.8 Å²	65.8	57%	0.573	37%	0.365	S	S	*	.	H	α-helix	trans	-68	-37.9	177.8	-167.3	0	0	0	0	112.2	N715 H716 Y721 S722	N715-S718 WeakPolarHBondContact O-CA 3.35Å; N715-S718 VanDerWaalsContact O-CB 3.28Å; N715-S718 WeakPolarHBondContact O-CB 3.44Å; N715-S718 PolarHBondContact O-N 3.33Å; H716-S718 PolarHBondContact O-N 2.71Å; S718-Y721 PolarHBondContact O-N 2.9Å; S718-S722 PolarHBondContact O-N 3.36Å; S718-S722 PolarHBondContact O-OG 2.78Å
719	C	83.3	Confident	72.1	Confident	24 Å²	24	66.4 Å²	66.4	16%	0.162	36%	0.357	C	S	.	.	H	α-helix	trans	-73.4	-37.8	176.9	-174.7	0	0	0	0	111.9	P703 N715 H716 Y721 S722 T723	P703-C719 WeakPolarHBondContact CD-SG 3.5Å; N715-C719 PolarHBondContact O-N 2.83Å; H716-C719 PolarHBondContact O-N 3.3Å; C719-Y721 VanDerWaalsContact C-N 3.3Å; C719-Y721 PolarHBondContact O-N 3.2Å; C719-S722 PolarHBondContact O-N 3.16Å; C719-S722 PolarHBondContact O-OG 3.04Å; C719-T723 WeakPolarHBondContact O-CB 3.07Å; C719-T723 PolarHBondContact O-N 3.21Å; C719-T723 PolarHBondContact O-OG1 3.09Å
720	L	85.8	Confident	73.5	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-60.4	-41.6	170	179.2	60.2	0	0	0	111	H716 T723 V724 D748 L751 V900 I926	H716-L720 WeakPolarHBondContact O-CB 3.45Å; H716-L720 PolarHBondContact O-N 3.01Å; L720-T723 PolarHBondContact O-N 3.04Å; L720-V724 HydrophobicContact CD1-CG2 3.98Å; L720-V724 HydrophobicContact CG-CG2 4.43Å; L720-V724 WeakPolarHBondContact O-CB 3.48Å; L720-V724 WeakPolarHBondContact O-CG2 3.47Å; L720-V724 PolarHBondContact O-N 3.24Å; L720-D748 HydrophobicContact CD2-CB 4.38Å; L720-L751 HydrophobicContact CB-CD2 4.4Å; L720-L751 HydrophobicContact CD2-CD2 4.07Å; L720-L751 HydrophobicContact CG-CD2 3.99Å; L720-V900 HydrophobicContact CD1-CG1 3.67Å; L720-V900 HydrophobicContact CD1-CG2 4.3Å; L720-V900 HydrophobicContact CD2-CG1 4Å; L720-I926 HydrophobicContact CD1-CG2 4.15Å
721	Y	87.2	Confident	74.9	Confident	69 Å²	69	61.9 Å²	61.9	27%	0.271	34%	0.335	S	S	.	.	H	α-helix	trans	-64.6	-45.3	177.9	-171.4	-86.7	0	0	0	112.7	H717 S718 C719 K725 L751 C755 K758	H717-Y721 WeakPolarHBondContact O-CB 3.31Å; H717-Y721 PolarHBondContact O-N 3.45Å; S718-Y721 PolarHBondContact O-N 2.9Å; C719-Y721 VanDerWaalsContact C-N 3.3Å; C719-Y721 PolarHBondContact O-N 3.2Å; Y721-K725 WeakPolarHBondContact O-CB 3.5Å; Y721-K725 PolarHBondContact O-N 3.13Å; Y721-L751 HydrophobicContact CD2-CD2 4.19Å; Y721-L751 HydrophobicContact CD2-CG 4.28Å; Y721-C755 HydrophobicContact CD2-CB 3.93Å; Y721-C755 HydrophobicContact CE2-CB 3.65Å; Y721-K758 VanDerWaalsContact OH-CD 3.25Å; Y721-K758 WeakPolarHBondContact OH-CD 3.42Å; Y721-K758 PolarHBondContact OH-NZ 3.17Å
722	S	85.3	Confident	76.3	Confident	53 Å²	53	58.3 Å²	58.3	37%	0.371	31%	0.306	S	S	.	.	H	α-helix	trans	-65.6	-43.9	175.7	56.7	0	0	0	0	111.8	S718 C719 V724 K725 T726	S718-S722 PolarHBondContact O-N 3.36Å; S718-S722 PolarHBondContact O-OG 2.78Å; C719-S722 PolarHBondContact O-N 3.16Å; C719-S722 PolarHBondContact O-OG 3.04Å; S722-V724 PolarHBondContact O-N 2.83Å; S722-K725 PolarHBondContact O-N 3.17Å; S722-T726 PolarHBondContact O-N 3.5Å; S722-T726 PolarHBondContact O-OG1 3.39Å
723	T	86.9	Confident	78.1	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-54.8	-50.5	175.1	-66.1	0	0	0	0	111.7	I682 V700 L702 C719 L720 T726 L727 I926	I682-T723 HydrophobicContact CD1-CG2 4.22Å; V700-T723 HydrophobicContact CG1-CG2 3.75Å; L702-T723 HydrophobicContact CD2-CG2 4.05Å; L702-T723 WeakPolarHBondContact CD2-OG1 3.25Å; C719-T723 WeakPolarHBondContact O-CB 3.07Å; C719-T723 PolarHBondContact O-N 3.21Å; C719-T723 PolarHBondContact O-OG1 3.09Å; L720-T723 PolarHBondContact O-N 3.04Å; T723-T726 PolarHBondContact O-N 3.3Å; T723-L727 HydrophobicContact CG2-CD1 4.03Å; T723-L727 WeakPolarHBondContact O-CG 3.17Å; T723-L727 PolarHBondContact O-N 3.26Å; T723-I926 HydrophobicContact CG2-CD1 4.25Å; T723-I926 HydrophobicContact CG2-CG2 3.8Å
724	V	88.8	Confident	79.4	Confident	0 Å²	0	51 Å²	51	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-64.5	-42.9	177.7	169	0	0	0	0	111	L720 S722 T726 L727 L728 F741 I752 C755 I926	L720-V724 HydrophobicContact CD1-CG2 3.98Å; L720-V724 HydrophobicContact CG-CG2 4.43Å; L720-V724 WeakPolarHBondContact O-CB 3.48Å; L720-V724 WeakPolarHBondContact O-CG2 3.47Å; L720-V724 PolarHBondContact O-N 3.24Å; S722-V724 PolarHBondContact O-N 2.83Å; V724-T726 VanDerWaalsContact C-N 3.3Å; V724-T726 PolarHBondContact O-N 3.25Å; V724-L727 PolarHBondContact O-N 2.74Å; V724-L728 HydrophobicContact CG1-CD1 3.85Å; V724-L728 HydrophobicContact CG1-CG 4.27Å; V724-L728 WeakPolarHBondContact O-CB 3.45Å; V724-L728 VanDerWaalsContact O-CG 3.24Å; V724-L728 WeakPolarHBondContact O-CG 3.22Å; V724-L728 PolarHBondContact O-N 3.4Å; V724-F741 HydrophobicContact CG1-CE1 4.11Å; V724-F741 HydrophobicContact CG1-CZ 4.34Å; V724-F741 HydrophobicContact CG2-CE1 4.34Å; V724-I752 HydrophobicContact CG1-CG2 4.13Å; V724-I752 HydrophobicContact CG2-CG1 4.2Å; V724-C755 HydrophobicContact CG1-CB 4.02Å; V724-I926 HydrophobicContact CG2-CD1 4.26Å
725	K	87.1	Confident	80.6	Confident	131 Å²	131	49.7 Å²	49.7	57%	0.57	26%	0.257	S	S	*	.	H	α-helix	trans	-59.8	-38.4	177.3	-171.1	-172.6	175.2	-167.9	0	112.5	Y721 S722	Y721-K725 WeakPolarHBondContact O-CB 3.5Å; Y721-K725 PolarHBondContact O-N 3.13Å; S722-K725 PolarHBondContact O-N 3.17Å
726	T	84.8	Confident	81.2	Confident	17 Å²	17	44.8 Å²	44.8	10%	0.104	23%	0.232	C	C	.	.	H	α-helix	trans	-72.6	-44.3	175.4	-66	0	0	0	0	111.8	I682 P686 L688 S722 T723 V724 L728 Q729	I682-T726 HydrophobicContact CD1-CG2 4.13Å; I682-T726 HydrophobicContact CG2-CG2 4.47Å; P686-T726 HydrophobicContact CB-CG2 4.28Å; L688-T726 HydrophobicContact CD1-CG2 4.03Å; L688-T726 HydrophobicContact CD2-CG2 4.19Å; L688-T726 HydrophobicContact CG-CG2 4.16Å; S722-T726 PolarHBondContact O-N 3.5Å; S722-T726 PolarHBondContact O-OG1 3.39Å; T723-T726 PolarHBondContact O-N 3.3Å; V724-T726 VanDerWaalsContact C-N 3.3Å; V724-T726 PolarHBondContact O-N 3.25Å; T726-L728 VanDerWaalsContact C-N 3.29Å; T726-L728 PolarHBondContact O-N 2.81Å; T726-Q729 VanDerWaalsContact O-CB 3.29Å; T726-Q729 WeakPolarHBondContact O-CB 3.45Å; T726-Q729 WeakPolarHBondContact O-CG 3.43Å; T726-Q729 PolarHBondContact O-N 3.04Å
727	L	85.7	Confident	81.7	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-62	-35.1	177	-72.9	170.5	0	0	0	112.8	L680 I682 V700 T723 V724 Q729 E730 L733 Y924 I926	L680-L727 HydrophobicContact CD1-CD2 4.33Å; I682-L727 HydrophobicContact CD1-CD2 4.49Å; I682-L727 HydrophobicContact CD1-CG 4.33Å; V700-L727 HydrophobicContact CG1-CD1 4.21Å; V700-L727 HydrophobicContact CG2-CD1 4.13Å; V700-L727 HydrophobicContact CG2-CD2 4.03Å; T723-L727 HydrophobicContact CG2-CD1 4.03Å; T723-L727 WeakPolarHBondContact O-CG 3.17Å; T723-L727 PolarHBondContact O-N 3.26Å; V724-L727 PolarHBondContact O-N 2.74Å; L727-Q729 PolarHBondContact O-N 3.28Å; L727-E730 VanDerWaalsContact O-CB 3.31Å; L727-E730 WeakPolarHBondContact O-CB 3.49Å; L727-E730 PolarHBondContact O-N 2.98Å; L727-L733 HydrophobicContact CB-CD1 4.07Å; L727-L733 WeakPolarHBondContact O-CD1 3.37Å; L727-Y924 HydrophobicContact CD2-CD1 4.31Å; L727-Y924 HydrophobicContact CD2-CE1 4.33Å; L727-I926 HydrophobicContact CD1-CD1 3.39Å; L727-I926 HydrophobicContact CD1-CG1 3.97Å
728	L	85.7	Confident	82.1	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-11.1	174.3	-74.7	168	0	0	0	113.5	V724 T726 Q734 F741 H759 Y760	V724-L728 HydrophobicContact CG1-CD1 3.85Å; V724-L728 HydrophobicContact CG1-CG 4.27Å; V724-L728 WeakPolarHBondContact O-CB 3.45Å; V724-L728 VanDerWaalsContact O-CG 3.24Å; V724-L728 WeakPolarHBondContact O-CG 3.22Å; V724-L728 PolarHBondContact O-N 3.4Å; T726-L728 VanDerWaalsContact C-N 3.29Å; T726-L728 PolarHBondContact O-N 2.81Å; L728-Q734 PolarHBondContact O-NE2 2.91Å; L728-F741 HydrophobicContact CD2-CE2 3.88Å; L728-F741 HydrophobicContact CD2-CZ 3.85Å; L728-F741 HydrophobicContact CG-CZ 4.25Å; L728-H759 HydrophobicContact CD1-CB 3.99Å; L728-H759 PolarHBondContact O-CE1 3.38Å; L728-H759 PolarHBondContact O-NE2 3.03Å; L728-H759 VanDerWaalsContact O-NE2 3.1Å; L728-Y760 HydrophobicContact CD2-CE1 4.42Å; L728-Y760 HydrophobicContact CD2-CE2 3.96Å; L728-Y760 WeakPolarHBondContact CD2-OH 3.44Å
729	Q	81.5	Confident	82.5	Confident	117 Å²	117	44.6 Å²	44.6	55%	0.547	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-14.5	172.9	-52.3	-175.5	-85.6	0	0	112.7	T726 L727 Q734	T726-Q729 VanDerWaalsContact O-CB 3.29Å; T726-Q729 WeakPolarHBondContact O-CB 3.45Å; T726-Q729 WeakPolarHBondContact O-CG 3.43Å; T726-Q729 PolarHBondContact O-N 3.04Å; L727-Q729 PolarHBondContact O-N 3.28Å; Q729-Q734 PolarHBondContact O-NE2 3.22Å
730	E	76.3	Confident	83	Confident	26 Å²	26	43.5 Å²	43.5	12%	0.121	22%	0.217	C	C	.	.	S	Bend	trans	-69.6	142.8	177.8	-71.3	-72.1	-175.2	0	0	112.8	L688 I692 L727 D732 L733 Q734	L688-E730 HydrophobicContact CD1-CG 4.21Å; I692-E730 VanDerWaalsContact CD1-OE1 3.25Å; I692-E730 WeakPolarHBondContact CD1-OE1 3.29Å; L727-E730 VanDerWaalsContact O-CB 3.31Å; L727-E730 WeakPolarHBondContact O-CB 3.49Å; L727-E730 PolarHBondContact O-N 2.98Å; E730-D732 VanDerWaalsContact C-N 3.26Å; E730-D732 PolarHBondContact O-N 3.48Å; E730-L733 PolarHBondContact O-N 3.31Å; E730-Q734 PolarHBondContact O-N 3.24Å; E730-Q734 VanDerWaalsContact O-N 3.1Å
731	N	71.3	Confident	83.4	Confident	110 Å²	110	43.6 Å²	43.6	59%	0.588	22%	0.218	S	C	*	.	H	α-helix	trans	-55.8	-38.2	-177.6	-71.8	-16.3	0	0	0	113	L733 Q734	N731-L733 PolarHBondContact O-N 2.81Å; N731-Q734 PolarHBondContact O-N 3.16Å
732	D	69.6	Low	83.8	Confident	43 Å²	43	40.4 Å²	40.4	23%	0.23	21%	0.205	C	C	.	.	H	α-helix	trans	-66	-22.3	179.5	-61	-46.9	0	0	0	113.8	E730 R922 Y924	E730-D732 VanDerWaalsContact C-N 3.26Å; E730-D732 PolarHBondContact O-N 3.48Å; D732-R922 IonicContact OD1-NH1 2.7Å; D732-R922 PolarHBondContact OD1-NH1 3.04Å; D732-R922 WeakPolarHBondContact OD2-CD 3.35Å; D732-R922 IonicContact OD2-CZ 2.67Å; D732-R922 IonicContact OD2-NE 3.14Å; D732-R922 IonicContact OD2-NH1 2.71Å; D732-R922 PolarHBondContact OD2-NH1 3.46Å; D732-Y924 PolarHBondContact OD2-OH 3.35Å
733	L	79.3	Confident	84.2	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-106.7	-10.2	-176.3	-62.5	179.8	0	0	0	112.6	L727 E730 N731 N735 F741 Y760 T896 V898	L727-L733 HydrophobicContact CB-CD1 4.07Å; L727-L733 WeakPolarHBondContact O-CD1 3.37Å; E730-L733 PolarHBondContact O-N 3.31Å; N731-L733 PolarHBondContact O-N 2.81Å; L733-N735 PolarHBondContact O-N 3.23Å; L733-F741 HydrophobicContact CD1-CZ 4.24Å; L733-Y760 VanDerWaalsContact O-CE1 3.32Å; L733-Y760 WeakPolarHBondContact O-CE1 3.38Å; L733-Y760 PolarHBondContact O-OH 3.46Å; L733-T896 HydrophobicContact CD2-CG2 3.87Å; L733-V898 HydrophobicContact CD1-CG2 4.03Å; L733-V898 HydrophobicContact CD2-CG2 3.8Å
734	Q	71.9	Confident	84.4	Confident	93 Å²	93	39.9 Å²	39.9	44%	0.435	20%	0.197	S	C	.	.	H	α-helix	trans	-56.2	-39.7	165.7	-65.1	-54	-41.3	0	0	111.5	L728 Q729 E730 N731 A736	L728-Q734 PolarHBondContact O-NE2 2.91Å; Q729-Q734 PolarHBondContact O-NE2 3.22Å; E730-Q734 PolarHBondContact O-N 3.24Å; E730-Q734 VanDerWaalsContact O-N 3.1Å; N731-Q734 PolarHBondContact O-N 3.16Å; Q734-A736 PolarHBondContact O-N 3.11Å
735	N	78.1	Confident	84.5	Confident	78 Å²	78	42 Å²	42	42%	0.417	21%	0.205	S	C	.	.			trans	-90.9	94.3	177.4	-168.4	-5.3	0	0	0	112.1	L733 K737 T738 S739	L733-N735 PolarHBondContact O-N 3.23Å; N735-K737 PolarHBondContact O-N 3.31Å; N735-K737 VanDerWaalsContact O-N 3.15Å; N735-K737 VanDerWaalsContact OD1-CB 3.25Å; N735-K737 WeakPolarHBondContact OD1-CB 3.26Å; N735-K737 PolarHBondContact OD1-N 2.84Å; N735-T738 PolarHBondContact O-N 3.36Å; N735-T738 PolarHBondContact O-OG1 3.28Å; N735-S739 PolarHBondContact O-OG 2.85Å
736	A	80.6	Confident	84.5	Confident	10 Å²	10	41.4 Å²	41.4	8%	0.083	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-8.2	174.7	0	0	0	0	0	114.9	Q734 S739 Y760 K779 W882	Q734-A736 PolarHBondContact O-N 3.11Å; A736-S739 WeakPolarHBondContact CA-OG 3.28Å; A736-Y760 HydrophobicContact CB-CD1 4.3Å; A736-Y760 HydrophobicContact CB-CD2 4.38Å; A736-Y760 HydrophobicContact CB-CE1 3.93Å; A736-Y760 HydrophobicContact CB-CE2 4.01Å; A736-K779 PolarHBondContact O-NZ 3.27Å; A736-W882 HydrophobicContact CB-CE3 3.9Å; A736-W882 HydrophobicContact CB-CZ3 3.52Å
737	K	83.8	Confident	84.6	Confident	109 Å²	109	46.8 Å²	46.8	47%	0.474	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-26.7	175	-56.7	-172.7	176.9	-170.8	0	112.7	N735 F839 M860	N735-K737 PolarHBondContact O-N 3.31Å; N735-K737 VanDerWaalsContact O-N 3.15Å; N735-K737 VanDerWaalsContact OD1-CB 3.25Å; N735-K737 WeakPolarHBondContact OD1-CB 3.26Å; N735-K737 PolarHBondContact OD1-N 2.84Å; K737-F839 HydrophobicContact CB-CZ 4.32Å; K737-F839 HydrophobicContact CG-CE1 4.18Å; K737-F839 HydrophobicContact CG-CE2 4.2Å; K737-F839 HydrophobicContact CG-CZ 3.84Å; K737-M860 HydrophobicContact CD-CE 4.11Å; K737-M860 HydrophobicContact CD-CG 4.42Å; K737-M860 HydrophobicContact CD-SD 3.93Å; K737-M860 PolarHBondContact NZ-SD 3.47Å; K737-M860 VanDerWaalsContact NZ-SD 3.37Å
738	T	87.5	Confident	84.8	Confident	53 Å²	53	46.8 Å²	46.8	33%	0.325	22%	0.223	S	C	.	.	S	Bend	trans	-108.9	8.6	-178.1	50.1	0	0	0	0	113.4	N735 T896	N735-T738 PolarHBondContact O-N 3.36Å; N735-T738 PolarHBondContact O-OG1 3.28Å; T738-T896 PolarHBondContact O-N 3.45Å
739	S	91.4	Very high	85.1	Confident	4 Å²	4	47 Å²	47	3%	0.028	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	148.9	-175.8	59.5	0	0	0	0	113	N735 A736 K779 T896	N735-S739 PolarHBondContact O-OG 2.85Å; A736-S739 WeakPolarHBondContact CA-OG 3.28Å; S739-K779 PolarHBondContact O-NZ 3.29Å; S739-T896 VanDerWaalsContact CA-O 3.28Å; S739-T896 WeakPolarHBondContact CA-O 3.44Å
740	Q	93.8	Very high	85.5	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	127.5	178.8	-177.8	71.1	63.3	0	0	111.9	I742 A881 W882 F889 E894 T896 V898	Q740-I742 HydrophobicContact CG-CG1 4.14Å; Q740-A881 PolarHBondContact NE2-O 3.29Å; Q740-W882 PolarHBondContact NE2-O 3.01Å; Q740-F889 HydrophobicContact CB-CE2 4.3Å; Q740-F889 HydrophobicContact CB-CZ 4.05Å; Q740-F889 HydrophobicContact CG-CD2 3.97Å; Q740-F889 HydrophobicContact CG-CE1 4.24Å; Q740-F889 HydrophobicContact CG-CE2 3.55Å; Q740-F889 HydrophobicContact CG-CG 4.49Å; Q740-F889 HydrophobicContact CG-CZ 3.7Å; Q740-E894 HydrophobicContact CB-CB 4.29Å; Q740-E894 HydrophobicContact CB-CG 4.02Å; Q740-T896 PolarHBondContact N-O 3.16Å; Q740-V898 PolarHBondContact O-N 3.5Å
741	F	95.3	Very high	86.1	Confident	3 Å²	3	45.5 Å²	45.5	1%	0.013	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	136.5	165.8	-67.3	-101.7	0	0	0	110.3	V724 L728 L733 I752 W882 A883 R884 V898	V724-F741 HydrophobicContact CG1-CE1 4.11Å; V724-F741 HydrophobicContact CG1-CZ 4.34Å; V724-F741 HydrophobicContact CG2-CE1 4.34Å; L728-F741 HydrophobicContact CD2-CE2 3.88Å; L728-F741 HydrophobicContact CD2-CZ 3.85Å; L728-F741 HydrophobicContact CG-CZ 4.25Å; L733-F741 HydrophobicContact CD1-CZ 4.24Å; F741-I752 HydrophobicContact CB-CG2 3.89Å; F741-I752 HydrophobicContact CD1-CG2 3.74Å; F741-I752 HydrophobicContact CD2-CG2 4.24Å; F741-I752 HydrophobicContact CE1-CG2 4.31Å; F741-I752 HydrophobicContact CG-CG2 3.7Å; F741-W882 WeakPolarHBondContact CB-O 3.45Å; F741-W882 PolarHBondContact N-O 2.98Å; F741-W882 VanDerWaalsContact N-O 3.15Å; F741-A883 HydrophobicContact CB-CB 3.76Å; F741-A883 WeakPolarHBondContact O-CA 3.33Å; F741-R884 PolarHBondContact O-N 2.91Å; F741-V898 CarbonylContact C-O 3.04Å; F741-V898 WeakPolarHBondContact CA-O 3.41Å; F741-V898 HydrophobicContact CD1-CB 3.62Å; F741-V898 HydrophobicContact CD1-CG1 3.56Å; F741-V898 HydrophobicContact CD1-CG2 4.24Å; F741-V898 HydrophobicContact CE1-CB 3.88Å; F741-V898 HydrophobicContact CE1-CG1 3.61Å; F741-V898 HydrophobicContact CE1-CG2 4.06Å; F741-V898 HydrophobicContact CG-CB 4.12Å; F741-V898 HydrophobicContact CZ-CG2 4.29Å
742	I	95.3	Very high	87.1	Confident	1 Å²	1	40.3 Å²	40.3	1%	0.005	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	132	178.5	-54.4	-179.1	0	0	0	108.4	Q740 R884 I886 F889 V897 V898 Y899 V900 R918	Q740-I742 HydrophobicContact CG-CG1 4.14Å; I742-R884 VanDerWaalsContact CA-O 3.31Å; I742-R884 WeakPolarHBondContact CA-O 3.13Å; I742-I886 HydrophobicContact CG2-CB 3.8Å; I742-I886 HydrophobicContact CG2-CG1 4.21Å; I742-F889 HydrophobicContact CD1-CD1 3.45Å; I742-F889 VanDerWaalsContact CD1-CD1 3.45Å; I742-F889 HydrophobicContact CD1-CE1 3.91Å; I742-F889 HydrophobicContact CD1-CG 4.17Å; I742-F889 HydrophobicContact CG1-CD1 4.17Å; I742-F889 HydrophobicContact CG1-CG 4.47Å; I742-V897 HydrophobicContact CD1-CG1 3.59Å; I742-V897 HydrophobicContact CD1-CG2 4.28Å; I742-V897 HydrophobicContact CG1-CG1 4.14Å; I742-V898 PolarHBondContact N-O 3.45Å; I742-Y899 HydrophobicContact CB-CD2 4.13Å; I742-Y899 HydrophobicContact CG2-CD2 3.97Å; I742-Y899 HydrophobicContact CG2-CE2 4.27Å; I742-Y899 CarbonylContact O-C 3.48Å; I742-Y899 WeakPolarHBondContact O-CA 3.49Å; I742-Y899 WeakPolarHBondContact O-CD2 3.26Å; I742-V900 PolarHBondContact O-N 2.79Å; I742-R918 HydrophobicContact CD1-CB 4.46Å
743	A	94.3	Very high	88.2	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	169.9	172.7	0	0	0	0	0	112.5	D748 I752 R884 T885 I886 V900	A743-D748 HydrophobicContact CB-CB 3.67Å; A743-I752 HydrophobicContact CB-CD1 4.43Å; A743-R884 PolarHBondContact N-O 2.76Å; A743-T885 CarbonylContact O-C 3.34Å; A743-T885 WeakPolarHBondContact O-CA 3.34Å; A743-I886 PolarHBondContact O-N 3.37Å; A743-V900 HydrophobicContact CB-CB 4.01Å
744	F	91.1	Very high	88.7	Confident	43 Å²	43	41.2 Å²	41.2	19%	0.189	20%	0.198	C	C	.	.	S	Bend	trans	-84.4	-47.9	173	-179.7	-91.8	0	0	0	112.7	I886 A904 R906 Q907 H911	F744-I886 HydrophobicContact CD2-CG2 4.46Å; F744-A904 HydrophobicContact CD1-CB 3.31Å; F744-A904 HydrophobicContact CE1-CB 3.53Å; F744-A904 HydrophobicContact CG-CB 4.25Å; F744-R906 HydrophobicContact CZ-CB 4.35Å; F744-Q907 HydrophobicContact CD1-CB 4.49Å; F744-Q907 HydrophobicContact CD2-CB 4.13Å; F744-Q907 HydrophobicContact CD2-CG 4.06Å; F744-Q907 HydrophobicContact CE2-CB 4.29Å; F744-Q907 HydrophobicContact CG-CB 4.24Å; F744-Q907 HydrophobicContact CG-CG 4.24Å; F744-H911 AromaticContact CD2-CD2 3.68Å; F744-H911 AromaticContact CD2-NE2 3.95Å; F744-H911 AromaticContact CE2-CD2 3.65Å; F744-H911 AromaticContact CE2-CE1 3.97Å; F744-H911 AromaticContact CE2-NE2 3.4Å; F744-H911 WeakPolarHBondContact CE2-NE2 3.44Å
745	R	89.3	Confident	89.5	Confident	45 Å²	45	36.9 Å²	36.9	17%	0.17	18%	0.178	C	C	.	.	S	Bend	trans	-91.1	142.9	-178	-46.7	176.2	-70.2	-161.4	6.7	110.2	H716 Q747 D748 C749 K903 A904	H716-R745 PolarHBondContact CD2-NH2 2.98Å; H716-R745 PolarHBondContact NE2-NH2 3.04Å; R745-Q747 VanDerWaalsContact C-N 3.32Å; R745-Q747 PolarHBondContact O-N 2.9Å; R745-D748 VanDerWaalsContact CB-OD2 3.23Å; R745-D748 WeakPolarHBondContact CB-OD2 3.44Å; R745-D748 WeakPolarHBondContact CG-OD2 3.5Å; R745-D748 IonicContact CZ-OD1 2.73Å; R745-D748 VanDerWaalsContact CZ-OD1 3.27Å; R745-D748 IonicContact CZ-OD2 3.93Å; R745-D748 PolarHBondContact N-OD2 2.98Å; R745-D748 VanDerWaalsContact NE-CG 3.32Å; R745-D748 IonicContact NE-OD1 2.73Å; R745-D748 PolarHBondContact NE-OD1 2.99Å; R745-D748 IonicContact NE-OD2 3.49Å; R745-D748 PolarHBondContact NE-OD2 3.12Å; R745-D748 IonicContact NH2-OD1 3.49Å; R745-D748 PolarHBondContact NH2-OD1 2.87Å; R745-D748 IonicContact NH2-OD2 2.9Å; R745-D748 WeakPolarHBondContact O-CB 3.27Å; R745-D748 PolarHBondContact O-N 3.27Å; R745-D748 VanDerWaalsContact O-N 3.14Å; R745-C749 PolarHBondContact O-N 3.01Å; R745-K903 PolarHBondContact NH1-O 3.39Å; R745-A904 HydrophobicContact CG-CB 4.25Å
746	R	87.2	Confident	90	Very high	117 Å²	117	33.2 Å²	33.2	44%	0.442	16%	0.158	S	C	.	.	H	α-helix	trans	-60	-42.4	174.3	-67.3	177.4	-176.6	177	-5.7	112	D36 D748 C749 D750 T885	D36-R746 IonicContact OD2-CZ 2.68Å; D36-R746 VanDerWaalsContact OD2-CZ 3.25Å; D36-R746 IonicContact OD2-NH1 2.66Å; D36-R746 PolarHBondContact OD2-NH1 2.93Å; D36-R746 IonicContact OD2-NH2 3.33Å; D36-R746 PolarHBondContact OD2-NH2 2.83Å; R746-D748 PolarHBondContact O-N 3.09Å; R746-D748 VanDerWaalsContact O-N 3.11Å; R746-C749 CarbonylContact O-C 3.56Å; R746-C749 WeakPolarHBondContact O-CA 3.33Å; R746-C749 VanDerWaalsContact O-CB 3.28Å; R746-C749 WeakPolarHBondContact O-CB 3.32Å; R746-C749 PolarHBondContact O-N 3.1Å; R746-D750 VanDerWaalsContact C-OD2 3.26Å; R746-D750 PolarHBondContact O-N 3.4Å; R746-T885 HydrophobicContact CG-CG2 3.68Å
747	Q	87.6	Confident	90.4	Very high	130 Å²	130	32.7 Å²	32.7	61%	0.607	15%	0.154	S	C	*	.	H	α-helix	trans	-55.1	-29.3	175.1	-68.1	169.2	-21.9	0	0	113.8	R745 L751	R745-Q747 VanDerWaalsContact C-N 3.32Å; R745-Q747 PolarHBondContact O-N 2.9Å; Q747-L751 WeakPolarHBondContact O-CB 3.32Å; Q747-L751 PolarHBondContact O-N 3.47Å
748	D	90.6	Very high	90.6	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-74.2	-45.4	173.2	-54.9	-32.7	0	0	0	110	L720 A743 R745 R746 D750 L751 I752	L720-D748 HydrophobicContact CD2-CB 4.38Å; A743-D748 HydrophobicContact CB-CB 3.67Å; R745-D748 VanDerWaalsContact CB-OD2 3.23Å; R745-D748 WeakPolarHBondContact CB-OD2 3.44Å; R745-D748 WeakPolarHBondContact CG-OD2 3.5Å; R745-D748 IonicContact CZ-OD1 2.73Å; R745-D748 VanDerWaalsContact CZ-OD1 3.27Å; R745-D748 IonicContact CZ-OD2 3.93Å; R745-D748 PolarHBondContact N-OD2 2.98Å; R745-D748 VanDerWaalsContact NE-CG 3.32Å; R745-D748 IonicContact NE-OD1 2.73Å; R745-D748 PolarHBondContact NE-OD1 2.99Å; R745-D748 IonicContact NE-OD2 3.49Å; R745-D748 PolarHBondContact NE-OD2 3.12Å; R745-D748 IonicContact NH2-OD1 3.49Å; R745-D748 PolarHBondContact NH2-OD1 2.87Å; R745-D748 IonicContact NH2-OD2 2.9Å; R745-D748 WeakPolarHBondContact O-CB 3.27Å; R745-D748 PolarHBondContact O-N 3.27Å; R745-D748 VanDerWaalsContact O-N 3.14Å; R746-D748 PolarHBondContact O-N 3.09Å; R746-D748 VanDerWaalsContact O-N 3.11Å; D748-D750 VanDerWaalsContact C-N 3.34Å; D748-D750 PolarHBondContact O-N 3Å; D748-L751 PolarHBondContact O-N 3.35Å; D748-I752 VanDerWaalsContact O-CD1 3.24Å; D748-I752 WeakPolarHBondContact O-CD1 3.46Å; D748-I752 WeakPolarHBondContact O-CG1 3.5Å; D748-I752 PolarHBondContact O-N 3.18Å
749	C	91.3	Very high	90.6	Very high	5 Å²	5	32 Å²	32	3%	0.034	15%	0.148	C	C	.	.	H	α-helix	trans	-58.8	-44	174.5	-54.7	0	0	0	0	112.3	R745 R746 L751 I752 N753 A883 R884 T885	R745-C749 PolarHBondContact O-N 3.01Å; R746-C749 CarbonylContact O-C 3.56Å; R746-C749 WeakPolarHBondContact O-CA 3.33Å; R746-C749 VanDerWaalsContact O-CB 3.28Å; R746-C749 WeakPolarHBondContact O-CB 3.32Å; R746-C749 PolarHBondContact O-N 3.1Å; C749-L751 PolarHBondContact O-N 2.95Å; C749-I752 PolarHBondContact O-N 2.91Å; C749-N753 WeakPolarHBondContact O-CB 3.39Å; C749-N753 VanDerWaalsContact O-CG 3.28Å; C749-N753 PolarHBondContact O-N 3.5Å; C749-N753 PolarHBondContact O-ND2 3.28Å; C749-N753 VanDerWaalsContact O-ND2 3.11Å; C749-A883 HydrophobicContact CB-CB 4.12Å; C749-R884 PolarHBondContact SG-O 2.91Å; C749-T885 PolarHBondContact SG-N 2.89Å; C749-T885 VanDerWaalsContact SG-N 3.42Å
750	D	88.9	Confident	90.4	Very high	85 Å²	85	34.6 Å²	34.6	46%	0.455	16%	0.157	S	C	.	.	H	α-helix	trans	-62.1	-44.9	-179.3	-58.4	-40.3	0	0	0	110.5	R746 D748 N753 D754	R746-D750 VanDerWaalsContact C-OD2 3.26Å; R746-D750 PolarHBondContact O-N 3.4Å; D748-D750 VanDerWaalsContact C-N 3.34Å; D748-D750 PolarHBondContact O-N 3Å; D750-N753 PolarHBondContact O-N 2.99Å; D750-D754 PolarHBondContact O-N 2.88Å
751	L	90.4	Very high	89.9	Confident	27 Å²	27	36.1 Å²	36.1	14%	0.141	17%	0.166	C	C	.	.	H	α-helix	trans	-64.9	-37.7	175.1	179	150.1	0	0	0	113.5	H717 L720 Y721 Q747 D748 C749 D754 C755	H717-L751 HydrophobicContact CB-CD1 3.52Å; H717-L751 WeakPolarHBondContact O-CD1 3.31Å; L720-L751 HydrophobicContact CB-CD2 4.4Å; L720-L751 HydrophobicContact CD2-CD2 4.07Å; L720-L751 HydrophobicContact CG-CD2 3.99Å; Y721-L751 HydrophobicContact CD2-CD2 4.19Å; Y721-L751 HydrophobicContact CD2-CG 4.28Å; Q747-L751 WeakPolarHBondContact O-CB 3.32Å; Q747-L751 PolarHBondContact O-N 3.47Å; D748-L751 PolarHBondContact O-N 3.35Å; C749-L751 PolarHBondContact O-N 2.95Å; L751-D754 WeakPolarHBondContact O-CB 3.5Å; L751-D754 PolarHBondContact O-N 3.39Å; L751-C755 PolarHBondContact O-N 2.88Å
752	I	91.6	Very high	89.2	Confident	0 Å²	0	39 Å²	39	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-71.2	-41	177	-61.5	156.5	0	0	0	109.8	V724 F741 A743 D748 C749 D754 C755 C756 A883 V900	V724-I752 HydrophobicContact CG1-CG2 4.13Å; V724-I752 HydrophobicContact CG2-CG1 4.2Å; F741-I752 HydrophobicContact CB-CG2 3.89Å; F741-I752 HydrophobicContact CD1-CG2 3.74Å; F741-I752 HydrophobicContact CD2-CG2 4.24Å; F741-I752 HydrophobicContact CE1-CG2 4.31Å; F741-I752 HydrophobicContact CG-CG2 3.7Å; A743-I752 HydrophobicContact CB-CD1 4.43Å; D748-I752 VanDerWaalsContact O-CD1 3.24Å; D748-I752 WeakPolarHBondContact O-CD1 3.46Å; D748-I752 WeakPolarHBondContact O-CG1 3.5Å; D748-I752 PolarHBondContact O-N 3.18Å; C749-I752 PolarHBondContact O-N 2.91Å; I752-D754 VanDerWaalsContact C-N 3.33Å; I752-D754 PolarHBondContact O-N 2.86Å; I752-C755 WeakPolarHBondContact O-CB 3.44Å; I752-C755 PolarHBondContact O-N 2.8Å; I752-C756 WeakPolarHBondContact O-CB 3.38Å; I752-C756 PolarHBondContact O-N 2.82Å; I752-C756 PolarHBondContact O-SG 2.9Å; I752-C756 VanDerWaalsContact O-SG 3.33Å; I752-A883 HydrophobicContact CB-CB 3.57Å; I752-A883 HydrophobicContact CD1-CB 4.19Å; I752-A883 HydrophobicContact CG2-CB 3.56Å; I752-V900 HydrophobicContact CD1-CB 4.46Å; I752-V900 HydrophobicContact CD1-CG2 3.75Å
753	N	92.5	Very high	88.6	Confident	7 Å²	7	41.3 Å²	41.3	4%	0.037	21%	0.208	C	C	.	.	H	α-helix	trans	-58.3	-44	172.6	-75.5	-39.4	0	0	0	111.3	C749 D750 C755 C756 C757 H880 W882 A883	C749-N753 WeakPolarHBondContact O-CB 3.39Å; C749-N753 VanDerWaalsContact O-CG 3.28Å; C749-N753 PolarHBondContact O-N 3.5Å; C749-N753 PolarHBondContact O-ND2 3.28Å; C749-N753 VanDerWaalsContact O-ND2 3.11Å; D750-N753 PolarHBondContact O-N 2.99Å; N753-C755 PolarHBondContact O-N 2.88Å; N753-C756 PolarHBondContact O-N 3.28Å; N753-C757 PolarHBondContact O-N 2.86Å; N753-H880 HydrophobicContact CB-CB 4.08Å; N753-H880 PolarHBondContact ND2-O 2.99Å; N753-W882 WeakPolarHBondContact OD1-CB 3.47Å; N753-W882 PolarHBondContact OD1-N 2.81Å; N753-W882 VanDerWaalsContact OD1-N 3.13Å; N753-A883 PolarHBondContact ND2-O 2.75Å; N753-A883 PolarHBondContact OD1-N 3.33Å
754	D	89.3	Confident	88	Confident	55 Å²	55	45.7 Å²	45.7	29%	0.294	23%	0.231	S	C	.	.	H	α-helix	trans	-57.7	-29.8	172.8	-84.8	16.6	0	0	0	113.9	D750 L751 I752 K758 N765	D750-D754 PolarHBondContact O-N 2.88Å; L751-D754 WeakPolarHBondContact O-CB 3.5Å; L751-D754 PolarHBondContact O-N 3.39Å; I752-D754 VanDerWaalsContact C-N 3.33Å; I752-D754 PolarHBondContact O-N 2.86Å; D754-K758 WeakPolarHBondContact O-CD 3.25Å; D754-K758 VanDerWaalsContact O-CE 3.23Å; D754-K758 WeakPolarHBondContact O-CE 3.37Å; D754-K758 WeakPolarHBondContact O-CG 3.18Å; D754-K758 PolarHBondContact O-NZ 3.45Å; D754-N765 VanDerWaalsContact OD1-CB 3.24Å; D754-N765 WeakPolarHBondContact OD1-CB 3.06Å; D754-N765 VanDerWaalsContact OD1-CG 3.29Å; D754-N765 PolarHBondContact OD1-ND2 3.09Å
755	C	89.2	Confident	87.4	Confident	3 Å²	3	44 Å²	44	2%	0.02	22%	0.224	C	C	.	.	H	α-helix	trans	-83.7	-39.8	176.5	-166.6	0	0	0	0	111.6	Y721 V724 L751 I752 N753 H759	Y721-C755 HydrophobicContact CD2-CB 3.93Å; Y721-C755 HydrophobicContact CE2-CB 3.65Å; V724-C755 HydrophobicContact CG1-CB 4.02Å; L751-C755 PolarHBondContact O-N 2.88Å; I752-C755 WeakPolarHBondContact O-CB 3.44Å; I752-C755 PolarHBondContact O-N 2.8Å; N753-C755 PolarHBondContact O-N 2.88Å; C755-H759 PolarHBondContact O-N 3.34Å
756	C	90	Very high	87	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-70.2	-43.3	-178.5	-70.5	0	0	0	0	113	I752 N753 K758 H759 Y760 W882	I752-C756 WeakPolarHBondContact O-CB 3.38Å; I752-C756 PolarHBondContact O-N 2.82Å; I752-C756 PolarHBondContact O-SG 2.9Å; I752-C756 VanDerWaalsContact O-SG 3.33Å; N753-C756 PolarHBondContact O-N 3.28Å; C756-K758 VanDerWaalsContact C-N 3.33Å; C756-K758 PolarHBondContact O-N 2.67Å; C756-H759 PolarHBondContact O-N 2.95Å; C756-Y760 HydrophobicContact CB-CD2 3.87Å; C756-Y760 HydrophobicContact CB-CE2 3.83Å; C756-Y760 VanDerWaalsContact O-CD2 3.27Å; C756-Y760 WeakPolarHBondContact O-CD2 3.4Å; C756-Y760 PolarHBondContact O-N 2.86Å; C756-W882 HydrophobicContact CB-CB 3.4Å; C756-W882 HydrophobicContact CB-CD2 3.89Å; C756-W882 HydrophobicContact CB-CG 3.37Å
757	C	88.1	Confident	86.5	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-55.8	-48.4	174.2	-70.6	0	0	0	0	111.2	N753 H759 T761 G762 H763 N765 H880 W882	N753-C757 PolarHBondContact O-N 2.86Å; C757-H759 PolarHBondContact O-N 2.92Å; C757-H759 VanDerWaalsContact O-N 3.08Å; C757-T761 CarbonylContact O-C 3.53Å; C757-T761 WeakPolarHBondContact O-CA 3.26Å; C757-T761 PolarHBondContact O-N 3.15Å; C757-T761 PolarHBondContact O-OG1 2.83Å; C757-G762 PolarHBondContact O-N 2.75Å; C757-H763 CarbonylContact C-O 3.57Å; C757-N765 HydrophobicContact CB-CB 4.32Å; C757-H880 VanDerWaalsContact SG-CE1 3.52Å; C757-W882 PolarHBondContact SG-NE1 3.12Å
758	K	87.7	Confident	85.7	Confident	80 Å²	80	44.5 Å²	44.5	35%	0.348	23%	0.233	S	C	.	.	H	α-helix	trans	-63	-18.5	178.3	-66.2	170.6	-168	144.5	0	114.1	Y721 D754 C756 H763 L764	Y721-K758 VanDerWaalsContact OH-CD 3.25Å; Y721-K758 WeakPolarHBondContact OH-CD 3.42Å; Y721-K758 PolarHBondContact OH-NZ 3.17Å; D754-K758 WeakPolarHBondContact O-CD 3.25Å; D754-K758 VanDerWaalsContact O-CE 3.23Å; D754-K758 WeakPolarHBondContact O-CE 3.37Å; D754-K758 WeakPolarHBondContact O-CG 3.18Å; D754-K758 PolarHBondContact O-NZ 3.45Å; C756-K758 VanDerWaalsContact C-N 3.33Å; C756-K758 PolarHBondContact O-N 2.67Å; K758-H763 WeakPolarHBondContact CA-O 3.34Å; K758-H763 PolarHBondContact N-O 3.03Å; K758-L764 HydrophobicContact CD-CD2 4.27Å; K758-L764 VanDerWaalsContact CE-CD2 3.45Å; K758-L764 HydrophobicContact CG-CD2 4.22Å
759	H	87.8	Confident	84.2	Confident	68 Å²	68	48.7 Å²	48.7	32%	0.315	25%	0.253	S	S	.	.	H	α-helix	trans	-96.5	-50.1	-179.7	-177	79.7	0	0	0	112.2	L728 C755 C756 C757	L728-H759 HydrophobicContact CD1-CB 3.99Å; L728-H759 PolarHBondContact O-CE1 3.38Å; L728-H759 PolarHBondContact O-NE2 3.03Å; L728-H759 VanDerWaalsContact O-NE2 3.1Å; C755-H759 PolarHBondContact O-N 3.34Å; C756-H759 PolarHBondContact O-N 2.95Å; C757-H759 PolarHBondContact O-N 2.92Å; C757-H759 VanDerWaalsContact O-N 3.08Å
760	Y	86.3	Confident	83.2	Confident	57 Å²	57	51.7 Å²	51.7	22%	0.224	27%	0.269	C	S	.	.	H	α-helix	trans	-86	-39.1	-175.5	-59.9	-62.2	0	0	0	113.8	L728 L733 A736 C756 W882	L728-Y760 HydrophobicContact CD2-CE1 4.42Å; L728-Y760 HydrophobicContact CD2-CE2 3.96Å; L728-Y760 WeakPolarHBondContact CD2-OH 3.44Å; L733-Y760 VanDerWaalsContact O-CE1 3.32Å; L733-Y760 WeakPolarHBondContact O-CE1 3.38Å; L733-Y760 PolarHBondContact O-OH 3.46Å; A736-Y760 HydrophobicContact CB-CD1 4.3Å; A736-Y760 HydrophobicContact CB-CD2 4.38Å; A736-Y760 HydrophobicContact CB-CE1 3.93Å; A736-Y760 HydrophobicContact CB-CE2 4.01Å; C756-Y760 HydrophobicContact CB-CD2 3.87Å; C756-Y760 HydrophobicContact CB-CE2 3.83Å; C756-Y760 VanDerWaalsContact O-CD2 3.27Å; C756-Y760 WeakPolarHBondContact O-CD2 3.4Å; C756-Y760 PolarHBondContact O-N 2.86Å; Y760-W882 AromaticContact CD2-CD2 3.87Å; Y760-W882 HydrophobicContact CD2-CD2 3.87Å; Y760-W882 AromaticContact CD2-CE3 3.36Å; Y760-W882 HydrophobicContact CD2-CE3 3.36Å; Y760-W882 AromaticContact CD2-CH2 3.75Å; Y760-W882 HydrophobicContact CD2-CH2 3.75Å; Y760-W882 HydrophobicContact CD2-CZ2 4.18Å; Y760-W882 AromaticContact CD2-CZ3 3.32Å; Y760-W882 HydrophobicContact CD2-CZ3 3.32Å; Y760-W882 HydrophobicContact CE2-CD2 4.23Å; Y760-W882 AromaticContact CE2-CE3 3.59Å; Y760-W882 HydrophobicContact CE2-CE3 3.59Å; Y760-W882 AromaticContact CE2-CZ3 3.88Å; Y760-W882 HydrophobicContact CE2-CZ3 3.88Å; Y760-W882 HydrophobicContact CG-CE3 4.28Å; Y760-W882 AromaticContact CG-CH2 3.96Å; Y760-W882 HydrophobicContact CG-CH2 3.96Å; Y760-W882 AromaticContact CG-CZ3 3.78Å; Y760-W882 HydrophobicContact CG-CZ3 3.78Å
761	T	83.8	Confident	82.4	Confident	32 Å²	32	49 Å²	49	20%	0.196	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.1	-3.5	-174.7	50.2	0	0	0	0	113.4	C757 H763 D778 W882	C757-T761 CarbonylContact O-C 3.53Å; C757-T761 WeakPolarHBondContact O-CA 3.26Å; C757-T761 PolarHBondContact O-N 3.15Å; C757-T761 PolarHBondContact O-OG1 2.83Å; T761-H763 WeakPolarHBondContact CB-NE2 3.43Å; T761-H763 PolarHBondContact O-CD2 2.8Å; T761-H763 PolarHBondContact O-N 3.4Å; T761-H763 PolarHBondContact OG1-CD2 3.18Å; T761-H763 PolarHBondContact OG1-NE2 2.91Å; T761-D778 WeakPolarHBondContact CG2-OD1 3.41Å; T761-D778 PolarHBondContact OG1-OD1 3.36Å; T761-W882 HydrophobicContact CG2-CH2 4.33Å; T761-W882 HydrophobicContact CG2-CZ2 4.13Å
762	G	80.6	Confident	81.9	Confident	65 Å²	65	49.5 Å²	49.5	67%	0.67	26%	0.255	S	S	*	.	S	Bend	trans	73.1	-10.5	171.2	0	0	0	0	0	115.9	C757	C757-G762 PolarHBondContact O-N 2.75Å
763	H	84.1	Confident	81.6	Confident	48 Å²	48	52 Å²	52	22%	0.222	27%	0.27	C	S	.	.	S	Bend	trans	-97.3	170.5	178.5	63.2	85.6	0	0	0	113.1	C757 K758 T761 D778	C757-H763 CarbonylContact C-O 3.57Å; K758-H763 WeakPolarHBondContact CA-O 3.34Å; K758-H763 PolarHBondContact N-O 3.03Å; T761-H763 WeakPolarHBondContact CB-NE2 3.43Å; T761-H763 PolarHBondContact O-CD2 2.8Å; T761-H763 PolarHBondContact O-N 3.4Å; T761-H763 PolarHBondContact OG1-CD2 3.18Å; T761-H763 PolarHBondContact OG1-NE2 2.91Å; H763-D778 IonicContact CE1-OD1 3.71Å; H763-D778 IonicContact CE1-OD2 3.81Å; H763-D778 PolarHBondContact CE1-OD2 2.98Å; H763-D778 IonicContact NE2-OD1 3.93Å; H763-D778 IonicContact NE2-OD2 3.77Å; H763-D778 PolarHBondContact NE2-OD2 3Å
764	L	80.9	Confident	81.4	Confident	93 Å²	93	52 Å²	52	49%	0.487	27%	0.27	S	S	.	.			trans	-74.7	142.7	169.5	-56.9	179.2	0	0	0	109.5	K758 K766	K758-L764 HydrophobicContact CD-CD2 4.27Å; K758-L764 VanDerWaalsContact CE-CD2 3.45Å; K758-L764 HydrophobicContact CG-CD2 4.22Å; L764-K766 WeakPolarHBondContact CB-O 3.39Å; L764-K766 PolarHBondContact O-N 3.43Å
765	N	79.1	Confident	81.3	Confident	7 Å²	7	49.9 Å²	49.9	4%	0.037	26%	0.261	C	S	.	.	S	Bend	trans	-59.2	-31.6	167.3	176.2	-1.8	0	0	0	110.9	D754 C757 L772 V773 H880	D754-N765 VanDerWaalsContact OD1-CB 3.24Å; D754-N765 WeakPolarHBondContact OD1-CB 3.06Å; D754-N765 VanDerWaalsContact OD1-CG 3.29Å; D754-N765 PolarHBondContact OD1-ND2 3.09Å; C757-N765 HydrophobicContact CB-CB 4.32Å; N765-L772 VanDerWaalsContact OD1-CD2 3.31Å; N765-L772 WeakPolarHBondContact OD1-CD2 3.31Å; N765-V773 PolarHBondContact O-N 3.38Å; N765-H880 PolarHBondContact OD1-CD2 2.83Å
766	K	80.6	Confident	81.2	Confident	54 Å²	54	54.5 Å²	54.5	24%	0.235	29%	0.285	C	S	.	.	B	Isolated β-bridge	trans	-130.2	148.7	-177.2	-64.1	-168.4	171.4	-150.1	0	114.5	L764 N770 R771 L772	L764-K766 WeakPolarHBondContact CB-O 3.39Å; L764-K766 PolarHBondContact O-N 3.43Å; K766-N770 WeakPolarHBondContact CD-O 3.28Å; K766-N770 WeakPolarHBondContact CD-OD1 3.49Å; K766-N770 PolarHBondContact NZ-ND2 3.24Å; K766-N770 VanDerWaalsContact NZ-ND2 3.13Å; K766-N770 PolarHBondContact NZ-O 3.42Å; K766-N770 VanDerWaalsContact NZ-O 3.17Å; K766-N770 PolarHBondContact NZ-OD1 3.32Å; K766-R771 WeakPolarHBondContact CA-O 3.3Å; K766-R771 WeakPolarHBondContact CB-O 3.38Å; K766-L772 HydrophobicContact CG-CD2 4.18Å
767	D	75.4	Confident	81.1	Confident	52 Å²	52	56.1 Å²	56.1	28%	0.278	30%	0.301	S	S	.	.			trans	-80.7	-179.4	173.4	78.5	-10.2	0	0	0	112.7	Q769 N770 R771 V773	D767-Q769 PolarHBondContact O-N 3.14Å; D767-Q769 VanDerWaalsContact O-N 3.14Å; D767-Q769 VanDerWaalsContact OD1-CA 3.25Å; D767-Q769 WeakPolarHBondContact OD1-CA 3.37Å; D767-Q769 WeakPolarHBondContact OD1-CB 3.27Å; D767-Q769 PolarHBondContact OD1-N 3.43Å; D767-N770 PolarHBondContact O-N 2.99Å; D767-N770 PolarHBondContact OD1-N 3.21Å; D767-R771 PolarHBondContact N-O 3.49Å; D767-R771 VanDerWaalsContact N-O 3.09Å; D767-R771 WeakPolarHBondContact OD1-CB 3.45Å; D767-R771 PolarHBondContact OD1-N 3.24Å; D767-R771 IonicContact OD2-NE 3.36Å; D767-V773 HydrophobicContact CB-CG2 3.95Å
768	H	71.3	Confident	81.2	Confident	196 Å²	196	56.1 Å²	56.1	91%	0.907	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-7.2	175.3	-59.1	-52.7	0	0	0	114.4
769	Q	60.5	Low	81.4	Confident	88 Å²	88	52.5 Å²	52.5	41%	0.411	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.2	7.8	177.4	-51.4	-171	26.1	0	0	112.6	D767 R771	D767-Q769 PolarHBondContact O-N 3.14Å; D767-Q769 VanDerWaalsContact O-N 3.14Å; D767-Q769 VanDerWaalsContact OD1-CA 3.25Å; D767-Q769 WeakPolarHBondContact OD1-CA 3.37Å; D767-Q769 WeakPolarHBondContact OD1-CB 3.27Å; D767-Q769 PolarHBondContact OD1-N 3.43Å; Q769-R771 HydrophobicContact CB-CG 4.17Å; Q769-R771 PolarHBondContact O-N 2.95Å
770	N	68.2	Low	81.6	Confident	69 Å²	69	49.3 Å²	49.3	37%	0.369	27%	0.271	S	S	.	.	S	Bend	trans	67.9	12.7	-177.1	-156.8	48.3	0	0	0	115	D32 K766 D767	D32-N770 PolarHBondContact OD1-ND2 2.72Å; D32-N770 PolarHBondContact OD2-ND2 3.46Å; K766-N770 WeakPolarHBondContact CD-O 3.28Å; K766-N770 WeakPolarHBondContact CD-OD1 3.49Å; K766-N770 PolarHBondContact NZ-ND2 3.24Å; K766-N770 VanDerWaalsContact NZ-ND2 3.13Å; K766-N770 PolarHBondContact NZ-O 3.42Å; K766-N770 VanDerWaalsContact NZ-O 3.17Å; K766-N770 PolarHBondContact NZ-OD1 3.32Å; D767-N770 PolarHBondContact O-N 2.99Å; D767-N770 PolarHBondContact OD1-N 3.21Å
771	R	72.2	Confident	81.6	Confident	28 Å²	28	47.1 Å²	47.1	11%	0.106	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-73.4	149	172.3	-51.5	-177	-162.5	175.6	13.7	110.1	D25 D27 K766 D767 Q769	D25-R771 VanDerWaalsContact CG-NH2 3.35Å; D25-R771 IonicContact OD1-CZ 3.84Å; D25-R771 IonicContact OD1-NH1 3.03Å; D25-R771 PolarHBondContact OD1-NH1 3.38Å; D25-R771 IonicContact OD1-NH2 2.72Å; D25-R771 PolarHBondContact OD1-NH2 3.48Å; D25-R771 VanDerWaalsContact OD1-NH2 3.09Å; D25-R771 IonicContact OD2-NH2 3.46Å; D25-R771 PolarHBondContact OD2-NH2 2.94Å; D27-R771 VanDerWaalsContact CB-NH1 3.28Å; D27-R771 PolarHBondContact O-NH1 2.69Å; K766-R771 WeakPolarHBondContact CA-O 3.3Å; K766-R771 WeakPolarHBondContact CB-O 3.38Å; D767-R771 PolarHBondContact N-O 3.49Å; D767-R771 VanDerWaalsContact N-O 3.09Å; D767-R771 WeakPolarHBondContact OD1-CB 3.45Å; D767-R771 PolarHBondContact OD1-N 3.24Å; D767-R771 IonicContact OD2-NE 3.36Å; Q769-R771 HydrophobicContact CB-CG 4.17Å; Q769-R771 PolarHBondContact O-N 2.95Å
772	L	81.7	Confident	81.5	Confident	38 Å²	38	45.6 Å²	45.6	20%	0.199	25%	0.254	C	S	.	.	B	Isolated β-bridge	trans	-74.8	126	174.7	-62.5	174.3	0	0	0	110.7	N765 K766 F774 K879	N765-L772 VanDerWaalsContact OD1-CD2 3.31Å; N765-L772 WeakPolarHBondContact OD1-CD2 3.31Å; K766-L772 HydrophobicContact CG-CD2 4.18Å; L772-F774 HydrophobicContact CB-CE2 3.8Å; L772-F774 HydrophobicContact CB-CZ 3.83Å; L772-F774 HydrophobicContact CD1-CZ 3.99Å; L772-K879 HydrophobicContact CD1-CD 4.48Å; L772-K879 HydrophobicContact CD1-CG 4.08Å
773	V	84.8	Confident	81.3	Confident	53 Å²	53	44.7 Å²	44.7	32%	0.321	24%	0.236	S	C	.	.	P	Polyproline II helix	trans	-96.7	135.1	172.4	-179.9	0	0	0	0	108.5	N765 D767 H880	N765-V773 PolarHBondContact O-N 3.38Å; D767-V773 HydrophobicContact CB-CG2 3.95Å; V773-H880 PolarHBondContact O-CE1 3.3Å; V773-H880 PolarHBondContact O-NE2 3.1Å
774	F	88.8	Confident	80.5	Confident	5 Å²	5	47.6 Å²	47.6	2%	0.022	25%	0.245	C	C	.	.			trans	-126.1	144.4	175.3	-58	-78.4	0	0	0	109.1	L772 D778 I780 I840 R853 F869 M873 I878 H880	L772-F774 HydrophobicContact CB-CE2 3.8Å; L772-F774 HydrophobicContact CB-CZ 3.83Å; L772-F774 HydrophobicContact CD1-CZ 3.99Å; F774-D778 VanDerWaalsContact CA-OD2 3.31Å; F774-D778 WeakPolarHBondContact CA-OD2 3.47Å; F774-I780 HydrophobicContact CD1-CG2 3.65Å; F774-I780 HydrophobicContact CE1-CG2 3.89Å; F774-I840 HydrophobicContact CB-CD1 3.87Å; F774-R853 PolarHBondContact O-NH2 3.25Å; F774-F869 AromaticContact CD2-CE2 3.87Å; F774-F869 HydrophobicContact CD2-CE2 3.87Å; F774-F869 HydrophobicContact CD2-CZ 4.1Å; F774-F869 HydrophobicContact CE2-CE2 4.48Å; F774-M873 HydrophobicContact CE2-CE 4.31Å; F774-M873 HydrophobicContact CE2-SD 3.92Å; F774-I878 HydrophobicContact CD1-CD1 4.22Å; F774-I878 HydrophobicContact CD2-CD1 4.13Å; F774-I878 HydrophobicContact CE1-CD1 4.12Å; F774-I878 HydrophobicContact CE1-CG1 4.36Å; F774-I878 HydrophobicContact CE2-CD1 4.02Å; F774-I878 HydrophobicContact CE2-CG1 4.09Å; F774-I878 HydrophobicContact CG-CD1 4.23Å; F774-I878 HydrophobicContact CZ-CD1 4.01Å; F774-I878 HydrophobicContact CZ-CG1 3.9Å; F774-H880 AromaticContact CD1-CE1 3.62Å; F774-H880 AromaticContact CD1-NE2 3.54Å; F774-H880 AromaticContact CE1-CD2 3.78Å; F774-H880 AromaticContact CE1-CE1 3.99Å; F774-H880 AromaticContact CE1-NE2 3.64Å
775	G	85.5	Confident	79.9	Confident	12 Å²	12	46.2 Å²	46.2	12%	0.124	24%	0.238	C	C	.	.			trans	-150	179	177.6	0	0	0	0	0	113.1	G777 D778 I840	G775-G777 PolarHBondContact O-N 3.02Å; G775-D778 PolarHBondContact N-OD2 3.13Å; G775-D778 WeakPolarHBondContact O-CB 3.43Å; G775-D778 PolarHBondContact O-N 3.4Å; G775-I840 WeakPolarHBondContact O-CB 3.32Å
776	I	88.4	Confident	79.5	Confident	100 Å²	100	46.2 Å²	46.2	51%	0.513	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	134.1	179.5	-61.2	174.7	0	0	0	110	T841 D843	I776-T841 WeakPolarHBondContact CG2-O 3.49Å; I776-D843 HydrophobicContact CD1-CB 4.06Å; I776-D843 HydrophobicContact CG1-CB 3.71Å
777	G	86.6	Confident	79.2	Confident	33 Å²	33	46.8 Å²	46.8	34%	0.34	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	94.1	-15.1	-175.7	0	0	0	0	0	114.8	G775 K779 I840 W882	G775-G777 PolarHBondContact O-N 3.02Å; G777-K779 PolarHBondContact O-N 3.39Å; G777-I840 PolarHBondContact N-O 2.94Å; G777-W882 WeakPolarHBondContact O-CH2 3.41Å
778	D	90.8	Very high	79.3	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.227	C	C	.	.			trans	-66.3	133.4	-175.7	-83.8	-38.7	0	0	0	113.4	T761 H763 F774 G775 I780 F839 I840 H880 W882	T761-D778 WeakPolarHBondContact CG2-OD1 3.41Å; T761-D778 PolarHBondContact OG1-OD1 3.36Å; H763-D778 IonicContact CE1-OD1 3.71Å; H763-D778 IonicContact CE1-OD2 3.81Å; H763-D778 PolarHBondContact CE1-OD2 2.98Å; H763-D778 IonicContact NE2-OD1 3.93Å; H763-D778 IonicContact NE2-OD2 3.77Å; H763-D778 PolarHBondContact NE2-OD2 3Å; F774-D778 VanDerWaalsContact CA-OD2 3.31Å; F774-D778 WeakPolarHBondContact CA-OD2 3.47Å; G775-D778 PolarHBondContact N-OD2 3.13Å; G775-D778 WeakPolarHBondContact O-CB 3.43Å; G775-D778 PolarHBondContact O-N 3.4Å; D778-I780 HydrophobicContact CB-CG2 4.17Å; D778-I780 PolarHBondContact O-N 3.1Å; D778-F839 WeakPolarHBondContact O-CA 3.47Å; D778-I840 HydrophobicContact CB-CD1 4.23Å; D778-I840 PolarHBondContact O-N 3.04Å; D778-I840 VanDerWaalsContact O-N 3.09Å; D778-H880 VanDerWaalsContact CG-CE1 3.45Å; D778-H880 IonicContact OD1-CE1 3.95Å; D778-H880 IonicContact OD1-ND1 3.62Å; D778-H880 IonicContact OD2-CE1 2.71Å; D778-H880 PolarHBondContact OD2-CE1 3.3Å; D778-W882 HydrophobicContact CB-CZ2 4.41Å; D778-W882 WeakPolarHBondContact OD1-CZ2 3.37Å
779	K	91.8	Very high	79.6	Confident	4 Å²	4	38 Å²	38	2%	0.017	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	103.4	170.2	-170.6	172.8	-178	167.6	0	109.5	A736 S739 G777 I837 F839 A881 W882	A736-K779 PolarHBondContact O-NZ 3.27Å; S739-K779 PolarHBondContact O-NZ 3.29Å; G777-K779 PolarHBondContact O-N 3.39Å; K779-I837 HydrophobicContact CD-CG2 4.48Å; K779-I837 HydrophobicContact CG-CG2 3.8Å; K779-F839 HydrophobicContact CB-CD1 4.02Å; K779-F839 HydrophobicContact CB-CE1 3.67Å; K779-F839 HydrophobicContact CB-CZ 4.33Å; K779-F839 HydrophobicContact CD-CE1 3.85Å; K779-F839 HydrophobicContact CD-CZ 3.79Å; K779-F839 HydrophobicContact CG-CD1 4.34Å; K779-F839 HydrophobicContact CG-CE1 3.69Å; K779-F839 HydrophobicContact CG-CZ 3.83Å; K779-A881 HydrophobicContact CG-CB 4.34Å; K779-A881 WeakPolarHBondContact O-CA 3.38Å; K779-A881 WeakPolarHBondContact O-CB 3.38Å; K779-A881 PolarHBondContact O-N 2.87Å; K779-W882 HydrophobicContact CB-CD2 3.72Å; K779-W882 HydrophobicContact CB-CE3 3.45Å; K779-W882 VanDerWaalsContact CB-CE3 3.45Å; K779-W882 HydrophobicContact CB-CG 4.5Å; K779-W882 HydrophobicContact CB-CH2 3.94Å; K779-W882 HydrophobicContact CB-CZ2 4.19Å; K779-W882 HydrophobicContact CB-CZ3 3.55Å; K779-W882 HydrophobicContact CD-CE3 3.97Å; K779-W882 HydrophobicContact CD-CZ3 4.42Å; K779-W882 HydrophobicContact CG-CE3 4.34Å
780	I	91.6	Very high	80.4	Confident	1 Å²	1	37 Å²	37	1%	0.005	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	164	-178.5	63.3	168.6	0	0	0	112.3	F774 D778 I837 F838 I840 I857 I878 K879	F774-I780 HydrophobicContact CD1-CG2 3.65Å; F774-I780 HydrophobicContact CE1-CG2 3.89Å; D778-I780 HydrophobicContact CB-CG2 4.17Å; D778-I780 PolarHBondContact O-N 3.1Å; I780-I837 WeakPolarHBondContact O-CA 3.13Å; I780-F838 HydrophobicContact CD1-CB 4.44Å; I780-F838 HydrophobicContact CG1-CB 4Å; I780-F838 WeakPolarHBondContact CG1-O 3.48Å; I780-F838 PolarHBondContact N-O 3.28Å; I780-F838 PolarHBondContact O-N 2.94Å; I780-I840 HydrophobicContact CD1-CD1 4.3Å; I780-I840 HydrophobicContact CD1-CG1 3.99Å; I780-I840 HydrophobicContact CG1-CG1 4.42Å; I780-I840 HydrophobicContact CG2-CD1 4.18Å; I780-I840 HydrophobicContact CG2-CG1 4.47Å; I780-I857 HydrophobicContact CD1-CG2 4.14Å; I780-I878 HydrophobicContact CD1-CB 4.43Å; I780-I878 HydrophobicContact CD1-CD1 3.81Å; I780-I878 HydrophobicContact CD1-CG2 4.27Å; I780-K879 CarbonylContact C-O 3.52Å; I780-K879 WeakPolarHBondContact CA-O 3.5Å
781	C	87.2	Confident	81	Confident	11 Å²	11	33.8 Å²	33.8	7%	0.074	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	146.5	169	67	0	0	0	0	111.8	E836 I878 K879 A881	C781-E836 VanDerWaalsContact CA-O 3.25Å; C781-E836 WeakPolarHBondContact CA-O 3.32Å; C781-E836 WeakPolarHBondContact CB-O 3.37Å; C781-I878 VanDerWaalsContact O-CA 3.3Å; C781-I878 WeakPolarHBondContact O-CA 3.25Å; C781-K879 PolarHBondContact N-O 3.33Å; C781-K879 PolarHBondContact O-N 3.47Å; C781-A881 HydrophobicContact CB-CB 3.74Å
782	C	81.1	Confident	81.4	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	137.3	172.1	-58.2	0	0	0	0	109.9	N834 G835 C876	C782-N834 WeakPolarHBondContact O-CA 3.44Å; C782-N834 PolarHBondContact O-OD1 3.47Å; C782-G835 PolarHBondContact O-N 3.3Å; C782-C876 HydrophobicContact CB-CB 4.1Å
783	T	76.3	Confident	81.1	Confident	46 Å²	46	35.9 Å²	35.9	28%	0.282	20%	0.2	S	C	.	.	S	Bend	trans	-98.2	-6.6	174.1	64.6	0	0	0	0	113.1	N834 C876 R877 K879	T783-N834 WeakPolarHBondContact CA-OD1 3.07Å; T783-N834 VanDerWaalsContact O-CG 3.24Å; T783-N834 PolarHBondContact O-ND2 2.88Å; T783-N834 PolarHBondContact O-OD1 2.9Å; T783-C876 PolarHBondContact N-O 3.32Å; T783-C876 PolarHBondContact OG1-O 3.46Å; T783-R877 WeakPolarHBondContact CB-O 3.49Å; T783-R877 WeakPolarHBondContact CG2-O 3.31Å; T783-R877 PolarHBondContact N-O 3.04Å; T783-R877 WeakPolarHBondContact OG1-CB 3.36Å; T783-R877 PolarHBondContact OG1-O 3.09Å; T783-K879 HydrophobicContact CG2-CD 4.45Å; T783-K879 HydrophobicContact CG2-CG 4.16Å
784	R	67.9	Low	80.3	Confident	109 Å²	109	38.7 Å²	38.7	41%	0.411	21%	0.21	S	C	.	.	S	Bend	trans	-137.3	154.8	177.7	-64.8	-179.3	171.9	-166.8	-5.6	110.4	Y875 C876	R784-Y875 WeakPolarHBondContact CB-O 3.44Å; R784-Y875 WeakPolarHBondContact CD-O 3.19Å; R784-C876 PolarHBondContact N-O 2.87Å; R784-C876 VanDerWaalsContact N-O 3.07Å
785	N	68.6	Low	78.1	Confident	65 Å²	65	44.5 Å²	44.5	35%	0.348	24%	0.242	S	C	.	.			trans	-87.4	132.2	175.2	-54.9	4.1	0	0	0	110	L832 N834	N785-L832 VanDerWaalsContact CA-O 3.28Å; N785-L832 WeakPolarHBondContact CA-O 3.42Å; N785-N834 WeakPolarHBondContact OD1-CB 3.4Å; N785-N834 PolarHBondContact OD1-N 3.47Å
786	A	69.5	Low	75.8	Confident	6 Å²	6	50.7 Å²	50.7	5%	0.05	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	157.6	171.7	0	0	0	0	0	110.7	L791 R831 L832 C876	A786-L791 HydrophobicContact CB-CD1 4.31Å; A786-R831 CarbonylContact O-C 3.59Å; A786-R831 WeakPolarHBondContact O-CA 3.28Å; A786-R831 WeakPolarHBondContact O-CG 3.27Å; A786-L832 PolarHBondContact N-O 2.9Å; A786-L832 PolarHBondContact O-N 3.47Å; A786-C876 VanDerWaalsContact CB-SG 3.54Å
787	Y	74.2	Confident	73.2	Confident	66 Å²	66	51.3 Å²	51.3	26%	0.259	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	149.4	172.4	-67.9	-85.6	0	0	0	110	S789 D790 R831	Y787-S789 VanDerWaalsContact CB-OG 3.32Å; Y787-S789 WeakPolarHBondContact CB-OG 3.42Å; Y787-S789 PolarHBondContact O-N 2.87Å; Y787-D790 PolarHBondContact N-OD2 3.36Å; Y787-D790 WeakPolarHBondContact O-CB 3.36Å; Y787-D790 PolarHBondContact O-N 3.47Å; Y787-D790 VanDerWaalsContact O-N 3.09Å; Y787-R831 HydrophobicContact CD1-CB 3.97Å; Y787-R831 HydrophobicContact CD1-CG 3.95Å; Y787-R831 HydrophobicContact CE1-CB 4.13Å; Y787-R831 HydrophobicContact CE1-CG 4.02Å; Y787-R831 HydrophobicContact CG-CG 4.3Å
788	L	78.6	Confident	70.6	Confident	3 Å²	3	53.2 Å²	53.2	2%	0.016	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-62.6	-35	-179.6	-176.2	61.1	0	0	0	111.3	D790 L791 L792 V830 V865 V867	L788-D790 PolarHBondContact O-N 3.27Å; L788-D790 VanDerWaalsContact O-N 3.12Å; L788-L791 WeakPolarHBondContact O-CB 3.25Å; L788-L791 PolarHBondContact O-N 2.75Å; L788-L792 HydrophobicContact CD1-CD2 4.4Å; L788-L792 HydrophobicContact CG-CD2 4.36Å; L788-L792 HydrophobicContact CG-CG 4.4Å; L788-L792 PolarHBondContact O-N 3.12Å; L788-V830 HydrophobicContact CB-CB 4.09Å; L788-V830 HydrophobicContact CB-CG1 4.42Å; L788-V830 WeakPolarHBondContact CB-O 3.38Å; L788-V830 HydrophobicContact CD2-CB 4.03Å; L788-V830 HydrophobicContact CD2-CG1 4.27Å; L788-V830 PolarHBondContact N-O 2.79Å; L788-V865 HydrophobicContact CD1-CB 4.05Å; L788-V865 HydrophobicContact CD1-CG1 4.2Å; L788-V865 HydrophobicContact CD1-CG2 3.9Å; L788-V865 HydrophobicContact CD2-CB 4.49Å; L788-V865 HydrophobicContact CD2-CG1 3.79Å; L788-V867 HydrophobicContact CD1-CG1 3.84Å
789	S	76.8	Confident	67.7	Low	61 Å²	61	57.9 Å²	57.9	43%	0.427	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-47.4	-36.7	170.5	53.7	0	0	0	0	114.1	Y787 L791	Y787-S789 VanDerWaalsContact CB-OG 3.32Å; Y787-S789 WeakPolarHBondContact CB-OG 3.42Å; Y787-S789 PolarHBondContact O-N 2.87Å; S789-L791 PolarHBondContact O-N 3.11Å
790	D	78.2	Confident	64.8	Low	68 Å²	68	67.1 Å²	67.1	36%	0.364	38%	0.379	S	S	.	.	G	3₁₀ helix	trans	-80.9	-8.2	-174	-46	-23.7	0	0	0	112	Y787 L788 K871 Y875	Y787-D790 PolarHBondContact N-OD2 3.36Å; Y787-D790 WeakPolarHBondContact O-CB 3.36Å; Y787-D790 PolarHBondContact O-N 3.47Å; Y787-D790 VanDerWaalsContact O-N 3.09Å; L788-D790 PolarHBondContact O-N 3.27Å; L788-D790 VanDerWaalsContact O-N 3.12Å; D790-K871 WeakPolarHBondContact O-CD 3.43Å; D790-Y875 HydrophobicContact CB-CD2 4.31Å; D790-Y875 HydrophobicContact CB-CE2 4.38Å; D790-Y875 WeakPolarHBondContact O-CE2 3.36Å
791	L	80.6	Confident	62	Low	0 Å²	0	75.8 Å²	75.8	0%	0	42%	0.419	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.7	-19.6	-167.5	-59.2	176.3	0	0	0	113.8	A786 L788 S789 L832 V867 D868 K871 L872 Y875	A786-L791 HydrophobicContact CB-CD1 4.31Å; L788-L791 WeakPolarHBondContact O-CB 3.25Å; L788-L791 PolarHBondContact O-N 2.75Å; S789-L791 PolarHBondContact O-N 3.11Å; L791-L832 HydrophobicContact CD1-CD1 3.37Å; L791-L832 HydrophobicContact CD1-CG 3.98Å; L791-V867 HydrophobicContact CB-CB 4.13Å; L791-V867 HydrophobicContact CB-CG1 3.76Å; L791-V867 WeakPolarHBondContact O-CA 3.49Å; L791-D868 PolarHBondContact O-N 3.49Å; L791-K871 HydrophobicContact CD2-CB 4.26Å; L791-L872 HydrophobicContact CD1-CD1 4.29Å; L791-L872 HydrophobicContact CD2-CD1 4.47Å; L791-Y875 HydrophobicContact CD2-CD2 4.03Å
792	L	81	Confident	59.2	Low	61 Å²	61	82.3 Å²	82.3	32%	0.319	45%	0.454	S	S	.	.	S	Bend	trans	-62.5	147.7	176.3	-67.6	173.8	0	0	0	111	L788 K871	L788-L792 HydrophobicContact CD1-CD2 4.4Å; L788-L792 HydrophobicContact CG-CD2 4.36Å; L788-L792 HydrophobicContact CG-CG 4.4Å; L788-L792 PolarHBondContact O-N 3.12Å; L792-K871 PolarHBondContact O-NZ 3.22Å
793	P	75.2	Confident	56.6	Low	49 Å²	49	88.9 Å²	88.9	32%	0.318	49%	0.489	S	S	.	.	P	Polyproline II helix	trans	-54.2	147.7	164.6	-23.8	34.9	0	0	0	111.1	N795	P793-N795 PolarHBondContact O-N 2.89Å
794	E	66.9	Low	54.3	Low	113 Å²	113	93.3 Å²	93.3	53%	0.528	51%	0.51	S	S	.	.	P	Polyproline II helix	trans	-69.7	118.6	168.6	-80.2	122.2	-131.4	0	0	109.6	I796 R852 K871	E794-I796 PolarHBondContact O-N 3.48Å; E794-R852 IonicContact OE2-NH1 3.98Å; E794-R852 IonicContact OE2-NH2 2.87Å; E794-K871 VanDerWaalsContact OE1-CE 3.27Å; E794-K871 WeakPolarHBondContact OE1-CE 3.29Å; E794-K871 IonicContact OE1-NZ 3.23Å; E794-K871 PolarHBondContact OE1-NZ 3.37Å
795	N	42.6	Very low	52.5	Low	127 Å²	127	95.3 Å²	95.3	68%	0.679	53%	0.529	S	S	*	.	P	Polyproline II helix	trans	-61.1	125.1	176.5	-75.5	-17.4	0	0	0	110.8	P793 S797	P793-N795 PolarHBondContact O-N 2.89Å; N795-S797 PolarHBondContact O-N 3.35Å
796	I	38.2	Very low	50.6	Low	142 Å²	142	98.8 Å²	98.8	73%	0.728	55%	0.547	S	S	*	.			trans	-78.2	64	171.7	-50.2	178.7	0	0	0	109.1	E794 G798	E794-I796 PolarHBondContact O-N 3.48Å; I796-G798 PolarHBondContact O-N 3.12Å
797	S	34.4	Very low	48.5	Very low	112 Å²	112	105.1 Å²	105.1	78%	0.783	59%	0.585	S	S	*	*			trans	-96.2	62.4	173.8	57.2	0	0	0	0	109.8	N795	N795-S797 PolarHBondContact O-N 3.35Å
798	G	31.3	Very low	46.3	Very low	73 Å²	73	107.5 Å²	107.5	75%	0.753	61%	0.612	S	S	*	*	S	Bend	trans	-152	5.3	-167.1	0	0	0	0	0	117.9	I796	I796-G798 PolarHBondContact O-N 3.12Å
799	S	30.4	Very low	43.8	Very low	98 Å²	98	111.2 Å²	111.2	69%	0.685	65%	0.651	S	S	*	*	S	Bend	trans	-160.8	54.5	-179.1	64.6	0	0	0	0	115.8
800	Q	31.1	Very low	41.5	Very low	198 Å²	198	117.2 Å²	117.2	93%	0.925	67%	0.672	S	S	*	*			trans	-166.1	67.7	156.5	-114.7	170.4	19.8	0	0	113.2
801	Q	32.5	Very low	39	Very low	183 Å²	183	121.4 Å²	121.4	86%	0.855	69%	0.694	S	S	*	*			trans	-132.9	138.1	154.5	-77.1	-170.4	-14.7	0	0	108.3
802	N	27.1	Very low	36.4	Very low	149 Å²	149	131.8 Å²	131.8	80%	0.797	74%	0.74	S	S	*	*			trans	95.4	92.3	-171	-55.9	-12.2	0	0	0	114.9
803	N	28	Very low	33.7	Very low	137 Å²	137	134.6 Å²	134.6	73%	0.733	77%	0.765	S	S	*	*				179.6	126.1	103.8	-84.7	2.2	0	0	0	109.9
804	D	28.3	Very low	31.3	Very low	139 Å²	139	135.4 Å²	135.4	74%	0.743	78%	0.782	S	S	*	*			trans	57.1	142.1	142	-46.8	-25.8	0	0	0	120.3
805	L	29.5	Very low	29.6	Very low	152 Å²	152	136.9 Å²	136.9	80%	0.796	80%	0.799	S	S	*	*			cis	-151.5	174.3	6.5	-153.1	78.4	0	0	0	110.5
806	D	27.7	Very low	28.8	Very low	138 Å²	138	137.9 Å²	137.9	74%	0.738	80%	0.803	S	S	*	*			trans	-63.8	149.9	-173.6	-51.2	-91.2	0	0	0	117.3
807	T	26.8	Very low	28.1	Very low	138 Å²	138	139.1 Å²	139.1	85%	0.847	81%	0.805	S	S	*	*				-167.6	112.5	126.1	9.2	0	0	0	0	114.6
808	S	27.7	Very low	27.6	Very low	117 Å²	117	139 Å²	139	82%	0.818	80%	0.796	S	S	*	*			trans	12.1	130.2	151.3	58.2	0	0	0	0	122.4
809	G	25.7	Very low	27.4	Very low	80 Å²	80	143.7 Å²	143.7	83%	0.825	80%	0.796	S	S	*	*			trans	170.2	80.5	160.6	0	0	0	0	0	117.4
810	E	28	Very low	27.3	Very low	188 Å²	188	141.9 Å²	141.9	88%	0.879	79%	0.787	S	S	*	*			trans	1.1	126.4	167.3	-63.6	174.9	164	0	0	122.4
811	D	26.9	Very low	27.1	Very low	155 Å²	155	139.1 Å²	139.1	83%	0.829	77%	0.772	S	S	*	*			trans	38	117.7	138.9	-62.6	-0.8	0	0	0	123.2
812	F	24.2	Very low	26.9	Very low	219 Å²	219	135.6 Å²	135.6	96%	0.961	76%	0.759	S	S	*	*				-157	155	118.1	-116.1	-79.6	0	0	0	110.3
813	S	25.8	Very low	27	Very low	120 Å²	120	135 Å²	135	84%	0.839	75%	0.749	S	S	*	*			trans	-122.6	145.7	-169.3	64.2	0	0	0	0	114.6
814	G	24.7	Very low	27.1	Very low	66 Å²	66	134 Å²	134	68%	0.68	74%	0.74	S	S	*	*			trans	157.9	119.2	169.7	0	0	0	0	0	116
815	T	29.9	Very low	27.3	Very low	143 Å²	143	132.4 Å²	132.4	88%	0.877	73%	0.731	S	S	*	*			trans	33.4	101.8	154.1	48.3	0	0	0	0	120
816	L	25.7	Very low	27.7	Very low	148 Å²	148	133 Å²	133	78%	0.775	73%	0.728	S	S	*	*			trans	-146.2	-6.1	159	-125.8	154.4	0	0	0	115.1
817	H	24.6	Very low	28.3	Very low	168 Å²	168	129.5 Å²	129.5	78%	0.778	71%	0.707	S	S	*	*	H	α-helix	trans	-83.2	-26.4	-167.2	-116.2	-57.5	0	0	0	116.4
818	D	24.3	Very low	29.1	Very low	111 Å²	111	125.2 Å²	125.2	59%	0.594	68%	0.683	S	S	*	*	H	α-helix	trans	-86.7	-26.1	-175.5	-69.3	-48.9	0	0	0	114.2	A820 K821 N822	D818-A820 VanDerWaalsContact C-N 3.26Å; D818-A820 PolarHBondContact O-N 3.04Å; D818-K821 PolarHBondContact O-N 2.68Å; D818-N822 PolarHBondContact O-N 2.81Å
819	F	26.4	Very low	30.4	Very low	171 Å²	171	125.8 Å²	125.8	75%	0.75	68%	0.677	S	S	*	*	H	α-helix	trans	-63	-31.7	176.4	-83.7	-83.4	0	0	0	112.8	K823	F819-K823 PolarHBondContact O-N 2.93Å
820	A	27.6	Very low	32.3	Very low	60 Å²	60	123.5 Å²	123.5	50%	0.496	65%	0.647	S	S	.	*	H	α-helix	trans	-69.4	-39	178.3	0	0	0	0	0	113	D818 H824	D818-A820 VanDerWaalsContact C-N 3.26Å; D818-A820 PolarHBondContact O-N 3.04Å; A820-H824 PolarHBondContact O-N 3.38Å
821	K	28	Very low	34.4	Very low	140 Å²	140	117.5 Å²	117.5	61%	0.609	62%	0.616	S	S	*	*	H	α-helix	trans	-65.6	-51.2	176.6	-80.1	179.2	175.8	170.6	0	111.6	D818 K823 H824 D825	D818-K821 PolarHBondContact O-N 2.68Å; K821-K823 PolarHBondContact O-N 2.94Å; K821-K823 VanDerWaalsContact O-N 3.13Å; K821-H824 PolarHBondContact O-N 2.95Å; K821-H824 VanDerWaalsContact O-N 3.1Å; K821-D825 PolarHBondContact O-N 3.46Å
822	N	27.1	Very low	36.7	Very low	108 Å²	108	110.1 Å²	110.1	58%	0.578	58%	0.577	S	S	*	*	H	α-helix	trans	-58	-31.6	-177.1	-73.5	-23.7	0	0	0	112.6	D818 F826	D818-N822 PolarHBondContact O-N 2.81Å; N822-F826 WeakPolarHBondContact O-CB 3.35Å; N822-F826 PolarHBondContact O-N 3.38Å; N822-F826 VanDerWaalsContact O-N 3.16Å
823	K	29.6	Very low	38.9	Very low	136 Å²	136	100.3 Å²	100.3	59%	0.591	54%	0.535	S	S	*	.	H	α-helix	trans	-70.6	-45.6	176	-165.8	172.1	178.9	-178.8	0	112.8	F819 K821 F826 E827	F819-K823 PolarHBondContact O-N 2.93Å; K821-K823 PolarHBondContact O-N 2.94Å; K821-K823 VanDerWaalsContact O-N 3.13Å; K823-F826 PolarHBondContact O-N 2.81Å; K823-E827 WeakPolarHBondContact CE-OE1 3.21Å; K823-E827 WeakPolarHBondContact O-CG 3.43Å; K823-E827 PolarHBondContact O-N 2.94Å
824	H	30	Very low	41.1	Very low	118 Å²	118	97.7 Å²	97.7	55%	0.546	51%	0.511	S	S	.	.	H	α-helix	trans	-66.8	-36.6	176.8	-82.8	-48.9	0	0	0	113.3	A820 K821 F826 S828	A820-H824 PolarHBondContact O-N 3.38Å; K821-H824 PolarHBondContact O-N 2.95Å; K821-H824 VanDerWaalsContact O-N 3.1Å; H824-F826 VanDerWaalsContact C-N 3.29Å; H824-F826 PolarHBondContact O-N 3.39Å; H824-S828 VanDerWaalsContact O-CB 3.32Å; H824-S828 WeakPolarHBondContact O-CB 3.49Å; H824-S828 PolarHBondContact O-N 3.45Å; H824-S828 PolarHBondContact O-OG 2.9Å
825	D	33.5	Very low	43.3	Very low	104 Å²	104	94.9 Å²	94.9	56%	0.556	48%	0.483	S	S	*	.	H	α-helix	trans	-67.9	-29	174.1	-78.6	-20.5	0	0	0	112.2	K821 S828 N829	K821-D825 PolarHBondContact O-N 3.46Å; D825-S828 PolarHBondContact O-OG 2.85Å; D825-N829 PolarHBondContact O-ND2 3.01Å
826	F	37.5	Very low	45.5	Very low	164 Å²	164	89.6 Å²	89.6	72%	0.719	45%	0.448	S	S	*	.	H	α-helix	trans	-73.7	-48.9	173.2	-144.9	-93.7	0	0	0	111.9	N822 K823 H824 S828 N829	N822-F826 WeakPolarHBondContact O-CB 3.35Å; N822-F826 PolarHBondContact O-N 3.38Å; N822-F826 VanDerWaalsContact O-N 3.16Å; K823-F826 PolarHBondContact O-N 2.81Å; H824-F826 VanDerWaalsContact C-N 3.29Å; H824-F826 PolarHBondContact O-N 3.39Å; F826-S828 PolarHBondContact O-N 2.86Å; F826-N829 PolarHBondContact O-N 2.98Å
827	E	40.4	Very low	48.4	Very low	65 Å²	65	83.4 Å²	83.4	30%	0.304	42%	0.416	S	S	.	.	H	α-helix	trans	-64.7	-39.9	-177.6	-73.4	172.2	-175.8	0	0	112.8	K823 N829 V830	K823-E827 WeakPolarHBondContact CE-OE1 3.21Å; K823-E827 WeakPolarHBondContact O-CG 3.43Å; K823-E827 PolarHBondContact O-N 2.94Å; E827-N829 PolarHBondContact O-N 2.83Å; E827-V830 WeakPolarHBondContact O-CB 3.15Å; E827-V830 PolarHBondContact O-N 2.92Å; E827-V830 VanDerWaalsContact O-N 3.16Å
828	S	44.3	Very low	51.4	Low	49 Å²	49	75.4 Å²	75.4	34%	0.343	38%	0.379	S	S	.	.	H	α-helix	trans	-63.6	-25.8	177.5	56.8	0	0	0	0	113.9	H824 D825 F826	H824-S828 VanDerWaalsContact O-CB 3.32Å; H824-S828 WeakPolarHBondContact O-CB 3.49Å; H824-S828 PolarHBondContact O-N 3.45Å; H824-S828 PolarHBondContact O-OG 2.9Å; D825-S828 PolarHBondContact O-OG 2.85Å; F826-S828 PolarHBondContact O-N 2.86Å
829	N	54.6	Low	54.6	Low	128 Å²	128	71.2 Å²	71.2	68%	0.684	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-6.8	177.6	-81.2	-79.7	0	0	0	113.9	D825 F826 E827	D825-N829 PolarHBondContact O-ND2 3.01Å; F826-N829 PolarHBondContact O-N 2.98Å; E827-N829 PolarHBondContact O-N 2.83Å
830	V	66.3	Low	57.7	Low	32 Å²	32	63.1 Å²	63.1	19%	0.194	32%	0.32	C	S	.	.			trans	-72.3	135.8	175.7	-180	0	0	0	0	110.3	L788 E827 L863	L788-V830 HydrophobicContact CB-CB 4.09Å; L788-V830 HydrophobicContact CB-CG1 4.42Å; L788-V830 WeakPolarHBondContact CB-O 3.38Å; L788-V830 HydrophobicContact CD2-CB 4.03Å; L788-V830 HydrophobicContact CD2-CG1 4.27Å; L788-V830 PolarHBondContact N-O 2.79Å; E827-V830 WeakPolarHBondContact O-CB 3.15Å; E827-V830 PolarHBondContact O-N 2.92Å; E827-V830 VanDerWaalsContact O-N 3.16Å; V830-L863 HydrophobicContact CG1-CD1 4.04Å; V830-L863 HydrophobicContact CG1-CD2 3.77Å
831	R	71.6	Confident	60.7	Low	63 Å²	63	62.4 Å²	62.4	24%	0.238	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	113.3	-176.9	-166.9	-172.7	-172.6	-173.2	2.3	111.4	A786 Y787 C833	A786-R831 CarbonylContact O-C 3.59Å; A786-R831 WeakPolarHBondContact O-CA 3.28Å; A786-R831 WeakPolarHBondContact O-CG 3.27Å; Y787-R831 HydrophobicContact CD1-CB 3.97Å; Y787-R831 HydrophobicContact CD1-CG 3.95Å; Y787-R831 HydrophobicContact CE1-CB 4.13Å; Y787-R831 HydrophobicContact CE1-CG 4.02Å; Y787-R831 HydrophobicContact CG-CG 4.3Å; R831-C833 PolarHBondContact O-N 2.83Å; R831-C833 PolarHBondContact O-SG 2.84Å; R831-C833 VanDerWaalsContact O-SG 3.41Å
832	L	75.3	Confident	63.5	Low	0 Å²	0	59.7 Å²	59.7	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	132.4	173.7	-49.8	-171.8	0	0	0	109	N785 A786 L791 F838 I857 L863 L872	N785-L832 VanDerWaalsContact CA-O 3.28Å; N785-L832 WeakPolarHBondContact CA-O 3.42Å; A786-L832 PolarHBondContact N-O 2.9Å; A786-L832 PolarHBondContact O-N 3.47Å; L791-L832 HydrophobicContact CD1-CD1 3.37Å; L791-L832 HydrophobicContact CD1-CG 3.98Å; L832-F838 HydrophobicContact CB-CZ 4.36Å; L832-F838 HydrophobicContact CD2-CE1 3.93Å; L832-F838 HydrophobicContact CD2-CZ 3.71Å; L832-F838 HydrophobicContact CG-CZ 4.42Å; L832-I857 HydrophobicContact CD1-CD1 3.98Å; L832-L863 HydrophobicContact CD2-CD2 4.17Å; L832-L872 HydrophobicContact CD1-CD1 4.15Å
833	C	69.6	Low	66.5	Low	12 Å²	12	56.9 Å²	56.9	8%	0.081	29%	0.287	C	S	.	.			trans	-108.3	145.5	-173.3	-72.8	0	0	0	0	113.5	R831 G835 E836	R831-C833 PolarHBondContact O-N 2.83Å; R831-C833 PolarHBondContact O-SG 2.84Å; R831-C833 VanDerWaalsContact O-SG 3.41Å; C833-G835 PolarHBondContact O-N 3.16Å; C833-E836 HydrophobicContact CB-CB 4.3Å; C833-E836 PolarHBondContact N-OE2 3.4Å; C833-E836 WeakPolarHBondContact O-CB 3.34Å; C833-E836 PolarHBondContact O-N 3.09Å
834	N	72.4	Confident	69.1	Low	65 Å²	65	54.7 Å²	54.7	35%	0.348	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	123.4	171.7	178.7	11.9	0	0	0	110.3	C782 T783 N785 E836	C782-N834 WeakPolarHBondContact O-CA 3.44Å; C782-N834 PolarHBondContact O-OD1 3.47Å; T783-N834 WeakPolarHBondContact CA-OD1 3.07Å; T783-N834 VanDerWaalsContact O-CG 3.24Å; T783-N834 PolarHBondContact O-ND2 2.88Å; T783-N834 PolarHBondContact O-OD1 2.9Å; N785-N834 WeakPolarHBondContact OD1-CB 3.4Å; N785-N834 PolarHBondContact OD1-N 3.47Å; N834-E836 VanDerWaalsContact C-N 3.31Å
835	G	70.1	Confident	71.7	Confident	8 Å²	8	52 Å²	52	8%	0.082	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.6	5.1	-179	0	0	0	0	0	116	C782 C833 R884	C782-G835 PolarHBondContact O-N 3.3Å; C833-G835 PolarHBondContact O-N 3.16Å; G835-R884 PolarHBondContact O-NH1 2.72Å; G835-R884 PolarHBondContact O-NH2 3.24Å
836	E	77.7	Confident	73.6	Confident	32 Å²	32	50.3 Å²	50.3	15%	0.15	27%	0.267	C	S	.	.			trans	-66	150.5	159.1	-164.5	171.6	-176.9	0	0	109.9	C781 C833 N834 F838 N859	C781-E836 VanDerWaalsContact CA-O 3.25Å; C781-E836 WeakPolarHBondContact CA-O 3.32Å; C781-E836 WeakPolarHBondContact CB-O 3.37Å; C833-E836 HydrophobicContact CB-CB 4.3Å; C833-E836 PolarHBondContact N-OE2 3.4Å; C833-E836 WeakPolarHBondContact O-CB 3.34Å; C833-E836 PolarHBondContact O-N 3.09Å; N834-E836 VanDerWaalsContact C-N 3.31Å; E836-F838 HydrophobicContact CB-CE2 3.86Å; E836-F838 HydrophobicContact CB-CZ 4.18Å; E836-F838 VanDerWaalsContact CD-CZ 3.44Å; E836-F838 HydrophobicContact CG-CE2 3.76Å; E836-F838 HydrophobicContact CG-CZ 3.67Å; E836-N859 PolarHBondContact OE1-ND2 3.25Å
837	I	85.1	Confident	75.3	Confident	18 Å²	18	47.7 Å²	47.7	9%	0.092	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	136.2	-173	-59.4	177.5	0	0	0	108.2	K779 I780 N859 F889	K779-I837 HydrophobicContact CD-CG2 4.48Å; K779-I837 HydrophobicContact CG-CG2 3.8Å; I780-I837 WeakPolarHBondContact O-CA 3.13Å; I837-N859 WeakPolarHBondContact O-CB 3.28Å; I837-F889 HydrophobicContact CD1-CE2 4.32Å
838	F	88.8	Confident	76.5	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	154.3	176.4	-54.5	-98.1	0	0	0	109.7	I780 L832 E836 I857 N858 N859 L863	I780-F838 HydrophobicContact CD1-CB 4.44Å; I780-F838 HydrophobicContact CG1-CB 4Å; I780-F838 WeakPolarHBondContact CG1-O 3.48Å; I780-F838 PolarHBondContact N-O 3.28Å; I780-F838 PolarHBondContact O-N 2.94Å; L832-F838 HydrophobicContact CB-CZ 4.36Å; L832-F838 HydrophobicContact CD2-CE1 3.93Å; L832-F838 HydrophobicContact CD2-CZ 3.71Å; L832-F838 HydrophobicContact CG-CZ 4.42Å; E836-F838 HydrophobicContact CB-CE2 3.86Å; E836-F838 HydrophobicContact CB-CZ 4.18Å; E836-F838 VanDerWaalsContact CD-CZ 3.44Å; E836-F838 HydrophobicContact CG-CE2 3.76Å; E836-F838 HydrophobicContact CG-CZ 3.67Å; F838-I857 HydrophobicContact CB-CB 4.08Å; F838-I857 HydrophobicContact CD1-CB 4.27Å; F838-I857 HydrophobicContact CD1-CD1 4.03Å; F838-I857 HydrophobicContact CD1-CG1 4.17Å; F838-I857 HydrophobicContact CE1-CD1 4.35Å; F838-I857 HydrophobicContact CG-CB 4.41Å; F838-I857 HydrophobicContact CG-CD1 4.26Å; F838-N858 CarbonylContact C-O 3.59Å; F838-N858 WeakPolarHBondContact CA-O 3.47Å; F838-N859 HydrophobicContact CD1-CB 3.67Å; F838-N859 HydrophobicContact CE1-CB 3.7Å; F838-N859 HydrophobicContact CG-CB 4.44Å; F838-N859 HydrophobicContact CZ-CB 4.49Å; F838-L863 HydrophobicContact CE1-CD2 4.43Å
839	F	90.9	Very high	76.6	Confident	22 Å²	22	55 Å²	55	10%	0.096	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	136.8	165.5	-64.3	-92.3	0	0	0	108.5	K737 D778 K779 T841 I857 N858 M860	K737-F839 HydrophobicContact CB-CZ 4.32Å; K737-F839 HydrophobicContact CG-CE1 4.18Å; K737-F839 HydrophobicContact CG-CE2 4.2Å; K737-F839 HydrophobicContact CG-CZ 3.84Å; D778-F839 WeakPolarHBondContact O-CA 3.47Å; K779-F839 HydrophobicContact CB-CD1 4.02Å; K779-F839 HydrophobicContact CB-CE1 3.67Å; K779-F839 HydrophobicContact CB-CZ 4.33Å; K779-F839 HydrophobicContact CD-CE1 3.85Å; K779-F839 HydrophobicContact CD-CZ 3.79Å; K779-F839 HydrophobicContact CG-CD1 4.34Å; K779-F839 HydrophobicContact CG-CE1 3.69Å; K779-F839 HydrophobicContact CG-CZ 3.83Å; F839-T841 PolarHBondContact O-N 3.46Å; F839-I857 WeakPolarHBondContact O-CA 3.38Å; F839-N858 PolarHBondContact N-O 2.86Å; F839-N858 PolarHBondContact O-N 3.17Å; F839-M860 HydrophobicContact CD2-CG 3.81Å; F839-M860 HydrophobicContact CE2-CG 3.92Å
840	I	91.4	Very high	76.6	Confident	2 Å²	2	52 Å²	52	1%	0.01	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	116.7	172.1	-59.8	176.3	0	0	0	107.9	F774 G775 G777 D778 I780 L855 T856 I857	F774-I840 HydrophobicContact CB-CD1 3.87Å; G775-I840 WeakPolarHBondContact O-CB 3.32Å; G777-I840 PolarHBondContact N-O 2.94Å; D778-I840 HydrophobicContact CB-CD1 4.23Å; D778-I840 PolarHBondContact O-N 3.04Å; D778-I840 VanDerWaalsContact O-N 3.09Å; I780-I840 HydrophobicContact CD1-CD1 4.3Å; I780-I840 HydrophobicContact CD1-CG1 3.99Å; I780-I840 HydrophobicContact CG1-CG1 4.42Å; I780-I840 HydrophobicContact CG2-CD1 4.18Å; I780-I840 HydrophobicContact CG2-CG1 4.47Å; I840-L855 HydrophobicContact CD1-CD1 3.9Å; I840-L855 HydrophobicContact CG1-CD1 4.46Å; I840-L855 HydrophobicContact CG2-CD2 4.11Å; I840-T856 WeakPolarHBondContact CA-O 3.37Å; I840-I857 HydrophobicContact CG1-CG2 4.39Å
841	T	89.8	Confident	76.5	Confident	45 Å²	45	57 Å²	57	28%	0.276	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	-35.3	-178.4	50	0	0	0	0	112.6	I776 F839 T856 N858 E864	I776-T841 WeakPolarHBondContact CG2-O 3.49Å; F839-T841 PolarHBondContact O-N 3.46Å; T841-T856 PolarHBondContact N-O 2.87Å; T841-T856 WeakPolarHBondContact OG1-CB 3.47Å; T841-T856 VanDerWaalsContact OG1-CG2 3.27Å; T841-T856 WeakPolarHBondContact OG1-CG2 3.43Å; T841-T856 PolarHBondContact OG1-O 2.83Å; T841-N858 HydrophobicContact CG2-CB 3.66Å; T841-E864 VanDerWaalsContact CB-OE1 3.25Å; T841-E864 WeakPolarHBondContact CB-OE1 3.48Å; T841-E864 WeakPolarHBondContact CG2-OE1 3.33Å; T841-E864 PolarHBondContact OG1-OE1 2.92Å
842	N	87.4	Confident	76.7	Confident	82 Å²	82	59.2 Å²	59.2	44%	0.439	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	156.5	172.7	-59.8	-72.6	0	0	0	111.1	L855 T856	N842-L855 WeakPolarHBondContact O-CA 3.34Å; N842-T856 PolarHBondContact O-N 2.84Å
843	D	89.9	Confident	77.3	Confident	50 Å²	50	62 Å²	62	27%	0.267	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	117.3	176.2	-179	12.9	0	0	0	108.1	I776 R853 L855	I776-D843 HydrophobicContact CD1-CB 4.06Å; I776-D843 HydrophobicContact CG1-CB 3.71Å; D843-R853 WeakPolarHBondContact OD1-CG 3.29Å; D843-R853 IonicContact OD1-CZ 2.75Å; D843-R853 IonicContact OD1-NE 2.76Å; D843-R853 PolarHBondContact OD1-NE 2.78Å; D843-R853 IonicContact OD1-NH2 3.93Å; D843-R853 IonicContact OD2-CZ 2.75Å; D843-R853 IonicContact OD2-NE 3.21Å; D843-R853 PolarHBondContact OD2-NE 3.07Å; D843-R853 IonicContact OD2-NH2 3.76Å; D843-R853 PolarHBondContact OD2-NH2 2.68Å; D843-L855 HydrophobicContact CB-CD2 3.75Å; D843-L855 VanDerWaalsContact OD1-CD2 3.28Å; D843-L855 WeakPolarHBondContact OD1-CD2 3.34Å
844	V	85.8	Confident	78.2	Confident	90 Å²	90	62.7 Å²	62.7	55%	0.545	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	121.8	-172.2	-178	0	0	0	0	108.7	S854	V844-S854 PolarHBondContact N-O 3.02Å; V844-S854 PolarHBondContact O-N 2.74Å
845	T	83.2	Confident	79	Confident	61 Å²	61	59.6 Å²	59.6	37%	0.374	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	112.8	175	-59.7	0	0	0	0	109.9	M851	T845-M851 HydrophobicContact CG2-CE 4.46Å
846	D	74.8	Confident	80	Confident	68 Å²	68	59.9 Å²	59.9	36%	0.364	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	117.1	171.1	-175.8	-5.2	0	0	0	109.7	T848 M851 R852	D846-T848 WeakPolarHBondContact OD1-CB 3.47Å; D846-T848 WeakPolarHBondContact OD1-CG2 3.29Å; D846-T848 PolarHBondContact OD1-N 3.44Å; D846-T848 PolarHBondContact OD1-OG1 2.97Å; D846-T848 PolarHBondContact OD2-OG1 3.39Å; D846-M851 CarbonylContact O-C 3.5Å; D846-M851 VanDerWaalsContact O-CA 3.26Å; D846-M851 WeakPolarHBondContact O-CA 3.16Å; D846-R852 PolarHBondContact N-O 2.68Å; D846-R852 PolarHBondContact O-N 2.85Å
847	V	71.9	Confident	80.6	Confident	110 Å²	110	58.4 Å²	58.4	67%	0.667	32%	0.321	S	S	*	.			trans	-91.9	-7	-177	-143.6	0	0	0	0	112.4	M851	V847-M851 HydrophobicContact CG1-CG 4.2Å
848	T	65.4	Low	80.7	Confident	105 Å²	105	59 Å²	59	64%	0.644	32%	0.324	S	S	*	.	S	Bend	trans	-77.1	-32.4	-170.2	64.1	0	0	0	0	113.8	D846	D846-T848 WeakPolarHBondContact OD1-CB 3.47Å; D846-T848 WeakPolarHBondContact OD1-CG2 3.29Å; D846-T848 PolarHBondContact OD1-N 3.44Å; D846-T848 PolarHBondContact OD1-OG1 2.97Å; D846-T848 PolarHBondContact OD2-OG1 3.39Å
849	F	45.9	Very low	80.4	Confident	163 Å²	163	60.5 Å²	60.5	72%	0.715	33%	0.332	S	S	*	.	S	Bend	trans	-139	86.7	177.8	-78.3	-87.9	0	0	0	111.7
850	G	56.2	Low	79.6	Confident	63 Å²	63	64.4 Å²	64.4	65%	0.649	35%	0.352	S	S	*	.	S	Bend	trans	72.5	40.3	167.5	0	0	0	0	0	115.6	R852	G850-R852 PolarHBondContact O-N 3.2Å
851	M	63.4	Low	78.4	Confident	138 Å²	138	67.5 Å²	67.5	68%	0.68	38%	0.377	S	S	*	.			trans	42.5	63.9	173.9	-75.1	-171.5	64.7	0	0	114.8	T845 D846 V847 R853	T845-M851 HydrophobicContact CG2-CE 4.46Å; D846-M851 CarbonylContact O-C 3.5Å; D846-M851 VanDerWaalsContact O-CA 3.26Å; D846-M851 WeakPolarHBondContact O-CA 3.16Å; V847-M851 HydrophobicContact CG1-CG 4.2Å; M851-R853 PolarHBondContact O-N 3.11Å
852	R	75.4	Confident	77.3	Confident	110 Å²	110	69.3 Å²	69.3	42%	0.415	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	102.9	-179.9	-70.3	-176.5	174.3	-147.8	-7.1	111.1	E794 D846 G850	E794-R852 IonicContact OE2-NH1 3.98Å; E794-R852 IonicContact OE2-NH2 2.87Å; D846-R852 PolarHBondContact N-O 2.68Å; D846-R852 PolarHBondContact O-N 2.85Å; G850-R852 PolarHBondContact O-N 3.2Å
853	R	87.8	Confident	76.8	Confident	58 Å²	58	67.1 Å²	67.1	22%	0.219	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	125.5	172.2	-172.6	179.7	-177.9	-158.5	6.5	111.7	F774 D843 M851 F869	F774-R853 PolarHBondContact O-NH2 3.25Å; D843-R853 WeakPolarHBondContact OD1-CG 3.29Å; D843-R853 IonicContact OD1-CZ 2.75Å; D843-R853 IonicContact OD1-NE 2.76Å; D843-R853 PolarHBondContact OD1-NE 2.78Å; D843-R853 IonicContact OD1-NH2 3.93Å; D843-R853 IonicContact OD2-CZ 2.75Å; D843-R853 IonicContact OD2-NE 3.21Å; D843-R853 PolarHBondContact OD2-NE 3.07Å; D843-R853 IonicContact OD2-NH2 3.76Å; D843-R853 PolarHBondContact OD2-NH2 2.68Å; M851-R853 PolarHBondContact O-N 3.11Å; R853-F869 HydrophobicContact CB-CB 4.13Å; R853-F869 HydrophobicContact CG-CB 4.1Å; R853-F869 HydrophobicContact CG-CG 4.48Å; R853-F869 VanDerWaalsContact O-CB 3.28Å; R853-F869 WeakPolarHBondContact O-CB 3.49Å; R853-F869 PolarHBondContact O-N 2.74Å
854	S	88.9	Confident	76.7	Confident	26 Å²	26	69.2 Å²	69.2	18%	0.182	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	134.3	177	-57.9	0	0	0	0	110.3	V844 V867	V844-S854 PolarHBondContact N-O 3.02Å; V844-S854 PolarHBondContact O-N 2.74Å; S854-V867 CarbonylContact C-O 3.48Å; S854-V867 WeakPolarHBondContact CA-O 3.27Å
855	L	90	Very high	76.8	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	134.5	177.8	-62.5	-177.8	0	0	0	110.3	I840 N842 D843 I857 T866 V867 F869 L872	I840-L855 HydrophobicContact CD1-CD1 3.9Å; I840-L855 HydrophobicContact CG1-CD1 4.46Å; I840-L855 HydrophobicContact CG2-CD2 4.11Å; N842-L855 WeakPolarHBondContact O-CA 3.34Å; D843-L855 HydrophobicContact CB-CD2 3.75Å; D843-L855 VanDerWaalsContact OD1-CD2 3.28Å; D843-L855 WeakPolarHBondContact OD1-CD2 3.34Å; L855-I857 HydrophobicContact CB-CG2 4.27Å; L855-T866 CarbonylContact O-C 3.6Å; L855-T866 WeakPolarHBondContact O-CA 3.44Å; L855-V867 PolarHBondContact N-O 2.79Å; L855-V867 PolarHBondContact O-N 3.02Å; L855-F869 HydrophobicContact CD1-CD2 3.6Å; L855-F869 HydrophobicContact CD1-CE2 4.24Å; L855-F869 HydrophobicContact CD1-CG 4.49Å; L855-F869 HydrophobicContact CG-CB 4.4Å; L855-F869 HydrophobicContact CG-CD2 4.22Å; L855-L872 HydrophobicContact CD1-CD2 4.39Å
856	T	90.2	Very high	77.1	Confident	15 Å²	15	66 Å²	66	9%	0.092	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	126.2	162.1	-49.7	0	0	0	0	108.8	I840 T841 N842 E864 V865 T866	I840-T856 WeakPolarHBondContact CA-O 3.37Å; T841-T856 PolarHBondContact N-O 2.87Å; T841-T856 WeakPolarHBondContact OG1-CB 3.47Å; T841-T856 VanDerWaalsContact OG1-CG2 3.27Å; T841-T856 WeakPolarHBondContact OG1-CG2 3.43Å; T841-T856 PolarHBondContact OG1-O 2.83Å; N842-T856 PolarHBondContact O-N 2.84Å; T856-E864 HydrophobicContact CG2-CG 3.59Å; T856-E864 WeakPolarHBondContact CG2-OE1 3.42Å; T856-V865 CarbonylContact C-O 3.38Å; T856-V865 WeakPolarHBondContact CA-O 3.32Å; T856-T866 PolarHBondContact OG1-OG1 2.84Å
857	I	90.2	Very high	77.7	Confident	1 Å²	1	62.8 Å²	62.8	1%	0.005	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	131.4	-178.5	62	173.1	0	0	0	110.3	I780 L832 F838 F839 I840 L855 E864 V865 V867 L872	I780-I857 HydrophobicContact CD1-CG2 4.14Å; L832-I857 HydrophobicContact CD1-CD1 3.98Å; F838-I857 HydrophobicContact CB-CB 4.08Å; F838-I857 HydrophobicContact CD1-CB 4.27Å; F838-I857 HydrophobicContact CD1-CD1 4.03Å; F838-I857 HydrophobicContact CD1-CG1 4.17Å; F838-I857 HydrophobicContact CE1-CD1 4.35Å; F838-I857 HydrophobicContact CG-CB 4.41Å; F838-I857 HydrophobicContact CG-CD1 4.26Å; F839-I857 WeakPolarHBondContact O-CA 3.38Å; I840-I857 HydrophobicContact CG1-CG2 4.39Å; L855-I857 HydrophobicContact CB-CG2 4.27Å; I857-E864 WeakPolarHBondContact O-CA 3.44Å; I857-V865 HydrophobicContact CD1-CG2 4.21Å; I857-V865 HydrophobicContact CG1-CG2 3.68Å; I857-V865 PolarHBondContact N-O 3.01Å; I857-V865 PolarHBondContact O-N 3.08Å; I857-V867 HydrophobicContact CD1-CG2 4.02Å; I857-V867 HydrophobicContact CG1-CG2 4.23Å; I857-L872 HydrophobicContact CD1-CD1 4.49Å
858	N	87.6	Confident	78.5	Confident	29 Å²	29	58.6 Å²	58.6	16%	0.155	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	126.8	-177.2	-176.3	-37.1	0	0	0	110.3	F838 F839 T841 M860 L863 E864	F838-N858 CarbonylContact C-O 3.59Å; F838-N858 WeakPolarHBondContact CA-O 3.47Å; F839-N858 PolarHBondContact N-O 2.86Å; F839-N858 PolarHBondContact O-N 3.17Å; T841-N858 HydrophobicContact CG2-CB 3.66Å; N858-M860 WeakPolarHBondContact OD1-CA 3.49Å; N858-M860 PolarHBondContact OD1-N 2.93Å; N858-L863 WeakPolarHBondContact CA-O 3.46Å; N858-E864 HydrophobicContact CB-CB 4.08Å; N858-E864 HydrophobicContact CB-CG 4.02Å; N858-E864 VanDerWaalsContact ND2-CD 3.33Å; N858-E864 PolarHBondContact ND2-OE2 2.89Å
859	N	82.4	Confident	79.6	Confident	32 Å²	32	54.5 Å²	54.5	17%	0.171	31%	0.312	C	S	.	.			trans	-89.8	6.3	-178.6	77.6	-5.3	0	0	0	115.1	E836 I837 F838 A861 L863	E836-N859 PolarHBondContact OE1-ND2 3.25Å; I837-N859 WeakPolarHBondContact O-CB 3.28Å; F838-N859 HydrophobicContact CD1-CB 3.67Å; F838-N859 HydrophobicContact CE1-CB 3.7Å; F838-N859 HydrophobicContact CG-CB 4.44Å; F838-N859 HydrophobicContact CZ-CB 4.49Å; N859-A861 PolarHBondContact O-N 3.06Å; N859-A861 WeakPolarHBondContact OD1-CA 3.39Å; N859-A861 WeakPolarHBondContact OD1-CB 3.41Å; N859-A861 PolarHBondContact OD1-N 3.02Å; N859-L863 PolarHBondContact N-O 2.73Å; N859-L863 PolarHBondContact OD1-N 2.66Å; N859-L863 PolarHBondContact OD1-O 3.34Å
860	M	74.6	Confident	81.4	Confident	105 Å²	105	52 Å²	52	52%	0.517	30%	0.301	S	S	.	.	S	Bend	trans	57.6	8.9	-173.1	-60.9	-63.5	-44.9	0	0	115	K737 F839 N858	K737-M860 HydrophobicContact CD-CE 4.11Å; K737-M860 HydrophobicContact CD-CG 4.42Å; K737-M860 HydrophobicContact CD-SD 3.93Å; K737-M860 PolarHBondContact NZ-SD 3.47Å; K737-M860 VanDerWaalsContact NZ-SD 3.37Å; F839-M860 HydrophobicContact CD2-CG 3.81Å; F839-M860 HydrophobicContact CE2-CG 3.92Å; N858-M860 WeakPolarHBondContact OD1-CA 3.49Å; N858-M860 PolarHBondContact OD1-N 2.93Å
861	A	66.1	Low	82.7	Confident	66 Å²	66	50.7 Å²	50.7	55%	0.545	28%	0.277	S	S	.	.	S	Bend	trans	-120.5	29.5	-179.5	0	0	0	0	0	112.2	N859	N859-A861 PolarHBondContact O-N 3.06Å; N859-A861 WeakPolarHBondContact OD1-CA 3.39Å; N859-A861 WeakPolarHBondContact OD1-CB 3.41Å; N859-A861 PolarHBondContact OD1-N 3.02Å
862	G	66.7	Low	83.7	Confident	83 Å²	83	44.1 Å²	44.1	86%	0.856	25%	0.245	S	C	*	.	S	Bend	trans	89.4	1.9	176.3	0	0	0	0	0	115.8
863	L	77.6	Confident	84.1	Confident	37 Å²	37	41 Å²	41	19%	0.194	24%	0.235	C	C	.	.			trans	-104.9	114.3	171.4	-175.7	68.3	0	0	0	110.2	V830 L832 F838 N858 N859 V865	V830-L863 HydrophobicContact CG1-CD1 4.04Å; V830-L863 HydrophobicContact CG1-CD2 3.77Å; L832-L863 HydrophobicContact CD2-CD2 4.17Å; F838-L863 HydrophobicContact CE1-CD2 4.43Å; N858-L863 WeakPolarHBondContact CA-O 3.46Å; N859-L863 PolarHBondContact N-O 2.73Å; N859-L863 PolarHBondContact OD1-N 2.66Å; N859-L863 PolarHBondContact OD1-O 3.34Å; L863-V865 HydrophobicContact CD1-CG1 3.6Å; L863-V865 HydrophobicContact CG-CG1 4.1Å
864	E	86.2	Confident	83.6	Confident	93 Å²	93	44.5 Å²	44.5	44%	0.435	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	124.3	167.8	-179.5	152.2	-153.3	0	0	109.3	T841 T856 I857 N858	T841-E864 VanDerWaalsContact CB-OE1 3.25Å; T841-E864 WeakPolarHBondContact CB-OE1 3.48Å; T841-E864 WeakPolarHBondContact CG2-OE1 3.33Å; T841-E864 PolarHBondContact OG1-OE1 2.92Å; T856-E864 HydrophobicContact CG2-CG 3.59Å; T856-E864 WeakPolarHBondContact CG2-OE1 3.42Å; I857-E864 WeakPolarHBondContact O-CA 3.44Å; N858-E864 HydrophobicContact CB-CB 4.08Å; N858-E864 HydrophobicContact CB-CG 4.02Å; N858-E864 VanDerWaalsContact ND2-CD 3.33Å; N858-E864 PolarHBondContact ND2-OE2 2.89Å
865	V	87.8	Confident	82.8	Confident	19 Å²	19	47.8 Å²	47.8	12%	0.115	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	142	-171.3	-65.6	0	0	0	0	111.6	L788 T856 I857 L863 V867	L788-V865 HydrophobicContact CD1-CB 4.05Å; L788-V865 HydrophobicContact CD1-CG1 4.2Å; L788-V865 HydrophobicContact CD1-CG2 3.9Å; L788-V865 HydrophobicContact CD2-CB 4.49Å; L788-V865 HydrophobicContact CD2-CG1 3.79Å; T856-V865 CarbonylContact C-O 3.38Å; T856-V865 WeakPolarHBondContact CA-O 3.32Å; I857-V865 HydrophobicContact CD1-CG2 4.21Å; I857-V865 HydrophobicContact CG1-CG2 3.68Å; I857-V865 PolarHBondContact N-O 3.01Å; I857-V865 PolarHBondContact O-N 3.08Å; L863-V865 HydrophobicContact CD1-CG1 3.6Å; L863-V865 HydrophobicContact CG-CG1 4.1Å; V865-V867 HydrophobicContact CG2-CG1 4.27Å
866	T	89.4	Confident	82.1	Confident	66 Å²	66	47.8 Å²	47.8	41%	0.405	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	126.2	173.4	-58	0	0	0	0	110.3	L855 T856	L855-T866 CarbonylContact O-C 3.6Å; L855-T866 WeakPolarHBondContact O-CA 3.44Å; T856-T866 PolarHBondContact OG1-OG1 2.84Å
867	V	88.3	Confident	81.6	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	149.9	-173.1	-68.4	0	0	0	0	111.6	L788 L791 S854 L855 I857 V865 F869 L872	L788-V867 HydrophobicContact CD1-CG1 3.84Å; L791-V867 HydrophobicContact CB-CB 4.13Å; L791-V867 HydrophobicContact CB-CG1 3.76Å; L791-V867 WeakPolarHBondContact O-CA 3.49Å; S854-V867 CarbonylContact C-O 3.48Å; S854-V867 WeakPolarHBondContact CA-O 3.27Å; L855-V867 PolarHBondContact N-O 2.79Å; L855-V867 PolarHBondContact O-N 3.02Å; I857-V867 HydrophobicContact CD1-CG2 4.02Å; I857-V867 HydrophobicContact CG1-CG2 4.23Å; V865-V867 HydrophobicContact CG2-CG1 4.27Å; V867-F869 PolarHBondContact O-N 2.87Å; V867-L872 HydrophobicContact CG2-CB 4.47Å; V867-L872 HydrophobicContact CG2-CD1 4.34Å; V867-L872 HydrophobicContact CG2-CD2 3.96Å; V867-L872 HydrophobicContact CG2-CG 4.5Å
868	D	88.8	Confident	81.4	Confident	21 Å²	21	52.4 Å²	52.4	11%	0.112	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	125	173.8	173.8	-45.6	0	0	0	109.9	L791 K870 K871 L872	L791-D868 PolarHBondContact O-N 3.49Å; D868-K870 VanDerWaalsContact C-N 3.32Å; D868-K870 PolarHBondContact O-N 3.31Å; D868-K870 WeakPolarHBondContact OD1-CA 3.42Å; D868-K870 VanDerWaalsContact OD1-CB 3.29Å; D868-K870 WeakPolarHBondContact OD1-CB 2.98Å; D868-K870 PolarHBondContact OD1-N 3.11Å; D868-K871 HydrophobicContact CB-CB 4Å; D868-K871 HydrophobicContact CB-CD 3.85Å; D868-K871 HydrophobicContact CB-CG 3.87Å; D868-K871 PolarHBondContact O-N 3.04Å; D868-K871 PolarHBondContact OD1-N 2.96Å; D868-L872 VanDerWaalsContact O-CB 3.3Å; D868-L872 WeakPolarHBondContact O-CB 3.27Å; D868-L872 PolarHBondContact O-N 3.05Å
869	F	87.6	Confident	81.5	Confident	20 Å²	20	54.8 Å²	54.8	9%	0.088	29%	0.286	C	S	.	.	H	α-helix	trans	-62.6	-37.8	-176.6	175.6	-115	0	0	0	112.7	F774 R853 L855 V867 L872 M873 I878	F774-F869 AromaticContact CD2-CE2 3.87Å; F774-F869 HydrophobicContact CD2-CE2 3.87Å; F774-F869 HydrophobicContact CD2-CZ 4.1Å; F774-F869 HydrophobicContact CE2-CE2 4.48Å; R853-F869 HydrophobicContact CB-CB 4.13Å; R853-F869 HydrophobicContact CG-CB 4.1Å; R853-F869 HydrophobicContact CG-CG 4.48Å; R853-F869 VanDerWaalsContact O-CB 3.28Å; R853-F869 WeakPolarHBondContact O-CB 3.49Å; R853-F869 PolarHBondContact O-N 2.74Å; L855-F869 HydrophobicContact CD1-CD2 3.6Å; L855-F869 HydrophobicContact CD1-CE2 4.24Å; L855-F869 HydrophobicContact CD1-CG 4.49Å; L855-F869 HydrophobicContact CG-CB 4.4Å; L855-F869 HydrophobicContact CG-CD2 4.22Å; V867-F869 PolarHBondContact O-N 2.87Å; F869-L872 PolarHBondContact O-N 3.14Å; F869-M873 HydrophobicContact CD2-CG 4.15Å; F869-M873 HydrophobicContact CE1-CG 4.27Å; F869-M873 HydrophobicContact CE2-CG 3.68Å; F869-M873 HydrophobicContact CE2-SD 4.3Å; F869-M873 HydrophobicContact CZ-CG 3.75Å; F869-M873 HydrophobicContact CZ-SD 4.44Å; F869-M873 WeakPolarHBondContact O-CB 3.43Å; F869-M873 WeakPolarHBondContact O-CG 3.27Å; F869-M873 PolarHBondContact O-N 3.1Å; F869-I878 HydrophobicContact CE2-CD1 4.46Å
870	K	83.9	Confident	81.9	Confident	111 Å²	111	53.8 Å²	53.8	48%	0.483	28%	0.28	S	S	.	.	H	α-helix	trans	-71.3	-40.3	-178.7	-164.4	171.2	-175.5	172.5	0	110.4	E26 D868 K874	E26-K870 WeakPolarHBondContact OE2-CE 2.91Å; E26-K870 IonicContact OE2-NZ 3.27Å; E26-K870 PolarHBondContact OE2-NZ 2.78Å; D868-K870 VanDerWaalsContact C-N 3.32Å; D868-K870 PolarHBondContact O-N 3.31Å; D868-K870 WeakPolarHBondContact OD1-CA 3.42Å; D868-K870 VanDerWaalsContact OD1-CB 3.29Å; D868-K870 WeakPolarHBondContact OD1-CB 2.98Å; D868-K870 PolarHBondContact OD1-N 3.11Å; K870-K874 WeakPolarHBondContact O-CB 3.5Å; K870-K874 PolarHBondContact O-N 3.42Å
871	K	84.4	Confident	82.7	Confident	34 Å²	34	48.8 Å²	48.8	15%	0.148	26%	0.256	C	S	.	.	H	α-helix	trans	-64.2	-45	170.4	-63.3	-176.6	-166.9	-172.5	0	111.4	D790 L791 L792 E794 D868 M873 K874 Y875	D790-K871 WeakPolarHBondContact O-CD 3.43Å; L791-K871 HydrophobicContact CD2-CB 4.26Å; L792-K871 PolarHBondContact O-NZ 3.22Å; E794-K871 VanDerWaalsContact OE1-CE 3.27Å; E794-K871 WeakPolarHBondContact OE1-CE 3.29Å; E794-K871 IonicContact OE1-NZ 3.23Å; E794-K871 PolarHBondContact OE1-NZ 3.37Å; D868-K871 HydrophobicContact CB-CB 4Å; D868-K871 HydrophobicContact CB-CD 3.85Å; D868-K871 HydrophobicContact CB-CG 3.87Å; D868-K871 PolarHBondContact O-N 3.04Å; D868-K871 PolarHBondContact OD1-N 2.96Å; K871-M873 PolarHBondContact O-N 3.1Å; K871-K874 PolarHBondContact O-N 3.34Å; K871-Y875 HydrophobicContact CB-CD2 4.2Å; K871-Y875 HydrophobicContact CB-CE2 4.26Å; K871-Y875 VanDerWaalsContact O-CD2 3.25Å; K871-Y875 WeakPolarHBondContact O-CD2 3.38Å; K871-Y875 PolarHBondContact O-N 3.01Å
872	L	84.2	Confident	84	Confident	0 Å²	0	46 Å²	46	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-60.1	-46.1	178.1	-174.3	67.4	0	0	0	112.3	L791 L832 L855 I857 V867 D868 F869 C876 R877 I878	L791-L872 HydrophobicContact CD1-CD1 4.29Å; L791-L872 HydrophobicContact CD2-CD1 4.47Å; L832-L872 HydrophobicContact CD1-CD1 4.15Å; L855-L872 HydrophobicContact CD1-CD2 4.39Å; I857-L872 HydrophobicContact CD1-CD1 4.49Å; V867-L872 HydrophobicContact CG2-CB 4.47Å; V867-L872 HydrophobicContact CG2-CD1 4.34Å; V867-L872 HydrophobicContact CG2-CD2 3.96Å; V867-L872 HydrophobicContact CG2-CG 4.5Å; D868-L872 VanDerWaalsContact O-CB 3.3Å; D868-L872 WeakPolarHBondContact O-CB 3.27Å; D868-L872 PolarHBondContact O-N 3.05Å; F869-L872 PolarHBondContact O-N 3.14Å; L872-C876 HydrophobicContact CD1-CB 3.91Å; L872-C876 WeakPolarHBondContact O-CA 3.35Å; L872-C876 VanDerWaalsContact O-CB 3.29Å; L872-C876 WeakPolarHBondContact O-CB 3.32Å; L872-C876 PolarHBondContact O-N 2.79Å; L872-R877 PolarHBondContact O-N 3.42Å; L872-I878 HydrophobicContact CD1-CG2 4.07Å; L872-I878 HydrophobicContact CD2-CD1 3.91Å; L872-I878 HydrophobicContact CD2-CG2 4.11Å; L872-I878 HydrophobicContact CG-CD1 4.47Å; L872-I878 HydrophobicContact CG-CG2 3.87Å
873	M	82.9	Confident	85.2	Confident	45 Å²	45	42.1 Å²	42.1	22%	0.222	19%	0.191	C	C	.	.	H	α-helix	trans	-65.2	-43.1	174.9	-76.9	-64.3	-76.2	0	0	112.3	F774 F869 K871 R877 I878	F774-M873 HydrophobicContact CE2-CE 4.31Å; F774-M873 HydrophobicContact CE2-SD 3.92Å; F869-M873 HydrophobicContact CD2-CG 4.15Å; F869-M873 HydrophobicContact CE1-CG 4.27Å; F869-M873 HydrophobicContact CE2-CG 3.68Å; F869-M873 HydrophobicContact CE2-SD 4.3Å; F869-M873 HydrophobicContact CZ-CG 3.75Å; F869-M873 HydrophobicContact CZ-SD 4.44Å; F869-M873 WeakPolarHBondContact O-CB 3.43Å; F869-M873 WeakPolarHBondContact O-CG 3.27Å; F869-M873 PolarHBondContact O-N 3.1Å; K871-M873 PolarHBondContact O-N 3.1Å; M873-R877 WeakPolarHBondContact O-CA 3.4Å; M873-R877 VanDerWaalsContact O-CG 3.29Å; M873-R877 WeakPolarHBondContact O-CG 3.45Å; M873-R877 PolarHBondContact O-N 2.89Å; M873-I878 HydrophobicContact SD-CD1 4.3Å; M873-I878 HydrophobicContact SD-CG1 3.5Å; M873-I878 WeakPolarHBondContact SD-CG1 3.27Å
874	K	77.9	Confident	85.9	Confident	131 Å²	131	40.8 Å²	40.8	57%	0.57	18%	0.183	S	C	*	.	H	α-helix	trans	-62.3	-48.9	179.8	-177.7	-174.2	-179.4	-166.3	0	112.8	K870 K871	K870-K874 WeakPolarHBondContact O-CB 3.5Å; K870-K874 PolarHBondContact O-N 3.42Å; K871-K874 PolarHBondContact O-N 3.34Å
875	Y	72.9	Confident	86.2	Confident	95 Å²	95	37.2 Å²	37.2	37%	0.373	17%	0.168	S	C	.	.	H	α-helix	trans	-92.5	-51.8	-173	-60.4	-57.9	0	0	0	113	R784 D790 L791 K871	R784-Y875 WeakPolarHBondContact CB-O 3.44Å; R784-Y875 WeakPolarHBondContact CD-O 3.19Å; D790-Y875 HydrophobicContact CB-CD2 4.31Å; D790-Y875 HydrophobicContact CB-CE2 4.38Å; D790-Y875 WeakPolarHBondContact O-CE2 3.36Å; L791-Y875 HydrophobicContact CD2-CD2 4.03Å; K871-Y875 HydrophobicContact CB-CD2 4.2Å; K871-Y875 HydrophobicContact CB-CE2 4.26Å; K871-Y875 VanDerWaalsContact O-CD2 3.25Å; K871-Y875 WeakPolarHBondContact O-CD2 3.38Å; K871-Y875 PolarHBondContact O-N 3.01Å
876	C	74	Confident	86.3	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-85.1	-25	-175.3	-64.6	0	0	0	0	114.2	C782 T783 R784 A786 L872 I878	C782-C876 HydrophobicContact CB-CB 4.1Å; T783-C876 PolarHBondContact N-O 3.32Å; T783-C876 PolarHBondContact OG1-O 3.46Å; R784-C876 PolarHBondContact N-O 2.87Å; R784-C876 VanDerWaalsContact N-O 3.07Å; A786-C876 VanDerWaalsContact CB-SG 3.54Å; L872-C876 HydrophobicContact CD1-CB 3.91Å; L872-C876 WeakPolarHBondContact O-CA 3.35Å; L872-C876 VanDerWaalsContact O-CB 3.29Å; L872-C876 WeakPolarHBondContact O-CB 3.32Å; L872-C876 PolarHBondContact O-N 2.79Å; C876-I878 HydrophobicContact CB-CG2 4.29Å
877	R	81	Confident	86.2	Confident	111 Å²	111	36.3 Å²	36.3	42%	0.419	16%	0.158	S	C	.	.			trans	45.3	72	-172.2	-70.8	-174.2	178.3	-162.4	-3.8	111.6	T783 L872 M873	T783-R877 WeakPolarHBondContact CB-O 3.49Å; T783-R877 WeakPolarHBondContact CG2-O 3.31Å; T783-R877 PolarHBondContact N-O 3.04Å; T783-R877 WeakPolarHBondContact OG1-CB 3.36Å; T783-R877 PolarHBondContact OG1-O 3.09Å; L872-R877 PolarHBondContact O-N 3.42Å; M873-R877 WeakPolarHBondContact O-CA 3.4Å; M873-R877 VanDerWaalsContact O-CG 3.29Å; M873-R877 WeakPolarHBondContact O-CG 3.45Å; M873-R877 PolarHBondContact O-N 2.89Å
878	I	86.3	Confident	86	Confident	3 Å²	3	39.6 Å²	39.6	2%	0.015	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	150.2	-178.2	57.1	162.3	0	0	0	111.9	F774 I780 C781 F869 L872 M873 C876	F774-I878 HydrophobicContact CD1-CD1 4.22Å; F774-I878 HydrophobicContact CD2-CD1 4.13Å; F774-I878 HydrophobicContact CE1-CD1 4.12Å; F774-I878 HydrophobicContact CE1-CG1 4.36Å; F774-I878 HydrophobicContact CE2-CD1 4.02Å; F774-I878 HydrophobicContact CE2-CG1 4.09Å; F774-I878 HydrophobicContact CG-CD1 4.23Å; F774-I878 HydrophobicContact CZ-CD1 4.01Å; F774-I878 HydrophobicContact CZ-CG1 3.9Å; I780-I878 HydrophobicContact CD1-CB 4.43Å; I780-I878 HydrophobicContact CD1-CD1 3.81Å; I780-I878 HydrophobicContact CD1-CG2 4.27Å; C781-I878 VanDerWaalsContact O-CA 3.3Å; C781-I878 WeakPolarHBondContact O-CA 3.25Å; F869-I878 HydrophobicContact CE2-CD1 4.46Å; L872-I878 HydrophobicContact CD1-CG2 4.07Å; L872-I878 HydrophobicContact CD2-CD1 3.91Å; L872-I878 HydrophobicContact CD2-CG2 4.11Å; L872-I878 HydrophobicContact CG-CD1 4.47Å; L872-I878 HydrophobicContact CG-CG2 3.87Å; M873-I878 HydrophobicContact SD-CD1 4.3Å; M873-I878 HydrophobicContact SD-CG1 3.5Å; M873-I878 WeakPolarHBondContact SD-CG1 3.27Å; C876-I878 HydrophobicContact CB-CG2 4.29Å
879	K	89.1	Confident	85.9	Confident	79 Å²	79	38.8 Å²	38.8	34%	0.343	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	156.7	171.1	-63	-160.6	-177.9	-140.3	0	110.7	D31 L772 I780 C781 T783	D31-K879 IonicContact OD1-NZ 2.78Å; D31-K879 IonicContact OD2-NZ 2.75Å; D31-K879 PolarHBondContact OD2-NZ 3.31Å; L772-K879 HydrophobicContact CD1-CD 4.48Å; L772-K879 HydrophobicContact CD1-CG 4.08Å; I780-K879 CarbonylContact C-O 3.52Å; I780-K879 WeakPolarHBondContact CA-O 3.5Å; C781-K879 PolarHBondContact N-O 3.33Å; C781-K879 PolarHBondContact O-N 3.47Å; T783-K879 HydrophobicContact CG2-CD 4.45Å; T783-K879 HydrophobicContact CG2-CG 4.16Å
880	H	90.4	Very high	85.8	Confident	10 Å²	10	38.6 Å²	38.6	5%	0.046	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.8	143.3	171.3	-72.6	-71.1	0	0	0	112.3	N753 C757 N765 V773 F774 D778 W882	N753-H880 HydrophobicContact CB-CB 4.08Å; N753-H880 PolarHBondContact ND2-O 2.99Å; C757-H880 VanDerWaalsContact SG-CE1 3.52Å; N765-H880 PolarHBondContact OD1-CD2 2.83Å; V773-H880 PolarHBondContact O-CE1 3.3Å; V773-H880 PolarHBondContact O-NE2 3.1Å; F774-H880 AromaticContact CD1-CE1 3.62Å; F774-H880 AromaticContact CD1-NE2 3.54Å; F774-H880 AromaticContact CE1-CD2 3.78Å; F774-H880 AromaticContact CE1-CE1 3.99Å; F774-H880 AromaticContact CE1-NE2 3.64Å; D778-H880 VanDerWaalsContact CG-CE1 3.45Å; D778-H880 IonicContact OD1-CE1 3.95Å; D778-H880 IonicContact OD1-ND1 3.62Å; D778-H880 IonicContact OD2-CE1 2.71Å; D778-H880 PolarHBondContact OD2-CE1 3.3Å; H880-W882 AromaticContact ND1-NE1 3.69Å
881	A	91.4	Very high	85.5	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	15%	0.152	C	C	.	.			trans	-134.6	9.8	-165.6	0	0	0	0	0	114	Q740 K779 C781 A883 R884	Q740-A881 PolarHBondContact NE2-O 3.29Å; K779-A881 HydrophobicContact CG-CB 4.34Å; K779-A881 WeakPolarHBondContact O-CA 3.38Å; K779-A881 WeakPolarHBondContact O-CB 3.38Å; K779-A881 PolarHBondContact O-N 2.87Å; C781-A881 HydrophobicContact CB-CB 3.74Å; A881-A883 PolarHBondContact O-N 3.03Å; A881-R884 HydrophobicContact CB-CG 4.32Å
882	W	92.6	Very high	85.5	Confident	7 Å²	7	32 Å²	32	3%	0.027	15%	0.146	C	C	.	.	S	Bend	trans	-55	-41.8	170.7	-45.1	104.8	0	0	0	111.1	A736 Q740 F741 N753 C756 C757 Y760 T761 G777 D778 K779 H880	A736-W882 HydrophobicContact CB-CE3 3.9Å; A736-W882 HydrophobicContact CB-CZ3 3.52Å; Q740-W882 PolarHBondContact NE2-O 3.01Å; F741-W882 WeakPolarHBondContact CB-O 3.45Å; F741-W882 PolarHBondContact N-O 2.98Å; F741-W882 VanDerWaalsContact N-O 3.15Å; N753-W882 WeakPolarHBondContact OD1-CB 3.47Å; N753-W882 PolarHBondContact OD1-N 2.81Å; N753-W882 VanDerWaalsContact OD1-N 3.13Å; C756-W882 HydrophobicContact CB-CB 3.4Å; C756-W882 HydrophobicContact CB-CD2 3.89Å; C756-W882 HydrophobicContact CB-CG 3.37Å; C757-W882 PolarHBondContact SG-NE1 3.12Å; Y760-W882 AromaticContact CD2-CD2 3.87Å; Y760-W882 HydrophobicContact CD2-CD2 3.87Å; Y760-W882 AromaticContact CD2-CE3 3.36Å; Y760-W882 HydrophobicContact CD2-CE3 3.36Å; Y760-W882 AromaticContact CD2-CH2 3.75Å; Y760-W882 HydrophobicContact CD2-CH2 3.75Å; Y760-W882 HydrophobicContact CD2-CZ2 4.18Å; Y760-W882 AromaticContact CD2-CZ3 3.32Å; Y760-W882 HydrophobicContact CD2-CZ3 3.32Å; Y760-W882 HydrophobicContact CE2-CD2 4.23Å; Y760-W882 AromaticContact CE2-CE3 3.59Å; Y760-W882 HydrophobicContact CE2-CE3 3.59Å; Y760-W882 AromaticContact CE2-CZ3 3.88Å; Y760-W882 HydrophobicContact CE2-CZ3 3.88Å; Y760-W882 HydrophobicContact CG-CE3 4.28Å; Y760-W882 AromaticContact CG-CH2 3.96Å; Y760-W882 HydrophobicContact CG-CH2 3.96Å; Y760-W882 AromaticContact CG-CZ3 3.78Å; Y760-W882 HydrophobicContact CG-CZ3 3.78Å; T761-W882 HydrophobicContact CG2-CH2 4.33Å; T761-W882 HydrophobicContact CG2-CZ2 4.13Å; G777-W882 WeakPolarHBondContact O-CH2 3.41Å; D778-W882 HydrophobicContact CB-CZ2 4.41Å; D778-W882 WeakPolarHBondContact OD1-CZ2 3.37Å; K779-W882 HydrophobicContact CB-CD2 3.72Å; K779-W882 HydrophobicContact CB-CE3 3.45Å; K779-W882 VanDerWaalsContact CB-CE3 3.45Å; K779-W882 HydrophobicContact CB-CG 4.5Å; K779-W882 HydrophobicContact CB-CH2 3.94Å; K779-W882 HydrophobicContact CB-CZ2 4.19Å; K779-W882 HydrophobicContact CB-CZ3 3.55Å; K779-W882 HydrophobicContact CD-CE3 3.97Å; K779-W882 HydrophobicContact CD-CZ3 4.42Å; K779-W882 HydrophobicContact CG-CE3 4.34Å; H880-W882 AromaticContact ND1-NE1 3.69Å
883	A	93.1	Very high	85.6	Confident	2 Å²	2	33.8 Å²	33.8	2%	0.017	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	138.5	168.2	0	0	0	0	0	112.1	F741 C749 I752 N753 A881	F741-A883 HydrophobicContact CB-CB 3.76Å; F741-A883 WeakPolarHBondContact O-CA 3.33Å; C749-A883 HydrophobicContact CB-CB 4.12Å; I752-A883 HydrophobicContact CB-CB 3.57Å; I752-A883 HydrophobicContact CD1-CB 4.19Å; I752-A883 HydrophobicContact CG2-CB 3.56Å; N753-A883 PolarHBondContact ND2-O 2.75Å; N753-A883 PolarHBondContact OD1-N 3.33Å; A881-A883 PolarHBondContact O-N 3.03Å
884	R	92	Very high	85.9	Confident	9 Å²	9	33 Å²	33	3%	0.034	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	153.2	-179.1	-59.1	-175.4	73	-152.3	-13.7	110.8	F741 I742 A743 C749 G835 A881 T888	F741-R884 PolarHBondContact O-N 2.91Å; I742-R884 VanDerWaalsContact CA-O 3.31Å; I742-R884 WeakPolarHBondContact CA-O 3.13Å; A743-R884 PolarHBondContact N-O 2.76Å; C749-R884 PolarHBondContact SG-O 2.91Å; G835-R884 PolarHBondContact O-NH1 2.72Å; G835-R884 PolarHBondContact O-NH2 3.24Å; A881-R884 HydrophobicContact CB-CG 4.32Å; R884-T888 PolarHBondContact NH2-O 2.89Å
885	T	91.7	Very high	86.4	Confident	19 Å²	19	29.5 Å²	29.5	12%	0.117	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	147.7	173.1	67.5	0	0	0	0	109.9	A743 R746 C749 H887 T888 F889	A743-T885 CarbonylContact O-C 3.34Å; A743-T885 WeakPolarHBondContact O-CA 3.34Å; R746-T885 HydrophobicContact CG-CG2 3.68Å; C749-T885 PolarHBondContact SG-N 2.89Å; C749-T885 VanDerWaalsContact SG-N 3.42Å; T885-H887 PolarHBondContact O-N 2.88Å; T885-H887 VanDerWaalsContact O-N 3.15Å; T885-T888 PolarHBondContact N-OG1 3.06Å; T885-T888 PolarHBondContact O-N 2.86Å; T885-T888 PolarHBondContact O-OG1 2.99Å; T885-T888 VanDerWaalsContact O-OG1 3.13Å; T885-T888 WeakPolarHBondContact OG1-CG2 3.37Å; T885-T888 PolarHBondContact OG1-N 2.67Å; T885-T888 PolarHBondContact OG1-OG1 3.27Å; T885-F889 PolarHBondContact O-N 3.37Å; T885-F889 VanDerWaalsContact O-N 3.12Å
886	I	91.1	Very high	87.3	Confident	3 Å²	3	25.5 Å²	25.5	2%	0.015	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.4	-39.6	176.6	-171.2	174.1	0	0	0	113.2	L625 I742 A743 F744 F889 Q890 Y899 H911 T914 A915	L625-I886 HydrophobicContact CD1-CD1 3.94Å; L625-I886 HydrophobicContact CD1-CG1 4.22Å; L625-I886 HydrophobicContact CD1-CG2 4.4Å; I742-I886 HydrophobicContact CG2-CB 3.8Å; I742-I886 HydrophobicContact CG2-CG1 4.21Å; A743-I886 PolarHBondContact O-N 3.37Å; F744-I886 HydrophobicContact CD2-CG2 4.46Å; I886-F889 PolarHBondContact O-N 3.02Å; I886-Q890 WeakPolarHBondContact O-CG 3.47Å; I886-Q890 PolarHBondContact O-N 2.76Å; I886-Y899 HydrophobicContact CD1-CE2 4.25Å; I886-H911 HydrophobicContact CD1-CB 4.07Å; I886-H911 WeakPolarHBondContact CD1-O 3.37Å; I886-T914 HydrophobicContact CD1-CG2 4.43Å; I886-T914 HydrophobicContact CG1-CG2 4.46Å; I886-A915 HydrophobicContact CD1-CB 3.86Å; I886-A915 HydrophobicContact CG1-CB 4.47Å
887	H	86.4	Confident	88.2	Confident	62 Å²	62	25.5 Å²	25.5	29%	0.287	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-43.7	177.4	-65	101.1	0	0	0	112.5	I628 T885 F889 Q890 H911	I628-H887 HydrophobicContact CD1-CB 4.36Å; T885-H887 PolarHBondContact O-N 2.88Å; T885-H887 VanDerWaalsContact O-N 3.15Å; H887-F889 VanDerWaalsContact C-N 3.26Å; H887-F889 PolarHBondContact O-N 3.39Å; H887-Q890 WeakPolarHBondContact O-CG 3.47Å; H887-Q890 PolarHBondContact O-N 2.93Å; H887-Q890 PolarHBondContact O-OE1 3.08Å; H887-H911 AromaticContact CE1-NE2 3.64Å; H887-H911 AromaticContact NE2-NE2 3.81Å
888	T	85.2	Confident	88.9	Confident	70 Å²	70	20.2 Å²	20.2	43%	0.429	10%	0.101	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-11.3	179.1	55.5	0	0	0	0	114	R884 T885	R884-T888 PolarHBondContact NH2-O 2.89Å; T885-T888 PolarHBondContact N-OG1 3.06Å; T885-T888 PolarHBondContact O-N 2.86Å; T885-T888 PolarHBondContact O-OG1 2.99Å; T885-T888 VanDerWaalsContact O-OG1 3.13Å; T885-T888 WeakPolarHBondContact OG1-CG2 3.37Å; T885-T888 PolarHBondContact OG1-N 2.67Å; T885-T888 PolarHBondContact OG1-OG1 3.27Å
889	F	87	Confident	89.4	Confident	3 Å²	3	20 Å²	20	1%	0.013	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.7	1.6	172.8	-158	-108.6	0	0	0	114.2	Q740 I742 I837 T885 I886 H887 S892 E894 R918	Q740-F889 HydrophobicContact CB-CE2 4.3Å; Q740-F889 HydrophobicContact CB-CZ 4.05Å; Q740-F889 HydrophobicContact CG-CD2 3.97Å; Q740-F889 HydrophobicContact CG-CE1 4.24Å; Q740-F889 HydrophobicContact CG-CE2 3.55Å; Q740-F889 HydrophobicContact CG-CG 4.49Å; Q740-F889 HydrophobicContact CG-CZ 3.7Å; I742-F889 HydrophobicContact CD1-CD1 3.45Å; I742-F889 VanDerWaalsContact CD1-CD1 3.45Å; I742-F889 HydrophobicContact CD1-CE1 3.91Å; I742-F889 HydrophobicContact CD1-CG 4.17Å; I742-F889 HydrophobicContact CG1-CD1 4.17Å; I742-F889 HydrophobicContact CG1-CG 4.47Å; I837-F889 HydrophobicContact CD1-CE2 4.32Å; T885-F889 PolarHBondContact O-N 3.37Å; T885-F889 VanDerWaalsContact O-N 3.12Å; I886-F889 PolarHBondContact O-N 3.02Å; H887-F889 VanDerWaalsContact C-N 3.26Å; H887-F889 PolarHBondContact O-N 3.39Å; F889-S892 VanDerWaalsContact CE2-CB 3.45Å; F889-S892 WeakPolarHBondContact O-CB 3.42Å; F889-S892 PolarHBondContact O-N 2.88Å; F889-S892 VanDerWaalsContact O-N 3.16Å; F889-E894 HydrophobicContact CZ-CB 4.19Å; F889-R918 HydrophobicContact CD1-CB 4.31Å; F889-R918 HydrophobicContact CE1-CB 4.21Å
890	Q	84	Confident	89.6	Confident	16 Å²	16	16.3 Å²	16.3	8%	0.075	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	143.5	173.2	-63.6	176.6	-78.8	0	0	110.8	L594 L625 I886 H887 S892	L594-Q890 HydrophobicContact CD1-CB 3.71Å; L594-Q890 HydrophobicContact CD2-CB 3.81Å; L594-Q890 HydrophobicContact CD2-CG 4.08Å; L594-Q890 HydrophobicContact CG-CB 4.44Å; L625-Q890 PolarHBondContact O-NE2 3.33Å; I886-Q890 WeakPolarHBondContact O-CG 3.47Å; I886-Q890 PolarHBondContact O-N 2.76Å; H887-Q890 WeakPolarHBondContact O-CG 3.47Å; H887-Q890 PolarHBondContact O-N 2.93Å; H887-Q890 PolarHBondContact O-OE1 3.08Å; Q890-S892 VanDerWaalsContact C-N 3.25Å; Q890-S892 PolarHBondContact O-N 2.96Å
891	G	78.4	Confident	89.7	Confident	4 Å²	4	15.9 Å²	15.9	4%	0.041	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.8	-0.8	-172.6	0	0	0	0	0	116.1
892	S	83.6	Confident	89.3	Confident	2 Å²	2	16 Å²	16	1%	0.014	8%	0.083	C	C	.	.			trans	-97.2	166.3	169.7	-61.4	0	0	0	0	111.8	K542 F889 Q890 R918	K542-S892 WeakPolarHBondContact CD-OG 3.42Å; K542-S892 WeakPolarHBondContact CE-OG 3.42Å; K542-S892 PolarHBondContact NZ-OG 2.81Å; F889-S892 VanDerWaalsContact CE2-CB 3.45Å; F889-S892 WeakPolarHBondContact O-CB 3.42Å; F889-S892 PolarHBondContact O-N 2.88Å; F889-S892 VanDerWaalsContact O-N 3.16Å; Q890-S892 VanDerWaalsContact C-N 3.25Å; Q890-S892 PolarHBondContact O-N 2.96Å; S892-R918 WeakPolarHBondContact O-CD 3.44Å; S892-R918 PolarHBondContact O-NH1 3.41Å
893	E	86.9	Confident	88.6	Confident	38 Å²	38	18.4 Å²	18.4	18%	0.178	9%	0.094	C	C	.	.			trans	-143.7	154.1	162.2	-59.5	-176.6	110.9	0	0	107	K550 R655 R918 R920	K550-E893 IonicContact NZ-OE2 3.9Å; K550-E893 PolarHBondContact NZ-OE2 2.99Å; R655-E893 IonicContact CZ-OE1 2.71Å; R655-E893 IonicContact CZ-OE2 3.87Å; R655-E893 IonicContact NH1-OE1 3.1Å; R655-E893 PolarHBondContact NH1-OE1 2.89Å; R655-E893 IonicContact NH2-OE1 2.68Å; R655-E893 PolarHBondContact NH2-OE1 3.4Å; R655-E893 IonicContact NH2-OE2 3.15Å; R655-E893 PolarHBondContact NH2-OE2 3.43Å; E893-R918 CarbonylContact C-O 3.57Å; E893-R918 WeakPolarHBondContact CA-O 3.39Å; E893-R920 HydrophobicContact CB-CG 4.3Å
894	E	88.6	Confident	87.6	Confident	30 Å²	30	19.5 Å²	19.5	14%	0.14	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	157	-179.5	-164.4	53.8	-94.1	0	0	111.3	Q740 F889 V897 R918 G919 R920	Q740-E894 HydrophobicContact CB-CB 4.29Å; Q740-E894 HydrophobicContact CB-CG 4.02Å; F889-E894 HydrophobicContact CZ-CB 4.19Å; E894-V897 HydrophobicContact CB-CG2 4.03Å; E894-R918 PolarHBondContact N-O 2.97Å; E894-G919 CarbonylContact O-C 3.53Å; E894-G919 WeakPolarHBondContact O-CA 3.35Å; E894-R920 PolarHBondContact O-N 2.93Å
895	Q	89.1	Confident	86.7	Confident	57 Å²	57	22 Å²	22	27%	0.266	13%	0.132	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	-52.1	-179.8	-59.4	-67.1	82.8	0	0	111.2	C921 R922	Q895-C921 VanDerWaalsContact CD-SG 3.59Å; Q895-C921 PolarHBondContact NE2-SG 3.28Å; Q895-C921 VanDerWaalsContact NE2-SG 3.43Å; Q895-C921 PolarHBondContact O-N 3.3Å; Q895-R922 PolarHBondContact O-N 3.04Å; Q895-R922 VanDerWaalsContact O-N 3.1Å
896	T	91.4	Very high	86.3	Confident	10 Å²	10	27.4 Å²	27.4	6%	0.061	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	124.9	175.9	-61.9	0	0	0	0	111.2	L733 T738 S739 Q740 R922 Y924	L733-T896 HydrophobicContact CD2-CG2 3.87Å; T738-T896 PolarHBondContact O-N 3.45Å; S739-T896 VanDerWaalsContact CA-O 3.28Å; S739-T896 WeakPolarHBondContact CA-O 3.44Å; Q740-T896 PolarHBondContact N-O 3.16Å; T896-R922 WeakPolarHBondContact CA-O 3.37Å; T896-R922 HydrophobicContact CG2-CB 4.34Å; T896-R922 HydrophobicContact CG2-CG 4.29Å; T896-Y924 HydrophobicContact CG2-CD2 4.11Å; T896-Y924 HydrophobicContact CG2-CE2 3.85Å
897	V	93.6	Very high	86.2	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	131.9	175	164.8	0	0	0	0	111.1	I742 E894 R922 V923 Y924	I742-V897 HydrophobicContact CD1-CG1 3.59Å; I742-V897 HydrophobicContact CD1-CG2 4.28Å; I742-V897 HydrophobicContact CG1-CG1 4.14Å; E894-V897 HydrophobicContact CB-CG2 4.03Å; V897-R922 PolarHBondContact N-O 2.96Å; V897-V923 CarbonylContact O-C 3.39Å; V897-V923 VanDerWaalsContact O-CA 3.32Å; V897-V923 WeakPolarHBondContact O-CA 3.41Å; V897-Y924 PolarHBondContact O-N 3.12Å
898	V	95.4	Very high	86.6	Confident	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	109.1	173.2	-175.8	0	0	0	0	108.8	L733 Q740 F741 I742 Y924 I926	L733-V898 HydrophobicContact CD1-CG2 4.03Å; L733-V898 HydrophobicContact CD2-CG2 3.8Å; Q740-V898 PolarHBondContact O-N 3.5Å; F741-V898 CarbonylContact C-O 3.04Å; F741-V898 WeakPolarHBondContact CA-O 3.41Å; F741-V898 HydrophobicContact CD1-CB 3.62Å; F741-V898 HydrophobicContact CD1-CG1 3.56Å; F741-V898 HydrophobicContact CD1-CG2 4.24Å; F741-V898 HydrophobicContact CE1-CB 3.88Å; F741-V898 HydrophobicContact CE1-CG1 3.61Å; F741-V898 HydrophobicContact CE1-CG2 4.06Å; F741-V898 HydrophobicContact CG-CB 4.12Å; F741-V898 HydrophobicContact CZ-CG2 4.29Å; I742-V898 PolarHBondContact N-O 3.45Å; V898-Y924 HydrophobicContact CG2-CD2 3.96Å; V898-Y924 HydrophobicContact CG2-CG 4.34Å; V898-I926 HydrophobicContact CG1-CD1 3.54Å; V898-I926 HydrophobicContact CG1-CG1 3.88Å
899	Y	96.1	Very high	87	Confident	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	123.5	-178.4	-176.7	-129	0	0	0	112.4	I742 I886 V901 Q907 V912 A915 Y924 V925 I926	I742-Y899 HydrophobicContact CB-CD2 4.13Å; I742-Y899 HydrophobicContact CG2-CD2 3.97Å; I742-Y899 HydrophobicContact CG2-CE2 4.27Å; I742-Y899 CarbonylContact O-C 3.48Å; I742-Y899 WeakPolarHBondContact O-CA 3.49Å; I742-Y899 WeakPolarHBondContact O-CD2 3.26Å; I886-Y899 HydrophobicContact CD1-CE2 4.25Å; Y899-V901 HydrophobicContact CD1-CG2 3.86Å; Y899-V901 HydrophobicContact CE1-CG2 3.6Å; Y899-Q907 PolarHBondContact OH-NE2 3.13Å; Y899-V912 HydrophobicContact CE1-CB 4.31Å; Y899-V912 HydrophobicContact CE1-CG1 4.2Å; Y899-V912 HydrophobicContact CE1-CG2 4.31Å; Y899-A915 HydrophobicContact CD1-CB 3.74Å; Y899-A915 HydrophobicContact CD2-CB 3.29Å; Y899-A915 HydrophobicContact CE1-CB 3.89Å; Y899-A915 HydrophobicContact CE2-CB 3.48Å; Y899-A915 VanDerWaalsContact CE2-CB 3.48Å; Y899-A915 HydrophobicContact CG-CB 3.41Å; Y899-A915 VanDerWaalsContact CG-CB 3.41Å; Y899-Y924 PolarHBondContact N-O 2.88Å; Y899-V925 CarbonylContact O-C 3.58Å; Y899-V925 WeakPolarHBondContact O-CA 3.39Å; Y899-I926 PolarHBondContact O-N 2.69Å
900	V	94.8	Very high	87.4	Confident	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	121.3	178.8	-173.4	0	0	0	0	111.1	L720 I742 A743 I752 I926	L720-V900 HydrophobicContact CD1-CG1 3.67Å; L720-V900 HydrophobicContact CD1-CG2 4.3Å; L720-V900 HydrophobicContact CD2-CG1 4Å; I742-V900 PolarHBondContact O-N 2.79Å; A743-V900 HydrophobicContact CB-CB 4.01Å; I752-V900 HydrophobicContact CD1-CB 4.46Å; I752-V900 HydrophobicContact CD1-CG2 3.75Å; V900-I926 HydrophobicContact CG2-CB 4.26Å; V900-I926 HydrophobicContact CG2-CD1 4.09Å; V900-I926 HydrophobicContact CG2-CG1 4.47Å
901	V	91.9	Very high	87.9	Confident	1 Å²	1	23.8 Å²	23.8	1%	0.006	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	87.9	176.7	-178.6	0	0	0	0	109.4	Y899 V925 I926 A927 Q931 L932 A935	Y899-V901 HydrophobicContact CD1-CG2 3.86Å; Y899-V901 HydrophobicContact CE1-CG2 3.6Å; V901-V925 HydrophobicContact CG2-CG1 4.29Å; V901-I926 PolarHBondContact N-O 3.02Å; V901-A927 HydrophobicContact CB-CB 3.69Å; V901-A927 HydrophobicContact CG1-CB 4.36Å; V901-A927 HydrophobicContact CG2-CB 4.16Å; V901-Q931 HydrophobicContact CG1-CB 4.29Å; V901-L932 HydrophobicContact CG2-CD1 4.13Å; V901-A935 HydrophobicContact CG1-CB 4.43Å
902	G	83.3	Confident	88.7	Confident	2 Å²	2	23.7 Å²	23.7	2%	0.021	13%	0.126	C	C	.	.			trans	-76.6	157.7	174	0	0	0	0	0	113	A904 Q907	G902-A904 PolarHBondContact O-N 3.22Å; G902-Q907 PolarHBondContact O-OE1 3.4Å
903	K	77.8	Confident	89.2	Confident	58 Å²	58	23.6 Å²	23.6	25%	0.252	13%	0.125	S	C	.	.	S	Bend	trans	-60.5	100.3	172.7	-76.1	166.8	162.2	136.9	0	111.1	E705 R745 E928 Q931	E705-K903 IonicContact OE1-NZ 2.71Å; E705-K903 PolarHBondContact OE1-NZ 2.98Å; E705-K903 IonicContact OE2-NZ 2.7Å; E705-K903 PolarHBondContact OE2-NZ 3.23Å; R745-K903 PolarHBondContact NH1-O 3.39Å; K903-E928 WeakPolarHBondContact CE-OE1 3.44Å; K903-E928 WeakPolarHBondContact CE-OE2 3.35Å; K903-E928 IonicContact NZ-OE1 3.31Å; K903-E928 PolarHBondContact NZ-OE1 3.49Å; K903-E928 IonicContact NZ-OE2 3.57Å; K903-E928 PolarHBondContact NZ-OE2 2.76Å; K903-Q931 HydrophobicContact CG-CG 4.06Å
904	A	71.2	Confident	89.5	Confident	25 Å²	25	21.8 Å²	21.8	21%	0.207	12%	0.117	C	C	.	.			trans	-148.2	106.8	-172.4	0	0	0	0	0	114.2	F744 R745 G902 R906 Q907	F744-A904 HydrophobicContact CD1-CB 3.31Å; F744-A904 HydrophobicContact CE1-CB 3.53Å; F744-A904 HydrophobicContact CG-CB 4.25Å; R745-A904 HydrophobicContact CG-CB 4.25Å; G902-A904 PolarHBondContact O-N 3.22Å; A904-R906 PolarHBondContact O-N 3Å; A904-Q907 HydrophobicContact CB-CB 4.15Å; A904-Q907 WeakPolarHBondContact O-CB 3.37Å; A904-Q907 PolarHBondContact O-N 3.39Å
905	G	73	Confident	89.8	Confident	63 Å²	63	20.4 Å²	20.4	65%	0.649	11%	0.11	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-12.7	-173.2	0	0	0	0	0	117.6	K938	G905-K938 PolarHBondContact O-NZ 2.7Å
906	R	83.4	Confident	89.9	Confident	131 Å²	131	17.7 Å²	17.7	49%	0.494	10%	0.098	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.3	-10.8	173.8	-70.6	-171.1	178.3	-172.5	1.3	113.8	E307 F744 A904 H908	E307-R906 IonicContact OE2-CZ 3.16Å; E307-R906 IonicContact OE2-NH1 2.72Å; E307-R906 PolarHBondContact OE2-NH1 2.66Å; E307-R906 IonicContact OE2-NH2 2.87Å; E307-R906 PolarHBondContact OE2-NH2 2.7Å; F744-R906 HydrophobicContact CZ-CB 4.35Å; A904-R906 PolarHBondContact O-N 3Å; R906-H908 PolarHBondContact O-ND1 3.15Å
907	Q	89.8	Confident	89.9	Confident	7 Å²	7	17.6 Å²	17.6	3%	0.033	10%	0.097	C	C	.	.			trans	-68.4	144.1	176.4	-167.1	171	-7.3	0	0	110.5	F744 Y899 G902 A904 H911 A935	F744-Q907 HydrophobicContact CD1-CB 4.49Å; F744-Q907 HydrophobicContact CD2-CB 4.13Å; F744-Q907 HydrophobicContact CD2-CG 4.06Å; F744-Q907 HydrophobicContact CE2-CB 4.29Å; F744-Q907 HydrophobicContact CG-CB 4.24Å; F744-Q907 HydrophobicContact CG-CG 4.24Å; Y899-Q907 PolarHBondContact OH-NE2 3.13Å; G902-Q907 PolarHBondContact O-OE1 3.4Å; A904-Q907 HydrophobicContact CB-CB 4.15Å; A904-Q907 WeakPolarHBondContact O-CB 3.37Å; A904-Q907 PolarHBondContact O-N 3.39Å; Q907-H911 HydrophobicContact CG-CB 4.04Å; Q907-A935 HydrophobicContact CG-CB 4.32Å
908	H	93.2	Very high	89.7	Confident	15 Å²	15	17.9 Å²	17.9	7%	0.069	10%	0.098	C	C	.	.			trans	-165.5	175.2	-171.2	62.8	-102.1	0	0	0	110.3	R906 Q910 H911 A935 K938 S940	R906-H908 PolarHBondContact O-ND1 3.15Å; H908-Q910 VanDerWaalsContact C-N 3.29Å; H908-Q910 PolarHBondContact O-N 2.87Å; H908-H911 AromaticContact CD2-ND1 3.84Å; H908-H911 AromaticContact CE1-CE1 3.21Å; H908-H911 PolarHBondContact CE1-CE1 3.16Å; H908-H911 AromaticContact CE1-ND1 3.5Å; H908-H911 AromaticContact CG-ND1 3.65Å; H908-H911 PolarHBondContact N-ND1 3.02Å; H908-H911 AromaticContact ND1-CE1 3.35Å; H908-H911 PolarHBondContact ND1-CE1 2.81Å; H908-H911 AromaticContact ND1-ND1 3.41Å; H908-H911 PolarHBondContact ND1-ND1 3.05Å; H908-H911 AromaticContact NE2-CE1 3.82Å; H908-H911 AromaticContact NE2-ND1 3.75Å; H908-H911 WeakPolarHBondContact O-CB 3.49Å; H908-H911 PolarHBondContact O-N 2.94Å; H908-H911 PolarHBondContact O-ND1 3Å; H908-A935 CarbonylContact C-O 3.55Å; H908-A935 WeakPolarHBondContact CA-O 3.36Å; H908-K938 HydrophobicContact CB-CB 4.15Å; H908-K938 HydrophobicContact CB-CG 4Å; H908-K938 WeakPolarHBondContact CB-O 3.34Å; H908-S940 VanDerWaalsContact CD2-CA 3.48Å; H908-S940 WeakPolarHBondContact CD2-CA 3.2Å; H908-S940 VanDerWaalsContact CD2-CB 3.42Å; H908-S940 WeakPolarHBondContact CD2-CB 3.49Å; H908-S940 VanDerWaalsContact NE2-CB 3.35Å; H908-S940 WeakPolarHBondContact NE2-CB 3.44Å
909	W	94.8	Very high	89.4	Confident	25 Å²	25	18 Å²	18	10%	0.095	10%	0.1	C	C	.	.	H	α-helix	trans	-53.1	-37.2	-162.8	76.2	-88.8	0	0	0	115.4	R623 H911 V912 Y913 A935 I936 K938 S940	R623-W909 HydrophobicContact CB-CH2 4Å; R623-W909 HydrophobicContact CB-CZ3 4.08Å; R623-W909 HydrophobicContact CG-CH2 4.3Å; W909-H911 PolarHBondContact O-N 3.37Å; W909-V912 PolarHBondContact O-N 3.08Å; W909-Y913 HydrophobicContact CZ3-CD2 4.37Å; W909-Y913 HydrophobicContact CZ3-CG 4.21Å; W909-Y913 WeakPolarHBondContact O-CB 3.22Å; W909-Y913 PolarHBondContact O-N 3.3Å; W909-A935 WeakPolarHBondContact CA-O 3.44Å; W909-A935 PolarHBondContact N-O 2.61Å; W909-I936 WeakPolarHBondContact CB-O 3.37Å; W909-K938 PolarHBondContact N-O 3.38Å; W909-S940 PolarHBondContact NE1-OG 3.4Å
910	Q	94.5	Very high	89	Confident	22 Å²	22	22.4 Å²	22.4	10%	0.103	12%	0.116	C	C	.	.	H	α-helix	trans	-63.3	-27.3	178.8	-61.8	-164.7	-103.5	0	0	113.1	R623 Q624 L625 H908 T914 S940	R623-Q910 PolarHBondContact O-NE2 2.9Å; Q624-Q910 PolarHBondContact O-NE2 2.93Å; L625-Q910 HydrophobicContact CD2-CB 3.77Å; L625-Q910 HydrophobicContact CG-CB 4.29Å; H908-Q910 VanDerWaalsContact C-N 3.29Å; H908-Q910 PolarHBondContact O-N 2.87Å; Q910-T914 WeakPolarHBondContact O-CB 3.4Å; Q910-T914 PolarHBondContact O-N 2.83Å; Q910-T914 PolarHBondContact O-OG1 3.45Å; Q910-S940 PolarHBondContact OE1-OG 3.42Å
911	H	94.6	Very high	88.7	Confident	9 Å²	9	23.7 Å²	23.7	4%	0.042	13%	0.125	C	C	.	.	H	α-helix	trans	-69.9	-50.9	173	-62.9	91.8	0	0	0	110.7	F744 I886 H887 Q907 H908 W909 Y913 T914 A915	F744-H911 AromaticContact CD2-CD2 3.68Å; F744-H911 AromaticContact CD2-NE2 3.95Å; F744-H911 AromaticContact CE2-CD2 3.65Å; F744-H911 AromaticContact CE2-CE1 3.97Å; F744-H911 AromaticContact CE2-NE2 3.4Å; F744-H911 WeakPolarHBondContact CE2-NE2 3.44Å; I886-H911 HydrophobicContact CD1-CB 4.07Å; I886-H911 WeakPolarHBondContact CD1-O 3.37Å; H887-H911 AromaticContact CE1-NE2 3.64Å; H887-H911 AromaticContact NE2-NE2 3.81Å; Q907-H911 HydrophobicContact CG-CB 4.04Å; H908-H911 AromaticContact CD2-ND1 3.84Å; H908-H911 AromaticContact CE1-CE1 3.21Å; H908-H911 PolarHBondContact CE1-CE1 3.16Å; H908-H911 AromaticContact CE1-ND1 3.5Å; H908-H911 AromaticContact CG-ND1 3.65Å; H908-H911 PolarHBondContact N-ND1 3.02Å; H908-H911 AromaticContact ND1-CE1 3.35Å; H908-H911 PolarHBondContact ND1-CE1 2.81Å; H908-H911 AromaticContact ND1-ND1 3.41Å; H908-H911 PolarHBondContact ND1-ND1 3.05Å; H908-H911 AromaticContact NE2-CE1 3.82Å; H908-H911 AromaticContact NE2-ND1 3.75Å; H908-H911 WeakPolarHBondContact O-CB 3.49Å; H908-H911 PolarHBondContact O-N 2.94Å; H908-H911 PolarHBondContact O-ND1 3Å; W909-H911 PolarHBondContact O-N 3.37Å; H911-Y913 VanDerWaalsContact C-N 3.32Å; H911-Y913 PolarHBondContact O-N 3.01Å; H911-T914 PolarHBondContact O-N 3.03Å; H911-A915 PolarHBondContact O-N 3.41Å
912	V	94.9	Very high	88.5	Confident	2 Å²	2	25.1 Å²	25.1	1%	0.012	13%	0.131	C	C	.	.	H	α-helix	trans	-61.1	-44.2	178.6	-166	0	0	0	0	110.4	I668 Y899 W909 V916 L932 A935 I936	I668-V912 HydrophobicContact CD1-CG1 4Å; I668-V912 HydrophobicContact CG2-CB 4.08Å; I668-V912 HydrophobicContact CG2-CG1 4.39Å; Y899-V912 HydrophobicContact CE1-CB 4.31Å; Y899-V912 HydrophobicContact CE1-CG1 4.2Å; Y899-V912 HydrophobicContact CE1-CG2 4.31Å; W909-V912 PolarHBondContact O-N 3.08Å; V912-V916 WeakPolarHBondContact O-CB 3.42Å; V912-V916 VanDerWaalsContact O-CG2 3.27Å; V912-V916 WeakPolarHBondContact O-CG2 3.47Å; V912-V916 PolarHBondContact O-N 3.46Å; V912-L932 HydrophobicContact CG1-CD1 3.95Å; V912-A935 HydrophobicContact CG2-CB 3.84Å; V912-I936 HydrophobicContact CB-CG1 4.42Å; V912-I936 HydrophobicContact CG1-CG1 4.24Å; V912-I936 HydrophobicContact CG2-CG1 4.25Å
913	Y	94.9	Very high	89	Confident	0 Å²	0	25 Å²	25	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-56.3	-53.9	173.4	-180	-89.9	0	0	0	111.9	K476 D621 R623 Q624 A665 W909 H911 A915 V916 T917	K476-Y913 WeakPolarHBondContact CD-OH 3.44Å; K476-Y913 WeakPolarHBondContact CG-OH 3.46Å; D621-Y913 VanDerWaalsContact OD2-CE1 3.26Å; D621-Y913 WeakPolarHBondContact OD2-CE1 3.4Å; D621-Y913 PolarHBondContact OD2-OH 3.01Å; R623-Y913 HydrophobicContact CB-CD1 3.96Å; R623-Y913 HydrophobicContact CB-CE1 3.43Å; R623-Y913 VanDerWaalsContact CB-CE1 3.43Å; R623-Y913 HydrophobicContact CB-CE2 4.06Å; R623-Y913 HydrophobicContact CB-CG 4.5Å; R623-Y913 VanDerWaalsContact CB-CZ 3.49Å; R623-Y913 WeakPolarHBondContact CD-OH 3.26Å; Q624-Y913 HydrophobicContact CG-CD1 4.18Å; Q624-Y913 HydrophobicContact CG-CE1 3.85Å; A665-Y913 HydrophobicContact CB-CD2 4.01Å; A665-Y913 HydrophobicContact CB-CE2 3.75Å; A665-Y913 WeakPolarHBondContact O-CD2 3.46Å; A665-Y913 VanDerWaalsContact O-CE2 3.28Å; A665-Y913 WeakPolarHBondContact O-CE2 3.35Å; W909-Y913 HydrophobicContact CZ3-CD2 4.37Å; W909-Y913 HydrophobicContact CZ3-CG 4.21Å; W909-Y913 WeakPolarHBondContact O-CB 3.22Å; W909-Y913 PolarHBondContact O-N 3.3Å; H911-Y913 VanDerWaalsContact C-N 3.32Å; H911-Y913 PolarHBondContact O-N 3.01Å; Y913-A915 PolarHBondContact O-N 3.31Å; Y913-V916 PolarHBondContact O-N 3.42Å; Y913-T917 HydrophobicContact CD1-CG2 4.21Å; Y913-T917 HydrophobicContact CE1-CG2 3.81Å; Y913-T917 HydrophobicContact CE2-CG2 4.19Å; Y913-T917 WeakPolarHBondContact O-CG2 3.24Å; Y913-T917 PolarHBondContact O-N 3.01Å; Y913-T917 PolarHBondContact O-OG1 2.94Å
914	T	93.9	Very high	89.7	Confident	1 Å²	1	22.3 Å²	22.3	1%	0.006	12%	0.118	C	C	.	.	H	α-helix	trans	-62.2	-43.3	-175.8	-58.4	0	0	0	0	110.6	Q624 L625 I886 Q910 H911 T917 R918	Q624-T914 WeakPolarHBondContact CA-OG1 3.33Å; Q624-T914 HydrophobicContact CG-CG2 4.4Å; L625-T914 HydrophobicContact CD1-CG2 4.39Å; L625-T914 PolarHBondContact N-OG1 3.14Å; I886-T914 HydrophobicContact CD1-CG2 4.43Å; I886-T914 HydrophobicContact CG1-CG2 4.46Å; Q910-T914 WeakPolarHBondContact O-CB 3.4Å; Q910-T914 PolarHBondContact O-N 2.83Å; Q910-T914 PolarHBondContact O-OG1 3.45Å; H911-T914 PolarHBondContact O-N 3.03Å; T914-T917 PolarHBondContact O-N 2.9Å; T914-T917 PolarHBondContact O-OG1 3.38Å; T914-R918 WeakPolarHBondContact O-CG 3.37Å
915	A	93.8	Very high	90.9	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-62.8	-47.4	176.8	0	0	0	0	0	112.6	I886 Y899 H911 Y913 T917 R918	I886-A915 HydrophobicContact CD1-CB 3.86Å; I886-A915 HydrophobicContact CG1-CB 4.47Å; Y899-A915 HydrophobicContact CD1-CB 3.74Å; Y899-A915 HydrophobicContact CD2-CB 3.29Å; Y899-A915 HydrophobicContact CE1-CB 3.89Å; Y899-A915 HydrophobicContact CE2-CB 3.48Å; Y899-A915 VanDerWaalsContact CE2-CB 3.48Å; Y899-A915 HydrophobicContact CG-CB 3.41Å; Y899-A915 VanDerWaalsContact CG-CB 3.41Å; H911-A915 PolarHBondContact O-N 3.41Å; Y913-A915 PolarHBondContact O-N 3.31Å; A915-T917 VanDerWaalsContact C-N 3.33Å; A915-T917 PolarHBondContact O-N 2.76Å; A915-R918 PolarHBondContact O-N 3.49Å; A915-R918 VanDerWaalsContact O-N 3.13Å
916	V	92.5	Very high	91.9	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-58.3	-43.3	177.9	165.1	0	0	0	0	111.6	I661 A665 I668 F697 V912 Y913 R918 G919 V923	I661-V916 HydrophobicContact CG2-CG1 3.92Å; I661-V916 WeakPolarHBondContact CG2-O 3.36Å; A665-V916 HydrophobicContact CB-CG1 4.25Å; I668-V916 HydrophobicContact CD1-CB 4.44Å; I668-V916 HydrophobicContact CD1-CG2 3.94Å; F697-V916 HydrophobicContact CE2-CB 4.46Å; F697-V916 HydrophobicContact CE2-CG1 3.78Å; F697-V916 HydrophobicContact CE2-CG2 3.89Å; F697-V916 HydrophobicContact CZ-CG1 4.28Å; F697-V916 HydrophobicContact CZ-CG2 3.79Å; V912-V916 WeakPolarHBondContact O-CB 3.42Å; V912-V916 VanDerWaalsContact O-CG2 3.27Å; V912-V916 WeakPolarHBondContact O-CG2 3.47Å; V912-V916 PolarHBondContact O-N 3.46Å; Y913-V916 PolarHBondContact O-N 3.42Å; V916-R918 PolarHBondContact O-N 2.98Å; V916-R918 VanDerWaalsContact O-N 3.09Å; V916-G919 PolarHBondContact O-N 3.33Å; V916-V923 HydrophobicContact CG2-CG1 4.44Å
917	T	90.6	Very high	92.3	Very high	9 Å²	9	12 Å²	12	6%	0.055	5%	0.054	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-3.2	179.7	57.1	0	0	0	0	115.4	A665 Y913 T914 A915	A665-T917 HydrophobicContact CB-CG2 3.72Å; Y913-T917 HydrophobicContact CD1-CG2 4.21Å; Y913-T917 HydrophobicContact CE1-CG2 3.81Å; Y913-T917 HydrophobicContact CE2-CG2 4.19Å; Y913-T917 WeakPolarHBondContact O-CG2 3.24Å; Y913-T917 PolarHBondContact O-N 3.01Å; Y913-T917 PolarHBondContact O-OG1 2.94Å; T914-T917 PolarHBondContact O-N 2.9Å; T914-T917 PolarHBondContact O-OG1 3.38Å; A915-T917 VanDerWaalsContact C-N 3.33Å; A915-T917 PolarHBondContact O-N 2.76Å
918	R	89.8	Confident	92.4	Very high	5 Å²	5	11.8 Å²	11.8	2%	0.019	5%	0.053	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.8	-14.1	-178.6	-62.2	-81.5	167.3	-166.1	0.4	112.8	E591 I742 F889 S892 E893 E894 T914 A915 V916	E591-R918 VanDerWaalsContact CD-NH2 3.31Å; E591-R918 IonicContact OE1-CZ 2.67Å; E591-R918 IonicContact OE1-NH1 2.83Å; E591-R918 PolarHBondContact OE1-NH1 3.15Å; E591-R918 IonicContact OE1-NH2 3.65Å; E591-R918 PolarHBondContact OE1-NH2 3.03Å; E591-R918 IonicContact OE2-CZ 3.16Å; E591-R918 IonicContact OE2-NH1 3.66Å; E591-R918 IonicContact OE2-NH2 3.57Å; E591-R918 PolarHBondContact OE2-NH2 3.25Å; I742-R918 HydrophobicContact CD1-CB 4.46Å; F889-R918 HydrophobicContact CD1-CB 4.31Å; F889-R918 HydrophobicContact CE1-CB 4.21Å; S892-R918 WeakPolarHBondContact O-CD 3.44Å; S892-R918 PolarHBondContact O-NH1 3.41Å; E893-R918 CarbonylContact C-O 3.57Å; E893-R918 WeakPolarHBondContact CA-O 3.39Å; E894-R918 PolarHBondContact N-O 2.97Å; T914-R918 WeakPolarHBondContact O-CG 3.37Å; A915-R918 PolarHBondContact O-N 3.49Å; A915-R918 VanDerWaalsContact O-N 3.13Å; V916-R918 PolarHBondContact O-N 2.98Å; V916-R918 VanDerWaalsContact O-N 3.09Å
919	G	89.8	Confident	92.3	Very high	3 Å²	3	12.8 Å²	12.8	3%	0.031	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	139.1	166.6	0	0	0	0	0	111.2	E894 V916	E894-G919 CarbonylContact O-C 3.53Å; E894-G919 WeakPolarHBondContact O-CA 3.35Å; V916-G919 PolarHBondContact O-N 3.33Å
920	R	87.2	Confident	92.1	Very high	92 Å²	92	13.5 Å²	13.5	35%	0.347	7%	0.066	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	-39.6	-179.7	-70.2	178.7	53	-171.9	-9.1	113.4	S658 E893 E894	S658-R920 WeakPolarHBondContact CB-O 3.5Å; E893-R920 HydrophobicContact CB-CG 4.3Å; E894-R920 PolarHBondContact O-N 2.93Å
921	C	87.5	Confident	92	Very high	28 Å²	28	14.8 Å²	14.8	19%	0.189	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	-44.2	-170	-43.4	0	0	0	0	111.4	E657 Q895	E657-C921 PolarHBondContact OE2-SG 2.88Å; Q895-C921 VanDerWaalsContact CD-SG 3.59Å; Q895-C921 PolarHBondContact NE2-SG 3.28Å; Q895-C921 VanDerWaalsContact NE2-SG 3.43Å; Q895-C921 PolarHBondContact O-N 3.3Å
922	R	89.1	Confident	91.9	Very high	31 Å²	31	14.4 Å²	14.4	12%	0.117	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	135.3	-175.2	-177.2	159	-76.3	148.5	8.8	111.6	Q693 K695 T696 I698 D732 Q895 T896 V897 Y924	Q693-R922 PolarHBondContact O-NH1 3.46Å; Q693-R922 PolarHBondContact O-NH2 2.98Å; K695-R922 PolarHBondContact O-NE 2.97Å; K695-R922 PolarHBondContact O-NH2 3.2Å; T696-R922 WeakPolarHBondContact O-CA 3.36Å; I698-R922 HydrophobicContact CD1-CG 4.43Å; D732-R922 IonicContact OD1-NH1 2.7Å; D732-R922 PolarHBondContact OD1-NH1 3.04Å; D732-R922 WeakPolarHBondContact OD2-CD 3.35Å; D732-R922 IonicContact OD2-CZ 2.67Å; D732-R922 IonicContact OD2-NE 3.14Å; D732-R922 IonicContact OD2-NH1 2.71Å; D732-R922 PolarHBondContact OD2-NH1 3.46Å; Q895-R922 PolarHBondContact O-N 3.04Å; Q895-R922 VanDerWaalsContact O-N 3.1Å; T896-R922 WeakPolarHBondContact CA-O 3.37Å; T896-R922 HydrophobicContact CG2-CB 4.34Å; T896-R922 HydrophobicContact CG2-CG 4.29Å; V897-R922 PolarHBondContact N-O 2.96Å; R922-Y924 HydrophobicContact CG-CD2 4.21Å; R922-Y924 HydrophobicContact CG-CE2 3.69Å
923	V	92.4	Very high	91.9	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	123.5	175.5	179.4	0	0	0	0	110.6	I661 T696 F697 I698 V897 V916 V925	I661-V923 HydrophobicContact CD1-CG2 3.96Å; I661-V923 HydrophobicContact CG1-CG2 4.13Å; I661-V923 HydrophobicContact CG2-CG2 4.25Å; T696-V923 PolarHBondContact O-N 3.43Å; F697-V923 WeakPolarHBondContact CA-O 3.34Å; F697-V923 HydrophobicContact CD2-CB 3.78Å; F697-V923 HydrophobicContact CD2-CG1 4.17Å; F697-V923 HydrophobicContact CE2-CB 3.8Å; F697-V923 HydrophobicContact CE2-CG1 3.69Å; F697-V923 HydrophobicContact CE2-CG2 4.46Å; F697-V923 HydrophobicContact CZ-CG1 4.41Å; I698-V923 PolarHBondContact N-O 2.98Å; V897-V923 CarbonylContact O-C 3.39Å; V897-V923 VanDerWaalsContact O-CA 3.32Å; V897-V923 WeakPolarHBondContact O-CA 3.41Å; V916-V923 HydrophobicContact CG2-CG1 4.44Å; V923-V925 HydrophobicContact CG1-CG2 4.23Å
924	Y	93.4	Very high	91.8	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	139	166.9	-62	-102.2	0	0	0	109.4	I698 V700 L727 D732 T896 V897 V898 Y899 R922	I698-Y924 HydrophobicContact CB-CD1 3.85Å; I698-Y924 HydrophobicContact CB-CE1 4.21Å; I698-Y924 HydrophobicContact CB-CG 4.43Å; I698-Y924 HydrophobicContact CD1-CD1 3.92Å; I698-Y924 HydrophobicContact CD1-CE1 3.44Å; I698-Y924 VanDerWaalsContact CD1-CE1 3.44Å; I698-Y924 HydrophobicContact CD1-CE2 4.32Å; I698-Y924 HydrophobicContact CG1-CE1 4.43Å; I698-Y924 HydrophobicContact CG2-CD1 3.81Å; I698-Y924 HydrophobicContact CG2-CE1 4.09Å; I698-Y924 CarbonylContact O-C 3.44Å; I698-Y924 WeakPolarHBondContact O-CA 3.29Å; V700-Y924 HydrophobicContact CG2-CD1 4.16Å; L727-Y924 HydrophobicContact CD2-CD1 4.31Å; L727-Y924 HydrophobicContact CD2-CE1 4.33Å; D732-Y924 PolarHBondContact OD2-OH 3.35Å; T896-Y924 HydrophobicContact CG2-CD2 4.11Å; T896-Y924 HydrophobicContact CG2-CE2 3.85Å; V897-Y924 PolarHBondContact O-N 3.12Å; V898-Y924 HydrophobicContact CG2-CD2 3.96Å; V898-Y924 HydrophobicContact CG2-CG 4.34Å; Y899-Y924 PolarHBondContact N-O 2.88Å; R922-Y924 HydrophobicContact CG-CD2 4.21Å; R922-Y924 HydrophobicContact CG-CE2 3.69Å
925	V	95	Very high	91.8	Very high	2 Å²	2	24.6 Å²	24.6	1%	0.012	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	107.8	172.2	-176.9	0	0	0	0	108.9	F676 F697 I698 F699 V700 Y899 V901 V923 L932	F676-V925 HydrophobicContact CE1-CB 4.18Å; F676-V925 HydrophobicContact CE1-CG2 4.21Å; F697-V925 HydrophobicContact CE1-CG2 4.22Å; F697-V925 HydrophobicContact CZ-CG2 3.91Å; I698-V925 PolarHBondContact O-N 3.09Å; F699-V925 HydrophobicContact CD2-CB 4.46Å; F699-V925 VanDerWaalsContact CD2-O 3.32Å; F699-V925 WeakPolarHBondContact CD2-O 3.46Å; V700-V925 PolarHBondContact N-O 2.84Å; Y899-V925 CarbonylContact O-C 3.58Å; Y899-V925 WeakPolarHBondContact O-CA 3.39Å; V901-V925 HydrophobicContact CG2-CG1 4.29Å; V923-V925 HydrophobicContact CG1-CG2 4.23Å; V925-L932 HydrophobicContact CG1-CD1 4.06Å; V925-L932 HydrophobicContact CG1-CD2 3.99Å
926	I	94.1	Very high	91.8	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	114.6	175.6	-48.4	-178.1	0	0	0	108.5	V700 L702 L720 T723 V724 L727 V898 Y899 V900 V901	V700-I926 HydrophobicContact CB-CB 4.47Å; V700-I926 HydrophobicContact CB-CG1 4.11Å; V700-I926 HydrophobicContact CG2-CG1 4.37Å; V700-I926 WeakPolarHBondContact O-CA 3.26Å; L702-I926 HydrophobicContact CD1-CG2 4.08Å; L702-I926 HydrophobicContact CD2-CG2 3.89Å; L702-I926 HydrophobicContact CG-CG2 3.89Å; L720-I926 HydrophobicContact CD1-CG2 4.15Å; T723-I926 HydrophobicContact CG2-CD1 4.25Å; T723-I926 HydrophobicContact CG2-CG2 3.8Å; V724-I926 HydrophobicContact CG2-CD1 4.26Å; L727-I926 HydrophobicContact CD1-CD1 3.39Å; L727-I926 HydrophobicContact CD1-CG1 3.97Å; V898-I926 HydrophobicContact CG1-CD1 3.54Å; V898-I926 HydrophobicContact CG1-CG1 3.88Å; Y899-I926 PolarHBondContact O-N 2.69Å; V900-I926 HydrophobicContact CG2-CB 4.26Å; V900-I926 HydrophobicContact CG2-CD1 4.09Å; V900-I926 HydrophobicContact CG2-CG1 4.47Å; V901-I926 PolarHBondContact N-O 3.02Å
927	A	92.9	Very high	91.9	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	156.3	179	0	0	0	0	0	113.6	F699 V700 L702 V901 L932	F699-A927 HydrophobicContact CE2-CB 3.99Å; V700-A927 PolarHBondContact O-N 3.11Å; L702-A927 PolarHBondContact N-O 3.07Å; V901-A927 HydrophobicContact CB-CB 3.69Å; V901-A927 HydrophobicContact CG1-CB 4.36Å; V901-A927 HydrophobicContact CG2-CB 4.16Å; A927-L932 HydrophobicContact CB-CB 3.86Å
928	E	91.2	Very high	92	Very high	4 Å²	4	34.1 Å²	34.1	2%	0.019	16%	0.161	C	C	.	.			trans	-65.9	133.1	146.4	-70.8	164.6	-137.5	0	0	107.6	L702 H716 K903 S930 Q931 L932	L702-E928 HydrophobicContact CB-CG 3.99Å; H716-E928 IonicContact CE1-OE1 2.95Å; H716-E928 PolarHBondContact CE1-OE1 2.79Å; H716-E928 IonicContact CG-OE1 2.68Å; H716-E928 IonicContact ND1-OE1 3.39Å; H716-E928 PolarHBondContact ND1-OE1 3.39Å; K903-E928 WeakPolarHBondContact CE-OE1 3.44Å; K903-E928 WeakPolarHBondContact CE-OE2 3.35Å; K903-E928 IonicContact NZ-OE1 3.31Å; K903-E928 PolarHBondContact NZ-OE1 3.49Å; K903-E928 IonicContact NZ-OE2 3.57Å; K903-E928 PolarHBondContact NZ-OE2 2.76Å; E928-S930 VanDerWaalsContact C-N 3.3Å; E928-S930 PolarHBondContact O-N 2.8Å; E928-Q931 HydrophobicContact CB-CB 4.13Å; E928-Q931 HydrophobicContact CB-CG 3.65Å; E928-Q931 HydrophobicContact CG-CG 4.46Å; E928-Q931 PolarHBondContact O-N 3.06Å; E928-Q931 VanDerWaalsContact O-N 3.14Å; E928-Q931 WeakPolarHBondContact OE2-CG 3.36Å; E928-L932 PolarHBondContact O-N 2.92Å
929	E	91.5	Very high	91.9	Very high	35 Å²	35	38.1 Å²	38.1	16%	0.164	18%	0.183	C	C	.	.	H	α-helix	trans	-66.3	-37.2	-174	-161.2	-160.2	149.8	0	0	110.8	F673 F699 R701 E704 Q931 L932 R933	F673-E929 HydrophobicContact CZ-CG 3.92Å; F699-E929 HydrophobicContact CE1-CB 4.23Å; F699-E929 HydrophobicContact CE1-CG 4.14Å; F699-E929 HydrophobicContact CZ-CB 4Å; F699-E929 HydrophobicContact CZ-CG 4.12Å; R701-E929 IonicContact CZ-OE2 2.57Å; R701-E929 IonicContact NH1-OE2 2.63Å; R701-E929 PolarHBondContact NH1-OE2 3.37Å; R701-E929 IonicContact NH2-OE2 3.8Å; R701-E929 PolarHBondContact NH2-OE2 2.96Å; E704-E929 WeakPolarHBondContact OE1-CA 3.34Å; E704-E929 WeakPolarHBondContact OE1-CB 3.5Å; E704-E929 PolarHBondContact OE1-N 3.13Å; E929-Q931 VanDerWaalsContact C-N 3.3Å; E929-Q931 PolarHBondContact O-N 2.87Å; E929-L932 PolarHBondContact O-N 3.37Å; E929-R933 WeakPolarHBondContact O-CB 3.46Å; E929-R933 WeakPolarHBondContact O-CG 3.21Å; E929-R933 PolarHBondContact O-N 3.22Å; E929-R933 IonicContact OE1-CZ 2.74Å; E929-R933 IonicContact OE1-NE 3.79Å; E929-R933 PolarHBondContact OE1-NE 3.42Å; E929-R933 IonicContact OE1-NH2 2.66Å; E929-R933 PolarHBondContact OE1-NH2 3.07Å
930	S	90.9	Very high	91.7	Very high	40 Å²	40	39.4 Å²	39.4	28%	0.28	19%	0.191	S	C	.	.	H	α-helix	trans	-55.5	-44.3	172.6	68.6	0	0	0	0	112	E704 E928 R933 N934	E704-S930 PolarHBondContact OE1-N 3.09Å; E704-S930 WeakPolarHBondContact OE2-CB 3.46Å; E704-S930 PolarHBondContact OE2-OG 3.3Å; E928-S930 VanDerWaalsContact C-N 3.3Å; E928-S930 PolarHBondContact O-N 2.8Å; S930-R933 PolarHBondContact O-N 2.92Å; S930-N934 VanDerWaalsContact O-CB 3.32Å; S930-N934 WeakPolarHBondContact O-CB 3.29Å; S930-N934 PolarHBondContact O-N 3.36Å; S930-N934 PolarHBondContact O-ND2 3.36Å; S930-N934 VanDerWaalsContact O-ND2 3.08Å
931	Q	91.4	Very high	91.6	Very high	50 Å²	50	40.1 Å²	40.1	23%	0.234	20%	0.197	C	C	.	.	H	α-helix	trans	-71.6	-38.6	-178.7	-54.8	-57	-36	0	0	111.6	V901 K903 E928 E929 N934 A935	V901-Q931 HydrophobicContact CG1-CB 4.29Å; K903-Q931 HydrophobicContact CG-CG 4.06Å; E928-Q931 HydrophobicContact CB-CB 4.13Å; E928-Q931 HydrophobicContact CB-CG 3.65Å; E928-Q931 HydrophobicContact CG-CG 4.46Å; E928-Q931 PolarHBondContact O-N 3.06Å; E928-Q931 VanDerWaalsContact O-N 3.14Å; E928-Q931 WeakPolarHBondContact OE2-CG 3.36Å; E929-Q931 VanDerWaalsContact C-N 3.3Å; E929-Q931 PolarHBondContact O-N 2.87Å; Q931-N934 PolarHBondContact O-N 3.2Å; Q931-A935 VanDerWaalsContact O-CB 3.3Å; Q931-A935 WeakPolarHBondContact O-CB 3.49Å; Q931-A935 PolarHBondContact O-N 2.96Å
932	L	93.9	Very high	91.6	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.005	22%	0.223	C	C	.	.	H	α-helix	trans	-64.2	-45	173.7	178.7	62	0	0	0	111.8	F673 F676 F699 V901 V912 V925 A927 E928 E929 A935 I936	F673-L932 HydrophobicContact CE2-CB 4.47Å; F673-L932 HydrophobicContact CE2-CD2 3.82Å; F673-L932 HydrophobicContact CE2-CG 3.88Å; F673-L932 HydrophobicContact CZ-CD2 3.92Å; F673-L932 HydrophobicContact CZ-CG 4.46Å; F676-L932 HydrophobicContact CZ-CD2 3.94Å; F699-L932 HydrophobicContact CD2-CD2 4.27Å; F699-L932 HydrophobicContact CE2-CD2 3.84Å; V901-L932 HydrophobicContact CG2-CD1 4.13Å; V912-L932 HydrophobicContact CG1-CD1 3.95Å; V925-L932 HydrophobicContact CG1-CD1 4.06Å; V925-L932 HydrophobicContact CG1-CD2 3.99Å; A927-L932 HydrophobicContact CB-CB 3.86Å; E928-L932 PolarHBondContact O-N 2.92Å; E929-L932 PolarHBondContact O-N 3.37Å; L932-A935 PolarHBondContact O-N 2.93Å; L932-I936 HydrophobicContact CD1-CD1 3.75Å; L932-I936 HydrophobicContact CD1-CG1 4.24Å; L932-I936 HydrophobicContact CG-CD1 3.86Å; L932-I936 WeakPolarHBondContact O-CG1 3.47Å; L932-I936 PolarHBondContact O-N 3.25Å
933	R	94.2	Very high	91.8	Very high	114 Å²	114	45.1 Å²	45.1	43%	0.43	23%	0.227	S	C	.	.	H	α-helix	trans	-60	-48.4	174.6	-73.8	-178.3	-178.8	-82.4	-5.2	111.2	F673 E929 S930 A935 I936 M937	F673-R933 HydrophobicContact CD2-CG 3.68Å; F673-R933 HydrophobicContact CE2-CB 4.49Å; F673-R933 HydrophobicContact CE2-CG 3.4Å; F673-R933 VanDerWaalsContact CE2-CG 3.4Å; F673-R933 HydrophobicContact CZ-CG 4.23Å; E929-R933 WeakPolarHBondContact O-CB 3.46Å; E929-R933 WeakPolarHBondContact O-CG 3.21Å; E929-R933 PolarHBondContact O-N 3.22Å; E929-R933 IonicContact OE1-CZ 2.74Å; E929-R933 IonicContact OE1-NE 3.79Å; E929-R933 PolarHBondContact OE1-NE 3.42Å; E929-R933 IonicContact OE1-NH2 2.66Å; E929-R933 PolarHBondContact OE1-NH2 3.07Å; S930-R933 PolarHBondContact O-N 2.92Å; R933-A935 VanDerWaalsContact C-N 3.33Å; R933-A935 PolarHBondContact O-N 3.36Å; R933-I936 PolarHBondContact O-N 2.92Å; R933-M937 WeakPolarHBondContact O-CB 3.49Å; R933-M937 VanDerWaalsContact O-CG 3.3Å; R933-M937 WeakPolarHBondContact O-CG 3.35Å; R933-M937 PolarHBondContact O-N 3.3Å
934	N	92.8	Very high	91.8	Very high	97 Å²	97	47.6 Å²	47.6	52%	0.519	24%	0.238	S	C	.	.	H	α-helix	trans	-58.5	-43.5	176.3	-74.7	-30.1	0	0	0	112	S930 Q931 I936 K938	S930-N934 VanDerWaalsContact O-CB 3.32Å; S930-N934 WeakPolarHBondContact O-CB 3.29Å; S930-N934 PolarHBondContact O-N 3.36Å; S930-N934 PolarHBondContact O-ND2 3.36Å; S930-N934 VanDerWaalsContact O-ND2 3.08Å; Q931-N934 PolarHBondContact O-N 3.2Å; N934-I936 PolarHBondContact O-N 3.37Å; N934-K938 WeakPolarHBondContact O-CB 3.32Å; N934-K938 PolarHBondContact O-N 2.9Å
935	A	93.6	Very high	91.9	Very high	5 Å²	5	48.6 Å²	48.6	4%	0.041	24%	0.244	C	C	.	.	H	α-helix	trans	-64.7	-38.1	177.4	0	0	0	0	0	112.8	V901 Q907 H908 W909 V912 Q931 L932 R933	V901-A935 HydrophobicContact CG1-CB 4.43Å; Q907-A935 HydrophobicContact CG-CB 4.32Å; H908-A935 CarbonylContact C-O 3.55Å; H908-A935 WeakPolarHBondContact CA-O 3.36Å; W909-A935 WeakPolarHBondContact CA-O 3.44Å; W909-A935 PolarHBondContact N-O 2.61Å; V912-A935 HydrophobicContact CG2-CB 3.84Å; Q931-A935 VanDerWaalsContact O-CB 3.3Å; Q931-A935 WeakPolarHBondContact O-CB 3.49Å; Q931-A935 PolarHBondContact O-N 2.96Å; L932-A935 PolarHBondContact O-N 2.93Å; R933-A935 VanDerWaalsContact C-N 3.33Å; R933-A935 PolarHBondContact O-N 3.36Å
936	I	95.1	Very high	91.8	Very high	2 Å²	2	51.2 Å²	51.2	1%	0.01	25%	0.254	C	S	.	.	H	α-helix	trans	-75	-40.4	178.9	-67.3	163.9	0	0	0	111.9	I668 F673 P674 W909 V912 L932 R933 N934	I668-I936 HydrophobicContact CG1-CD1 4.4Å; I668-I936 HydrophobicContact CG1-CG1 4.48Å; I668-I936 HydrophobicContact CG2-CG1 4.46Å; F673-I936 HydrophobicContact CD2-CD1 3.85Å; F673-I936 HydrophobicContact CE2-CD1 4.26Å; P674-I936 VanDerWaalsContact CD-CD1 3.49Å; P674-I936 HydrophobicContact CG-CD1 4.4Å; W909-I936 WeakPolarHBondContact CB-O 3.37Å; V912-I936 HydrophobicContact CB-CG1 4.42Å; V912-I936 HydrophobicContact CG1-CG1 4.24Å; V912-I936 HydrophobicContact CG2-CG1 4.25Å; L932-I936 HydrophobicContact CD1-CD1 3.75Å; L932-I936 HydrophobicContact CD1-CG1 4.24Å; L932-I936 HydrophobicContact CG-CD1 3.86Å; L932-I936 WeakPolarHBondContact O-CG1 3.47Å; L932-I936 PolarHBondContact O-N 3.25Å; R933-I936 PolarHBondContact O-N 2.92Å; N934-I936 PolarHBondContact O-N 3.37Å
937	M	93.3	Very high	91.9	Very high	122 Å²	122	51.2 Å²	51.2	60%	0.601	25%	0.254	S	S	*	.	H	α-helix	trans	-73.4	-29.1	-179.5	-66	-59.3	-69.4	0	0	112.5	R933 N939	R933-M937 WeakPolarHBondContact O-CB 3.49Å; R933-M937 VanDerWaalsContact O-CG 3.3Å; R933-M937 WeakPolarHBondContact O-CG 3.35Å; R933-M937 PolarHBondContact O-N 3.3Å; M937-N939 PolarHBondContact O-N 3.01Å
938	K	92.2	Very high	91.9	Very high	85 Å²	85	54.4 Å²	54.4	37%	0.37	27%	0.267	S	S	.	.	S	Bend	trans	-67.9	126.2	-177.8	-174.8	161.2	-173.2	166.8	0	112.1	G905 H908 W909 N934	G905-K938 PolarHBondContact O-NZ 2.7Å; H908-K938 HydrophobicContact CB-CB 4.15Å; H908-K938 HydrophobicContact CB-CG 4Å; H908-K938 WeakPolarHBondContact CB-O 3.34Å; W909-K938 PolarHBondContact N-O 3.38Å; N934-K938 WeakPolarHBondContact O-CB 3.32Å; N934-K938 PolarHBondContact O-N 2.9Å
939	N	89	Confident	92	Very high	90 Å²	90	57.2 Å²	57.2	48%	0.481	28%	0.278	S	S	.	.	P	Polyproline II helix	trans	-59	145.3	173.1	-66.9	-20.2	0	0	0	111.6	R671 M937	R671-N939 PolarHBondContact NE-OD1 2.87Å; R671-N939 PolarHBondContact NH1-OD1 3.06Å; R671-N939 PolarHBondContact NH2-OD1 3.38Å; M937-N939 PolarHBondContact O-N 3.01Å
940	S	85.9	Confident	92.1	Very high	29 Å²	29	56.2 Å²	56.2	20%	0.203	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-71	146	161.3	42.3	0	0	0	0	110.4	H908 W909 Q910	H908-S940 VanDerWaalsContact CD2-CA 3.48Å; H908-S940 WeakPolarHBondContact CD2-CA 3.2Å; H908-S940 VanDerWaalsContact CD2-CB 3.42Å; H908-S940 WeakPolarHBondContact CD2-CB 3.49Å; H908-S940 VanDerWaalsContact NE2-CB 3.35Å; H908-S940 WeakPolarHBondContact NE2-CB 3.44Å; W909-S940 PolarHBondContact NE1-OG 3.4Å; Q910-S940 PolarHBondContact OE1-OG 3.42Å
941	F	84.1	Confident	92.2	Very high	107 Å²	107	54.3 Å²	54.3	47%	0.469	26%	0.26	S	S	.	.	P	Polyproline II helix	trans	-70.5	123	177.9	-62.6	-84.5	0	0	0	109.8	R943	F941-R943 PolarHBondContact O-N 3.14Å
942	P	88	Confident	92.3	Very high	113 Å²	113	56.3 Å²	56.3	73%	0.734	27%	0.269	S	S	*	.	P	Polyproline II helix	trans	-67.5	128.4	176	28.2	-33.3	0	0	0	109.5	H310	H310-P942 PolarHBondContact CE1-O 2.75Å; H310-P942 VanDerWaalsContact CE1-O 3.28Å
943	R	92.9	Very high	92.1	Very high	51 Å²	51	58.8 Å²	58.8	19%	0.192	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-78.4	126.7	175.6	-66.1	-172.7	166.1	-165.7	-3.8	109.6	G309 S627 E629 G631 N632 F941 T945	G309-R943 WeakPolarHBondContact O-CD 3.49Å; S627-R943 VanDerWaalsContact O-CZ 3.22Å; S627-R943 PolarHBondContact O-NH1 3.18Å; S627-R943 PolarHBondContact O-NH2 3.13Å; S627-R943 PolarHBondContact OG-NH1 3.21Å; E629-R943 PolarHBondContact O-NH1 2.97Å; G631-R943 WeakPolarHBondContact O-CD 3.47Å; G631-R943 PolarHBondContact O-NH1 2.85Å; N632-R943 HydrophobicContact CB-CB 4.37Å; F941-R943 PolarHBondContact O-N 3.14Å; R943-T945 HydrophobicContact CB-CG2 4.21Å; R943-T945 PolarHBondContact O-N 3.46Å
944	K	93.6	Very high	91.9	Very high	52 Å²	52	58 Å²	58	23%	0.226	29%	0.286	C	S	.	.			trans	-73.4	104.6	170.9	-67.4	-168.7	-176.3	-163.2	0	108.9	H310 T311 Y312 E314 D317	H310-K944 WeakPolarHBondContact CA-O 3.48Å; H310-K944 HydrophobicContact CB-CB 4.12Å; H310-K944 PolarHBondContact ND1-N 2.93Å; T311-K944 PolarHBondContact N-O 3.19Å; T311-K944 PolarHBondContact OG1-O 3.38Å; Y312-K944 HydrophobicContact CD1-CB 4.04Å; Y312-K944 HydrophobicContact CD2-CB 4.27Å; Y312-K944 HydrophobicContact CD2-CD 4.48Å; Y312-K944 VanDerWaalsContact CE1-C 3.48Å; Y312-K944 HydrophobicContact CE1-CB 3.73Å; Y312-K944 HydrophobicContact CE2-CB 3.95Å; Y312-K944 HydrophobicContact CE2-CD 3.93Å; Y312-K944 HydrophobicContact CE2-CG 4.34Å; Y312-K944 HydrophobicContact CG-CB 4.31Å; E314-K944 IonicContact OE1-NZ 3.27Å; E314-K944 PolarHBondContact OE1-NZ 3.37Å; D317-K944 IonicContact OD2-NZ 3.41Å; D317-K944 PolarHBondContact OD2-NZ 2.87Å
945	T	94.3	Very high	91.6	Very high	22 Å²	22	53.8 Å²	53.8	14%	0.135	26%	0.264	C	S	.	.			trans	-131.8	157.2	179	59.2	0	0	0	0	112.6	T311 Y312 E360 N632 D636 R943	T311-T945 HydrophobicContact CG2-CG2 4.41Å; T311-T945 WeakPolarHBondContact OG1-CA 3.38Å; Y312-T945 WeakPolarHBondContact CE1-O 3.4Å; E360-T945 VanDerWaalsContact OE1-CB 3.31Å; E360-T945 WeakPolarHBondContact OE1-CB 3.29Å; N632-T945 HydrophobicContact CB-CG2 3.84Å; D636-T945 VanDerWaalsContact OD2-CB 3.31Å; D636-T945 WeakPolarHBondContact OD2-CB 3.22Å; D636-T945 PolarHBondContact OD2-OG1 2.99Å; R943-T945 HydrophobicContact CB-CG2 4.21Å; R943-T945 PolarHBondContact O-N 3.46Å
946	R	93.9	Very high	91.1	Very high	57 Å²	57	57.4 Å²	57.4	22%	0.215	29%	0.289	C	S	.	.			trans	-119.8	-1.8	174.3	-68.9	-60.7	-171.5	159.7	-0	114.1	Y312 C350 F352 E360 K948 Y949 F950	Y312-R946 HydrophobicContact CD1-CG 3.88Å; Y312-R946 HydrophobicContact CE1-CG 3.86Å; C350-R946 PolarHBondContact SG-NH2 3.49Å; F352-R946 HydrophobicContact CE1-CB 4.11Å; F352-R946 HydrophobicContact CE1-CG 3.6Å; F352-R946 HydrophobicContact CZ-CG 3.67Å; E360-R946 PolarHBondContact OE1-N 3.4Å; E360-R946 VanDerWaalsContact OE2-C 3.28Å; E360-R946 VanDerWaalsContact OE2-CA 3.24Å; E360-R946 WeakPolarHBondContact OE2-CA 3.42Å; E360-R946 WeakPolarHBondContact OE2-CB 3.3Å; E360-R946 PolarHBondContact OE2-N 3.03Å; R946-K948 VanDerWaalsContact C-N 3.28Å; R946-K948 PolarHBondContact O-N 3.49Å; R946-Y949 HydrophobicContact CB-CD1 4.38Å; R946-Y949 CarbonylContact O-C 3.53Å; R946-Y949 WeakPolarHBondContact O-CA 3.25Å; R946-Y949 WeakPolarHBondContact O-CB 3.45Å; R946-Y949 PolarHBondContact O-N 2.94Å; R946-F950 HydrophobicContact CB-CD2 4.01Å; R946-F950 HydrophobicContact CB-CE2 3.45Å; R946-F950 VanDerWaalsContact CB-CE2 3.45Å; R946-F950 HydrophobicContact CB-CZ 3.76Å; R946-F950 WeakPolarHBondContact O-CD2 3.33Å; R946-F950 PolarHBondContact O-N 2.87Å
947	L	94.8	Very high	89.5	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-48.1	-48.2	176	175.6	58.3	0	0	0	112.4	E360 I363 A364 L633 D636 Y949 F950 L951	E360-L947 HydrophobicContact CB-CB 4.13Å; E360-L947 VanDerWaalsContact CD-N 3.3Å; E360-L947 HydrophobicContact CG-CB 4.01Å; E360-L947 WeakPolarHBondContact O-CD1 3.48Å; E360-L947 PolarHBondContact OE2-N 3.46Å; I363-L947 HydrophobicContact CB-CD1 4.09Å; I363-L947 HydrophobicContact CG2-CD1 3.81Å; I363-L947 HydrophobicContact CG2-CD2 4.48Å; A364-L947 HydrophobicContact CB-CD1 4.29Å; L633-L947 HydrophobicContact CD1-CD2 3.79Å; D636-L947 HydrophobicContact CB-CB 4.29Å; D636-L947 HydrophobicContact CB-CD2 4.07Å; D636-L947 HydrophobicContact CB-CG 4.21Å; L947-Y949 VanDerWaalsContact C-N 3.31Å; L947-Y949 PolarHBondContact O-N 3.09Å; L947-F950 PolarHBondContact O-N 3.16Å; L947-L951 HydrophobicContact CD1-CD1 3.85Å; L947-L951 HydrophobicContact CD1-CG 4.05Å; L947-L951 HydrophobicContact CG-CD1 3.83Å; L947-L951 WeakPolarHBondContact O-CB 3.39Å; L947-L951 WeakPolarHBondContact O-CD1 3.34Å; L947-L951 VanDerWaalsContact O-CG 3.31Å; L947-L951 WeakPolarHBondContact O-CG 3.22Å; L947-L951 PolarHBondContact O-N 3.16Å
948	K	93.8	Very high	87.6	Confident	66 Å²	66	58.6 Å²	58.6	29%	0.287	31%	0.31	S	S	.	.	H	α-helix	trans	-53.5	-43.1	174	179.7	169.1	-174.9	-179.5	0	113.2	D636 E639 R946 Q952	D636-K948 HydrophobicContact CB-CB 4.27Å; E639-K948 IonicContact OE2-NZ 3.87Å; E639-K948 PolarHBondContact OE2-NZ 3.01Å; R946-K948 VanDerWaalsContact C-N 3.28Å; R946-K948 PolarHBondContact O-N 3.49Å; K948-Q952 WeakPolarHBondContact O-CB 3.41Å; K948-Q952 WeakPolarHBondContact O-CG 3.48Å; K948-Q952 PolarHBondContact O-N 3.45Å
949	Y	93.2	Very high	85	Confident	64 Å²	64	57.1 Å²	57.1	25%	0.251	32%	0.319	S	S	.	.	H	α-helix	trans	-73	-38	178.9	159.3	-97.8	0	0	0	112.8	E347 K348 R946 L947 S953	E347-Y949 VanDerWaalsContact OE1-CE1 3.24Å; E347-Y949 WeakPolarHBondContact OE1-CE1 3.43Å; E347-Y949 PolarHBondContact OE1-OH 2.96Å; K348-Y949 PolarHBondContact NZ-OH 3.1Å; R946-Y949 HydrophobicContact CB-CD1 4.38Å; R946-Y949 CarbonylContact O-C 3.53Å; R946-Y949 WeakPolarHBondContact O-CA 3.25Å; R946-Y949 WeakPolarHBondContact O-CB 3.45Å; R946-Y949 PolarHBondContact O-N 2.94Å; L947-Y949 VanDerWaalsContact C-N 3.31Å; L947-Y949 PolarHBondContact O-N 3.09Å; Y949-S953 WeakPolarHBondContact O-CB 3.43Å; Y949-S953 PolarHBondContact O-N 2.9Å; Y949-S953 PolarHBondContact O-OG 3.46Å
950	F	94	Very high	82	Confident	14 Å²	14	56.8 Å²	56.8	6%	0.061	33%	0.329	C	S	.	.	H	α-helix	trans	-67.3	-41.1	174.9	-61.4	-49.3	0	0	0	111.8	Y357 E360 R361 A364 R946 L947 S953 K954	Y357-F950 HydrophobicContact CD2-CE2 4.48Å; Y357-F950 AromaticContact CD2-CZ 3.93Å; Y357-F950 HydrophobicContact CD2-CZ 3.93Å; Y357-F950 HydrophobicContact CE2-CE1 4.22Å; Y357-F950 AromaticContact CE2-CZ 3.6Å; Y357-F950 HydrophobicContact CE2-CZ 3.6Å; E360-F950 HydrophobicContact CB-CD2 3.79Å; E360-F950 HydrophobicContact CB-CE2 3.89Å; R361-F950 HydrophobicContact CG-CD1 3.93Å; R361-F950 HydrophobicContact CG-CD2 3.77Å; R361-F950 HydrophobicContact CG-CE1 3.87Å; R361-F950 HydrophobicContact CG-CE2 3.7Å; R361-F950 HydrophobicContact CG-CG 3.9Å; R361-F950 HydrophobicContact CG-CZ 3.76Å; A364-F950 HydrophobicContact CB-CB 3.55Å; R946-F950 HydrophobicContact CB-CD2 4.01Å; R946-F950 HydrophobicContact CB-CE2 3.45Å; R946-F950 VanDerWaalsContact CB-CE2 3.45Å; R946-F950 HydrophobicContact CB-CZ 3.76Å; R946-F950 WeakPolarHBondContact O-CD2 3.33Å; R946-F950 PolarHBondContact O-N 2.87Å; L947-F950 PolarHBondContact O-N 3.16Å; F950-S953 WeakPolarHBondContact CA-OG 3.46Å; F950-S953 PolarHBondContact O-OG 3.1Å; F950-S953 VanDerWaalsContact O-OG 3.1Å; F950-K954 WeakPolarHBondContact O-CB 3.43Å; F950-K954 PolarHBondContact O-N 3.42Å; F950-K954 VanDerWaalsContact O-N 3.08Å
951	L	93.4	Very high	79.3	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-59.3	-56.8	171.1	-70.8	160.1	0	0	0	110.4	A364 I367 L637 T640 L947 S953 K954 L955	A364-L951 HydrophobicContact CB-CD2 4.09Å; A364-L951 HydrophobicContact CB-CG 4.02Å; I367-L951 HydrophobicContact CB-CD2 4.29Å; I367-L951 HydrophobicContact CG2-CD2 4.06Å; L637-L951 HydrophobicContact CD2-CD1 3.66Å; L637-L951 HydrophobicContact CD2-CD2 4.29Å; T640-L951 HydrophobicContact CG2-CB 3.9Å; L947-L951 HydrophobicContact CD1-CD1 3.85Å; L947-L951 HydrophobicContact CD1-CG 4.05Å; L947-L951 HydrophobicContact CG-CD1 3.83Å; L947-L951 WeakPolarHBondContact O-CB 3.39Å; L947-L951 WeakPolarHBondContact O-CD1 3.34Å; L947-L951 VanDerWaalsContact O-CG 3.31Å; L947-L951 WeakPolarHBondContact O-CG 3.22Å; L947-L951 PolarHBondContact O-N 3.16Å; L951-S953 VanDerWaalsContact C-N 3.35Å; L951-S953 PolarHBondContact O-N 3.26Å; L951-K954 PolarHBondContact O-N 3.37Å; L951-L955 HydrophobicContact CB-CD1 4.31Å; L951-L955 WeakPolarHBondContact O-CB 3.47Å; L951-L955 WeakPolarHBondContact O-CG 3.35Å; L951-L955 PolarHBondContact O-N 2.79Å
952	Q	92.4	Very high	76.7	Confident	91 Å²	91	61.5 Å²	61.5	43%	0.425	37%	0.369	S	S	.	.	H	α-helix	trans	-57	-43.1	-178.7	-75.8	175.3	-29.3	0	0	113	T640 K948 S956	T640-Q952 HydrophobicContact CG2-CG 3.9Å; K948-Q952 WeakPolarHBondContact O-CB 3.41Å; K948-Q952 WeakPolarHBondContact O-CG 3.48Å; K948-Q952 PolarHBondContact O-N 3.45Å; Q952-S956 VanDerWaalsContact O-CB 3.29Å; Q952-S956 WeakPolarHBondContact O-CB 3.5Å; Q952-S956 PolarHBondContact O-N 2.89Å; Q952-S956 PolarHBondContact O-OG 3.2Å
953	S	90.4	Very high	74.2	Confident	54 Å²	54	60.1 Å²	60.1	38%	0.378	37%	0.368	S	S	.	.	H	α-helix	trans	-67.1	-46	179.5	53	0	0	0	0	112.5	Y949 F950 L951 S956 S957	Y949-S953 WeakPolarHBondContact O-CB 3.43Å; Y949-S953 PolarHBondContact O-N 2.9Å; Y949-S953 PolarHBondContact O-OG 3.46Å; F950-S953 WeakPolarHBondContact CA-OG 3.46Å; F950-S953 PolarHBondContact O-OG 3.1Å; F950-S953 VanDerWaalsContact O-OG 3.1Å; L951-S953 VanDerWaalsContact C-N 3.35Å; L951-S953 PolarHBondContact O-N 3.26Å; S953-S956 PolarHBondContact O-N 3.09Å; S953-S957 WeakPolarHBondContact O-CB 3.34Å; S953-S957 PolarHBondContact O-N 2.99Å; S953-S957 PolarHBondContact O-OG 3.21Å
954	K	89.2	Confident	71.5	Confident	96 Å²	96	64.6 Å²	64.6	42%	0.417	40%	0.395	S	S	.	.	H	α-helix	trans	-62.7	-50.3	174.8	-82.1	-72.7	-171.4	173.7	0	112	C368 F950 L951 S956 S957 S958	C368-K954 HydrophobicContact CB-CB 4.39Å; C368-K954 WeakPolarHBondContact SG-CB 3.43Å; F950-K954 WeakPolarHBondContact O-CB 3.43Å; F950-K954 PolarHBondContact O-N 3.42Å; F950-K954 VanDerWaalsContact O-N 3.08Å; L951-K954 PolarHBondContact O-N 3.37Å; K954-S956 PolarHBondContact O-N 2.88Å; K954-S957 WeakPolarHBondContact CA-OG 3.35Å; K954-S957 PolarHBondContact O-N 3.34Å; K954-S957 VanDerWaalsContact O-N 3.1Å; K954-S957 PolarHBondContact O-OG 3.14Å; K954-S958 PolarHBondContact O-N 3.03Å
955	L	86.2	Confident	68.3	Low	9 Å²	9	72.1 Å²	72.1	5%	0.047	43%	0.428	C	S	.	.	H	α-helix	trans	-62.8	-24.1	-179.5	-71.4	175.6	0	0	0	113.5	C368 M371 T640 L641 R644 L951	C368-L955 VanDerWaalsContact SG-CD2 3.57Å; M371-L955 HydrophobicContact SD-CD2 4.08Å; T640-L955 HydrophobicContact CG2-CD1 4.03Å; L641-L955 HydrophobicContact CD2-CD1 4.49Å; R644-L955 PolarHBondContact NH1-O 3.24Å; R644-L955 PolarHBondContact NH2-O 3.05Å; L951-L955 HydrophobicContact CB-CD1 4.31Å; L951-L955 WeakPolarHBondContact O-CB 3.47Å; L951-L955 WeakPolarHBondContact O-CG 3.35Å; L951-L955 PolarHBondContact O-N 2.79Å
956	S	83.2	Confident	65.1	Low	82 Å²	82	79.9 Å²	79.9	57%	0.573	46%	0.463	S	S	*	.	H	α-helix	trans	-85.4	-38.7	170.5	-65.9	0	0	0	0	112.7	Q952 S953 K954 S958 G959	Q952-S956 VanDerWaalsContact O-CB 3.29Å; Q952-S956 WeakPolarHBondContact O-CB 3.5Å; Q952-S956 PolarHBondContact O-N 2.89Å; Q952-S956 PolarHBondContact O-OG 3.2Å; S953-S956 PolarHBondContact O-N 3.09Å; K954-S956 PolarHBondContact O-N 2.88Å; S956-S958 PolarHBondContact O-N 3.47Å; S956-G959 WeakPolarHBondContact O-CA 3.44Å; S956-G959 PolarHBondContact O-N 3.41Å
957	S	60.9	Low	61.8	Low	90 Å²	90	81.8 Å²	81.8	63%	0.629	49%	0.485	S	S	*	.	H	α-helix	trans	-64.1	-25	175.4	68.5	0	0	0	0	113.6	S953 K954 G959	S953-S957 WeakPolarHBondContact O-CB 3.34Å; S953-S957 PolarHBondContact O-N 2.99Å; S953-S957 PolarHBondContact O-OG 3.21Å; K954-S957 WeakPolarHBondContact CA-OG 3.35Å; K954-S957 PolarHBondContact O-N 3.34Å; K954-S957 VanDerWaalsContact O-N 3.1Å; K954-S957 PolarHBondContact O-OG 3.14Å; S957-G959 PolarHBondContact O-N 3.24Å
958	S	54.7	Low	58.7	Low	58 Å²	58	88 Å²	88	41%	0.406	53%	0.525	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-5.2	170.9	-172.3	0	0	0	0	113.8	Q372 K954 S956	Q372-S958 PolarHBondContact NE2-OG 2.98Å; K954-S958 PolarHBondContact O-N 3.03Å; S956-S958 PolarHBondContact O-N 3.47Å
959	G	38	Very low	55.5	Low	55 Å²	55	93.4 Å²	93.4	57%	0.567	55%	0.552	S	S	*	*			trans	-96.5	27.7	-169.8	0	0	0	0	0	115.1	S956 S957	S956-G959 WeakPolarHBondContact O-CA 3.44Å; S956-G959 PolarHBondContact O-N 3.41Å; S957-G959 PolarHBondContact O-N 3.24Å
960	A	25.2	Very low	52.3	Low	83 Å²	83	100 Å²	100	69%	0.686	58%	0.582	S	S	*	*	P	Polyproline II helix	trans	-65.6	125.1	164.6	0	0	0	0	0	108.3
961	P	28.8	Very low	49	Very low	114 Å²	114	105.2 Å²	105.2	74%	0.74	62%	0.62	S	S	*	*	P	Polyproline II helix	trans	-66	141.1	-179.9	27.4	-33.9	0	0	0	109.7	A963	P961-A963 PolarHBondContact O-N 3.41Å
962	P	30	Very low	45.9	Very low	120 Å²	120	110.9 Å²	110.9	78%	0.779	66%	0.659	S	S	*	*	P	Polyproline II helix	trans	-61.3	126.7	164.9	27.4	-32.2	0	0	0	108.2
963	A	35.8	Very low	42.7	Very low	85 Å²	85	110.1 Å²	110.1	70%	0.702	68%	0.676	S	S	*	*	S	Bend	trans	-64.1	146.6	167.6	0	0	0	0	0	109.5	P961	P961-A963 PolarHBondContact O-N 3.41Å
964	D	36.2	Very low	39.7	Very low	144 Å²	144	115.6 Å²	115.6	77%	0.77	70%	0.701	S	S	*	*			trans	56.2	82.8	170.4	-55.3	-35.7	0	0	0	117.1
965	F	26.3	Very low	36.7	Very low	210 Å²	210	116.5 Å²	116.5	92%	0.921	72%	0.719	S	S	*	*			trans	-125.2	117.7	131.1	-97.2	-82.3	0	0	0	109.8
966	Q	26.4	Very low	33.9	Very low	185 Å²	185	120.2 Å²	120.2	86%	0.864	76%	0.76	S	S	*	*			trans	-67.6	144.1	177.1	-70.2	177.3	-28.6	0	0	110.8
967	S	26.1	Very low	31.1	Very low	97 Å²	97	120 Å²	120	68%	0.678	77%	0.77	S	S	*	*			trans	-77.2	133.8	169.5	54.7	0	0	0	0	110.1	Q969	S967-Q969 PolarHBondContact O-N 3.09Å
968	P	27.6	Very low	30.4	Very low	131 Å²	131	121.9 Å²	121.9	85%	0.851	78%	0.781	S	S	*	*			trans	-74.5	94.3	171.8	29.7	-32.6	0	0	0	109.3
969	Q	27.6	Very low	28.9	Very low	179 Å²	179	124.9 Å²	124.9	84%	0.836	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-66.8	141.7	168.4	-74.6	-167	-45.6	0	0	110.5	S967 S971	S967-Q969 PolarHBondContact O-N 3.09Å; Q969-S971 PolarHBondContact O-N 3.12Å
970	K	26.5	Very low	28.2	Very low	204 Å²	204	128.8 Å²	128.8	89%	0.887	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-65.9	131.5	172.8	-69.2	179	175.3	-179.7	0	109.7
971	S	24.6	Very low	29.3	Very low	123 Å²	123	129.9 Å²	129.9	86%	0.86	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-79.5	131.8	168.4	44.7	0	0	0	0	111	Q969	Q969-S971 PolarHBondContact O-N 3.12Å
972	S	27.3	Very low	29.1	Very low	118 Å²	118	130.3 Å²	130.3	83%	0.825	82%	0.82	S	S	*	*			trans	-157.8	135	167.1	59.7	0	0	0	0	110.2
973	G	26.6	Very low	28.8	Very low	76 Å²	76	129 Å²	129	78%	0.784	82%	0.82	S	S	*	*			trans	99.3	69.4	173.8	0	0	0	0	0	115.3
974	D	27.3	Very low	28.6	Very low	169 Å²	169	130.3 Å²	130.3	90%	0.904	82%	0.824	S	S	*	*				44.8	153.3	119.1	-153.1	11.2	0	0	0	121.9
975	S	25.8	Very low	28.8	Very low	114 Å²	114	129.6 Å²	129.6	80%	0.797	83%	0.827	S	S	*	*			trans	-154.4	124	-177.4	56.2	0	0	0	0	114.3
976	G	27.5	Very low	28.6	Very low	88 Å²	88	127.4 Å²	127.4	91%	0.907	82%	0.824	S	S	*	*			trans	154.1	103.9	165	0	0	0	0	0	115.6
977	G	23.9	Very low	29.5	Very low	76 Å²	76	123.8 Å²	123.8	78%	0.784	82%	0.817	S	S	*	*			trans	173.8	106.4	174.5	0	0	0	0	0	112.7
978	P	45.7	Very low	29.5	Very low	130 Å²	130	125.4 Å²	125.4	84%	0.844	82%	0.822	S	S	*	*			trans	-110.3	148.6	-163.9	38	-32.5	0	0	0	115.8
979	S	23.7	Very low	29.5	Very low	122 Å²	122	125 Å²	125	85%	0.853	82%	0.817	S	S	*	*			trans	-171	165.8	137.9	49.1	0	0	0	0	112.2
980	T	23.7	Very low	29.4	Very low	136 Å²	136	121.9 Å²	121.9	83%	0.834	81%	0.81	S	S	*	*			trans	-136.2	177.6	-167.8	39.7	0	0	0	0	110.4
981	P	48.6	Very low	29.4	Very low	107 Å²	107	118.6 Å²	118.6	70%	0.695	80%	0.803	S	S	*	*			cis	-134.6	-179.6	-28.6	32.8	-13.9	0	0	0	114.7
982	S	24.4	Very low	29.6	Very low	122 Å²	122	121.4 Å²	121.4	85%	0.853	80%	0.802	S	S	*	*			trans	73.3	159.7	159.4	85.9	0	0	0	0	117
983	A	24.1	Very low	29.5	Very low	94 Å²	94	120.8 Å²	120.8	78%	0.777	80%	0.804	S	S	*	*			cis	-146.3	166.3	-1.2	0	0	0	0	0	111
984	S	30.7	Very low	29.5	Very low	112 Å²	112	125.6 Å²	125.6	78%	0.783	81%	0.808	S	S	*	*			trans	-97.6	160.8	171	50.4	0	0	0	0	112.3
985	P	40.3	Very low	29.4	Very low	128 Å²	128	123.2 Å²	123.2	83%	0.831	80%	0.8	S	S	*	*				-147.7	-175.3	106.6	38.6	-21.2	0	0	0	116.4
986	L	23.1	Very low	29.4	Very low	164 Å²	164	124 Å²	124	86%	0.859	80%	0.795	S	S	*	*			trans	-73.4	-173.2	179.8	-63.1	161.4	0	0	0	112.3
987	P	44.7	Very low	29.3	Very low	109 Å²	109	125.9 Å²	125.9	71%	0.708	78%	0.784	S	S	*	*			cis	-154.9	175.4	16.5	47.6	-26.2	0	0	0	121.5
988	V	25.8	Very low	29.4	Very low	132 Å²	132	127.7 Å²	127.7	80%	0.8	78%	0.78	S	S	*	*			trans	81.6	121.7	130.9	143.7	0	0	0	0	125.2
989	V	26.7	Very low	28.4	Very low	122 Å²	122	127.1 Å²	127.1	74%	0.739	77%	0.774	S	S	*	*			trans	101.3	125	131.9	150.7	0	0	0	0	126.1
990	T	25.5	Very low	28.3	Very low	113 Å²	113	132.5 Å²	132.5	69%	0.693	78%	0.776	S	S	*	*			trans	46.2	120	152	63.1	0	0	0	0	126.6
991	D	26.4	Very low	28.3	Very low	136 Å²	136	130 Å²	130	73%	0.727	76%	0.764	S	S	*	*				46	130.1	115.6	-60.6	-0.1	0	0	0	125.7
992	H	29.5	Very low	27.1	Very low	182 Å²	182	133.7 Å²	133.7	84%	0.843	77%	0.772	S	S	*	*			trans	56.6	121	140	-67	-52.6	0	0	0	123.8
993	A	25.7	Very low	27.1	Very low	105 Å²	105	132.4 Å²	132.4	87%	0.868	77%	0.769	S	S	*	*			trans	-166.2	179.2	133.5	0	0	0	0	0	112.3
994	M	25.5	Very low	27.2	Very low	176 Å²	176	132.7 Å²	132.7	87%	0.867	77%	0.766	S	S	*	*			trans	-119	-178	-172.2	-70.2	-174.9	157.6	0	0	114.8
995	T	26	Very low	27.2	Very low	119 Å²	119	135.3 Å²	135.3	73%	0.73	77%	0.77	S	S	*	*			trans	87.4	115.9	144.1	38.6	0	0	0	0	122.7
996	N	26.9	Very low	27.6	Very low	130 Å²	130	134.5 Å²	134.5	70%	0.695	76%	0.764	S	S	*	*				82.6	141.3	123.7	-81	40.8	0	0	0	126.4
997	D	23.8	Very low	27.7	Very low	128 Å²	128	133.7 Å²	133.7	68%	0.684	76%	0.761	S	S	*	*			trans	87.5	98.2	135.1	-65.9	-19.4	0	0	0	125.6
998	V	26.3	Very low	26.8	Very low	114 Å²	114	134.7 Å²	134.7	69%	0.691	76%	0.756	S	S	*	*				77.1	122	105.4	165.4	0	0	0	0	122.7
999	T	24.3	Very low	26.8	Very low	119 Å²	119	138.7 Å²	138.7	73%	0.73	76%	0.757	S	S	*	*			trans	65.5	154	161.1	54.5	0	0	0	0	118.3
1000	W	23.3	Very low	26.7	Very low	234 Å²	234	139.7 Å²	139.7	89%	0.886	76%	0.764	S	S	*	*			cis	-166.5	174	4.3	-123	9.8	0	0	0	108.9
1001	S	23.9	Very low	26.6	Very low	85 Å²	85	142.2 Å²	142.2	59%	0.594	77%	0.772	S	S	*	*			cis	-167.5	-172	-12.2	-153.3	0	0	0	0	111.7
1002	E	22.7	Very low	26.5	Very low	183 Å²	183	141.1 Å²	141.1	86%	0.855	77%	0.77	S	S	*	*			trans	69.1	123.9	156.5	-70.3	-170	144.8	0	0	125.2
1003	A	23.9	Very low	26.2	Very low	96 Å²	96	141.7 Å²	141.7	79%	0.793	77%	0.771	S	S	*	*			trans	60.9	144.1	141.4	0	0	0	0	0	123.8
1004	S	26.3	Very low	26.2	Very low	100 Å²	100	140.7 Å²	140.7	70%	0.699	76%	0.762	S	S	*	*			cis	-172.5	129	-19.8	54	0	0	0	0	114.5
1005	L	30	Very low	26.2	Very low	167 Å²	167	140.8 Å²	140.8	87%	0.874	76%	0.761	S	S	*	*			trans	59	163.4	152.7	-66.4	171.4	0	0	0	121.4
1006	P	49.6	Very low	26.1	Very low	110 Å²	110	145.6 Å²	145.6	71%	0.714	77%	0.766	S	S	*	*			cis	-113	-175	-28.9	38.7	-23.4	0	0	0	111.2
1007	D	24.9	Very low	26	Very low	148 Å²	148	151.2 Å²	151.2	79%	0.791	78%	0.777	S	S	*	*			cis	-164.8	178.7	30.9	-149.9	-15.3	0	0	0	114.1
1008	E	26	Very low	25.9	Very low	130 Å²	130	154 Å²	154	61%	0.607	79%	0.786	S	S	*	*			trans	54.4	88.8	161.1	-73.4	-104.7	96.1	0	0	121.9
1009	R	25.6	Very low	25.9	Very low	216 Å²	216	156.8 Å²	156.8	82%	0.815	80%	0.796	S	S	*	*				48.7	110.1	125	-63.8	-175.4	175.4	131.4	-9.1	121.2
1010	T	25.3	Very low	25.7	Very low	143 Å²	143	156.7 Å²	156.7	88%	0.877	80%	0.8	S	S	*	*			trans	-151	141	131	-14.7	0	0	0	0	109.7
1011	L	23.8	Very low	25.8	Very low	166 Å²	166	150.2 Å²	150.2	87%	0.869	79%	0.791	S	S	*	*			trans	-127.5	134	179.1	-89.2	172.8	0	0	0	112.7
1012	T	23.5	Very low	26.4	Very low	113 Å²	113	151.8 Å²	151.8	69%	0.693	80%	0.799	S	S	*	*			trans	-127.8	-151.4	164.9	56.1	0	0	0	0	107.7
1013	F	23.3	Very low	26.5	Very low	193 Å²	193	149.6 Å²	149.6	85%	0.846	79%	0.793	S	S	*	*			trans	70.1	131.5	-170.4	-63.2	-94.7	0	0	0	114.5
1014	A	24.7	Very low	26.8	Very low	84 Å²	84	153.7 Å²	153.7	69%	0.694	80%	0.796	S	S	*	*			cis	110.5	124.4	3.7	0	0	0	0	0	116.4
1015	E	26.6	Very low	26.9	Very low	178 Å²	178	155 Å²	155	83%	0.832	80%	0.8	S	S	*	*			trans	65.3	152.2	156.4	-61.9	-149.9	146.5	0	0	122.8
1016	R	23.4	Very low	26.7	Very low	221 Å²	221	154 Å²	154	83%	0.834	80%	0.795	S	S	*	*			trans	67.8	107	153.8	-131.5	171.6	-164.2	143.9	2.2	118.7
1017	W	25.1	Very low	25.7	Very low	247 Å²	247	154.2 Å²	154.2	94%	0.936	79%	0.794	S	S	*	*			trans	-94.4	129.8	165.5	-71.7	52.2	0	0	0	109.8
1018	Q	21.8	Very low	25.8	Very low	187 Å²	187	154.1 Å²	154.1	87%	0.874	79%	0.794	S	S	*	*			trans	-122.7	157.3	156.5	-89.3	-173.8	-46.7	0	0	108.5
1019	L	25.2	Very low	25.9	Very low	173 Å²	173	155 Å²	155	91%	0.906	80%	0.803	S	S	*	*			trans	-108	135.9	-168.7	-147.2	79.1	0	0	0	110.8
1020	S	21.8	Very low	26	Very low	116 Å²	116	151.6 Å²	151.6	81%	0.811	80%	0.801	S	S	*	*			trans	-146.9	154.5	168	56.3	0	0	0	0	110.1
1021	S	23.5	Very low	26.1	Very low	98 Å²	98	152 Å²	152	69%	0.685	80%	0.797	S	S	*	*			trans	-73.2	176.4	-177.8	49.6	0	0	0	0	113.2
1022	P	37.1	Very low	27	Very low	119 Å²	119	150.1 Å²	150.1	77%	0.773	79%	0.794	S	S	*	*				-137	175.3	97.4	40.9	-30.9	0	0	0	115.1
1023	D	26.2	Very low	27.2	Very low	137 Å²	137	153.7 Å²	153.7	73%	0.733	80%	0.8	S	S	*	*			trans	-78.4	179.5	175.7	-37.7	-85.7	0	0	0	111.1
1024	E	28.3	Very low	27.3	Very low	181 Å²	181	149.6 Å²	149.6	85%	0.846	80%	0.796	S	S	*	*			cis	-160.7	-165.3	7.7	-150.3	170.4	-149.8	0	0	109.9
1025	V	28.5	Very low	27.3	Very low	129 Å²	129	157 Å²	157	78%	0.782	81%	0.805	S	S	*	*			trans	99.8	135.6	165.9	-171.3	0	0	0	0	117.9
1026	D	26.7	Very low	27.2	Very low	145 Å²	145	152.9 Å²	152.9	78%	0.775	80%	0.802	S	S	*	*			trans	-69.1	174.9	-170	-51.9	-82.9	0	0	0	115.4
1027	T	28.1	Very low	27.4	Very low	114 Å²	114	148.5 Å²	148.5	70%	0.699	81%	0.806	S	S	*	*			cis	-155.2	156.2	35.1	53.3	0	0	0	0	114.7
1028	D	27.2	Very low	27.5	Very low	146 Å²	146	146.2 Å²	146.2	78%	0.781	80%	0.802	S	S	*	*			trans	60.6	140	144.2	-62.9	2.2	0	0	0	120.3
1029	D	28.8	Very low	27.7	Very low	149 Å²	149	149.4 Å²	149.4	80%	0.797	81%	0.806	S	S	*	*			cis	-161	-174.9	-13.4	-158.6	-5.7	0	0	0	109.6
1030	D	27.1	Very low	27.7	Very low	145 Å²	145	147.2 Å²	147.2	78%	0.775	80%	0.8	S	S	*	*			trans	77.8	111	160.4	-105.9	-25.5	0	0	0	120.6
1031	L	26.9	Very low	27.8	Very low	152 Å²	152	148 Å²	148	80%	0.796	81%	0.805	S	S	*	*			trans	-115	155.5	164.5	-85.3	168	0	0	0	109.3
1032	P	42.8	Very low	27.8	Very low	125 Å²	125	146.5 Å²	146.5	81%	0.812	80%	0.804	S	S	*	*				-140.4	120.5	123.5	29	-12.3	0	0	0	116.6
1033	K	27.4	Very low	27.4	Very low	189 Å²	189	146.6 Å²	146.6	82%	0.822	80%	0.802	S	S	*	*			trans	2.6	130	141.5	-59.5	155.5	-173.9	164.3	0	115.4
1034	S	26.6	Very low	27.3	Very low	107 Å²	107	147.4 Å²	147.4	75%	0.748	81%	0.807	S	S	*	*				175.9	179.6	72.6	59.8	0	0	0	0	109.4
1035	R	25	Very low	27.3	Very low	238 Å²	238	145.5 Å²	145.5	90%	0.898	80%	0.802	S	S	*	*			cis	-159.8	151.2	19.5	-148	170.1	-165.1	170.7	4.5	109.1
1036	A	24.2	Very low	27.3	Very low	93 Å²	93	146.9 Å²	146.9	77%	0.769	81%	0.805	S	S	*	*			trans	-92.3	159.2	-176.9	0	0	0	0	0	114.1
1037	S	26.7	Very low	27.3	Very low	129 Å²	129	149 Å²	149	90%	0.902	81%	0.811	S	S	*	*			trans	-156	120.2	153	-82.7	0	0	0	0	111.7
1038	K	27.7	Very low	27.3	Very low	199 Å²	199	148.7 Å²	148.7	87%	0.865	81%	0.813	S	S	*	*			trans	-94.1	146.5	163.8	-68.6	179.2	175.6	-179	0	108.9
1039	R	26.1	Very low	28.1	Very low	253 Å²	253	147.7 Å²	147.7	96%	0.955	81%	0.814	S	S	*	*			trans	-139	147.9	150.2	-87.2	-167.3	170.6	-178.9	-3.1	109.6
1040	T	25.1	Very low	28.1	Very low	127 Å²	127	145.3 Å²	145.3	78%	0.779	81%	0.809	S	S	*	*			trans	-146.5	130.7	-167.7	44.8	0	0	0	0	110.8
1041	C	24.2	Very low	28.1	Very low	134 Å²	134	147.1 Å²	147.1	91%	0.905	81%	0.81	S	S	*	*			trans	-170.9	143	161.3	-88.2	0	0	0	0	104.7
1042	G	23	Very low	28.1	Very low	65 Å²	65	146.2 Å²	146.2	67%	0.67	81%	0.805	S	S	*	*			cis	89.5	129.4	12.8	0	0	0	0	0	111.2
1043	V	27.9	Very low	27.2	Very low	122 Å²	122	147.2 Å²	147.2	74%	0.739	80%	0.803	S	S	*	*			cis	-153.1	156	0.7	-178.7	0	0	0	0	107.4
1044	N	24.8	Very low	27.2	Very low	154 Å²	154	145.6 Å²	145.6	82%	0.824	80%	0.8	S	S	*	*			trans	166.9	147.1	136	-84.6	1.4	0	0	0	112.4
1045	D	27.5	Very low	27.1	Very low	141 Å²	141	146.5 Å²	146.5	75%	0.754	80%	0.8	S	S	*	*			trans	-117.2	-171.9	-176.5	-69	-75.7	0	0	0	111.7
1046	D	28.8	Very low	27	Very low	158 Å²	158	138.4 Å²	138.4	85%	0.845	79%	0.791	S	S	*	*			trans	71.3	148.9	173.3	-59.1	-42	0	0	0	117.1
1047	E	26.4	Very low	27.1	Very low	190 Å²	190	142.7 Å²	142.7	89%	0.888	80%	0.796	S	S	*	*			cis	-140.2	172.5	11.9	-150.8	172.1	-165.4	0	0	113
1048	S	29.3	Very low	27.1	Very low	106 Å²	106	141.7 Å²	141.7	74%	0.741	79%	0.789	S	S	*	*			trans	-105.1	-178.8	-176.3	-131.4	0	0	0	0	111.6
1049	P	44.4	Very low	27.8	Very low	125 Å²	125	137.9 Å²	137.9	81%	0.812	78%	0.784	S	S	*	*			cis	-150.2	-170.2	46.8	42.1	-18.4	0	0	0	118.1
1050	S	27.6	Very low	27.9	Very low	99 Å²	99	134.3 Å²	134.3	69%	0.692	78%	0.778	S	S	*	*			trans	-104.3	178.5	-169.6	55.4	0	0	0	0	115.6
1051	K	27.2	Very low	28	Very low	183 Å²	183	134.3 Å²	134.3	80%	0.796	78%	0.777	S	S	*	*			trans	118.1	148.8	155	-69.6	-178.8	-177.9	174.6	0	116.6
1052	I	27.2	Very low	28.2	Very low	134 Å²	134	132.5 Å²	132.5	69%	0.687	77%	0.766	S	S	*	*			cis	-173.9	165.9	-23.2	-116.1	175.5	0	0	0	108.8
1053	L	25.2	Very low	28.4	Very low	146 Å²	146	134.5 Å²	134.5	76%	0.764	77%	0.77	S	S	*	*			trans	66.9	157.9	170.2	-73.2	160.3	0	0	0	117.7
1054	M	25.7	Very low	28.3	Very low	155 Å²	155	139.8 Å²	139.8	76%	0.764	78%	0.777	S	S	*	*			cis	-174.3	154.8	-31.4	-142.1	-169.7	-159.2	0	0	111
1055	V	24.3	Very low	28.4	Very low	125 Å²	125	139.2 Å²	139.2	76%	0.758	77%	0.773	S	S	*	*			trans	62.3	150.9	163.5	-177.6	0	0	0	0	115	E1057	V1055-E1057 HydrophobicContact CG1-CG 4.05Å
1056	G	24.6	Very low	28.3	Very low	69 Å²	69	139.7 Å²	139.7	71%	0.711	77%	0.771	S	S	*	*			cis	170.9	-175.9	0.8	0	0	0	0	0	108.7
1057	E	24.9	Very low	28.2	Very low	183 Å²	183	138.2 Å²	138.2	86%	0.855	76%	0.763	S	S	*	*			cis	-151.1	-136.9	-6.9	-72.5	-149.4	71	0	0	109.5	V1055	V1055-E1057 HydrophobicContact CG1-CG 4.05Å
1058	S	28	Very low	28.1	Very low	108 Å²	108	137.4 Å²	137.4	76%	0.755	76%	0.764	S	S	*	*			trans	-134.3	161.4	169.5	-66.8	0	0	0	0	111
1059	P	41.9	Very low	28.1	Very low	118 Å²	118	143.3 Å²	143.3	77%	0.766	77%	0.77	S	S	*	*				-142.6	149.5	101.9	39.8	-26.1	0	0	0	112.2
1060	Q	28.8	Very low	27.3	Very low	179 Å²	179	144.6 Å²	144.6	84%	0.836	77%	0.769	S	S	*	*				59.6	127.9	57	-67.7	-154.1	11.6	0	0	116.4
1061	V	25.5	Very low	27.3	Very low	126 Å²	126	145.8 Å²	145.8	76%	0.764	77%	0.768	S	S	*	*				169	122.3	112.2	159.6	0	0	0	0	113.7
1062	S	29.7	Very low	27.4	Very low	96 Å²	96	143.6 Å²	143.6	67%	0.671	77%	0.765	S	S	*	*			trans	16.2	120.4	156.5	72.7	0	0	0	0	125.6
1063	S	27.3	Very low	27.3	Very low	108 Å²	108	145.4 Å²	145.4	76%	0.755	78%	0.775	S	S	*	*				21.7	137.5	120.9	65.4	0	0	0	0	124.4
1064	R	25.6	Very low	27.4	Very low	233 Å²	233	145.8 Å²	145.8	88%	0.879	78%	0.776	S	S	*	*			trans	-139.4	130.9	135.9	-79.8	-173	177.1	172.5	-1.1	107.5
1065	L	25.6	Very low	28.2	Very low	142 Å²	142	143.4 Å²	143.4	74%	0.743	77%	0.772	S	S	*	*				55.4	130	80.8	-65.3	175.5	0	0	0	113.5
1066	Q	26.8	Very low	28.2	Very low	150 Å²	150	148.3 Å²	148.3	70%	0.701	78%	0.777	S	S	*	*			cis	-167.8	164.2	-12.1	-142.3	-179.6	7.6	0	0	109.5
1067	N	26	Very low	28.4	Very low	128 Å²	128	153.2 Å²	153.2	68%	0.684	78%	0.781	S	S	*	*			trans	46	119.9	155.1	-58.4	-26.1	0	0	0	120.8
1068	L	25.5	Very low	28.5	Very low	173 Å²	173	151.3 Å²	151.3	91%	0.906	78%	0.776	S	S	*	*				-169.7	146.4	107.8	-101.1	164	0	0	0	111.7
1069	R	28.4	Very low	28.6	Very low	230 Å²	230	155.4 Å²	155.4	87%	0.868	78%	0.781	S	S	*	*			trans	-96.8	151.7	165.9	-65.8	176.3	174.2	175.5	-2.9	108.4
1070	L	27.7	Very low	28	Very low	152 Å²	152	159.4 Å²	159.4	80%	0.796	79%	0.786	S	S	*	*			trans	-175.6	120.1	132.2	-101.1	160.9	0	0	0	113.1
1071	N	28.4	Very low	28.6	Very low	123 Å²	123	156 Å²	156	66%	0.658	78%	0.78	S	S	*	*			trans	31.1	131.2	140.5	-60.4	7.3	0	0	0	122.9
1072	N	27.5	Very low	28.8	Very low	137 Å²	137	155.4 Å²	155.4	73%	0.733	78%	0.777	S	S	*	*				53.7	114.9	129.9	-50.1	-5.8	0	0	0	120
1073	L	26.2	Very low	28.8	Very low	172 Å²	172	156.9 Å²	156.9	90%	0.901	78%	0.777	S	S	*	*				-174.3	158.5	95.3	-94.9	166.3	0	0	0	111.1
1074	I	27.1	Very low	29.1	Very low	155 Å²	155	158.2 Å²	158.2	80%	0.795	78%	0.776	S	S	*	*			trans	-118.9	-179.3	173.8	-23.9	178.7	0	0	0	109
1075	P	42.1	Very low	29.4	Very low	104 Å²	104	155.5 Å²	155.5	68%	0.675	77%	0.773	S	S	*	*				-97.8	171.7	-109	39.4	-27.2	0	0	0	113.6
1076	R	25.7	Very low	29.8	Very low	228 Å²	228	156.3 Å²	156.3	86%	0.86	77%	0.773	S	S	*	*				172.5	165.4	125	-98.5	164.1	176.4	-169	-1.3	112.5
1077	Q	28.5	Very low	30.3	Very low	172 Å²	172	159.6 Å²	159.6	80%	0.804	80%	0.803	S	S	*	*			trans	68.9	143	164.8	-69.4	173.8	7.1	0	0	115.4
1078	L	26.4	Very low	30.6	Very low	143 Å²	143	161.2 Å²	161.2	75%	0.749	81%	0.809	S	S	*	*			cis	-145.2	162	0.4	-117	157.7	0	0	0	110.7
1079	F	29.1	Very low	30.8	Very low	194 Å²	194	160.6 Å²	160.6	85%	0.851	80%	0.804	S	S	*	*			trans	-61.8	140.7	172.8	-64.6	-104	0	0	0	111.7
1080	K	29.5	Very low	31	Very low	202 Å²	202	156.7 Å²	156.7	88%	0.878	80%	0.801	S	S	*	*				-175.3	169.1	106.1	-97	-171.7	177.1	-173.7	0	111.8
1081	P	42.8	Very low	31.2	Very low	109 Å²	109	157 Å²	157	71%	0.708	80%	0.801	S	S	*	*			trans	-115.4	-144.3	-153.7	45.7	-37.3	0	0	0	113.4
1082	T	29.6	Very low	31.3	Very low	113 Å²	113	159.1 Å²	159.1	69%	0.693	81%	0.81	S	S	*	*			trans	89.2	123.8	161.8	25.1	0	0	0	0	119.5
1083	D	28.5	Very low	31.6	Very low	126 Å²	126	160.6 Å²	160.6	67%	0.674	82%	0.815	S	S	*	*			trans	78.4	119.6	142.6	-55.5	-23	0	0	0	123.1
1084	N	33.2	Very low	32	Very low	137 Å²	137	159.8 Å²	159.8	73%	0.733	81%	0.809	S	S	*	*				35.9	125.7	122	-44.8	-36.2	0	0	0	118.2
1085	Q	33	Very low	32.3	Very low	176 Å²	176	160.2 Å²	160.2	82%	0.822	81%	0.81	S	S	*	*				-168.2	-179.3	77.9	-134	171.8	-27.2	0	0	113.2
1086	E	34.2	Very low	31.5	Very low	159 Å²	159	164.8 Å²	164.8	74%	0.743	82%	0.822	S	S	*	*			trans	-71.5	141.6	-171	-57.8	139.3	115.2	0	0	114.1
1087	T	37.8	Very low	32.1	Very low	219 Å²	219	159.1 Å²	159.1	100%	1.344	82%	0.818	S	S	*	*			trans	-162.9	0	131.8	-0.2	0	0	0	0	111.6

Retrieved 1,087 of 1,087 residues in 341.1 ms (Link to these results)

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