A0A077Z1S0_TRITR Loading...

Ubiquitin carboxyl-terminal hydrolase

AlphaFold DB , UniProt , Accession A0A077Z1S0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 833 aa.

						>A0A077Z1S0_TRITR|A0A077Z1S0
MAQNSRCSKDLLLFQSVKQLQQYASNFKCNVLSGTLERAKGTIDMLYREALKQDQIGDEETAYIYYYRVCSLLSEYRKKFEAQFFSNVNSTGTRQTQFVSILSMSVSRASELLDSLQSRYEEVNSEPKNDAMDVANDVDHSEKVIEMTDQCSVDEFEEYSSGPGSLSMITSSDLYQLIQKDQSNILVIDVRNPEDFAKSRIKLPHGSIVNIPPRCIRPGITSRSLEMSLKPHDRLVFRKRFKAQHVIVVDEMLDCDGSEPSLLLTSLNEALVQFDQCFREKKPKYLLGGFLNWTNYYPMFCTSFEYRSTESSSPQLLPTTEISGTLLINYPKLKEFENGFTTVNNESAAAPAASFSSSLKPEMPVKAGRGRPPQIDRKLKPRTVPRLLRLKIVPKQTIDLTKDSEKIDKTKDAPVNTVVANSLDAGLQAAQICAAEDAGPFSGATPPTVPDRERKPTIRPGKEDVGQIESCLSFLKNSKSTGRRAALTGLVNLGNTCYLNSVVQCLYHTWILRQYFTTDAFLKDFSVLTCQYNRCPKIATQVKVLFEKLSTKRSSAVAPIDFKEAIQEGSTFFEDDRQQDAQEFLIFLFDALHEEMNLASVEVMRQNGSALVDHDLSQASADTCWNLYVKENRSLIVDLFQGQCRSSTQCLHCGMTSSKFDVYMNFSLPVPIDKPSTLQESLALFAKDEYLSEEVGWRCDRCKIKRPAVRHDRLIRAPVMFLVHLKRFTHDGSETGKIETFVDFPTVQPLDLSLITDKCSAASRRRYILTAVINHEGTASCGHYYSFCRYGDPSIWIRCDDEAVSIISESSVCTRNAYLLFYLAEEYVQPKTL
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	28.2	Very low	46	Very low	247 Å²	247	124.5 Å²	124.5	100%	1.217	68%	0.676	S	S	*	*				0	92.4	0	-68.7	-171.8	178.1	0	0	107.2
2	A	29.6	Very low	47.8	Very low	97 Å²	97	126.3 Å²	126.3	80%	0.802	68%	0.683	S	S	*	*			trans	-128.7	85.9	169.9	0	0	0	0	0	104.5	N4	A2-N4 PolarHBondContact O-N 3.36Å
3	Q	32	Very low	49.2	Very low	188 Å²	188	123.6 Å²	123.6	88%	0.879	67%	0.667	S	S	*	*			trans	-52.8	129.7	164.4	-75.2	171	-33.2	0	0	106.1	S5	Q3-S5 PolarHBondContact O-N 3.49Å
4	N	34.7	Very low	51.4	Low	162 Å²	162	117.6 Å²	117.6	87%	0.866	63%	0.632	S	S	*	*			trans	-55.8	92.1	170.4	-80.3	-25.3	0	0	0	107.7	A2 R6	A2-N4 PolarHBondContact O-N 3.36Å; N4-R6 PolarHBondContact O-N 3.29Å
5	S	34.8	Very low	53.2	Low	105 Å²	105	119.9 Å²	119.9	73%	0.734	64%	0.637	S	S	*	*			trans	-66.6	94.1	162.7	60.6	0	0	0	0	104.8	Q3 C7	Q3-S5 PolarHBondContact O-N 3.49Å; S5-C7 PolarHBondContact O-N 3.43Å
6	R	46.9	Very low	55	Low	156 Å²	156	114.4 Å²	114.4	59%	0.589	61%	0.612	S	S	*	*			trans	-49	117.5	158.8	-81.5	-177	176.4	-171.7	-1.7	104.4	N4 S8 D54	N4-R6 PolarHBondContact O-N 3.29Å; R6-S8 PolarHBondContact O-N 3.22Å; R6-D54 IonicContact NH1-OD2 3.34Å; R6-D54 PolarHBondContact NH1-OD2 3.33Å
7	C	46.3	Very low	56.8	Low	119 Å²	119	108.8 Å²	108.8	80%	0.804	58%	0.583	S	S	*	*			trans	-72.1	87.5	-178.3	-150.3	0	0	0	0	106.1	S5 K9	S5-C7 PolarHBondContact O-N 3.43Å; C7-K9 PolarHBondContact O-N 3.29Å
8	S	53.3	Low	58.4	Low	38 Å²	38	112.1 Å²	112.1	27%	0.266	59%	0.591	S	S	.	*	P	Polyproline II helix	trans	-60.9	123.3	178.2	-57	0	0	0	0	107.6	R6 E59	R6-S8 PolarHBondContact O-N 3.22Å; S8-E59 WeakPolarHBondContact CB-OE1 3.48Å; S8-E59 PolarHBondContact OG-OE1 3.04Å
9	K	65	Low	59.7	Low	95 Å²	95	110.2 Å²	110.2	41%	0.413	58%	0.578	S	S	.	*	P	Polyproline II helix	trans	-58.9	156	179.4	-74.5	-174.9	177.1	-178.6	0	111.3	C7 I56 G57 D58 R119	C7-K9 PolarHBondContact O-N 3.29Å; K9-I56 VanDerWaalsContact NZ-CG2 3.27Å; K9-G57 PolarHBondContact N-O 3.21Å; K9-D58 HydrophobicContact CD-CB 4.29Å; K9-R119 VanDerWaalsContact O-CZ 3.23Å; K9-R119 PolarHBondContact O-NH1 3.45Å; K9-R119 PolarHBondContact O-NH2 3.27Å
10	D	66.9	Low	61.1	Low	127 Å²	127	104.7 Å²	104.7	68%	0.679	55%	0.549	S	S	*	.	P	Polyproline II helix	trans	-57.5	144.6	172.5	-63.5	-36.6	0	0	0	111.5	L12	D10-L12 PolarHBondContact O-N 3.18Å
11	L	68.3	Low	62.3	Low	36 Å²	36	103.1 Å²	103.1	19%	0.188	54%	0.539	C	S	.	.			trans	-68.4	112.5	175.6	-63.4	168.6	0	0	0	108	E60 L116 R119 Y120 V123	L11-E60 HydrophobicContact CD2-CG 3.98Å; L11-L116 HydrophobicContact CD2-CD2 3.5Å; L11-L116 VanDerWaalsContact CD2-CD2 3.5Å; L11-R119 HydrophobicContact CD1-CB 3.83Å; L11-Y120 HydrophobicContact CB-CE1 4.31Å; L11-Y120 HydrophobicContact CD1-CD1 3.69Å; L11-Y120 HydrophobicContact CD1-CE1 3.83Å; L11-Y120 HydrophobicContact CD1-CG 4.06Å; L11-Y120 HydrophobicContact CD2-CE1 4.21Å; L11-Y120 HydrophobicContact CD2-CE2 4.21Å; L11-Y120 HydrophobicContact CG-CE1 4.35Å; L11-V123 HydrophobicContact CD1-CG2 4.25Å
12	L	67.4	Low	65	Low	145 Å²	145	97 Å²	97	76%	0.759	51%	0.508	S	S	*	.			trans	-121.3	-26.5	-171.3	-72.1	170.5	0	0	0	113	D10 E60	D10-L12 PolarHBondContact O-N 3.18Å; L12-E60 PolarHBondContact N-OE2 3.41Å; L12-E60 VanDerWaalsContact N-OE2 3.1Å
13	L	66.1	Low	67.6	Low	92 Å²	92	97.9 Å²	97.9	48%	0.482	49%	0.491	S	S	.	.	S	Bend	trans	-91.3	-33.8	-167.6	-64.3	172	0	0	0	113.4	E60 T61	L13-E60 WeakPolarHBondContact CB-OE2 3.38Å; L13-E60 HydrophobicContact CD1-CB 4.15Å; L13-E60 PolarHBondContact N-OE2 3.25Å; L13-T61 WeakPolarHBondContact CD1-OG1 3Å
14	F	80.5	Confident	70.2	Confident	40 Å²	40	89 Å²	89	18%	0.175	45%	0.449	C	S	.	.			trans	-136.9	162.1	-175.7	-53.3	-83.9	0	0	0	112.2	Q19 L20 Y23 E60 I64 Y120	F14-Q19 HydrophobicContact CB-CB 4.1Å; F14-Q19 HydrophobicContact CD1-CB 4Å; F14-Q19 HydrophobicContact CG-CB 4.41Å; F14-L20 HydrophobicContact CB-CB 4.32Å; F14-L20 HydrophobicContact CD2-CB 3.87Å; F14-L20 HydrophobicContact CD2-CD1 3.45Å; F14-L20 VanDerWaalsContact CD2-CD1 3.45Å; F14-L20 HydrophobicContact CD2-CG 4.26Å; F14-L20 HydrophobicContact CE2-CB 4.46Å; F14-L20 HydrophobicContact CE2-CD1 3.42Å; F14-L20 VanDerWaalsContact CE2-CD1 3.42Å; F14-L20 HydrophobicContact CG-CB 4.06Å; F14-L20 HydrophobicContact CG-CD1 4.43Å; F14-L20 HydrophobicContact CZ-CD1 4.37Å; F14-Y23 HydrophobicContact CE1-CD1 4.28Å; F14-Y23 HydrophobicContact CE1-CD2 4.04Å; F14-Y23 AromaticContact CE1-CG 3.69Å; F14-Y23 HydrophobicContact CE1-CG 3.69Å; F14-Y23 HydrophobicContact CE2-CD1 4.49Å; F14-Y23 AromaticContact CZ-CD1 3.59Å; F14-Y23 HydrophobicContact CZ-CD1 3.59Å; F14-Y23 HydrophobicContact CZ-CD2 4.07Å; F14-Y23 HydrophobicContact CZ-CE1 4.26Å; F14-Y23 AromaticContact CZ-CG 3.48Å; F14-Y23 HydrophobicContact CZ-CG 3.48Å; F14-Y23 VanDerWaalsContact CZ-CG 3.48Å; F14-E60 PolarHBondContact N-OE1 2.94Å; F14-I64 HydrophobicContact CE2-CD1 3.83Å; F14-I64 HydrophobicContact CZ-CD1 4.18Å; F14-Y120 VanDerWaalsContact O-CE1 3.3Å; F14-Y120 WeakPolarHBondContact O-CE1 3.43Å
15	Q	78.2	Confident	72.4	Confident	151 Å²	151	84 Å²	84	71%	0.706	43%	0.428	S	S	*	.	S	Bend	trans	-96.3	-11.7	179.2	-62.1	176	-16.2	0	0	112.9
16	S	82.4	Confident	74.4	Confident	33 Å²	33	84.5 Å²	84.5	23%	0.231	42%	0.422	C	S	.	.	S	Bend	trans	-157.1	155	178.9	65.1	0	0	0	0	111.8	K18 Q19 L20	S16-K18 PolarHBondContact O-N 2.91Å; S16-K18 VanDerWaalsContact O-N 3.16Å; S16-Q19 PolarHBondContact O-N 2.67Å; S16-Q19 VanDerWaalsContact O-N 3.08Å; S16-Q19 PolarHBondContact OG-N 3.42Å; S16-L20 PolarHBondContact O-N 3.48Å; S16-L20 VanDerWaalsContact O-N 3.15Å
17	V	85.7	Confident	75.8	Confident	19 Å²	19	79.5 Å²	79.5	12%	0.115	40%	0.404	C	S	.	.	H	α-helix	trans	-51.3	-37.5	170.7	-178.9	0	0	0	0	111.9	Q19 L20 Q21 L113 Q117 Y120	V17-Q19 PolarHBondContact O-N 2.75Å; V17-L20 PolarHBondContact O-N 3.02Å; V17-Q21 HydrophobicContact CG1-CG 4.14Å; V17-Q21 WeakPolarHBondContact O-CB 3.28Å; V17-Q21 VanDerWaalsContact O-CG 3.31Å; V17-Q21 WeakPolarHBondContact O-CG 3.49Å; V17-Q21 PolarHBondContact O-N 3.46Å; V17-L113 HydrophobicContact CG1-CD1 3.41Å; V17-L113 VanDerWaalsContact CG1-CD1 3.41Å; V17-Q117 HydrophobicContact CG2-CB 3.96Å; V17-Q117 HydrophobicContact CG2-CG 4.35Å; V17-Y120 HydrophobicContact CB-CD2 4.31Å; V17-Y120 HydrophobicContact CG2-CD2 3.32Å; V17-Y120 HydrophobicContact CG2-CE2 3.92Å; V17-Y120 HydrophobicContact CG2-CG 4.17Å
18	K	84.6	Confident	76.8	Confident	168 Å²	168	81.6 Å²	81.6	73%	0.73	40%	0.4	S	S	*	.	H	α-helix	trans	-63.5	-42.7	179.9	-69.9	-177.2	-179.5	176.2	0	112.2	S16 Q21 Q22	S16-K18 PolarHBondContact O-N 2.91Å; S16-K18 VanDerWaalsContact O-N 3.16Å; K18-Q21 PolarHBondContact O-N 3.39Å; K18-Q22 WeakPolarHBondContact O-CB 3.46Å; K18-Q22 PolarHBondContact O-N 2.78Å
19	Q	84.4	Confident	76.9	Confident	75 Å²	75	80.6 Å²	80.6	35%	0.35	39%	0.393	S	S	.	.	H	α-helix	trans	-65.7	-43	176.5	-75.4	177.4	-7.4	0	0	111.3	F14 S16 V17 Q22 Y23	F14-Q19 HydrophobicContact CB-CB 4.1Å; F14-Q19 HydrophobicContact CD1-CB 4Å; F14-Q19 HydrophobicContact CG-CB 4.41Å; S16-Q19 PolarHBondContact O-N 2.67Å; S16-Q19 VanDerWaalsContact O-N 3.08Å; S16-Q19 PolarHBondContact OG-N 3.42Å; V17-Q19 PolarHBondContact O-N 2.75Å; Q19-Q22 PolarHBondContact O-N 3.21Å; Q19-Y23 WeakPolarHBondContact O-CB 3.48Å; Q19-Y23 PolarHBondContact O-N 3.17Å
20	L	86.6	Confident	76.4	Confident	0 Å²	0	82.7 Å²	82.7	0%	0	41%	0.409	C	S	.	.	H	α-helix	trans	-58.5	-49.1	175.2	174.6	68.7	0	0	0	111.6	F14 S16 V17 Y23 A24 E60 Y63 I64 L116	F14-L20 HydrophobicContact CB-CB 4.32Å; F14-L20 HydrophobicContact CD2-CB 3.87Å; F14-L20 HydrophobicContact CD2-CD1 3.45Å; F14-L20 VanDerWaalsContact CD2-CD1 3.45Å; F14-L20 HydrophobicContact CD2-CG 4.26Å; F14-L20 HydrophobicContact CE2-CB 4.46Å; F14-L20 HydrophobicContact CE2-CD1 3.42Å; F14-L20 VanDerWaalsContact CE2-CD1 3.42Å; F14-L20 HydrophobicContact CG-CB 4.06Å; F14-L20 HydrophobicContact CG-CD1 4.43Å; F14-L20 HydrophobicContact CZ-CD1 4.37Å; S16-L20 PolarHBondContact O-N 3.48Å; S16-L20 VanDerWaalsContact O-N 3.15Å; V17-L20 PolarHBondContact O-N 3.02Å; L20-Y23 PolarHBondContact O-N 3.47Å; L20-A24 WeakPolarHBondContact O-CB 3.38Å; L20-A24 PolarHBondContact O-N 3.33Å; L20-E60 HydrophobicContact CD1-CB 4.2Å; L20-Y63 HydrophobicContact CD1-CD1 4.19Å; L20-Y63 HydrophobicContact CD2-CD1 3.73Å; L20-Y63 HydrophobicContact CD2-CE1 4.28Å; L20-Y63 HydrophobicContact CD2-CG 4.3Å; L20-Y63 HydrophobicContact CG-CD1 3.76Å; L20-Y63 HydrophobicContact CG-CE1 4.13Å; L20-I64 HydrophobicContact CD1-CD1 3.76Å; L20-I64 HydrophobicContact CD1-CG1 3.71Å; L20-L116 HydrophobicContact CD2-CD1 3.56Å
21	Q	86.8	Confident	75.8	Confident	72 Å²	72	81 Å²	81	34%	0.336	40%	0.403	S	S	.	.	H	α-helix	trans	-62	-43.1	177.3	-74.7	-177.1	-31.9	0	0	112	V17 K18 Y23 A24 S25 Y63 L113	V17-Q21 HydrophobicContact CG1-CG 4.14Å; V17-Q21 WeakPolarHBondContact O-CB 3.28Å; V17-Q21 VanDerWaalsContact O-CG 3.31Å; V17-Q21 WeakPolarHBondContact O-CG 3.49Å; V17-Q21 PolarHBondContact O-N 3.46Å; K18-Q21 PolarHBondContact O-N 3.39Å; Q21-Y23 PolarHBondContact O-N 2.8Å; Q21-A24 PolarHBondContact O-N 3.05Å; Q21-S25 WeakPolarHBondContact O-CB 3.43Å; Q21-S25 PolarHBondContact O-N 2.65Å; Q21-S25 PolarHBondContact O-OG 2.95Å; Q21-Y63 HydrophobicContact CG-CE1 4.2Å; Q21-L113 HydrophobicContact CG-CD1 4.22Å
22	Q	84.9	Confident	75.2	Confident	119 Å²	119	79.8 Å²	79.8	56%	0.556	40%	0.396	S	S	*	.	H	α-helix	trans	-61.6	-45.3	177.3	-171.9	177.2	7.2	0	0	111.1	K18 Q19 S25 N26	K18-Q22 WeakPolarHBondContact O-CB 3.46Å; K18-Q22 PolarHBondContact O-N 2.78Å; Q19-Q22 PolarHBondContact O-N 3.21Å; Q22-S25 PolarHBondContact O-N 3.23Å; Q22-S25 PolarHBondContact O-OG 3Å; Q22-N26 PolarHBondContact O-N 3.47Å
23	Y	84.8	Confident	75.1	Confident	116 Å²	116	74.3 Å²	74.3	46%	0.455	37%	0.37	S	S	.	.	H	α-helix	trans	-62.3	-43.5	176.1	-177.9	-91.8	0	0	0	112.4	F14 Q19 L20 Q21 S25 N26 I64	F14-Y23 HydrophobicContact CE1-CD1 4.28Å; F14-Y23 HydrophobicContact CE1-CD2 4.04Å; F14-Y23 AromaticContact CE1-CG 3.69Å; F14-Y23 HydrophobicContact CE1-CG 3.69Å; F14-Y23 HydrophobicContact CE2-CD1 4.49Å; F14-Y23 AromaticContact CZ-CD1 3.59Å; F14-Y23 HydrophobicContact CZ-CD1 3.59Å; F14-Y23 HydrophobicContact CZ-CD2 4.07Å; F14-Y23 HydrophobicContact CZ-CE1 4.26Å; F14-Y23 AromaticContact CZ-CG 3.48Å; F14-Y23 HydrophobicContact CZ-CG 3.48Å; F14-Y23 VanDerWaalsContact CZ-CG 3.48Å; Q19-Y23 WeakPolarHBondContact O-CB 3.48Å; Q19-Y23 PolarHBondContact O-N 3.17Å; L20-Y23 PolarHBondContact O-N 3.47Å; Q21-Y23 PolarHBondContact O-N 2.8Å; Y23-S25 VanDerWaalsContact C-N 3.31Å; Y23-S25 PolarHBondContact O-N 3.12Å; Y23-N26 PolarHBondContact O-N 3.28Å; Y23-I64 HydrophobicContact CD1-CD1 3.74Å; Y23-I64 HydrophobicContact CD1-CG1 4.21Å; Y23-I64 HydrophobicContact CD1-CG2 4.47Å; Y23-I64 HydrophobicContact CE1-CD1 3.91Å; Y23-I64 HydrophobicContact CE1-CG2 4.3Å
24	A	85.7	Confident	75.1	Confident	0 Å²	0	73.6 Å²	73.6	0%	0	39%	0.385	C	S	.	.	H	α-helix	trans	-62	-39.4	176.1	0	0	0	0	0	111.8	L20 Q21 F27 Y63 I64 Y67	L20-A24 WeakPolarHBondContact O-CB 3.38Å; L20-A24 PolarHBondContact O-N 3.33Å; Q21-A24 PolarHBondContact O-N 3.05Å; A24-F27 WeakPolarHBondContact O-CB 3.3Å; A24-Y63 HydrophobicContact CB-CE1 4.14Å; A24-I64 HydrophobicContact CB-CG1 4.33Å; A24-Y67 HydrophobicContact CB-CD1 3.78Å; A24-Y67 HydrophobicContact CB-CE1 4.4Å; A24-Y67 HydrophobicContact CB-CG 3.88Å; A24-Y67 WeakPolarHBondContact O-CD1 3.44Å
25	S	80.5	Confident	74.7	Confident	59 Å²	59	75.3 Å²	75.3	41%	0.413	40%	0.399	S	S	.	.	H	α-helix	trans	-73.3	-26.7	179.3	75.4	0	0	0	0	114.9	Q21 Q22 Y23 F27	Q21-S25 WeakPolarHBondContact O-CB 3.43Å; Q21-S25 PolarHBondContact O-N 2.65Å; Q21-S25 PolarHBondContact O-OG 2.95Å; Q22-S25 PolarHBondContact O-N 3.23Å; Q22-S25 PolarHBondContact O-OG 3Å; Y23-S25 VanDerWaalsContact C-N 3.31Å; Y23-S25 PolarHBondContact O-N 3.12Å; S25-F27 PolarHBondContact O-N 2.87Å
26	N	78.2	Confident	74.5	Confident	115 Å²	115	70.5 Å²	70.5	62%	0.615	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	3.7	178.3	-80.9	-13.1	0	0	0	113.8	Q22 Y23 K28	Q22-N26 PolarHBondContact O-N 3.47Å; Y23-N26 PolarHBondContact O-N 3.28Å; N26-K28 PolarHBondContact O-N 2.86Å; N26-K28 VanDerWaalsContact O-N 3.17Å
27	F	75.2	Confident	74	Confident	50 Å²	50	74.8 Å²	74.8	22%	0.219	39%	0.394	C	S	.	.			trans	-67.5	112.1	175.7	-176.6	-106.5	0	0	0	111	A24 S25 C29 R68 L72	A24-F27 WeakPolarHBondContact O-CB 3.3Å; S25-F27 PolarHBondContact O-N 2.87Å; F27-C29 PolarHBondContact O-N 3.3Å; F27-R68 HydrophobicContact CB-CG 3.84Å; F27-R68 HydrophobicContact CD1-CB 4.17Å; F27-R68 HydrophobicContact CD1-CG 3.88Å; F27-R68 HydrophobicContact CD2-CG 3.96Å; F27-R68 HydrophobicContact CE1-CB 4.36Å; F27-R68 HydrophobicContact CE1-CG 4.42Å; F27-R68 HydrophobicContact CE2-CG 4.49Å; F27-R68 HydrophobicContact CG-CB 4.39Å; F27-R68 HydrophobicContact CG-CG 3.61Å; F27-L72 HydrophobicContact CE1-CD1 3.91Å; F27-L72 HydrophobicContact CE1-CD2 3.97Å; F27-L72 HydrophobicContact CE1-CG 3.86Å; F27-L72 HydrophobicContact CZ-CD1 4.32Å
28	K	68.1	Low	73.4	Confident	164 Å²	164	82.6 Å²	82.6	71%	0.713	42%	0.422	S	S	*	.			trans	-66.5	105.5	176.4	-68.7	-176.9	-180	178.1	0	110.2	N26 N30 V31	N26-K28 PolarHBondContact O-N 2.86Å; N26-K28 VanDerWaalsContact O-N 3.17Å; K28-N30 PolarHBondContact O-N 2.79Å; K28-V31 WeakPolarHBondContact O-CG2 3.45Å
29	C	54.6	Low	73.1	Confident	17 Å²	17	74.6 Å²	74.6	12%	0.115	39%	0.387	C	S	.	.	G	3₁₀ helix	trans	-76.1	-4	177.9	-65.1	0	0	0	0	114.7	F27 V31 L32 L72 E75	F27-C29 PolarHBondContact O-N 3.3Å; C29-V31 PolarHBondContact O-N 3.22Å; C29-L32 PolarHBondContact O-N 2.97Å; C29-L72 HydrophobicContact CB-CD2 4.27Å; C29-E75 HydrophobicContact CB-CG 3.86Å; C29-E75 WeakPolarHBondContact CB-OE1 3.18Å; C29-E75 WeakPolarHBondContact CB-OE2 3.35Å
30	N	54.8	Low	72.8	Confident	139 Å²	139	73.1 Å²	73.1	74%	0.743	38%	0.379	S	S	*	.	G	3₁₀ helix	trans	-54	-6.5	172.6	-70.2	-10	0	0	0	114.8	K28 L32	K28-N30 PolarHBondContact O-N 2.79Å; N30-L32 VanDerWaalsContact C-N 3.33Å
31	V	54.4	Low	72.4	Confident	92 Å²	92	75.1 Å²	75.1	56%	0.558	40%	0.4	S	S	*	.	G	3₁₀ helix	trans	-73.6	-15.2	177.6	-177.6	0	0	0	0	113.6	K28 C29 S33	K28-V31 WeakPolarHBondContact O-CG2 3.45Å; C29-V31 PolarHBondContact O-N 3.22Å; V31-S33 PolarHBondContact O-N 3.5Å
32	L	55.8	Low	72.3	Confident	9 Å²	9	73.4 Å²	73.4	5%	0.047	39%	0.394	C	S	.	.			trans	-63.5	107.2	176.6	-86.9	156.6	0	0	0	111.2	C29 N30 A39 L72 E75 Y76 K79	C29-L32 PolarHBondContact O-N 2.97Å; N30-L32 VanDerWaalsContact C-N 3.33Å; L32-A39 HydrophobicContact CD2-CB 3.49Å; L32-A39 VanDerWaalsContact CD2-CB 3.49Å; L32-L72 HydrophobicContact CD1-CD2 3.77Å; L32-L72 HydrophobicContact CG-CD2 3.78Å; L32-E75 HydrophobicContact CD1-CB 3.38Å; L32-E75 HydrophobicContact CD1-CG 4.47Å; L32-Y76 HydrophobicContact CD2-CD2 4.36Å; L32-K79 HydrophobicContact CB-CD 4.38Å; L32-K79 PolarHBondContact O-NZ 3.35Å
33	S	64.5	Low	72.3	Confident	30 Å²	30	67.8 Å²	67.8	21%	0.21	37%	0.368	C	S	.	.			trans	-54	151.2	177.8	65.4	0	0	0	0	112.3	V31 T35 R38 A39	V31-S33 PolarHBondContact O-N 3.5Å; S33-T35 PolarHBondContact O-N 3.49Å; S33-T35 VanDerWaalsContact O-N 3.15Å; S33-T35 PolarHBondContact OG-O 2.87Å; S33-R38 WeakPolarHBondContact OG-CB 3.43Å; S33-A39 PolarHBondContact OG-N 3.21Å; S33-A39 VanDerWaalsContact OG-N 3.14Å
34	G	66.5	Low	72.3	Confident	78 Å²	78	64.4 Å²	64.4	80%	0.804	36%	0.358	S	S	*	.	S	Bend	trans	-63.3	-18.6	178.8	0	0	0	0	0	115.3
35	T	72.8	Confident	72.2	Confident	76 Å²	76	69.3 Å²	69.3	47%	0.466	38%	0.382	S	S	.	.	S	Bend	trans	-100.6	137.7	179.6	49.8	0	0	0	0	112.5	S33 E37 R38 A39	S33-T35 PolarHBondContact O-N 3.49Å; S33-T35 VanDerWaalsContact O-N 3.15Å; S33-T35 PolarHBondContact OG-O 2.87Å; T35-E37 PolarHBondContact O-N 3.36Å; T35-R38 PolarHBondContact O-N 3.43Å; T35-A39 PolarHBondContact O-N 3.45Å
36	L	72.7	Confident	72.6	Confident	49 Å²	49	67.6 Å²	67.6	26%	0.257	37%	0.368	S	S	.	.	H	α-helix	trans	-53.9	-50	-176.2	-167.8	78.3	0	0	0	112.5	R38 A39 K40 Y76 F80	L36-R38 PolarHBondContact O-N 3.49Å; L36-A39 WeakPolarHBondContact O-CB 3.3Å; L36-A39 PolarHBondContact O-N 3.36Å; L36-K40 WeakPolarHBondContact O-CG 3.39Å; L36-K40 PolarHBondContact O-N 2.74Å; L36-Y76 HydrophobicContact CD1-CE2 3.78Å; L36-Y76 WeakPolarHBondContact CD1-OH 3.39Å; L36-Y76 HydrophobicContact CG-CE2 4.47Å; L36-F80 HydrophobicContact CB-CE1 4.49Å; L36-F80 HydrophobicContact CD1-CB 4.08Å; L36-F80 HydrophobicContact CD1-CD1 3.66Å; L36-F80 HydrophobicContact CD1-CD2 4.07Å; L36-F80 HydrophobicContact CD1-CE1 4.08Å; L36-F80 HydrophobicContact CD1-CE2 4.46Å; L36-F80 HydrophobicContact CD1-CG 3.66Å; L36-F80 HydrophobicContact CD1-CZ 4.47Å
37	E	72.6	Confident	73.2	Confident	123 Å²	123	63 Å²	63	58%	0.575	34%	0.343	S	S	*	.	H	α-helix	trans	-67.4	-36.2	-173.5	-65.1	-53.4	141.1	0	0	113.8	T35 K40 G41	T35-E37 PolarHBondContact O-N 3.36Å; E37-K40 PolarHBondContact O-N 3.35Å; E37-K40 IonicContact OE1-NZ 2.92Å; E37-K40 PolarHBondContact OE1-NZ 2.92Å; E37-K40 IonicContact OE2-NZ 3.04Å; E37-K40 PolarHBondContact OE2-NZ 3.31Å; E37-G41 PolarHBondContact O-N 3.36Å
38	R	74	Confident	73.8	Confident	184 Å²	184	68 Å²	68	69%	0.694	36%	0.36	S	S	*	.	H	α-helix	trans	-68.4	-41	175.6	-77	-175.6	-176.8	167.7	0.5	111.2	S33 T35 L36 K40 G41 T42	S33-R38 WeakPolarHBondContact OG-CB 3.43Å; T35-R38 PolarHBondContact O-N 3.43Å; L36-R38 PolarHBondContact O-N 3.49Å; R38-K40 VanDerWaalsContact C-N 3.29Å; R38-K40 PolarHBondContact O-N 3Å; R38-G41 PolarHBondContact O-N 3.12Å; R38-T42 PolarHBondContact O-N 2.81Å; R38-T42 PolarHBondContact O-OG1 3.46Å; R38-T42 VanDerWaalsContact O-OG1 3.13Å
39	A	77.6	Confident	74.7	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-59.2	-40.5	174.8	0	0	0	0	0	111.9	L32 S33 T35 L36 T42 I43 Y76 F80	L32-A39 HydrophobicContact CD2-CB 3.49Å; L32-A39 VanDerWaalsContact CD2-CB 3.49Å; S33-A39 PolarHBondContact OG-N 3.21Å; S33-A39 VanDerWaalsContact OG-N 3.14Å; T35-A39 PolarHBondContact O-N 3.45Å; L36-A39 WeakPolarHBondContact O-CB 3.3Å; L36-A39 PolarHBondContact O-N 3.36Å; A39-T42 PolarHBondContact O-N 3.23Å; A39-I43 WeakPolarHBondContact O-CG1 3.31Å; A39-I43 PolarHBondContact O-N 3.21Å; A39-Y76 HydrophobicContact CB-CD2 3.83Å; A39-Y76 HydrophobicContact CB-CE2 3.93Å; A39-F80 HydrophobicContact CB-CE2 4.19Å
40	K	78.4	Confident	76.4	Confident	43 Å²	43	60.3 Å²	60.3	19%	0.187	33%	0.325	C	S	.	.	H	α-helix	trans	-62.8	-47	173.6	-62.7	-176.5	-174.8	153.8	0	112.4	L36 E37 R38 T42 I43 D44 Y76 F98	L36-K40 WeakPolarHBondContact O-CG 3.39Å; L36-K40 PolarHBondContact O-N 2.74Å; E37-K40 PolarHBondContact O-N 3.35Å; E37-K40 IonicContact OE1-NZ 2.92Å; E37-K40 PolarHBondContact OE1-NZ 2.92Å; E37-K40 IonicContact OE2-NZ 3.04Å; E37-K40 PolarHBondContact OE2-NZ 3.31Å; R38-K40 VanDerWaalsContact C-N 3.29Å; R38-K40 PolarHBondContact O-N 3Å; K40-T42 VanDerWaalsContact C-N 3.25Å; K40-T42 PolarHBondContact O-N 3.33Å; K40-I43 PolarHBondContact O-N 3.39Å; K40-I43 VanDerWaalsContact O-N 3.16Å; K40-D44 WeakPolarHBondContact O-CB 3.16Å; K40-D44 PolarHBondContact O-N 3.46Å; K40-Y76 VanDerWaalsContact CE-OH 3.25Å; K40-Y76 WeakPolarHBondContact CE-OH 3.22Å; K40-Y76 HydrophobicContact CG-CE2 4.19Å; K40-F98 HydrophobicContact CB-CZ 4.24Å; K40-F98 HydrophobicContact CD-CE2 4.18Å; K40-F98 HydrophobicContact CD-CZ 3.72Å; K40-F98 HydrophobicContact CG-CE1 4.3Å; K40-F98 HydrophobicContact CG-CE2 4.46Å; K40-F98 HydrophobicContact CG-CZ 3.57Å
41	G	78.7	Confident	77.9	Confident	42 Å²	42	56.4 Å²	56.4	43%	0.433	30%	0.303	S	S	.	.	H	α-helix	trans	-57.4	-39.1	178.2	0	0	0	0	0	112.5	E37 R38 M45	E37-G41 PolarHBondContact O-N 3.36Å; R38-G41 PolarHBondContact O-N 3.12Å; G41-M45 WeakPolarHBondContact O-CB 3.46Å; G41-M45 PolarHBondContact O-N 3.25Å
42	T	83.1	Confident	79.4	Confident	36 Å²	36	55.5 Å²	55.5	22%	0.221	29%	0.292	C	S	.	.	H	α-helix	trans	-65.8	-42.8	175.6	-53.5	0	0	0	0	112.8	R38 A39 K40 M45 L46	R38-T42 PolarHBondContact O-N 2.81Å; R38-T42 PolarHBondContact O-OG1 3.46Å; R38-T42 VanDerWaalsContact O-OG1 3.13Å; A39-T42 PolarHBondContact O-N 3.23Å; K40-T42 VanDerWaalsContact C-N 3.25Å; K40-T42 PolarHBondContact O-N 3.33Å; T42-M45 HydrophobicContact CG2-CE 4.44Å; T42-L46 HydrophobicContact CG2-CD1 4.33Å; T42-L46 PolarHBondContact O-N 3.04Å; T42-L46 VanDerWaalsContact O-N 3.12Å
43	I	85.5	Confident	80.8	Confident	2 Å²	2	55.2 Å²	55.2	1%	0.01	29%	0.291	C	S	.	.	H	α-helix	trans	-64.7	-45.4	178.2	-68.3	164.4	0	0	0	110.7	A39 K40 M45 L46 Y47 L72 L73 Y76	A39-I43 WeakPolarHBondContact O-CG1 3.31Å; A39-I43 PolarHBondContact O-N 3.21Å; K40-I43 PolarHBondContact O-N 3.39Å; K40-I43 VanDerWaalsContact O-N 3.16Å; I43-M45 PolarHBondContact O-N 3.1Å; I43-L46 PolarHBondContact O-N 3.4Å; I43-Y47 WeakPolarHBondContact O-CB 3.26Å; I43-Y47 PolarHBondContact O-N 3.41Å; I43-L72 HydrophobicContact CG1-CB 4.2Å; I43-L73 HydrophobicContact CD1-CD2 4.05Å; I43-L73 HydrophobicContact CD1-CG 4.46Å; I43-L73 HydrophobicContact CG2-CD1 4.38Å; I43-L73 HydrophobicContact CG2-CD2 3.85Å; I43-L73 HydrophobicContact CG2-CG 3.95Å; I43-Y76 HydrophobicContact CD1-CD2 3.99Å; I43-Y76 HydrophobicContact CD1-CG 3.89Å
44	D	85.1	Confident	81.7	Confident	45 Å²	45	54.8 Å²	54.8	24%	0.241	29%	0.286	C	S	.	.	H	α-helix	trans	-64.8	-40	-178.9	-172	51	0	0	0	111.9	K40 Y47 R48	K40-D44 WeakPolarHBondContact O-CB 3.16Å; K40-D44 PolarHBondContact O-N 3.46Å; D44-Y47 PolarHBondContact O-N 3.07Å; D44-R48 WeakPolarHBondContact O-CG 3.38Å; D44-R48 PolarHBondContact O-N 3.49Å; D44-R48 IonicContact OD1-CZ 3.7Å; D44-R48 IonicContact OD1-NH2 3.97Å; D44-R48 IonicContact OD2-CZ 3.24Å; D44-R48 IonicContact OD2-NH1 3.57Å; D44-R48 PolarHBondContact OD2-NH1 3.32Å; D44-R48 IonicContact OD2-NH2 2.71Å; D44-R48 PolarHBondContact OD2-NH2 3.01Å
45	M	83.8	Confident	82.1	Confident	102 Å²	102	58.8 Å²	58.8	50%	0.502	28%	0.284	S	S	.	.	H	α-helix	trans	-61.6	-48	173.6	-179.9	-175.7	60.2	0	0	112.1	G41 T42 I43 Y47 R48 E49	G41-M45 WeakPolarHBondContact O-CB 3.46Å; G41-M45 PolarHBondContact O-N 3.25Å; T42-M45 HydrophobicContact CG2-CE 4.44Å; I43-M45 PolarHBondContact O-N 3.1Å; M45-Y47 VanDerWaalsContact C-N 3.32Å; M45-Y47 PolarHBondContact O-N 3.31Å; M45-R48 PolarHBondContact O-N 3.45Å; M45-E49 PolarHBondContact O-N 2.92Å; M45-E49 VanDerWaalsContact O-N 3.11Å
46	L	88.7	Confident	82.6	Confident	23 Å²	23	57.8 Å²	57.8	12%	0.12	28%	0.275	C	S	.	.	H	α-helix	trans	-65.8	-34.8	178.5	-78.4	167.4	0	0	0	112.6	T42 I43 E49 A50 Y65 V69 L72	T42-L46 HydrophobicContact CG2-CD1 4.33Å; T42-L46 PolarHBondContact O-N 3.04Å; T42-L46 VanDerWaalsContact O-N 3.12Å; I43-L46 PolarHBondContact O-N 3.4Å; L46-E49 PolarHBondContact O-N 3.27Å; L46-A50 PolarHBondContact O-N 2.93Å; L46-Y65 HydrophobicContact CD2-CD1 3.79Å; L46-Y65 HydrophobicContact CD2-CE1 3.92Å; L46-V69 HydrophobicContact CB-CG2 3.68Å; L46-L72 HydrophobicContact CD1-CD1 3.11Å
47	Y	90	Very high	82.8	Confident	20 Å²	20	56.1 Å²	56.1	8%	0.078	27%	0.269	C	S	.	.	H	α-helix	trans	-68.1	-38.7	176	-176	-115.9	0	0	0	112.4	I43 D44 M45 E49 A50 L51 Y66 V69 I101 M104 S105	I43-Y47 WeakPolarHBondContact O-CB 3.26Å; I43-Y47 PolarHBondContact O-N 3.41Å; D44-Y47 PolarHBondContact O-N 3.07Å; M45-Y47 VanDerWaalsContact C-N 3.32Å; M45-Y47 PolarHBondContact O-N 3.31Å; Y47-E49 VanDerWaalsContact C-N 3.33Å; Y47-E49 PolarHBondContact O-N 3.22Å; Y47-A50 WeakPolarHBondContact O-CB 3.36Å; Y47-A50 PolarHBondContact O-N 3.45Å; Y47-L51 HydrophobicContact CD1-CD1 4.04Å; Y47-L51 HydrophobicContact CE1-CD1 3.69Å; Y47-L51 HydrophobicContact CE1-CG 4.34Å; Y47-L51 WeakPolarHBondContact O-CG 3Å; Y47-L51 PolarHBondContact O-N 3.46Å; Y47-Y66 HydrophobicContact CD2-CE1 4.24Å; Y47-Y66 HydrophobicContact CE2-CD1 4.47Å; Y47-Y66 AromaticContact CE2-CE1 3.9Å; Y47-Y66 HydrophobicContact CE2-CE1 3.9Å; Y47-V69 HydrophobicContact CD2-CG1 4.3Å; Y47-I101 HydrophobicContact CD1-CD1 4.38Å; Y47-I101 HydrophobicContact CD1-CG1 4.15Å; Y47-I101 HydrophobicContact CD1-CG2 4.03Å; Y47-I101 HydrophobicContact CD2-CG2 3.7Å; Y47-I101 HydrophobicContact CE1-CG1 4.06Å; Y47-I101 HydrophobicContact CE1-CG2 4.31Å; Y47-I101 HydrophobicContact CE2-CG2 3.99Å; Y47-I101 HydrophobicContact CG-CG2 3.71Å; Y47-M104 WeakPolarHBondContact OH-CB 3.33Å; Y47-M104 WeakPolarHBondContact OH-CE 3.43Å; Y47-M104 PolarHBondContact OH-SD 2.86Å; Y47-S105 WeakPolarHBondContact CD2-OG 3.43Å; Y47-S105 VanDerWaalsContact CE2-OG 3.29Å; Y47-S105 WeakPolarHBondContact CE2-OG 3.41Å
48	R	87.8	Confident	83.4	Confident	153 Å²	153	51.6 Å²	51.6	58%	0.577	25%	0.249	S	C	*	.	H	α-helix	trans	-62.3	-40.5	172.6	-74.2	-169.5	-173.1	99.5	12.4	112.2	D44 M45 L51 K52	D44-R48 WeakPolarHBondContact O-CG 3.38Å; D44-R48 PolarHBondContact O-N 3.49Å; D44-R48 IonicContact OD1-CZ 3.7Å; D44-R48 IonicContact OD1-NH2 3.97Å; D44-R48 IonicContact OD2-CZ 3.24Å; D44-R48 IonicContact OD2-NH1 3.57Å; D44-R48 PolarHBondContact OD2-NH1 3.32Å; D44-R48 IonicContact OD2-NH2 2.71Å; D44-R48 PolarHBondContact OD2-NH2 3.01Å; M45-R48 PolarHBondContact O-N 3.45Å; R48-L51 PolarHBondContact O-N 3.39Å; R48-K52 PolarHBondContact O-N 3.43Å
49	E	87.9	Confident	84	Confident	20 Å²	20	43.9 Å²	43.9	9%	0.093	22%	0.221	C	C	.	.	H	α-helix	trans	-67.7	-38.8	176.8	-168	58.2	-156.7	0	0	111.4	M45 L46 Y47 L51 K52 Q53 Y65	M45-E49 PolarHBondContact O-N 2.92Å; M45-E49 VanDerWaalsContact O-N 3.11Å; L46-E49 PolarHBondContact O-N 3.27Å; Y47-E49 VanDerWaalsContact C-N 3.33Å; Y47-E49 PolarHBondContact O-N 3.22Å; E49-L51 VanDerWaalsContact C-N 3.34Å; E49-L51 PolarHBondContact O-N 2.84Å; E49-K52 WeakPolarHBondContact O-CB 3.32Å; E49-K52 PolarHBondContact O-N 2.9Å; E49-K52 IonicContact OE1-NZ 3.47Å; E49-K52 WeakPolarHBondContact OE2-CD 3.33Å; E49-K52 IonicContact OE2-NZ 2.66Å; E49-K52 PolarHBondContact OE2-NZ 3.22Å; E49-K52 VanDerWaalsContact OE2-NZ 3.12Å; E49-Q53 WeakPolarHBondContact O-CG 3.17Å; E49-Q53 PolarHBondContact O-N 3.16Å; E49-Q53 PolarHBondContact OE1-NE2 3.02Å; E49-Y65 HydrophobicContact CB-CD1 4.22Å; E49-Y65 HydrophobicContact CB-CE1 4.16Å; E49-Y65 HydrophobicContact CG-CD1 4.08Å; E49-Y65 HydrophobicContact CG-CD2 4.21Å; E49-Y65 HydrophobicContact CG-CE1 3.66Å; E49-Y65 HydrophobicContact CG-CE2 3.81Å; E49-Y65 HydrophobicContact CG-CG 4.35Å
50	A	88.9	Confident	84.6	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-56.2	-47.5	172.7	0	0	0	0	0	112	L46 Y47 K52 Q53 D54 Y66	L46-A50 PolarHBondContact O-N 2.93Å; Y47-A50 WeakPolarHBondContact O-CB 3.36Å; Y47-A50 PolarHBondContact O-N 3.45Å; A50-K52 VanDerWaalsContact C-N 3.32Å; A50-K52 PolarHBondContact O-N 2.66Å; A50-Q53 PolarHBondContact O-N 3Å; A50-D54 WeakPolarHBondContact O-CB 3.22Å; A50-D54 PolarHBondContact O-N 2.93Å; A50-Y66 HydrophobicContact CB-CD1 3.62Å; A50-Y66 HydrophobicContact CB-CD2 4.18Å; A50-Y66 HydrophobicContact CB-CE1 3.59Å; A50-Y66 HydrophobicContact CB-CE2 4.13Å; A50-Y66 HydrophobicContact CB-CG 3.93Å
51	L	87.2	Confident	85.1	Confident	57 Å²	57	43.3 Å²	43.3	30%	0.298	22%	0.22	S	C	.	.	H	α-helix	trans	-61.8	-38.4	177.4	-70.7	168.7	0	0	0	112.5	Y47 R48 E49 D54 Q55 Y66	Y47-L51 HydrophobicContact CD1-CD1 4.04Å; Y47-L51 HydrophobicContact CE1-CD1 3.69Å; Y47-L51 HydrophobicContact CE1-CG 4.34Å; Y47-L51 WeakPolarHBondContact O-CG 3Å; Y47-L51 PolarHBondContact O-N 3.46Å; R48-L51 PolarHBondContact O-N 3.39Å; E49-L51 VanDerWaalsContact C-N 3.34Å; E49-L51 PolarHBondContact O-N 2.84Å; L51-D54 PolarHBondContact O-N 2.91Å; L51-Q55 VanDerWaalsContact O-CG 3.3Å; L51-Q55 WeakPolarHBondContact O-CG 3.3Å; L51-Q55 PolarHBondContact O-N 2.78Å; L51-Y66 WeakPolarHBondContact CD2-OH 3.41Å
52	K	86.1	Confident	85.6	Confident	73 Å²	73	41.3 Å²	41.3	32%	0.317	20%	0.2	S	C	.	.	H	α-helix	trans	-68.6	-42.1	179.1	-175.3	-169.5	-179.8	-173.4	0	111.7	R48 E49 A50 D54 Q55 I56 E305	R48-K52 PolarHBondContact O-N 3.43Å; E49-K52 WeakPolarHBondContact O-CB 3.32Å; E49-K52 PolarHBondContact O-N 2.9Å; E49-K52 IonicContact OE1-NZ 3.47Å; E49-K52 WeakPolarHBondContact OE2-CD 3.33Å; E49-K52 IonicContact OE2-NZ 2.66Å; E49-K52 PolarHBondContact OE2-NZ 3.22Å; E49-K52 VanDerWaalsContact OE2-NZ 3.12Å; A50-K52 VanDerWaalsContact C-N 3.32Å; A50-K52 PolarHBondContact O-N 2.66Å; K52-D54 VanDerWaalsContact C-N 3.33Å; K52-Q55 WeakPolarHBondContact O-CB 3.43Å; K52-Q55 PolarHBondContact O-N 2.89Å; K52-I56 HydrophobicContact CG-CD1 4.2Å; K52-I56 WeakPolarHBondContact O-CD1 3.3Å; K52-I56 VanDerWaalsContact O-CG1 3.26Å; K52-I56 WeakPolarHBondContact O-CG1 3.21Å; K52-I56 PolarHBondContact O-N 2.84Å; K52-E305 IonicContact NZ-OE2 2.81Å; K52-E305 PolarHBondContact NZ-OE2 2.94Å
53	Q	84.6	Confident	86.1	Confident	4 Å²	4	40 Å²	40	2%	0.019	19%	0.191	C	C	.	.	H	α-helix	trans	-67	-36.7	175.8	-61.6	-58.8	-28.4	0	0	111.5	E49 A50 Q55 I56 G57 D58 T61 A62 Y65	E49-Q53 WeakPolarHBondContact O-CG 3.17Å; E49-Q53 PolarHBondContact O-N 3.16Å; E49-Q53 PolarHBondContact OE1-NE2 3.02Å; A50-Q53 PolarHBondContact O-N 3Å; Q53-Q55 VanDerWaalsContact C-N 3.31Å; Q53-Q55 PolarHBondContact O-N 3.4Å; Q53-I56 PolarHBondContact O-N 3.42Å; Q53-G57 PolarHBondContact O-N 2.84Å; Q53-G57 VanDerWaalsContact O-N 3.17Å; Q53-D58 PolarHBondContact O-N 2.87Å; Q53-T61 HydrophobicContact CB-CG2 4.38Å; Q53-T61 HydrophobicContact CG-CG2 3.81Å; Q53-A62 HydrophobicContact CB-CB 4.02Å; Q53-Y65 HydrophobicContact CG-CD2 3.85Å; Q53-Y65 HydrophobicContact CG-CE2 3.93Å
54	D	83	Confident	86.3	Confident	20 Å²	20	40.4 Å²	40.4	11%	0.107	19%	0.193	C	C	.	.	H	α-helix	trans	-63.7	-36.7	172.9	-163.4	56.1	0	0	0	112.3	R6 A50 L51 K52 G57 A62 Y66 R108	R6-D54 IonicContact NH1-OD2 3.34Å; R6-D54 PolarHBondContact NH1-OD2 3.33Å; A50-D54 WeakPolarHBondContact O-CB 3.22Å; A50-D54 PolarHBondContact O-N 2.93Å; L51-D54 PolarHBondContact O-N 2.91Å; K52-D54 VanDerWaalsContact C-N 3.33Å; D54-G57 PolarHBondContact O-N 3.41Å; D54-A62 HydrophobicContact CB-CB 4.26Å; D54-Y66 HydrophobicContact CB-CE2 4.19Å; D54-R108 VanDerWaalsContact CG-NE 3.3Å; D54-R108 IonicContact OD1-CZ 2.82Å; D54-R108 VanDerWaalsContact OD1-CZ 3.24Å; D54-R108 IonicContact OD1-NE 3.77Å; D54-R108 PolarHBondContact OD1-NE 2.74Å; D54-R108 IonicContact OD1-NH2 2.78Å; D54-R108 PolarHBondContact OD1-NH2 2.88Å; D54-R108 IonicContact OD2-CZ 3.83Å; D54-R108 IonicContact OD2-NE 2.72Å; D54-R108 PolarHBondContact OD2-NE 3.1Å; D54-R108 IonicContact OD2-NH2 3.15Å
55	Q	76.7	Confident	86.6	Confident	162 Å²	162	40.1 Å²	40.1	76%	0.757	19%	0.189	S	C	*	.	H	α-helix	trans	-68.1	-34.3	173	-75.4	173.3	11.6	0	0	113	L51 K52 Q53 G57	L51-Q55 VanDerWaalsContact O-CG 3.3Å; L51-Q55 WeakPolarHBondContact O-CG 3.3Å; L51-Q55 PolarHBondContact O-N 2.78Å; K52-Q55 WeakPolarHBondContact O-CB 3.43Å; K52-Q55 PolarHBondContact O-N 2.89Å; Q53-Q55 VanDerWaalsContact C-N 3.31Å; Q53-Q55 PolarHBondContact O-N 3.4Å; Q55-G57 PolarHBondContact O-N 3.37Å
56	I	81.4	Confident	87.1	Confident	56 Å²	56	35.5 Å²	35.5	29%	0.287	17%	0.166	S	C	.	.	H	α-helix	trans	-71.7	-18.2	177.3	-70.1	164	0	0	0	111.6	K9 K52 Q53 D58	K9-I56 VanDerWaalsContact NZ-CG2 3.27Å; K52-I56 HydrophobicContact CG-CD1 4.2Å; K52-I56 WeakPolarHBondContact O-CD1 3.3Å; K52-I56 VanDerWaalsContact O-CG1 3.26Å; K52-I56 WeakPolarHBondContact O-CG1 3.21Å; K52-I56 PolarHBondContact O-N 2.84Å; Q53-I56 PolarHBondContact O-N 3.42Å; I56-D58 VanDerWaalsContact C-N 3.35Å; I56-D58 HydrophobicContact CG2-CB 4.31Å
57	G	78.1	Confident	87.2	Confident	13 Å²	13	38.1 Å²	38.1	13%	0.134	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.2	18.1	-176.4	0	0	0	0	0	113.7	K9 Q53 D54 Q55 E59	K9-G57 PolarHBondContact N-O 3.21Å; Q53-G57 PolarHBondContact O-N 2.84Å; Q53-G57 VanDerWaalsContact O-N 3.17Å; D54-G57 PolarHBondContact O-N 3.41Å; Q55-G57 PolarHBondContact O-N 3.37Å; G57-E59 PolarHBondContact O-N 3.49Å
58	D	85.4	Confident	87.2	Confident	29 Å²	29	39 Å²	39	16%	0.155	18%	0.178	C	C	.	.			trans	-88.1	86.5	174.1	-167.7	-40.3	0	0	0	109.2	K9 Q53 I56 E60 T61 A62	K9-D58 HydrophobicContact CD-CB 4.29Å; Q53-D58 PolarHBondContact O-N 2.87Å; I56-D58 VanDerWaalsContact C-N 3.35Å; I56-D58 HydrophobicContact CG2-CB 4.31Å; D58-E60 PolarHBondContact O-N 3.16Å; D58-T61 PolarHBondContact O-N 3.39Å; D58-T61 WeakPolarHBondContact OD1-CB 3.33Å; D58-T61 PolarHBondContact OD1-N 2.91Å; D58-T61 PolarHBondContact OD1-OG1 3.17Å; D58-T61 PolarHBondContact OD2-OG1 2.86Å; D58-A62 WeakPolarHBondContact O-CB 3.37Å; D58-A62 PolarHBondContact O-N 3.3Å
59	E	87.1	Confident	87.2	Confident	22 Å²	22	31.8 Å²	31.8	10%	0.103	15%	0.15	C	C	.	.	H	α-helix	trans	-64.7	-38.2	-173	-65.6	-176	-177.2	0	0	112.6	S8 G57 Y63 L112 S115 L116	S8-E59 WeakPolarHBondContact CB-OE1 3.48Å; S8-E59 PolarHBondContact OG-OE1 3.04Å; G57-E59 PolarHBondContact O-N 3.49Å; E59-Y63 VanDerWaalsContact O-CB 3.31Å; E59-Y63 WeakPolarHBondContact O-CB 3.35Å; E59-Y63 PolarHBondContact O-N 3.49Å; E59-L112 HydrophobicContact CB-CD2 3.85Å; E59-L112 HydrophobicContact CG-CD2 3.73Å; E59-S115 PolarHBondContact OE2-OG 2.8Å; E59-L116 HydrophobicContact CB-CD1 4.34Å; E59-L116 HydrophobicContact CB-CD2 3.77Å; E59-L116 HydrophobicContact CB-CG 4.06Å
60	E	88.9	Confident	87.2	Confident	7 Å²	7	31.7 Å²	31.7	3%	0.033	15%	0.152	C	C	.	.	H	α-helix	trans	-62.4	-50.2	177.6	-66.9	-178.9	136.4	0	0	110.7	L11 L12 L13 F14 L20 D58 Y63 I64 L116 Y120	L11-E60 HydrophobicContact CD2-CG 3.98Å; L12-E60 PolarHBondContact N-OE2 3.41Å; L12-E60 VanDerWaalsContact N-OE2 3.1Å; L13-E60 WeakPolarHBondContact CB-OE2 3.38Å; L13-E60 HydrophobicContact CD1-CB 4.15Å; L13-E60 PolarHBondContact N-OE2 3.25Å; F14-E60 PolarHBondContact N-OE1 2.94Å; L20-E60 HydrophobicContact CD1-CB 4.2Å; D58-E60 PolarHBondContact O-N 3.16Å; E60-Y63 PolarHBondContact O-N 2.97Å; E60-I64 WeakPolarHBondContact O-CG1 3.21Å; E60-I64 PolarHBondContact O-N 3.38Å; E60-I64 VanDerWaalsContact O-N 3.15Å; E60-L116 HydrophobicContact CG-CD2 3.8Å; E60-Y120 PolarHBondContact OE1-OH 2.87Å
61	T	89.1	Confident	87.1	Confident	23 Å²	23	33.1 Å²	33.1	14%	0.141	16%	0.162	C	C	.	.	H	α-helix	trans	-69.9	-41.1	-178.5	-53.6	0	0	0	0	111.3	L13 Q53 D58 Y63 I64 Y65	L13-T61 WeakPolarHBondContact CD1-OG1 3Å; Q53-T61 HydrophobicContact CB-CG2 4.38Å; Q53-T61 HydrophobicContact CG-CG2 3.81Å; D58-T61 PolarHBondContact O-N 3.39Å; D58-T61 WeakPolarHBondContact OD1-CB 3.33Å; D58-T61 PolarHBondContact OD1-N 2.91Å; D58-T61 PolarHBondContact OD1-OG1 3.17Å; D58-T61 PolarHBondContact OD2-OG1 2.86Å; T61-Y63 VanDerWaalsContact C-N 3.33Å; T61-Y63 PolarHBondContact O-N 3.04Å; T61-I64 PolarHBondContact O-N 2.77Å; T61-Y65 HydrophobicContact CG2-CD2 3.78Å; T61-Y65 HydrophobicContact CG2-CE2 3.51Å; T61-Y65 VanDerWaalsContact O-CD2 3.26Å; T61-Y65 WeakPolarHBondContact O-CD2 3.25Å; T61-Y65 PolarHBondContact O-N 3.48Å; T61-Y65 VanDerWaalsContact O-N 3.07Å
62	A	89.8	Confident	87	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-59	-44.5	175.2	0	0	0	0	0	111.3	Q53 D54 D58 I64 Y65 Y66 L112	Q53-A62 HydrophobicContact CB-CB 4.02Å; D54-A62 HydrophobicContact CB-CB 4.26Å; D58-A62 WeakPolarHBondContact O-CB 3.37Å; D58-A62 PolarHBondContact O-N 3.3Å; A62-I64 VanDerWaalsContact C-N 3.35Å; A62-I64 PolarHBondContact O-N 3.46Å; A62-Y65 PolarHBondContact O-N 3.23Å; A62-Y66 HydrophobicContact CB-CD2 4.47Å; A62-Y66 HydrophobicContact CB-CE2 4.4Å; A62-Y66 WeakPolarHBondContact O-CD2 3.39Å; A62-Y66 PolarHBondContact O-N 3.15Å; A62-L112 HydrophobicContact CB-CD1 3.71Å
63	Y	92.2	Very high	86.9	Confident	10 Å²	10	27.5 Å²	27.5	4%	0.039	14%	0.136	C	C	.	.	H	α-helix	trans	-57.2	-46.2	175	175.1	-97.5	0	0	0	111.8	L20 Q21 A24 E59 E60 T61 Y65 Y66 Y67 A109 L112 L113	L20-Y63 HydrophobicContact CD1-CD1 4.19Å; L20-Y63 HydrophobicContact CD2-CD1 3.73Å; L20-Y63 HydrophobicContact CD2-CE1 4.28Å; L20-Y63 HydrophobicContact CD2-CG 4.3Å; L20-Y63 HydrophobicContact CG-CD1 3.76Å; L20-Y63 HydrophobicContact CG-CE1 4.13Å; Q21-Y63 HydrophobicContact CG-CE1 4.2Å; A24-Y63 HydrophobicContact CB-CE1 4.14Å; E59-Y63 VanDerWaalsContact O-CB 3.31Å; E59-Y63 WeakPolarHBondContact O-CB 3.35Å; E59-Y63 PolarHBondContact O-N 3.49Å; E60-Y63 PolarHBondContact O-N 2.97Å; T61-Y63 VanDerWaalsContact C-N 3.33Å; T61-Y63 PolarHBondContact O-N 3.04Å; Y63-Y65 PolarHBondContact O-N 3.49Å; Y63-Y66 PolarHBondContact O-N 3.05Å; Y63-Y67 VanDerWaalsContact O-CB 3.29Å; Y63-Y67 WeakPolarHBondContact O-CB 3.37Å; Y63-Y67 PolarHBondContact O-N 3.48Å; Y63-A109 HydrophobicContact CD2-CB 4.3Å; Y63-A109 WeakPolarHBondContact CD2-O 3.36Å; Y63-A109 HydrophobicContact CE2-CB 4.34Å; Y63-A109 WeakPolarHBondContact CE2-O 3.46Å; Y63-L112 HydrophobicContact CD2-CB 4.49Å; Y63-L113 HydrophobicContact CD2-CB 4.28Å; Y63-L113 HydrophobicContact CE2-CB 3.92Å; Y63-L113 HydrophobicContact CE2-CD1 3.96Å; Y63-L113 HydrophobicContact CE2-CD2 4.44Å; Y63-L113 HydrophobicContact CE2-CG 4.34Å
64	I	90.6	Very high	86.7	Confident	9 Å²	9	30.3 Å²	30.3	5%	0.046	16%	0.156	C	C	.	.	H	α-helix	trans	-58.1	-48.2	178.1	-68.8	163.1	0	0	0	111.1	F14 L20 Y23 A24 E60 T61 A62 Y67 R68	F14-I64 HydrophobicContact CE2-CD1 3.83Å; F14-I64 HydrophobicContact CZ-CD1 4.18Å; L20-I64 HydrophobicContact CD1-CD1 3.76Å; L20-I64 HydrophobicContact CD1-CG1 3.71Å; Y23-I64 HydrophobicContact CD1-CD1 3.74Å; Y23-I64 HydrophobicContact CD1-CG1 4.21Å; Y23-I64 HydrophobicContact CD1-CG2 4.47Å; Y23-I64 HydrophobicContact CE1-CD1 3.91Å; Y23-I64 HydrophobicContact CE1-CG2 4.3Å; A24-I64 HydrophobicContact CB-CG1 4.33Å; E60-I64 WeakPolarHBondContact O-CG1 3.21Å; E60-I64 PolarHBondContact O-N 3.38Å; E60-I64 VanDerWaalsContact O-N 3.15Å; T61-I64 PolarHBondContact O-N 2.77Å; A62-I64 VanDerWaalsContact C-N 3.35Å; A62-I64 PolarHBondContact O-N 3.46Å; I64-Y67 PolarHBondContact O-N 2.81Å; I64-R68 HydrophobicContact CG2-CG 4.49Å; I64-R68 WeakPolarHBondContact O-CB 3.41Å; I64-R68 VanDerWaalsContact O-CG 3.23Å; I64-R68 WeakPolarHBondContact O-CG 3.38Å; I64-R68 PolarHBondContact O-N 3.36Å
65	Y	92.4	Very high	86.6	Confident	39 Å²	39	31.8 Å²	31.8	15%	0.153	16%	0.162	C	C	.	.	H	α-helix	trans	-66.9	-44.4	-179.1	-78.2	-73.5	0	0	0	112.3	L46 E49 Q53 T61 A62 Y63 Y67 R68 V69	L46-Y65 HydrophobicContact CD2-CD1 3.79Å; L46-Y65 HydrophobicContact CD2-CE1 3.92Å; E49-Y65 HydrophobicContact CB-CD1 4.22Å; E49-Y65 HydrophobicContact CB-CE1 4.16Å; E49-Y65 HydrophobicContact CG-CD1 4.08Å; E49-Y65 HydrophobicContact CG-CD2 4.21Å; E49-Y65 HydrophobicContact CG-CE1 3.66Å; E49-Y65 HydrophobicContact CG-CE2 3.81Å; E49-Y65 HydrophobicContact CG-CG 4.35Å; Q53-Y65 HydrophobicContact CG-CD2 3.85Å; Q53-Y65 HydrophobicContact CG-CE2 3.93Å; T61-Y65 HydrophobicContact CG2-CD2 3.78Å; T61-Y65 HydrophobicContact CG2-CE2 3.51Å; T61-Y65 VanDerWaalsContact O-CD2 3.26Å; T61-Y65 WeakPolarHBondContact O-CD2 3.25Å; T61-Y65 PolarHBondContact O-N 3.48Å; T61-Y65 VanDerWaalsContact O-N 3.07Å; A62-Y65 PolarHBondContact O-N 3.23Å; Y63-Y65 PolarHBondContact O-N 3.49Å; Y65-Y67 VanDerWaalsContact C-N 3.34Å; Y65-Y67 PolarHBondContact O-N 3.47Å; Y65-R68 PolarHBondContact O-N 2.88Å; Y65-V69 VanDerWaalsContact O-CG2 3.31Å; Y65-V69 WeakPolarHBondContact O-CG2 3.27Å; Y65-V69 PolarHBondContact O-N 3.34Å
66	Y	92.7	Very high	86.7	Confident	6 Å²	6	24.4 Å²	24.4	2%	0.024	13%	0.127	C	C	.	.	H	α-helix	trans	-61.3	-41.7	175.8	-75.6	-60	0	0	0	112.1	Y47 A50 L51 D54 A62 Y63 R68 V69 C70 R108 L112	Y47-Y66 HydrophobicContact CD2-CE1 4.24Å; Y47-Y66 HydrophobicContact CE2-CD1 4.47Å; Y47-Y66 AromaticContact CE2-CE1 3.9Å; Y47-Y66 HydrophobicContact CE2-CE1 3.9Å; A50-Y66 HydrophobicContact CB-CD1 3.62Å; A50-Y66 HydrophobicContact CB-CD2 4.18Å; A50-Y66 HydrophobicContact CB-CE1 3.59Å; A50-Y66 HydrophobicContact CB-CE2 4.13Å; A50-Y66 HydrophobicContact CB-CG 3.93Å; L51-Y66 WeakPolarHBondContact CD2-OH 3.41Å; D54-Y66 HydrophobicContact CB-CE2 4.19Å; A62-Y66 HydrophobicContact CB-CD2 4.47Å; A62-Y66 HydrophobicContact CB-CE2 4.4Å; A62-Y66 WeakPolarHBondContact O-CD2 3.39Å; A62-Y66 PolarHBondContact O-N 3.15Å; Y63-Y66 PolarHBondContact O-N 3.05Å; Y66-R68 PolarHBondContact O-N 2.89Å; Y66-V69 PolarHBondContact O-N 3.06Å; Y66-C70 PolarHBondContact O-N 3.03Å; Y66-C70 PolarHBondContact O-SG 3.1Å; Y66-R108 HydrophobicContact CD2-CB 4.25Å; Y66-R108 HydrophobicContact CD2-CG 3.99Å; Y66-R108 HydrophobicContact CE1-CB 4.39Å; Y66-R108 HydrophobicContact CE2-CB 3.99Å; Y66-R108 HydrophobicContact CE2-CG 3.41Å; Y66-R108 VanDerWaalsContact CE2-CG 3.41Å; Y66-L112 HydrophobicContact CD2-CD1 3.85Å; Y66-L112 HydrophobicContact CE2-CD1 4.11Å
67	Y	90.9	Very high	86.5	Confident	78 Å²	78	29.5 Å²	29.5	31%	0.306	14%	0.143	S	C	.	.	H	α-helix	trans	-60.9	-43.4	175.5	-173.4	-81.6	0	0	0	112	A24 Y63 I64 Y65 C70 S71	A24-Y67 HydrophobicContact CB-CD1 3.78Å; A24-Y67 HydrophobicContact CB-CE1 4.4Å; A24-Y67 HydrophobicContact CB-CG 3.88Å; A24-Y67 WeakPolarHBondContact O-CD1 3.44Å; Y63-Y67 VanDerWaalsContact O-CB 3.29Å; Y63-Y67 WeakPolarHBondContact O-CB 3.37Å; Y63-Y67 PolarHBondContact O-N 3.48Å; I64-Y67 PolarHBondContact O-N 2.81Å; Y65-Y67 VanDerWaalsContact C-N 3.34Å; Y65-Y67 PolarHBondContact O-N 3.47Å; Y67-C70 PolarHBondContact O-N 3.21Å; Y67-S71 WeakPolarHBondContact CE1-OG 3.23Å; Y67-S71 WeakPolarHBondContact O-CB 3.2Å; Y67-S71 PolarHBondContact O-N 2.82Å; Y67-S71 PolarHBondContact O-OG 3.47Å
68	R	90	Very high	86.5	Confident	39 Å²	39	36.5 Å²	36.5	15%	0.147	17%	0.17	C	C	.	.	H	α-helix	trans	-64.6	-40.3	176.9	-72.4	175.4	179.6	176.8	1.6	112	F27 I64 Y65 Y66 S71 L72	F27-R68 HydrophobicContact CB-CG 3.84Å; F27-R68 HydrophobicContact CD1-CB 4.17Å; F27-R68 HydrophobicContact CD1-CG 3.88Å; F27-R68 HydrophobicContact CD2-CG 3.96Å; F27-R68 HydrophobicContact CE1-CB 4.36Å; F27-R68 HydrophobicContact CE1-CG 4.42Å; F27-R68 HydrophobicContact CE2-CG 4.49Å; F27-R68 HydrophobicContact CG-CB 4.39Å; F27-R68 HydrophobicContact CG-CG 3.61Å; I64-R68 HydrophobicContact CG2-CG 4.49Å; I64-R68 WeakPolarHBondContact O-CB 3.41Å; I64-R68 VanDerWaalsContact O-CG 3.23Å; I64-R68 WeakPolarHBondContact O-CG 3.38Å; I64-R68 PolarHBondContact O-N 3.36Å; Y65-R68 PolarHBondContact O-N 2.88Å; Y66-R68 PolarHBondContact O-N 2.89Å; R68-S71 PolarHBondContact O-N 3.04Å; R68-L72 WeakPolarHBondContact O-CB 3.25Å; R68-L72 WeakPolarHBondContact O-CG 3.42Å; R68-L72 PolarHBondContact O-N 2.94Å
69	V	89.3	Confident	86	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-60	-47.2	173.9	170.7	0	0	0	0	110.6	L46 Y47 Y65 Y66 S71 L72 L73 I101	L46-V69 HydrophobicContact CB-CG2 3.68Å; Y47-V69 HydrophobicContact CD2-CG1 4.3Å; Y65-V69 VanDerWaalsContact O-CG2 3.31Å; Y65-V69 WeakPolarHBondContact O-CG2 3.27Å; Y65-V69 PolarHBondContact O-N 3.34Å; Y66-V69 PolarHBondContact O-N 3.06Å; V69-S71 VanDerWaalsContact C-N 3.33Å; V69-S71 PolarHBondContact O-N 2.95Å; V69-L72 PolarHBondContact O-N 2.97Å; V69-L73 HydrophobicContact CG1-CD1 3.66Å; V69-L73 HydrophobicContact CG1-CG 4.43Å; V69-L73 WeakPolarHBondContact O-CB 3.39Å; V69-L73 WeakPolarHBondContact O-CG 3.41Å; V69-L73 PolarHBondContact O-N 2.89Å; V69-I101 HydrophobicContact CG1-CG2 4.14Å
70	C	87.5	Confident	85.5	Confident	19 Å²	19	39.8 Å²	39.8	13%	0.128	18%	0.182	C	C	.	.	H	α-helix	trans	-60.7	-40.9	176.2	-68.2	0	0	0	0	112.7	Y66 Y67 L73 S74 L102 S105 V106	Y66-C70 PolarHBondContact O-N 3.03Å; Y66-C70 PolarHBondContact O-SG 3.1Å; Y67-C70 PolarHBondContact O-N 3.21Å; C70-L73 PolarHBondContact O-N 3.41Å; C70-S74 WeakPolarHBondContact O-CB 3.37Å; C70-S74 PolarHBondContact O-N 3.1Å; C70-S74 PolarHBondContact O-OG 3.49Å; C70-L102 HydrophobicContact CB-CD1 4.5Å; C70-S105 VanDerWaalsContact SG-CB 3.56Å; C70-V106 VanDerWaalsContact SG-CG2 3.52Å
71	S	85.8	Confident	84.3	Confident	30 Å²	30	43.2 Å²	43.2	21%	0.21	20%	0.198	C	C	.	.	H	α-helix	trans	-65.7	-46.4	178.4	-59.3	0	0	0	0	111.6	Y67 R68 V69 S74 E75	Y67-S71 WeakPolarHBondContact CE1-OG 3.23Å; Y67-S71 WeakPolarHBondContact O-CB 3.2Å; Y67-S71 PolarHBondContact O-N 2.82Å; Y67-S71 PolarHBondContact O-OG 3.47Å; R68-S71 PolarHBondContact O-N 3.04Å; V69-S71 VanDerWaalsContact C-N 3.33Å; V69-S71 PolarHBondContact O-N 2.95Å; S71-S74 WeakPolarHBondContact O-CB 3.43Å; S71-S74 PolarHBondContact O-N 3.26Å; S71-E75 PolarHBondContact O-N 3.38Å
72	L	85.2	Confident	82.8	Confident	2 Å²	2	46 Å²	46	1%	0.01	22%	0.224	C	C	.	.	H	α-helix	trans	-65.9	-39	176.2	-74.3	172.6	0	0	0	112.7	F27 C29 L32 I43 L46 R68 V69 S74 E75 Y76	F27-L72 HydrophobicContact CE1-CD1 3.91Å; F27-L72 HydrophobicContact CE1-CD2 3.97Å; F27-L72 HydrophobicContact CE1-CG 3.86Å; F27-L72 HydrophobicContact CZ-CD1 4.32Å; C29-L72 HydrophobicContact CB-CD2 4.27Å; L32-L72 HydrophobicContact CD1-CD2 3.77Å; L32-L72 HydrophobicContact CG-CD2 3.78Å; I43-L72 HydrophobicContact CG1-CB 4.2Å; L46-L72 HydrophobicContact CD1-CD1 3.11Å; R68-L72 WeakPolarHBondContact O-CB 3.25Å; R68-L72 WeakPolarHBondContact O-CG 3.42Å; R68-L72 PolarHBondContact O-N 2.94Å; V69-L72 PolarHBondContact O-N 2.97Å; L72-S74 VanDerWaalsContact C-N 3.29Å; L72-S74 PolarHBondContact O-N 3.49Å; L72-E75 PolarHBondContact O-N 2.92Å; L72-Y76 WeakPolarHBondContact O-CB 3.22Å; L72-Y76 PolarHBondContact O-N 3.15Å
73	L	84.6	Confident	81.2	Confident	10 Å²	10	51.4 Å²	51.4	5%	0.052	25%	0.249	C	C	.	.	H	α-helix	trans	-64.1	-37.3	175	-80.2	165.4	0	0	0	111.7	I43 V69 C70 Y76 R77 F98 I101 L102	I43-L73 HydrophobicContact CD1-CD2 4.05Å; I43-L73 HydrophobicContact CD1-CG 4.46Å; I43-L73 HydrophobicContact CG2-CD1 4.38Å; I43-L73 HydrophobicContact CG2-CD2 3.85Å; I43-L73 HydrophobicContact CG2-CG 3.95Å; V69-L73 HydrophobicContact CG1-CD1 3.66Å; V69-L73 HydrophobicContact CG1-CG 4.43Å; V69-L73 WeakPolarHBondContact O-CB 3.39Å; V69-L73 WeakPolarHBondContact O-CG 3.41Å; V69-L73 PolarHBondContact O-N 2.89Å; C70-L73 PolarHBondContact O-N 3.41Å; L73-Y76 PolarHBondContact O-N 2.52Å; L73-R77 WeakPolarHBondContact O-CB 3.29Å; L73-R77 PolarHBondContact O-N 3.49Å; L73-F98 HydrophobicContact CD2-CD1 3.8Å; L73-F98 HydrophobicContact CD2-CE1 4.43Å; L73-I101 HydrophobicContact CD1-CG2 4.03Å; L73-L102 HydrophobicContact CB-CD1 4.05Å; L73-L102 HydrophobicContact CD1-CB 3.97Å; L73-L102 HydrophobicContact CD1-CD1 3.94Å
74	S	80.6	Confident	79.3	Confident	62 Å²	62	54.8 Å²	54.8	43%	0.434	26%	0.264	S	S	.	.	H	α-helix	trans	-65.5	-42.3	175.2	-61.1	0	0	0	0	111.7	C70 S71 L72 K78	C70-S74 WeakPolarHBondContact O-CB 3.37Å; C70-S74 PolarHBondContact O-N 3.1Å; C70-S74 PolarHBondContact O-OG 3.49Å; S71-S74 WeakPolarHBondContact O-CB 3.43Å; S71-S74 PolarHBondContact O-N 3.26Å; L72-S74 VanDerWaalsContact C-N 3.29Å; L72-S74 PolarHBondContact O-N 3.49Å; S74-K78 WeakPolarHBondContact O-CG 3.31Å; S74-K78 PolarHBondContact O-N 3.08Å; S74-K78 VanDerWaalsContact O-N 3.12Å
75	E	80	Confident	77.2	Confident	52 Å²	52	61.2 Å²	61.2	24%	0.243	29%	0.292	C	S	.	.	H	α-helix	trans	-69.1	-41.5	173.8	-79.8	-150.1	168.9	0	0	113.5	C29 L32 S71 L72 R77 K78 K79	C29-E75 HydrophobicContact CB-CG 3.86Å; C29-E75 WeakPolarHBondContact CB-OE1 3.18Å; C29-E75 WeakPolarHBondContact CB-OE2 3.35Å; L32-E75 HydrophobicContact CD1-CB 3.38Å; L32-E75 HydrophobicContact CD1-CG 4.47Å; S71-E75 PolarHBondContact O-N 3.38Å; L72-E75 PolarHBondContact O-N 2.92Å; E75-R77 VanDerWaalsContact C-N 3.26Å; E75-R77 PolarHBondContact O-N 3.16Å; E75-K78 PolarHBondContact O-N 2.87Å; E75-K78 VanDerWaalsContact O-N 3.16Å; E75-K79 WeakPolarHBondContact O-CB 3.23Å; E75-K79 PolarHBondContact O-N 3.34Å
76	Y	79.9	Confident	75.1	Confident	7 Å²	7	63.6 Å²	63.6	3%	0.027	32%	0.315	C	S	.	.	H	α-helix	trans	-57.8	-43.9	175.7	177.1	-93.9	0	0	0	110.3	L32 L36 A39 K40 I43 L72 L73 K79 F80 F84 F98	L32-Y76 HydrophobicContact CD2-CD2 4.36Å; L36-Y76 HydrophobicContact CD1-CE2 3.78Å; L36-Y76 WeakPolarHBondContact CD1-OH 3.39Å; L36-Y76 HydrophobicContact CG-CE2 4.47Å; A39-Y76 HydrophobicContact CB-CD2 3.83Å; A39-Y76 HydrophobicContact CB-CE2 3.93Å; K40-Y76 VanDerWaalsContact CE-OH 3.25Å; K40-Y76 WeakPolarHBondContact CE-OH 3.22Å; K40-Y76 HydrophobicContact CG-CE2 4.19Å; I43-Y76 HydrophobicContact CD1-CD2 3.99Å; I43-Y76 HydrophobicContact CD1-CG 3.89Å; L72-Y76 WeakPolarHBondContact O-CB 3.22Å; L72-Y76 PolarHBondContact O-N 3.15Å; L73-Y76 PolarHBondContact O-N 2.52Å; Y76-K79 PolarHBondContact O-N 2.9Å; Y76-F80 AromaticContact CD2-CD2 3.45Å; Y76-F80 HydrophobicContact CD2-CD2 3.45Å; Y76-F80 VanDerWaalsContact CD2-CD2 3.45Å; Y76-F80 AromaticContact CD2-CE2 3.62Å; Y76-F80 HydrophobicContact CD2-CE2 3.62Å; Y76-F80 AromaticContact CE2-CD2 3.63Å; Y76-F80 HydrophobicContact CE2-CD2 3.63Å; Y76-F80 AromaticContact CE2-CE2 3.86Å; Y76-F80 HydrophobicContact CE2-CE2 3.86Å; Y76-F80 HydrophobicContact CE2-CG 4.45Å; Y76-F80 AromaticContact CG-CD2 3.99Å; Y76-F80 HydrophobicContact CG-CD2 3.99Å; Y76-F80 HydrophobicContact CG-CE2 4.5Å; Y76-F80 WeakPolarHBondContact O-CB 3.32Å; Y76-F80 VanDerWaalsContact O-CD2 3.28Å; Y76-F80 WeakPolarHBondContact O-CD2 3.35Å; Y76-F80 PolarHBondContact O-N 2.91Å; Y76-F84 AromaticContact CE1-CE2 3.66Å; Y76-F84 HydrophobicContact CE1-CE2 3.66Å; Y76-F84 AromaticContact CE1-CZ 3.99Å; Y76-F84 HydrophobicContact CE1-CZ 3.99Å; Y76-F98 HydrophobicContact CE1-CD1 4.35Å; Y76-F98 HydrophobicContact CE1-CE1 4.15Å; Y76-F98 HydrophobicContact CE1-CZ 4.48Å
77	R	77.6	Confident	72.6	Confident	162 Å²	162	68.6 Å²	68.6	61%	0.611	34%	0.341	S	S	*	.	H	α-helix	trans	-59.3	-49.8	173.3	-176.2	178.7	171.9	-177.6	-1.8	111.7	L73 E75 E81	L73-R77 WeakPolarHBondContact O-CB 3.29Å; L73-R77 PolarHBondContact O-N 3.49Å; E75-R77 VanDerWaalsContact C-N 3.26Å; E75-R77 PolarHBondContact O-N 3.16Å; R77-E81 WeakPolarHBondContact O-CA 3.44Å; R77-E81 VanDerWaalsContact O-CB 3.3Å; R77-E81 WeakPolarHBondContact O-CB 3.3Å; R77-E81 PolarHBondContact O-N 3.5Å
78	K	77.2	Confident	70.2	Confident	161 Å²	161	70.8 Å²	70.8	70%	0.7	36%	0.363	S	S	*	.	H	α-helix	trans	-60	-45.2	178.7	-72	175.3	-177.7	179	0	112.9	S74 E75	S74-K78 WeakPolarHBondContact O-CG 3.31Å; S74-K78 PolarHBondContact O-N 3.08Å; S74-K78 VanDerWaalsContact O-N 3.12Å; E75-K78 PolarHBondContact O-N 2.87Å; E75-K78 VanDerWaalsContact O-N 3.16Å
79	K	75.3	Confident	67.9	Low	106 Å²	106	76.6 Å²	76.6	46%	0.461	40%	0.397	S	S	.	.	H	α-helix	trans	-69.5	-37.5	-177	-82.3	-179.1	172.1	169.6	0	112.8	L32 E75 Y76	L32-K79 HydrophobicContact CB-CD 4.38Å; L32-K79 PolarHBondContact O-NZ 3.35Å; E75-K79 WeakPolarHBondContact O-CB 3.23Å; E75-K79 PolarHBondContact O-N 3.34Å; Y76-K79 PolarHBondContact O-N 2.9Å
80	F	75.3	Confident	65.4	Low	13 Å²	13	80.1 Å²	80.1	6%	0.057	42%	0.421	C	S	.	.	H	α-helix	trans	-108.3	9.1	-171.8	-60.5	-73.9	0	0	0	113.7	L36 A39 Y76 A82 Q83 F84	L36-F80 HydrophobicContact CB-CE1 4.49Å; L36-F80 HydrophobicContact CD1-CB 4.08Å; L36-F80 HydrophobicContact CD1-CD1 3.66Å; L36-F80 HydrophobicContact CD1-CD2 4.07Å; L36-F80 HydrophobicContact CD1-CE1 4.08Å; L36-F80 HydrophobicContact CD1-CE2 4.46Å; L36-F80 HydrophobicContact CD1-CG 3.66Å; L36-F80 HydrophobicContact CD1-CZ 4.47Å; A39-F80 HydrophobicContact CB-CE2 4.19Å; Y76-F80 AromaticContact CD2-CD2 3.45Å; Y76-F80 HydrophobicContact CD2-CD2 3.45Å; Y76-F80 VanDerWaalsContact CD2-CD2 3.45Å; Y76-F80 AromaticContact CD2-CE2 3.62Å; Y76-F80 HydrophobicContact CD2-CE2 3.62Å; Y76-F80 AromaticContact CE2-CD2 3.63Å; Y76-F80 HydrophobicContact CE2-CD2 3.63Å; Y76-F80 AromaticContact CE2-CE2 3.86Å; Y76-F80 HydrophobicContact CE2-CE2 3.86Å; Y76-F80 HydrophobicContact CE2-CG 4.45Å; Y76-F80 AromaticContact CG-CD2 3.99Å; Y76-F80 HydrophobicContact CG-CD2 3.99Å; Y76-F80 HydrophobicContact CG-CE2 4.5Å; Y76-F80 WeakPolarHBondContact O-CB 3.32Å; Y76-F80 VanDerWaalsContact O-CD2 3.28Å; Y76-F80 WeakPolarHBondContact O-CD2 3.35Å; Y76-F80 PolarHBondContact O-N 2.91Å; F80-A82 VanDerWaalsContact C-N 3.3Å; F80-A82 PolarHBondContact O-N 3.33Å; F80-Q83 PolarHBondContact O-N 3.08Å; F80-F84 HydrophobicContact CB-CD2 4.22Å; F80-F84 HydrophobicContact CB-CE2 4.46Å; F80-F84 PolarHBondContact O-N 3.21Å
81	E	63.8	Low	63	Low	79 Å²	79	83 Å²	83	37%	0.369	44%	0.439	S	S	.	.	H	α-helix	trans	-52.6	-45.6	-177.7	-161.2	155.5	-148.2	0	0	112.6	R77 Q83 F84 F85	R77-E81 WeakPolarHBondContact O-CA 3.44Å; R77-E81 VanDerWaalsContact O-CB 3.3Å; R77-E81 WeakPolarHBondContact O-CB 3.3Å; R77-E81 PolarHBondContact O-N 3.5Å; E81-Q83 VanDerWaalsContact C-N 3.31Å; E81-Q83 PolarHBondContact O-N 2.78Å; E81-F84 WeakPolarHBondContact O-CB 3.36Å; E81-F84 PolarHBondContact O-N 3.26Å; E81-F84 VanDerWaalsContact O-N 3.12Å; E81-F85 HydrophobicContact CG-CD2 3.76Å; E81-F85 HydrophobicContact CG-CE2 3.53Å; E81-F85 VanDerWaalsContact O-CD2 3.3Å; E81-F85 WeakPolarHBondContact O-CD2 3.32Å; E81-F85 PolarHBondContact O-N 3Å; E81-F85 VanDerWaalsContact O-N 3.12Å
82	A	58	Low	60.8	Low	83 Å²	83	84.5 Å²	84.5	69%	0.686	46%	0.458	S	S	*	.	H	α-helix	trans	-62.1	-34.7	179	0	0	0	0	0	113.5	F80 S86	F80-A82 VanDerWaalsContact C-N 3.3Å; F80-A82 PolarHBondContact O-N 3.33Å; A82-S86 PolarHBondContact O-N 3.43Å
83	Q	57.3	Low	58.9	Low	113 Å²	113	89.5 Å²	89.5	53%	0.528	49%	0.49	S	S	.	.	H	α-helix	trans	-78.9	-24	177.8	-66.6	-179.6	3.5	0	0	112.2	F80 E81	F80-Q83 PolarHBondContact O-N 3.08Å; E81-Q83 VanDerWaalsContact C-N 3.31Å; E81-Q83 PolarHBondContact O-N 2.78Å
84	F	51.6	Low	57.2	Low	81 Å²	81	97.7 Å²	97.7	36%	0.355	52%	0.52	S	S	.	.	H	α-helix	trans	-75.1	-38.2	175.4	-98.5	-89.6	0	0	0	112.4	Y76 F80 E81	Y76-F84 AromaticContact CE1-CE2 3.66Å; Y76-F84 HydrophobicContact CE1-CE2 3.66Å; Y76-F84 AromaticContact CE1-CZ 3.99Å; Y76-F84 HydrophobicContact CE1-CZ 3.99Å; F80-F84 HydrophobicContact CB-CD2 4.22Å; F80-F84 HydrophobicContact CB-CE2 4.46Å; F80-F84 PolarHBondContact O-N 3.21Å; E81-F84 WeakPolarHBondContact O-CB 3.36Å; E81-F84 PolarHBondContact O-N 3.26Å; E81-F84 VanDerWaalsContact O-N 3.12Å
85	F	46.4	Very low	55.6	Low	143 Å²	143	100.6 Å²	100.6	63%	0.627	53%	0.526	S	S	*	.	H	α-helix	trans	-84.7	-20.3	-177.8	-76.1	-72.4	0	0	0	115	E81 N87	E81-F85 HydrophobicContact CG-CD2 3.76Å; E81-F85 HydrophobicContact CG-CE2 3.53Å; E81-F85 VanDerWaalsContact O-CD2 3.3Å; E81-F85 WeakPolarHBondContact O-CD2 3.32Å; E81-F85 PolarHBondContact O-N 3Å; E81-F85 VanDerWaalsContact O-N 3.12Å; F85-N87 PolarHBondContact O-N 2.93Å
86	S	48.6	Very low	54.3	Low	90 Å²	90	102.3 Å²	102.3	63%	0.629	54%	0.54	S	S	*	.	S	Bend	trans	-76.2	-10.2	178.8	69.2	0	0	0	0	114.1	A82	A82-S86 PolarHBondContact O-N 3.43Å
87	N	40.1	Very low	53.6	Low	110 Å²	110	107.7 Å²	107.7	59%	0.588	57%	0.566	S	S	*	*			trans	-112.8	60.2	-175.2	-95.1	-24.1	0	0	0	112	F85 N89	F85-N87 PolarHBondContact O-N 2.93Å; N87-N89 PolarHBondContact O-N 3.49Å
88	V	41.4	Very low	53.2	Low	125 Å²	125	101.9 Å²	101.9	76%	0.758	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	-9.9	176.5	-177.2	0	0	0	0	112.9
89	N	40.7	Very low	52.9	Low	161 Å²	161	98.8 Å²	98.8	86%	0.861	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111	19.2	-172.9	-72.8	-13.8	0	0	0	116.8	N87	N87-N89 PolarHBondContact O-N 3.49Å
90	S	36.1	Very low	52.9	Low	73 Å²	73	96.6 Å²	96.6	51%	0.51	54%	0.537	S	S	.	.	S	Bend	trans	-149.2	122.9	167.7	60.1	0	0	0	0	115.2
91	T	37.6	Very low	53.3	Low	80 Å²	80	96.6 Å²	96.6	49%	0.491	54%	0.538	S	S	.	.			trans	75.1	91	155.7	61.4	0	0	0	0	118.9	T93 R94	T91-T93 PolarHBondContact O-N 3.32Å; T91-R94 PolarHBondContact O-N 3.25Å
92	G	40.3	Very low	54.2	Low	61 Å²	61	95.6 Å²	95.6	63%	0.629	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-2.7	167.4	0	0	0	0	0	116.2
93	T	45.1	Very low	55.3	Low	108 Å²	108	95 Å²	95	66%	0.663	53%	0.526	S	S	*	.	H	α-helix	trans	-84.5	-24.7	176.2	7.1	0	0	0	0	114	T91 T96	T91-T93 PolarHBondContact O-N 3.32Å; T93-T96 PolarHBondContact O-OG1 3.48Å
94	R	47.5	Very low	56.6	Low	182 Å²	182	94.2 Å²	94.2	69%	0.687	52%	0.523	S	S	*	.	H	α-helix	trans	-81.8	-24.1	-176.9	-73.5	-179.5	174.6	-177.8	-0.9	113.2	T91	T91-R94 PolarHBondContact O-N 3.25Å
95	Q	48	Very low	58.4	Low	123 Å²	123	90.4 Å²	90.4	58%	0.575	51%	0.506	S	S	*	.	H	α-helix	trans	-82.6	-26.3	-178.1	-145.8	162.5	5.8	0	0	112.2	V99	Q95-V99 VanDerWaalsContact O-CG2 3.27Å; Q95-V99 WeakPolarHBondContact O-CG2 3.31Å
96	T	52.4	Low	60.2	Low	87 Å²	87	85.6 Å²	85.6	53%	0.534	49%	0.489	S	S	.	.	H	α-helix	trans	-73.9	-36.9	-176.1	46.9	0	0	0	0	113.7	T93 S100	T93-T96 PolarHBondContact O-OG1 3.48Å; T96-S100 VanDerWaalsContact O-CB 3.3Å; T96-S100 WeakPolarHBondContact O-CB 3.42Å; T96-S100 PolarHBondContact O-N 3.41Å
97	Q	65.7	Low	62	Low	120 Å²	120	83.9 Å²	83.9	56%	0.561	48%	0.477	S	S	*	.	H	α-helix	trans	-68.3	-43.4	-177.5	-170.3	179.8	-8.8	0	0	112.7	S100 I101	Q97-S100 WeakPolarHBondContact O-CB 3.34Å; Q97-S100 PolarHBondContact O-N 3.48Å; Q97-I101 HydrophobicContact CG-CD1 4.28Å; Q97-I101 WeakPolarHBondContact O-CG1 3.37Å; Q97-I101 PolarHBondContact O-N 2.88Å
98	F	68.4	Low	64.3	Low	41 Å²	41	81.1 Å²	81.1	18%	0.18	46%	0.458	C	S	.	.	H	α-helix	trans	-65.5	-43.2	178.4	-80	-77.3	0	0	0	112.5	K40 L73 Y76 S100 I101 L102	K40-F98 HydrophobicContact CB-CZ 4.24Å; K40-F98 HydrophobicContact CD-CE2 4.18Å; K40-F98 HydrophobicContact CD-CZ 3.72Å; K40-F98 HydrophobicContact CG-CE1 4.3Å; K40-F98 HydrophobicContact CG-CE2 4.46Å; K40-F98 HydrophobicContact CG-CZ 3.57Å; L73-F98 HydrophobicContact CD2-CD1 3.8Å; L73-F98 HydrophobicContact CD2-CE1 4.43Å; Y76-F98 HydrophobicContact CE1-CD1 4.35Å; Y76-F98 HydrophobicContact CE1-CE1 4.15Å; Y76-F98 HydrophobicContact CE1-CZ 4.48Å; F98-S100 VanDerWaalsContact C-N 3.27Å; F98-S100 PolarHBondContact O-N 3.21Å; F98-I101 PolarHBondContact O-N 3.22Å; F98-L102 WeakPolarHBondContact O-CB 3.43Å; F98-L102 PolarHBondContact O-N 2.78Å
99	V	72.1	Confident	66.7	Low	95 Å²	95	75.7 Å²	75.7	58%	0.576	43%	0.426	S	S	*	.	H	α-helix	trans	-63.4	-38.2	176.6	174.5	0	0	0	0	110.5	Q95 S103	Q95-V99 VanDerWaalsContact O-CG2 3.27Å; Q95-V99 WeakPolarHBondContact O-CG2 3.31Å; V99-S103 VanDerWaalsContact O-CB 3.26Å; V99-S103 WeakPolarHBondContact O-CB 3.4Å; V99-S103 PolarHBondContact O-N 3.37Å
100	S	75.2	Confident	68.9	Low	60 Å²	60	70.6 Å²	70.6	42%	0.42	40%	0.403	S	S	.	.	H	α-helix	trans	-62.5	-51.3	175.4	-174.5	0	0	0	0	112.3	T96 Q97 F98 L102 S103 M104	T96-S100 VanDerWaalsContact O-CB 3.3Å; T96-S100 WeakPolarHBondContact O-CB 3.42Å; T96-S100 PolarHBondContact O-N 3.41Å; Q97-S100 WeakPolarHBondContact O-CB 3.34Å; Q97-S100 PolarHBondContact O-N 3.48Å; F98-S100 VanDerWaalsContact C-N 3.27Å; F98-S100 PolarHBondContact O-N 3.21Å; S100-L102 VanDerWaalsContact C-N 3.33Å; S100-L102 PolarHBondContact O-N 2.95Å; S100-S103 PolarHBondContact O-N 2.97Å; S100-M104 WeakPolarHBondContact O-CB 3.33Å; S100-M104 VanDerWaalsContact O-CG 3.32Å; S100-M104 WeakPolarHBondContact O-CG 3.38Å; S100-M104 PolarHBondContact O-N 3.17Å
101	I	82.3	Confident	71.4	Confident	13 Å²	13	71.7 Å²	71.7	7%	0.067	40%	0.4	C	S	.	.	H	α-helix	trans	-59.9	-43.9	179.3	-67.4	171.9	0	0	0	111.1	Y47 V69 L73 Q97 F98 S105	Y47-I101 HydrophobicContact CD1-CD1 4.38Å; Y47-I101 HydrophobicContact CD1-CG1 4.15Å; Y47-I101 HydrophobicContact CD1-CG2 4.03Å; Y47-I101 HydrophobicContact CD2-CG2 3.7Å; Y47-I101 HydrophobicContact CE1-CG1 4.06Å; Y47-I101 HydrophobicContact CE1-CG2 4.31Å; Y47-I101 HydrophobicContact CE2-CG2 3.99Å; Y47-I101 HydrophobicContact CG-CG2 3.71Å; V69-I101 HydrophobicContact CG1-CG2 4.14Å; L73-I101 HydrophobicContact CD1-CG2 4.03Å; Q97-I101 HydrophobicContact CG-CD1 4.28Å; Q97-I101 WeakPolarHBondContact O-CG1 3.37Å; Q97-I101 PolarHBondContact O-N 2.88Å; F98-I101 PolarHBondContact O-N 3.22Å; I101-S105 VanDerWaalsContact O-CB 3.27Å; I101-S105 WeakPolarHBondContact O-CB 3.49Å; I101-S105 PolarHBondContact O-N 2.81Å; I101-S105 PolarHBondContact O-OG 3.05Å
102	L	82.6	Confident	73.9	Confident	59 Å²	59	68 Å²	68	31%	0.309	38%	0.377	S	S	.	.	H	α-helix	trans	-61.9	-49.4	177.2	-177	60.3	0	0	0	111	C70 L73 F98 S100 M104 S105 V106	C70-L102 HydrophobicContact CB-CD1 4.5Å; L73-L102 HydrophobicContact CB-CD1 4.05Å; L73-L102 HydrophobicContact CD1-CB 3.97Å; L73-L102 HydrophobicContact CD1-CD1 3.94Å; F98-L102 WeakPolarHBondContact O-CB 3.43Å; F98-L102 PolarHBondContact O-N 2.78Å; S100-L102 VanDerWaalsContact C-N 3.33Å; S100-L102 PolarHBondContact O-N 2.95Å; L102-M104 PolarHBondContact O-N 2.8Å; L102-S105 PolarHBondContact O-N 2.96Å; L102-V106 HydrophobicContact CD1-CG2 4Å; L102-V106 HydrophobicContact CG-CG2 4.4Å; L102-V106 VanDerWaalsContact O-CG2 3.29Å; L102-V106 WeakPolarHBondContact O-CG2 3.33Å; L102-V106 PolarHBondContact O-N 3.26Å
103	S	81.5	Confident	76.4	Confident	71 Å²	71	66.6 Å²	66.6	50%	0.497	36%	0.356	S	S	.	.	H	α-helix	trans	-58.8	-47.3	-180	-172.3	0	0	0	0	111.9	V99 S100 S107	V99-S103 VanDerWaalsContact O-CB 3.26Å; V99-S103 WeakPolarHBondContact O-CB 3.4Å; V99-S103 PolarHBondContact O-N 3.37Å; S100-S103 PolarHBondContact O-N 2.97Å; S103-S107 WeakPolarHBondContact O-CB 3.37Å; S103-S107 PolarHBondContact O-N 2.74Å
104	M	85	Confident	78.3	Confident	96 Å²	96	66.4 Å²	66.4	47%	0.473	35%	0.35	S	S	.	.	H	α-helix	trans	-63.1	-43.3	177.8	-70.3	-179.1	71.2	0	0	112	Y47 S100 L102 R108	Y47-M104 WeakPolarHBondContact OH-CB 3.33Å; Y47-M104 WeakPolarHBondContact OH-CE 3.43Å; Y47-M104 PolarHBondContact OH-SD 2.86Å; S100-M104 WeakPolarHBondContact O-CB 3.33Å; S100-M104 VanDerWaalsContact O-CG 3.32Å; S100-M104 WeakPolarHBondContact O-CG 3.38Å; S100-M104 PolarHBondContact O-N 3.17Å; L102-M104 PolarHBondContact O-N 2.8Å; M104-R108 WeakPolarHBondContact O-CB 3.2Å; M104-R108 PolarHBondContact O-N 2.67Å
105	S	88.9	Confident	80.3	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-66.5	-42.2	-179.1	-57.6	0	0	0	0	112.1	Y47 C70 I101 L102 A109	Y47-S105 WeakPolarHBondContact CD2-OG 3.43Å; Y47-S105 VanDerWaalsContact CE2-OG 3.29Å; Y47-S105 WeakPolarHBondContact CE2-OG 3.41Å; C70-S105 VanDerWaalsContact SG-CB 3.56Å; I101-S105 VanDerWaalsContact O-CB 3.27Å; I101-S105 WeakPolarHBondContact O-CB 3.49Å; I101-S105 PolarHBondContact O-N 2.81Å; I101-S105 PolarHBondContact O-OG 3.05Å; L102-S105 PolarHBondContact O-N 2.96Å; S105-A109 WeakPolarHBondContact O-CB 3.33Å; S105-A109 PolarHBondContact O-N 2.7Å
106	V	85.4	Confident	82.3	Confident	43 Å²	43	53.8 Å²	53.8	26%	0.261	30%	0.304	S	S	.	.	H	α-helix	trans	-68.1	-44.2	178.2	178.9	0	0	0	0	111.1	C70 L102 S110 Y330	C70-V106 VanDerWaalsContact SG-CG2 3.52Å; L102-V106 HydrophobicContact CD1-CG2 4Å; L102-V106 HydrophobicContact CG-CG2 4.4Å; L102-V106 VanDerWaalsContact O-CG2 3.29Å; L102-V106 WeakPolarHBondContact O-CG2 3.33Å; L102-V106 PolarHBondContact O-N 3.26Å; V106-S110 PolarHBondContact O-N 3.21Å; V106-S110 VanDerWaalsContact O-N 3.09Å; V106-S110 PolarHBondContact O-OG 2.89Å; V106-Y330 HydrophobicContact CG1-CE1 4.18Å; V106-Y330 WeakPolarHBondContact CG1-OH 3.46Å
107	S	86.6	Confident	84	Confident	54 Å²	54	53.8 Å²	53.8	38%	0.378	30%	0.298	S	S	.	.	H	α-helix	trans	-58.5	-50.5	177.2	-164.8	0	0	0	0	110.7	S103 S110 E111	S103-S107 WeakPolarHBondContact O-CB 3.37Å; S103-S107 PolarHBondContact O-N 2.74Å; S107-S110 PolarHBondContact O-N 3.43Å; S107-E111 PolarHBondContact O-N 3.11Å; S107-E111 VanDerWaalsContact O-N 3.13Å
108	R	88.2	Confident	85	Confident	52 Å²	52	51.6 Å²	51.6	20%	0.196	30%	0.296	C	S	.	.	H	α-helix	trans	-68.9	-38.7	-177.1	-166.9	64.2	-175.3	135.1	11.5	112.8	D54 Y66 M104 S110 E111 L112	D54-R108 VanDerWaalsContact CG-NE 3.3Å; D54-R108 IonicContact OD1-CZ 2.82Å; D54-R108 VanDerWaalsContact OD1-CZ 3.24Å; D54-R108 IonicContact OD1-NE 3.77Å; D54-R108 PolarHBondContact OD1-NE 2.74Å; D54-R108 IonicContact OD1-NH2 2.78Å; D54-R108 PolarHBondContact OD1-NH2 2.88Å; D54-R108 IonicContact OD2-CZ 3.83Å; D54-R108 IonicContact OD2-NE 2.72Å; D54-R108 PolarHBondContact OD2-NE 3.1Å; D54-R108 IonicContact OD2-NH2 3.15Å; Y66-R108 HydrophobicContact CD2-CB 4.25Å; Y66-R108 HydrophobicContact CD2-CG 3.99Å; Y66-R108 HydrophobicContact CE1-CB 4.39Å; Y66-R108 HydrophobicContact CE2-CB 3.99Å; Y66-R108 HydrophobicContact CE2-CG 3.41Å; Y66-R108 VanDerWaalsContact CE2-CG 3.41Å; M104-R108 WeakPolarHBondContact O-CB 3.2Å; M104-R108 PolarHBondContact O-N 2.67Å; R108-S110 VanDerWaalsContact C-N 3.25Å; R108-S110 PolarHBondContact O-N 3.28Å; R108-E111 IonicContact CZ-OE2 2.79Å; R108-E111 IonicContact NH1-OE2 3.63Å; R108-E111 PolarHBondContact NH1-OE2 3.08Å; R108-E111 PolarHBondContact O-N 3.25Å; R108-L112 HydrophobicContact CG-CD1 4.14Å; R108-L112 HydrophobicContact CG-CG 4.44Å; R108-L112 WeakPolarHBondContact O-CB 3.39Å; R108-L112 VanDerWaalsContact O-CG 3.26Å; R108-L112 WeakPolarHBondContact O-CG 3.25Å; R108-L112 PolarHBondContact O-N 2.86Å
109	A	90.2	Very high	85.7	Confident	10 Å²	10	52 Å²	52	8%	0.083	30%	0.296	C	S	.	.	H	α-helix	trans	-61.2	-35.1	174.6	0	0	0	0	0	112.4	Y63 S105 L113	Y63-A109 HydrophobicContact CD2-CB 4.3Å; Y63-A109 WeakPolarHBondContact CD2-O 3.36Å; Y63-A109 HydrophobicContact CE2-CB 4.34Å; Y63-A109 WeakPolarHBondContact CE2-O 3.46Å; S105-A109 WeakPolarHBondContact O-CB 3.33Å; S105-A109 PolarHBondContact O-N 2.7Å; A109-L113 WeakPolarHBondContact O-CB 3.48Å; A109-L113 PolarHBondContact O-N 2.83Å
110	S	88	Confident	86.4	Confident	55 Å²	55	48 Å²	48	39%	0.385	27%	0.271	S	S	.	.	H	α-helix	trans	-70.6	-46.3	178.2	-53.9	0	0	0	0	111.3	V106 S107 R108 L112 L113 D114	V106-S110 PolarHBondContact O-N 3.21Å; V106-S110 VanDerWaalsContact O-N 3.09Å; V106-S110 PolarHBondContact O-OG 2.89Å; S107-S110 PolarHBondContact O-N 3.43Å; R108-S110 VanDerWaalsContact C-N 3.25Å; R108-S110 PolarHBondContact O-N 3.28Å; S110-L112 VanDerWaalsContact C-N 3.34Å; S110-L112 PolarHBondContact O-N 3.44Å; S110-L113 WeakPolarHBondContact O-CB 2.95Å; S110-L113 PolarHBondContact O-N 2.85Å; S110-L113 VanDerWaalsContact O-N 3.17Å; S110-D114 PolarHBondContact O-N 3.09Å; S110-D114 VanDerWaalsContact O-N 3.08Å
111	E	88.9	Confident	86.8	Confident	95 Å²	95	50.4 Å²	50.4	44%	0.444	28%	0.275	S	S	.	.	H	α-helix	trans	-59.1	-43	175.5	-69.4	166.7	-158.5	0	0	112.5	S107 R108 L113 S115	S107-E111 PolarHBondContact O-N 3.11Å; S107-E111 VanDerWaalsContact O-N 3.13Å; R108-E111 IonicContact CZ-OE2 2.79Å; R108-E111 IonicContact NH1-OE2 3.63Å; R108-E111 PolarHBondContact NH1-OE2 3.08Å; R108-E111 PolarHBondContact O-N 3.25Å; E111-L113 VanDerWaalsContact C-N 3.33Å; E111-S115 WeakPolarHBondContact O-CB 2.78Å; E111-S115 PolarHBondContact O-N 2.92Å; E111-S115 VanDerWaalsContact O-N 3.12Å
112	L	90.3	Very high	86.8	Confident	2 Å²	2	55.8 Å²	55.8	1%	0.01	30%	0.3	C	S	.	.	H	α-helix	trans	-65.4	-38.1	177.2	-71.8	171.7	0	0	0	111.4	E59 A62 Y63 Y66 R108 S110 S115 L116	E59-L112 HydrophobicContact CB-CD2 3.85Å; E59-L112 HydrophobicContact CG-CD2 3.73Å; A62-L112 HydrophobicContact CB-CD1 3.71Å; Y63-L112 HydrophobicContact CD2-CB 4.49Å; Y66-L112 HydrophobicContact CD2-CD1 3.85Å; Y66-L112 HydrophobicContact CE2-CD1 4.11Å; R108-L112 HydrophobicContact CG-CD1 4.14Å; R108-L112 HydrophobicContact CG-CG 4.44Å; R108-L112 WeakPolarHBondContact O-CB 3.39Å; R108-L112 VanDerWaalsContact O-CG 3.26Å; R108-L112 WeakPolarHBondContact O-CG 3.25Å; R108-L112 PolarHBondContact O-N 2.86Å; S110-L112 VanDerWaalsContact C-N 3.34Å; S110-L112 PolarHBondContact O-N 3.44Å; L112-S115 PolarHBondContact O-N 3.32Å; L112-L116 VanDerWaalsContact O-CB 3.29Å; L112-L116 WeakPolarHBondContact O-CB 3.44Å; L112-L116 WeakPolarHBondContact O-CD1 3.34Å; L112-L116 WeakPolarHBondContact O-CG 3.16Å; L112-L116 PolarHBondContact O-N 2.98Å
113	L	91.1	Very high	86.5	Confident	33 Å²	33	57.2 Å²	57.2	17%	0.173	31%	0.311	C	S	.	.	H	α-helix	trans	-65.4	-43.6	179	-173.5	64.8	0	0	0	112	V17 Q21 Y63 A109 S110 E111 L116 Q117	V17-L113 HydrophobicContact CG1-CD1 3.41Å; V17-L113 VanDerWaalsContact CG1-CD1 3.41Å; Q21-L113 HydrophobicContact CG-CD1 4.22Å; Y63-L113 HydrophobicContact CD2-CB 4.28Å; Y63-L113 HydrophobicContact CE2-CB 3.92Å; Y63-L113 HydrophobicContact CE2-CD1 3.96Å; Y63-L113 HydrophobicContact CE2-CD2 4.44Å; Y63-L113 HydrophobicContact CE2-CG 4.34Å; A109-L113 WeakPolarHBondContact O-CB 3.48Å; A109-L113 PolarHBondContact O-N 2.83Å; S110-L113 WeakPolarHBondContact O-CB 2.95Å; S110-L113 PolarHBondContact O-N 2.85Å; S110-L113 VanDerWaalsContact O-N 3.17Å; E111-L113 VanDerWaalsContact C-N 3.33Å; L113-L116 PolarHBondContact O-N 3.4Å; L113-Q117 VanDerWaalsContact O-CB 3.31Å; L113-Q117 WeakPolarHBondContact O-CB 3.15Å; L113-Q117 PolarHBondContact O-N 2.91Å
114	D	87	Confident	86.3	Confident	103 Å²	103	59.4 Å²	59.4	55%	0.551	32%	0.317	S	S	*	.	H	α-helix	trans	-64.3	-41.6	177.3	-68.1	-20.3	0	0	0	111.6	S110 S118	S110-D114 PolarHBondContact O-N 3.09Å; S110-D114 VanDerWaalsContact O-N 3.08Å; D114-S118 PolarHBondContact O-N 2.95Å; D114-S118 PolarHBondContact O-OG 3.37Å; D114-S118 VanDerWaalsContact O-OG 3.1Å
115	S	88.3	Confident	85.6	Confident	41 Å²	41	59 Å²	59	29%	0.287	32%	0.324	S	S	.	.	H	α-helix	trans	-60.2	-52.4	174.2	-178.5	0	0	0	0	111.4	E59 E111 L112 Q117 S118 R119	E59-S115 PolarHBondContact OE2-OG 2.8Å; E111-S115 WeakPolarHBondContact O-CB 2.78Å; E111-S115 PolarHBondContact O-N 2.92Å; E111-S115 VanDerWaalsContact O-N 3.12Å; L112-S115 PolarHBondContact O-N 3.32Å; S115-Q117 VanDerWaalsContact C-N 3.32Å; S115-Q117 PolarHBondContact O-N 3.1Å; S115-S118 PolarHBondContact O-N 2.96Å; S115-R119 WeakPolarHBondContact O-CG 2.99Å; S115-R119 PolarHBondContact O-N 3.2Å
116	L	90	Very high	84.2	Confident	0 Å²	0	65.6 Å²	65.6	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-62.4	-40.3	-179.6	-72.7	168.2	0	0	0	111.4	L11 L20 E59 E60 L112 L113 S118 R119 Y120	L11-L116 HydrophobicContact CD2-CD2 3.5Å; L11-L116 VanDerWaalsContact CD2-CD2 3.5Å; L20-L116 HydrophobicContact CD2-CD1 3.56Å; E59-L116 HydrophobicContact CB-CD1 4.34Å; E59-L116 HydrophobicContact CB-CD2 3.77Å; E59-L116 HydrophobicContact CB-CG 4.06Å; E60-L116 HydrophobicContact CG-CD2 3.8Å; L112-L116 VanDerWaalsContact O-CB 3.29Å; L112-L116 WeakPolarHBondContact O-CB 3.44Å; L112-L116 WeakPolarHBondContact O-CD1 3.34Å; L112-L116 WeakPolarHBondContact O-CG 3.16Å; L112-L116 PolarHBondContact O-N 2.98Å; L113-L116 PolarHBondContact O-N 3.4Å; L116-S118 PolarHBondContact O-N 3.1Å; L116-R119 PolarHBondContact O-N 3.17Å; L116-Y120 HydrophobicContact CB-CD2 4.33Å; L116-Y120 HydrophobicContact CB-CE2 4.22Å; L116-Y120 WeakPolarHBondContact O-CD2 3.3Å; L116-Y120 PolarHBondContact O-N 3.19Å
117	Q	88.9	Confident	82.3	Confident	86 Å²	86	68.4 Å²	68.4	40%	0.402	37%	0.374	S	S	.	.	H	α-helix	trans	-59	-46.3	177.4	-177.5	167.5	-11.6	0	0	111.9	V17 L113 S115 R119 Y120 E121	V17-Q117 HydrophobicContact CG2-CB 3.96Å; V17-Q117 HydrophobicContact CG2-CG 4.35Å; L113-Q117 VanDerWaalsContact O-CB 3.31Å; L113-Q117 WeakPolarHBondContact O-CB 3.15Å; L113-Q117 PolarHBondContact O-N 2.91Å; S115-Q117 VanDerWaalsContact C-N 3.32Å; S115-Q117 PolarHBondContact O-N 3.1Å; Q117-R119 VanDerWaalsContact C-N 3.3Å; Q117-R119 PolarHBondContact O-N 2.94Å; Q117-Y120 PolarHBondContact O-N 3.4Å; Q117-E121 VanDerWaalsContact CG-OE1 3.3Å; Q117-E121 WeakPolarHBondContact CG-OE1 3.28Å; Q117-E121 PolarHBondContact NE2-OE1 3.43Å; Q117-E121 WeakPolarHBondContact O-CB 3.46Å; Q117-E121 VanDerWaalsContact O-CG 3.31Å; Q117-E121 WeakPolarHBondContact O-CG 3.34Å; Q117-E121 PolarHBondContact O-N 2.9Å
118	S	85.4	Confident	80.4	Confident	75 Å²	75	75.3 Å²	75.3	52%	0.524	40%	0.397	S	S	.	.	H	α-helix	trans	-59.8	-40.7	176.7	-56.5	0	0	0	0	111.8	D114 S115 L116 E121 E122	D114-S118 PolarHBondContact O-N 2.95Å; D114-S118 PolarHBondContact O-OG 3.37Å; D114-S118 VanDerWaalsContact O-OG 3.1Å; S115-S118 PolarHBondContact O-N 2.96Å; L116-S118 PolarHBondContact O-N 3.1Å; S118-E121 PolarHBondContact O-N 3.41Å; S118-E122 PolarHBondContact O-N 2.83Å
119	R	84.6	Confident	78.1	Confident	49 Å²	49	80.1 Å²	80.1	19%	0.185	43%	0.427	C	S	.	.	H	α-helix	trans	-72.6	-38.8	-179.5	-66.4	-175.9	67.9	-163.6	1.9	113.5	K9 L11 S115 L116 Q117 E121 E122 V123	K9-R119 VanDerWaalsContact O-CZ 3.23Å; K9-R119 PolarHBondContact O-NH1 3.45Å; K9-R119 PolarHBondContact O-NH2 3.27Å; L11-R119 HydrophobicContact CD1-CB 3.83Å; S115-R119 WeakPolarHBondContact O-CG 2.99Å; S115-R119 PolarHBondContact O-N 3.2Å; L116-R119 PolarHBondContact O-N 3.17Å; Q117-R119 VanDerWaalsContact C-N 3.3Å; Q117-R119 PolarHBondContact O-N 2.94Å; R119-E121 VanDerWaalsContact C-N 3.31Å; R119-E122 PolarHBondContact O-N 2.73Å; R119-V123 WeakPolarHBondContact O-CG2 3.4Å; R119-V123 PolarHBondContact O-N 3.27Å
120	Y	86.7	Confident	75.4	Confident	11 Å²	11	86.9 Å²	86.9	4%	0.043	46%	0.461	C	S	.	.	H	α-helix	trans	-67	-34.7	172.8	-76.5	-64.8	0	0	0	111.7	L11 F14 V17 E60 L116 Q117 N124	L11-Y120 HydrophobicContact CB-CE1 4.31Å; L11-Y120 HydrophobicContact CD1-CD1 3.69Å; L11-Y120 HydrophobicContact CD1-CE1 3.83Å; L11-Y120 HydrophobicContact CD1-CG 4.06Å; L11-Y120 HydrophobicContact CD2-CE1 4.21Å; L11-Y120 HydrophobicContact CD2-CE2 4.21Å; L11-Y120 HydrophobicContact CG-CE1 4.35Å; F14-Y120 VanDerWaalsContact O-CE1 3.3Å; F14-Y120 WeakPolarHBondContact O-CE1 3.43Å; V17-Y120 HydrophobicContact CB-CD2 4.31Å; V17-Y120 HydrophobicContact CG2-CD2 3.32Å; V17-Y120 HydrophobicContact CG2-CE2 3.92Å; V17-Y120 HydrophobicContact CG2-CG 4.17Å; E60-Y120 PolarHBondContact OE1-OH 2.87Å; L116-Y120 HydrophobicContact CB-CD2 4.33Å; L116-Y120 HydrophobicContact CB-CE2 4.22Å; L116-Y120 WeakPolarHBondContact O-CD2 3.3Å; L116-Y120 PolarHBondContact O-N 3.19Å; Q117-Y120 PolarHBondContact O-N 3.4Å; Y120-N124 WeakPolarHBondContact O-CB 3.45Å; Y120-N124 PolarHBondContact O-N 3.24Å; Y120-N124 VanDerWaalsContact O-N 3.12Å; Y120-N124 PolarHBondContact O-ND2 3.43Å
121	E	83.6	Confident	72.7	Confident	110 Å²	110	88.8 Å²	88.8	51%	0.514	48%	0.481	S	S	.	.	H	α-helix	trans	-66.9	-40.3	173.9	-74.2	173.5	-167.5	0	0	111.2	Q117 S118 R119 N124 S125	Q117-E121 VanDerWaalsContact CG-OE1 3.3Å; Q117-E121 WeakPolarHBondContact CG-OE1 3.28Å; Q117-E121 PolarHBondContact NE2-OE1 3.43Å; Q117-E121 WeakPolarHBondContact O-CB 3.46Å; Q117-E121 VanDerWaalsContact O-CG 3.31Å; Q117-E121 WeakPolarHBondContact O-CG 3.34Å; Q117-E121 PolarHBondContact O-N 2.9Å; S118-E121 PolarHBondContact O-N 3.41Å; R119-E121 VanDerWaalsContact C-N 3.31Å; E121-N124 PolarHBondContact O-N 3.46Å; E121-S125 VanDerWaalsContact O-CB 3.26Å; E121-S125 WeakPolarHBondContact O-CB 3.26Å; E121-S125 PolarHBondContact O-N 3.15Å; E121-S125 PolarHBondContact O-OG 3.22Å
122	E	80.6	Confident	70.1	Confident	126 Å²	126	93.2 Å²	93.2	59%	0.589	50%	0.504	S	S	*	.	H	α-helix	trans	-61.1	-51.2	175.6	-169.8	172.2	-162	0	0	111.9	S118 R119 N124 S125 E126	S118-E122 PolarHBondContact O-N 2.83Å; R119-E122 PolarHBondContact O-N 2.73Å; E122-N124 VanDerWaalsContact C-N 3.28Å; E122-N124 PolarHBondContact O-N 2.96Å; E122-S125 WeakPolarHBondContact CA-OG 3.15Å; E122-S125 PolarHBondContact O-N 3.48Å; E122-S125 PolarHBondContact O-OG 2.76Å; E122-E126 PolarHBondContact O-N 3.45Å
123	V	78.3	Confident	67.2	Low	90 Å²	90	100.1 Å²	100.1	55%	0.545	54%	0.541	S	S	.	.	H	α-helix	trans	-60.9	-35.9	177.9	173.8	0	0	0	0	112.1	L11 R119 S125	L11-V123 HydrophobicContact CD1-CG2 4.25Å; R119-V123 WeakPolarHBondContact O-CG2 3.4Å; R119-V123 PolarHBondContact O-N 3.27Å; V123-S125 VanDerWaalsContact C-N 3.35Å
124	N	75.5	Confident	64.6	Low	116 Å²	116	105.8 Å²	105.8	62%	0.62	58%	0.577	S	S	*	*	H	α-helix	trans	-79	-17.9	176.6	-74.2	-50.7	0	0	0	113.4	Y120 E121 E122	Y120-N124 WeakPolarHBondContact O-CB 3.45Å; Y120-N124 PolarHBondContact O-N 3.24Å; Y120-N124 VanDerWaalsContact O-N 3.12Å; Y120-N124 PolarHBondContact O-ND2 3.43Å; E121-N124 PolarHBondContact O-N 3.46Å; E122-N124 VanDerWaalsContact C-N 3.28Å; E122-N124 PolarHBondContact O-N 2.96Å
125	S	71.5	Confident	62	Low	88 Å²	88	104.1 Å²	104.1	62%	0.615	58%	0.577	S	S	*	*	H	α-helix	trans	-87.3	-15.1	178.6	73.8	0	0	0	0	113.8	E121 E122 V123 P127	E121-S125 VanDerWaalsContact O-CB 3.26Å; E121-S125 WeakPolarHBondContact O-CB 3.26Å; E121-S125 PolarHBondContact O-N 3.15Å; E121-S125 PolarHBondContact O-OG 3.22Å; E122-S125 WeakPolarHBondContact CA-OG 3.15Å; E122-S125 PolarHBondContact O-N 3.48Å; E122-S125 PolarHBondContact O-OG 2.76Å; V123-S125 VanDerWaalsContact C-N 3.35Å; S125-P127 WeakPolarHBondContact O-CD 3.31Å
126	E	58.3	Low	59.1	Low	139 Å²	139	109 Å²	109	65%	0.65	60%	0.6	S	S	*	*	S	Bend	trans	-63.3	121.6	174.6	-71.7	-163.7	155.2	0	0	110.2	E122 K128	E122-E126 PolarHBondContact O-N 3.45Å; E126-K128 PolarHBondContact O-N 3.35Å; E126-K128 VanDerWaalsContact O-N 3.17Å
127	P	46.9	Very low	56.3	Low	102 Å²	102	116.8 Å²	116.8	66%	0.662	64%	0.641	S	S	*	*			trans	-63.1	122.3	178.4	23.5	-30.1	0	0	0	109	S125 N129	S125-P127 WeakPolarHBondContact O-CD 3.31Å; P127-N129 VanDerWaalsContact C-N 3.27Å; P127-N129 PolarHBondContact O-N 3.45Å
128	K	46.7	Very low	53.4	Low	198 Å²	198	118.4 Å²	118.4	86%	0.861	66%	0.657	S	S	*	*			trans	-59.3	91.5	170.4	-69.7	-178.2	177.6	-179.7	0	108.4	E126 D130	E126-K128 PolarHBondContact O-N 3.35Å; E126-K128 VanDerWaalsContact O-N 3.17Å; K128-D130 PolarHBondContact O-N 2.9Å
129	N	38.2	Very low	50.7	Low	153 Å²	153	121.8 Å²	121.8	82%	0.818	67%	0.669	S	S	*	*			trans	-69.3	124.2	169	-82.7	-28.8	0	0	0	108.3	P127	P127-N129 VanDerWaalsContact C-N 3.27Å; P127-N129 PolarHBondContact O-N 3.45Å
130	D	34.2	Very low	48	Very low	152 Å²	152	127.8 Å²	127.8	81%	0.813	70%	0.699	S	S	*	*			trans	-67.4	161.3	-169.2	-66.3	-59.9	0	0	0	115.3	K128	K128-D130 PolarHBondContact O-N 2.9Å
131	A	31.2	Very low	45.2	Very low	96 Å²	96	131 Å²	131	79%	0.793	72%	0.723	S	S	*	*			trans	86.4	105.9	155.2	0	0	0	0	0	118
132	M	34.7	Very low	42.5	Very low	187 Å²	187	135.1 Å²	135.1	92%	0.921	74%	0.742	S	S	*	*				-166.9	125	77.6	-149.6	158.2	70.6	0	0	111.2
133	D	28.8	Very low	39.8	Very low	147 Å²	147	137.6 Å²	137.6	79%	0.786	75%	0.751	S	S	*	*			trans	-60.6	136.7	178.3	-69.4	-59.3	0	0	0	114.4
134	V	37.6	Very low	37.2	Very low	153 Å²	153	139.6 Å²	139.6	93%	0.927	76%	0.763	S	S	*	*				-140.6	122.5	122.6	-178.3	0	0	0	0	108.1
135	A	32.4	Very low	34.9	Very low	67 Å²	67	141 Å²	141	55%	0.554	77%	0.769	S	S	*	*			trans	-83.2	151.7	-168	0	0	0	0	0	114.5
136	N	27.8	Very low	32.6	Very low	145 Å²	145	144.6 Å²	144.6	78%	0.775	78%	0.776	S	S	*	*			trans	46.7	112.3	132.3	-60.9	-11.5	0	0	0	119.6
137	D	29.8	Very low	31	Very low	162 Å²	162	146.8 Å²	146.8	87%	0.866	79%	0.789	S	S	*	*				-166.2	98.9	94.8	-94.9	-22.9	0	0	0	109.4
138	V	29.1	Very low	29.8	Very low	120 Å²	120	148 Å²	148	73%	0.727	80%	0.795	S	S	*	*			trans	-114.8	100.5	165.2	-178.5	0	0	0	0	105.9	H140	V138-H140 PolarHBondContact O-N 3.32Å
139	D	28.8	Very low	28.7	Very low	147 Å²	147	145.4 Å²	145.4	79%	0.786	79%	0.79	S	S	*	*			trans	-70.8	106.5	171.8	-174.2	17.3	0	0	0	109.1	S141	D139-S141 PolarHBondContact O-N 2.92Å
140	H	26.2	Very low	27.9	Very low	174 Å²	174	146.8 Å²	146.8	81%	0.806	79%	0.792	S	S	*	*			trans	-79	95.4	170.3	-78	-61.7	0	0	0	109.4	V138	V138-H140 PolarHBondContact O-N 3.32Å
141	S	28.9	Very low	27.4	Very low	80 Å²	80	145.6 Å²	145.6	56%	0.559	79%	0.794	S	S	*	*			trans	-120.1	112.1	154.4	77.7	0	0	0	0	109.7	D139 K143	D139-S141 PolarHBondContact O-N 2.92Å; S141-K143 PolarHBondContact O-N 3.04Å
142	E	26.2	Very low	27.2	Very low	196 Å²	196	146.6 Å²	146.6	92%	0.916	80%	0.795	S	S	*	*			trans	-51.3	112.4	169.6	-67.3	171.3	140.2	0	0	109.9
143	K	24.9	Very low	26.9	Very low	177 Å²	177	144 Å²	144	77%	0.77	79%	0.789	S	S	*	*			trans	-115.6	98	160.7	-78.1	-174.5	179.8	175.3	0	108.5	S141 I145	S141-K143 PolarHBondContact O-N 3.04Å; K143-I145 PolarHBondContact O-N 3.4Å
144	V	24.5	Very low	26.7	Very low	132 Å²	132	144.2 Å²	144.2	80%	0.8	79%	0.791	S	S	*	*			trans	-53	104	156.5	176.9	0	0	0	0	106.8	E146	V144-E146 HydrophobicContact CG1-CG 4.45Å; V144-E146 PolarHBondContact O-N 2.57Å
145	I	25.9	Very low	26.4	Very low	145 Å²	145	146 Å²	146	74%	0.744	79%	0.789	S	S	*	*			trans	-83.9	91.7	172	-60.6	175.3	0	0	0	106.3	K143 M147	K143-I145 PolarHBondContact O-N 3.4Å; I145-M147 PolarHBondContact O-N 2.65Å
146	E	22.8	Very low	26.5	Very low	165 Å²	165	148.7 Å²	148.7	77%	0.771	79%	0.788	S	S	*	*			trans	-61.7	112.1	158.7	-82.8	-177.2	146.7	0	0	108.2	V144 T148	V144-E146 HydrophobicContact CG1-CG 4.45Å; V144-E146 PolarHBondContact O-N 2.57Å; E146-T148 PolarHBondContact O-N 3.3Å
147	M	25.3	Very low	26.7	Very low	185 Å²	185	150.8 Å²	150.8	91%	0.911	79%	0.793	S	S	*	*			trans	-70.9	96	173.5	-68.4	-177.7	67.7	0	0	108.8	I145	I145-M147 PolarHBondContact O-N 2.65Å
148	T	21.9	Very low	27.1	Very low	128 Å²	128	150.3 Å²	150.3	79%	0.785	79%	0.786	S	S	*	*			trans	-93	126.7	167.7	-34.4	0	0	0	0	109.1	E146	E146-T148 PolarHBondContact O-N 3.3Å
149	D	22.9	Very low	27.6	Very low	143 Å²	143	154.1 Å²	154.1	77%	0.765	79%	0.789	S	S	*	*			trans	-61.7	120.5	-177.5	-164.6	11.2	0	0	0	112.4
150	Q	22.6	Very low	27.9	Very low	181 Å²	181	151.8 Å²	151.8	85%	0.846	78%	0.784	S	S	*	*			trans	168.5	96.2	151.3	-94.9	158.3	76.1	0	0	110.8
151	C	23.8	Very low	28.3	Very low	128 Å²	128	147.9 Å²	147.9	87%	0.865	78%	0.776	S	S	*	*			trans	-141.2	112.2	158.6	-100.2	0	0	0	0	110.6
152	S	26.4	Very low	28.4	Very low	117 Å²	117	146.5 Å²	146.5	82%	0.818	77%	0.774	S	S	*	*			trans	-105.8	114.9	158.6	40.2	0	0	0	0	106.4
153	V	27.7	Very low	28.9	Very low	132 Å²	132	144.2 Å²	144.2	80%	0.8	78%	0.777	S	S	*	*			trans	-152.4	145.7	165.9	-168.8	0	0	0	0	109.9
154	D	26.2	Very low	30.1	Very low	152 Å²	152	139.3 Å²	139.3	81%	0.813	78%	0.776	S	S	*	*			trans	-61.6	177.2	-171	-60.4	-66.2	0	0	0	118
155	E	30.8	Very low	32	Very low	189 Å²	189	136.4 Å²	136.4	88%	0.883	76%	0.762	S	S	*	*			trans	-33	127.4	-175.9	-65.5	174.7	157.1	0	0	116.5
156	F	35	Very low	34.4	Very low	124 Å²	124	130.2 Å²	130.2	54%	0.544	73%	0.73	S	S	.	*	P	Polyproline II helix	trans	-62.1	130.7	-175.2	-56.4	-85.7	0	0	0	113.7	E158 Q176	F156-E158 PolarHBondContact O-N 3.3Å; F156-Q176 VanDerWaalsContact CZ-OE1 3.31Å
157	E	31.9	Very low	37.3	Very low	189 Å²	189	123.6 Å²	123.6	88%	0.883	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-66	126.6	173.6	-66.9	-165.4	158.7	0	0	111.8	Y159	E157-Y159 PolarHBondContact O-N 3.17Å
158	E	37.4	Very low	40.3	Very low	152 Å²	152	117.9 Å²	117.9	71%	0.71	67%	0.674	S	S	*	*	P	Polyproline II helix	trans	-72	121.7	174.2	-73.5	-174.4	154.3	0	0	111.2	F156 S160	F156-E158 PolarHBondContact O-N 3.3Å; E158-S160 VanDerWaalsContact C-N 3.32Å; E158-S160 PolarHBondContact O-N 3.06Å
159	Y	40	Very low	43.6	Very low	201 Å²	201	112.2 Å²	112.2	79%	0.788	64%	0.638	S	S	*	*			trans	-68.2	89.8	161.9	-80.1	-90	0	0	0	109.3	E157	E157-Y159 PolarHBondContact O-N 3.17Å
160	S	35.4	Very low	46.9	Very low	97 Å²	97	107.7 Å²	107.7	68%	0.678	62%	0.616	S	S	*	*			trans	-107	104.1	179.1	-176.9	0	0	0	0	111.3	E158	E158-S160 VanDerWaalsContact C-N 3.32Å; E158-S160 PolarHBondContact O-N 3.06Å
161	S	33.7	Very low	50.1	Low	92 Å²	92	99.2 Å²	99.2	64%	0.643	58%	0.577	S	S	*	*			trans	-108.4	82.9	171.5	-53.4	0	0	0	0	110.1	S165	S161-S165 WeakPolarHBondContact O-CB 3.09Å
162	G	31.6	Very low	53.1	Low	51 Å²	51	95.5 Å²	95.5	53%	0.526	55%	0.553	S	S	.	*	S	Bend	trans	74.5	161.4	163.5	0	0	0	0	0	118.6	G164 S165	G162-G164 PolarHBondContact O-N 2.72Å; G162-S165 PolarHBondContact O-N 2.73Å
163	P	35.5	Very low	56.2	Low	149 Å²	149	92.3 Å²	92.3	97%	0.968	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	93.7	-177.7	30.7	-31.9	0	0	0	110.6
164	G	50.7	Low	59.3	Low	73 Å²	73	86 Å²	86	75%	0.753	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	147.6	-17.9	-179.5	0	0	0	0	0	113.5	G162	G162-G164 PolarHBondContact O-N 2.72Å
165	S	65.2	Low	62.2	Low	72 Å²	72	81.9 Å²	81.9	50%	0.503	46%	0.462	S	S	.	.	P	Polyproline II helix	trans	-79.3	142.3	178.6	-170.4	0	0	0	0	112.3	S161 G162	S161-S165 WeakPolarHBondContact O-CB 3.09Å; G162-S165 PolarHBondContact O-N 2.73Å
166	L	76.6	Confident	65	Low	15 Å²	15	77.2 Å²	77.2	8%	0.079	44%	0.44	C	S	.	.	P	Polyproline II helix	trans	-65.9	140.7	172.1	-59.1	-179.2	0	0	0	109.8	M168 P260 L264 N268 Y285	L166-M168 HydrophobicContact CB-SD 4.43Å; L166-P260 HydrophobicContact CD1-CB 3.51Å; L166-P260 HydrophobicContact CD1-CG 3.96Å; L166-P260 HydrophobicContact CG-CB 4.23Å; L166-P260 HydrophobicContact CG-CG 4.13Å; L166-L264 HydrophobicContact CD1-CB 4.38Å; L166-N268 HydrophobicContact CD2-CB 3.72Å; L166-N268 VanDerWaalsContact CD2-CG 3.45Å; L166-Y285 HydrophobicContact CB-CD2 3.86Å; L166-Y285 HydrophobicContact CB-CE2 4.22Å; L166-Y285 HydrophobicContact CB-CG 4.33Å; L166-Y285 HydrophobicContact CD1-CD1 4.04Å; L166-Y285 HydrophobicContact CD1-CD2 4.19Å; L166-Y285 HydrophobicContact CD1-CE1 4.09Å; L166-Y285 HydrophobicContact CD1-CE2 4.26Å; L166-Y285 HydrophobicContact CD1-CG 4.09Å; L166-Y285 HydrophobicContact CD2-CD2 4.29Å; L166-Y285 HydrophobicContact CD2-CE2 3.79Å; L166-Y285 HydrophobicContact CG-CD2 4.33Å; L166-Y285 HydrophobicContact CG-CE2 4.31Å
167	S	83.8	Confident	67.5	Low	26 Å²	26	72.2 Å²	72.2	18%	0.182	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	129.4	171.6	178.4	0	0	0	0	108.7	K284 Y285	S167-K284 CarbonylContact O-C 3.48Å; S167-K284 VanDerWaalsContact O-CA 3.3Å; S167-K284 WeakPolarHBondContact O-CA 3.5Å; S167-Y285 PolarHBondContact O-N 3.13Å
168	M	88.3	Confident	70.1	Confident	64 Å²	64	63.4 Å²	63.4	32%	0.315	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	155	-172.5	-58.3	-66.5	-78	0	0	111.8	L166 L253 Y285 L287	L166-M168 HydrophobicContact CB-SD 4.43Å; M168-L253 HydrophobicContact CE-CD2 3.5Å; M168-L253 HydrophobicContact CE-CG 3.97Å; M168-L253 HydrophobicContact SD-CD2 4.03Å; M168-Y285 CarbonylContact C-O 3.55Å; M168-Y285 WeakPolarHBondContact CA-O 3.31Å; M168-L287 HydrophobicContact CE-CB 4.11Å; M168-L287 HydrophobicContact CE-CD1 3.47Å; M168-L287 VanDerWaalsContact CE-CD1 3.47Å; M168-L287 HydrophobicContact CE-CG 4.39Å
169	I	90.7	Very high	72.3	Confident	9 Å²	9	60.7 Å²	60.7	5%	0.046	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	137	170.8	-168.9	170	0	0	0	109.9	D173 L174 L177 I247 K284 Y285 L286 L287	I169-D173 HydrophobicContact CD1-CB 4.23Å; I169-D173 HydrophobicContact CG1-CB 3.7Å; I169-L174 HydrophobicContact CD1-CB 4.03Å; I169-L174 HydrophobicContact CD1-CD1 4.46Å; I169-L174 HydrophobicContact CG1-CB 4.32Å; I169-L177 HydrophobicContact CD1-CD2 4.2Å; I169-I247 HydrophobicContact CD1-CD1 4.04Å; I169-I247 HydrophobicContact CG2-CD1 4.42Å; I169-I247 HydrophobicContact CG2-CG2 4.02Å; I169-K284 HydrophobicContact CB-CB 4.14Å; I169-K284 HydrophobicContact CB-CD 4.39Å; I169-K284 HydrophobicContact CD1-CD 4.33Å; I169-K284 HydrophobicContact CG2-CB 4.11Å; I169-Y285 PolarHBondContact N-O 3.4Å; I169-L286 HydrophobicContact CG2-CB 4.47Å; I169-L286 HydrophobicContact CG2-CD1 4.28Å; I169-L287 PolarHBondContact O-N 3.02Å
170	T	91.3	Very high	74.2	Confident	48 Å²	48	59.4 Å²	59.4	29%	0.294	36%	0.363	S	S	.	.			trans	-80.4	161.6	176.3	73.4	0	0	0	0	111.3	S172 D173 L174	T170-S172 PolarHBondContact O-N 3.13Å; T170-D173 WeakPolarHBondContact CB-OD2 3.41Å; T170-D173 WeakPolarHBondContact CG2-OD2 3.29Å; T170-D173 PolarHBondContact O-N 2.86Å; T170-D173 PolarHBondContact OG1-N 2.93Å; T170-D173 VanDerWaalsContact OG1-N 3.12Å; T170-D173 PolarHBondContact OG1-OD2 3.07Å; T170-L174 WeakPolarHBondContact O-CB 3.14Å; T170-L174 PolarHBondContact O-N 2.98Å
171	S	89.9	Confident	76.2	Confident	4 Å²	4	56.5 Å²	56.5	3%	0.028	34%	0.34	C	S	.	.	H	α-helix	trans	-59.5	-35.1	173.9	-51.2	0	0	0	0	112.1	Y175 N292 W293 Y297	S171-Y175 WeakPolarHBondContact O-CB 3.49Å; S171-Y175 PolarHBondContact O-N 2.82Å; S171-N292 PolarHBondContact OG-ND2 2.99Å; S171-W293 WeakPolarHBondContact O-CZ3 3.37Å; S171-Y297 VanDerWaalsContact O-CE2 3.3Å; S171-Y297 WeakPolarHBondContact O-CE2 3.46Å
172	S	87.9	Confident	78.1	Confident	50 Å²	50	55.3 Å²	55.3	35%	0.35	33%	0.325	S	S	.	.	H	α-helix	trans	-65.9	-46.3	176.2	179	0	0	0	0	112	T170 L174 Y175 Q176 Y297	T170-S172 PolarHBondContact O-N 3.13Å; S172-L174 PolarHBondContact O-N 2.99Å; S172-Y175 WeakPolarHBondContact O-CB 3.38Å; S172-Y175 PolarHBondContact O-N 3.17Å; S172-Q176 WeakPolarHBondContact O-CG 3.37Å; S172-Q176 PolarHBondContact O-N 3.45Å; S172-Y297 WeakPolarHBondContact CA-OH 3.15Å
173	D	90.5	Very high	80.2	Confident	49 Å²	49	56.7 Å²	56.7	26%	0.262	33%	0.326	S	S	.	.	H	α-helix	trans	-68.1	-38.4	-179.5	-56.2	-35.5	0	0	0	111.5	I169 T170 Y175 Q176 L177	I169-D173 HydrophobicContact CD1-CB 4.23Å; I169-D173 HydrophobicContact CG1-CB 3.7Å; T170-D173 WeakPolarHBondContact CB-OD2 3.41Å; T170-D173 WeakPolarHBondContact CG2-OD2 3.29Å; T170-D173 PolarHBondContact O-N 2.86Å; T170-D173 PolarHBondContact OG1-N 2.93Å; T170-D173 VanDerWaalsContact OG1-N 3.12Å; T170-D173 PolarHBondContact OG1-OD2 3.07Å; D173-Y175 VanDerWaalsContact C-N 3.31Å; D173-Y175 PolarHBondContact O-N 3.25Å; D173-Q176 PolarHBondContact O-N 3.5Å; D173-L177 VanDerWaalsContact O-CB 3.3Å; D173-L177 WeakPolarHBondContact O-CB 3.43Å; D173-L177 PolarHBondContact O-N 3.35Å
174	L	92	Very high	82.5	Confident	0 Å²	0	52 Å²	52	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-61.9	-41.9	173.5	176.9	59.4	0	0	0	111	I169 T170 S172 L177 I178 I201 I247 L286 W293	I169-L174 HydrophobicContact CD1-CB 4.03Å; I169-L174 HydrophobicContact CD1-CD1 4.46Å; I169-L174 HydrophobicContact CG1-CB 4.32Å; T170-L174 WeakPolarHBondContact O-CB 3.14Å; T170-L174 PolarHBondContact O-N 2.98Å; S172-L174 PolarHBondContact O-N 2.99Å; L174-L177 PolarHBondContact O-N 2.91Å; L174-I178 HydrophobicContact CD1-CD1 3.99Å; L174-I178 HydrophobicContact CD1-CG1 4.2Å; L174-I178 HydrophobicContact CG-CD1 3.9Å; L174-I178 VanDerWaalsContact O-CG1 3.27Å; L174-I178 WeakPolarHBondContact O-CG1 3.13Å; L174-I178 PolarHBondContact O-N 2.99Å; L174-I201 HydrophobicContact CD2-CD1 4.31Å; L174-I247 HydrophobicContact CD1-CB 4.45Å; L174-I247 HydrophobicContact CD1-CD1 4.5Å; L174-I247 HydrophobicContact CD1-CG1 3.89Å; L174-I247 HydrophobicContact CD1-CG2 4.12Å; L174-I247 HydrophobicContact CD2-CG2 4.25Å; L174-L286 HydrophobicContact CB-CD1 4.28Å; L174-L286 HydrophobicContact CD2-CD1 3.79Å; L174-L286 HydrophobicContact CD2-CD2 3.96Å; L174-L286 HydrophobicContact CD2-CG 4.42Å; L174-W293 HydrophobicContact CB-CZ3 3.88Å; L174-W293 HydrophobicContact CD2-CE3 3.8Å; L174-W293 HydrophobicContact CD2-CH2 4.33Å; L174-W293 HydrophobicContact CD2-CZ3 3.64Å; L174-W293 HydrophobicContact CG-CE3 4.31Å; L174-W293 HydrophobicContact CG-CH2 4.16Å; L174-W293 HydrophobicContact CG-CZ3 3.64Å
175	Y	89.2	Confident	84.4	Confident	66 Å²	66	48.7 Å²	48.7	26%	0.259	26%	0.258	S	S	.	.	H	α-helix	trans	-61.3	-47.9	175.8	177.8	-103.6	0	0	0	111.8	S171 S172 D173 L177 I178 Q179 W293 Y297 F300	S171-Y175 WeakPolarHBondContact O-CB 3.49Å; S171-Y175 PolarHBondContact O-N 2.82Å; S172-Y175 WeakPolarHBondContact O-CB 3.38Å; S172-Y175 PolarHBondContact O-N 3.17Å; D173-Y175 VanDerWaalsContact C-N 3.31Å; D173-Y175 PolarHBondContact O-N 3.25Å; Y175-L177 VanDerWaalsContact C-N 3.3Å; Y175-L177 PolarHBondContact O-N 2.83Å; Y175-I178 PolarHBondContact O-N 3.28Å; Y175-Q179 HydrophobicContact CD1-CG 4.49Å; Y175-Q179 HydrophobicContact CE1-CG 4.06Å; Y175-Q179 HydrophobicContact CE2-CG 4.31Å; Y175-Q179 WeakPolarHBondContact O-CG 3.25Å; Y175-Q179 PolarHBondContact O-N 3.36Å; Y175-Q179 PolarHBondContact OH-NE2 3.43Å; Y175-W293 HydrophobicContact CD2-CH2 4.36Å; Y175-Y297 AromaticContact CD1-CE1 3.69Å; Y175-Y297 HydrophobicContact CD1-CE1 3.69Å; Y175-Y297 AromaticContact CD2-CD1 3.65Å; Y175-Y297 HydrophobicContact CD2-CD1 3.65Å; Y175-Y297 AromaticContact CD2-CE1 3.65Å; Y175-Y297 HydrophobicContact CD2-CE1 3.65Å; Y175-Y297 HydrophobicContact CD2-CG 4.29Å; Y175-Y297 HydrophobicContact CE1-CE1 4.15Å; Y175-Y297 HydrophobicContact CE2-CD1 4.06Å; Y175-Y297 HydrophobicContact CE2-CE1 4.13Å; Y175-Y297 AromaticContact CG-CD1 3.9Å; Y175-Y297 HydrophobicContact CG-CD1 3.9Å; Y175-Y297 AromaticContact CG-CE1 3.4Å; Y175-Y297 HydrophobicContact CG-CE1 3.4Å; Y175-Y297 HydrophobicContact CG-CE2 4.37Å; Y175-Y297 AromaticContact CG-CZ 3.68Å; Y175-F300 HydrophobicContact CD2-CD2 4.45Å; Y175-F300 HydrophobicContact CD2-CE2 4.31Å; Y175-F300 HydrophobicContact CD2-CZ 4.47Å; Y175-F300 HydrophobicContact CE2-CD1 4.49Å; Y175-F300 HydrophobicContact CE2-CD2 4.02Å; Y175-F300 AromaticContact CE2-CE1 3.98Å; Y175-F300 HydrophobicContact CE2-CE1 3.98Å; Y175-F300 AromaticContact CE2-CE2 3.46Å; Y175-F300 HydrophobicContact CE2-CE2 3.46Å; Y175-F300 VanDerWaalsContact CE2-CE2 3.46Å; Y175-F300 AromaticContact CE2-CZ 3.46Å; Y175-F300 HydrophobicContact CE2-CZ 3.46Å; Y175-F300 VanDerWaalsContact CE2-CZ 3.46Å
176	Q	88.1	Confident	85.6	Confident	90 Å²	90	45.3 Å²	45.3	42%	0.421	23%	0.234	S	C	.	.	H	α-helix	trans	-61.2	-39.1	176.4	-68.6	-178.6	14.8	0	0	112	F156 S172 D173 Q179 K180	F156-Q176 VanDerWaalsContact CZ-OE1 3.31Å; S172-Q176 WeakPolarHBondContact O-CG 3.37Å; S172-Q176 PolarHBondContact O-N 3.45Å; D173-Q176 PolarHBondContact O-N 3.5Å; Q176-Q179 PolarHBondContact O-N 2.86Å; Q176-Q179 VanDerWaalsContact O-N 3.16Å; Q176-K180 WeakPolarHBondContact O-CB 3.41Å; Q176-K180 PolarHBondContact O-N 2.78Å
177	L	87.5	Confident	86.4	Confident	20 Å²	20	44.6 Å²	44.6	11%	0.105	23%	0.23	C	C	.	.	H	α-helix	trans	-63.3	-44.7	176.4	-165.3	67.1	0	0	0	111.6	I169 D173 L174 Y175 Q179 K180 D181 I185 H245 I247	I169-L177 HydrophobicContact CD1-CD2 4.2Å; D173-L177 VanDerWaalsContact O-CB 3.3Å; D173-L177 WeakPolarHBondContact O-CB 3.43Å; D173-L177 PolarHBondContact O-N 3.35Å; L174-L177 PolarHBondContact O-N 2.91Å; Y175-L177 VanDerWaalsContact C-N 3.3Å; Y175-L177 PolarHBondContact O-N 2.83Å; L177-Q179 VanDerWaalsContact C-N 3.25Å; L177-Q179 PolarHBondContact O-N 2.96Å; L177-K180 PolarHBondContact O-N 3.31Å; L177-K180 VanDerWaalsContact O-N 3.17Å; L177-D181 PolarHBondContact O-N 2.87Å; L177-I185 HydrophobicContact CB-CD1 4.34Å; L177-I185 HydrophobicContact CD2-CD1 4.21Å; L177-I185 HydrophobicContact CD2-CG1 4.23Å; L177-I185 HydrophobicContact CG-CD1 3.78Å; L177-I185 HydrophobicContact CG-CG1 4.18Å; L177-I185 WeakPolarHBondContact O-CD1 3.34Å; L177-H245 HydrophobicContact CD2-CB 3.88Å; L177-I247 HydrophobicContact CD2-CD1 4.27Å
178	I	87.2	Confident	86.9	Confident	4 Å²	4	43.3 Å²	43.3	2%	0.021	22%	0.222	C	C	.	.	H	α-helix	trans	-62.8	-31.6	174	-68.5	164.8	0	0	0	111	L174 Y175 Q182 I185 I201 L203 W293	L174-I178 HydrophobicContact CD1-CD1 3.99Å; L174-I178 HydrophobicContact CD1-CG1 4.2Å; L174-I178 HydrophobicContact CG-CD1 3.9Å; L174-I178 VanDerWaalsContact O-CG1 3.27Å; L174-I178 WeakPolarHBondContact O-CG1 3.13Å; L174-I178 PolarHBondContact O-N 2.99Å; Y175-I178 PolarHBondContact O-N 3.28Å; I178-Q182 WeakPolarHBondContact O-CG 3.3Å; I178-Q182 PolarHBondContact O-NE2 2.95Å; I178-Q182 VanDerWaalsContact O-NE2 3.1Å; I178-I185 HydrophobicContact CG1-CD1 4.1Å; I178-I201 HydrophobicContact CD1-CG2 4.45Å; I178-L203 HydrophobicContact CD1-CD2 3.7Å; I178-L203 HydrophobicContact CG1-CD2 3.86Å; I178-L203 HydrophobicContact CG2-CD2 4.24Å; I178-W293 HydrophobicContact CD1-CH2 3.7Å; I178-W293 HydrophobicContact CD1-CZ2 4.15Å
179	Q	83.6	Confident	87.2	Confident	95 Å²	95	40.3 Å²	40.3	44%	0.444	21%	0.207	S	C	.	.	H	α-helix	trans	-74.8	-35.2	174.1	-63.9	-57.2	-29.3	0	0	112.4	Y175 Q176 L177	Y175-Q179 HydrophobicContact CD1-CG 4.49Å; Y175-Q179 HydrophobicContact CE1-CG 4.06Å; Y175-Q179 HydrophobicContact CE2-CG 4.31Å; Y175-Q179 WeakPolarHBondContact O-CG 3.25Å; Y175-Q179 PolarHBondContact O-N 3.36Å; Y175-Q179 PolarHBondContact OH-NE2 3.43Å; Q176-Q179 PolarHBondContact O-N 2.86Å; Q176-Q179 VanDerWaalsContact O-N 3.16Å; L177-Q179 VanDerWaalsContact C-N 3.25Å; L177-Q179 PolarHBondContact O-N 2.96Å
180	K	80.3	Confident	87.3	Confident	174 Å²	174	39.9 Å²	39.9	76%	0.757	20%	0.204	S	C	*	.	H	α-helix	trans	-83	-44.1	-172.9	-170.8	178	179.7	179.9	0	114.5	Q176 L177	Q176-K180 WeakPolarHBondContact O-CB 3.41Å; Q176-K180 PolarHBondContact O-N 2.78Å; L177-K180 PolarHBondContact O-N 3.31Å; L177-K180 VanDerWaalsContact O-N 3.17Å
181	D	76.6	Confident	87.3	Confident	35 Å²	35	37.9 Å²	37.9	19%	0.187	19%	0.191	C	C	.	.			trans	-140.9	64.5	-168.6	-167	7.4	0	0	0	113.3	L177 S183 N184 I185	L177-D181 PolarHBondContact O-N 2.87Å; D181-S183 VanDerWaalsContact C-N 3.31Å; D181-S183 PolarHBondContact O-N 3.28Å; D181-N184 PolarHBondContact O-N 3.08Å; D181-N184 PolarHBondContact OD1-ND2 3.05Å; D181-N184 WeakPolarHBondContact OD2-CB 3.21Å; D181-N184 PolarHBondContact OD2-ND2 3.12Å; D181-I185 VanDerWaalsContact O-CD1 3.22Å; D181-I185 WeakPolarHBondContact O-CD1 3.46Å; D181-I185 VanDerWaalsContact O-CG1 3.29Å; D181-I185 WeakPolarHBondContact O-CG1 3.45Å
182	Q	74.1	Confident	87.2	Confident	68 Å²	68	40.2 Å²	40.2	32%	0.318	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-28.9	-172.7	-70.4	-179.9	6	0	0	115.5	I178	I178-Q182 WeakPolarHBondContact O-CG 3.3Å; I178-Q182 PolarHBondContact O-NE2 2.95Å; I178-Q182 VanDerWaalsContact O-NE2 3.1Å
183	S	75.1	Confident	87.1	Confident	80 Å²	80	38.8 Å²	38.8	56%	0.559	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-19.8	-173.7	47.5	0	0	0	0	112.8	D181	D181-S183 VanDerWaalsContact C-N 3.31Å; D181-S183 PolarHBondContact O-N 3.28Å
184	N	83.9	Confident	86.8	Confident	50 Å²	50	41.7 Å²	41.7	27%	0.267	21%	0.205	S	C	.	.	S	Bend	trans	-107.4	11.8	-174.5	-65.5	-41.2	0	0	0	114.4	D181 A243 Q244 H245	D181-N184 PolarHBondContact O-N 3.08Å; D181-N184 PolarHBondContact OD1-ND2 3.05Å; D181-N184 WeakPolarHBondContact OD2-CB 3.21Å; D181-N184 PolarHBondContact OD2-ND2 3.12Å; N184-A243 CarbonylContact O-C 3.52Å; N184-A243 WeakPolarHBondContact O-CA 3.25Å; N184-A243 WeakPolarHBondContact O-CB 3.23Å; N184-Q244 HydrophobicContact CB-CB 3.97Å; N184-Q244 HydrophobicContact CB-CG 3.99Å; N184-Q244 PolarHBondContact O-N 2.65Å; N184-H245 PolarHBondContact O-N 3.31Å
185	I	89.8	Confident	86.6	Confident	4 Å²	4	41.8 Å²	41.8	2%	0.021	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	133.9	178.8	-60.5	161.3	0	0	0	110.1	L177 I178 D181 V187 S207 H245 I247	L177-I185 HydrophobicContact CB-CD1 4.34Å; L177-I185 HydrophobicContact CD2-CD1 4.21Å; L177-I185 HydrophobicContact CD2-CG1 4.23Å; L177-I185 HydrophobicContact CG-CD1 3.78Å; L177-I185 HydrophobicContact CG-CG1 4.18Å; L177-I185 WeakPolarHBondContact O-CD1 3.34Å; I178-I185 HydrophobicContact CG1-CD1 4.1Å; D181-I185 VanDerWaalsContact O-CD1 3.22Å; D181-I185 WeakPolarHBondContact O-CD1 3.46Å; D181-I185 VanDerWaalsContact O-CG1 3.29Å; D181-I185 WeakPolarHBondContact O-CG1 3.45Å; I185-V187 HydrophobicContact CG2-CG2 4.09Å; I185-S207 WeakPolarHBondContact O-CB 3.38Å; I185-H245 CarbonylContact C-O 3.58Å; I185-H245 WeakPolarHBondContact CA-O 3.34Å; I185-H245 HydrophobicContact CG1-CB 4.25Å; I185-I247 HydrophobicContact CG2-CG1 4.22Å
186	L	91.6	Very high	86.6	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	123.8	165.3	174.1	68	0	0	0	109	I188 S207 V209 V236 R240 A243 H245 V246 I247	L186-I188 HydrophobicContact CD2-CG1 4.35Å; L186-I188 HydrophobicContact CG-CG1 4.34Å; L186-S207 WeakPolarHBondContact CA-O 3.34Å; L186-S207 WeakPolarHBondContact CD1-O 3.3Å; L186-V209 HydrophobicContact CD1-CG1 4.11Å; L186-V236 HydrophobicContact CD1-CG1 4.09Å; L186-R240 HydrophobicContact CD2-CB 3.49Å; L186-R240 VanDerWaalsContact CD2-CB 3.49Å; L186-A243 HydrophobicContact CB-CB 3.79Å; L186-H245 PolarHBondContact N-O 3.36Å; L186-V246 HydrophobicContact CB-CG2 4.48Å; L186-V246 HydrophobicContact CD2-CG2 4.5Å; L186-V246 CarbonylContact O-C 3.51Å; L186-V246 WeakPolarHBondContact O-CA 2.97Å; L186-I247 PolarHBondContact O-N 2.94Å
187	V	93.9	Very high	86.4	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	124	172.5	177.6	0	0	0	0	109.4	I185 L203 S207 I208 V209 I247 V249	I185-V187 HydrophobicContact CG2-CG2 4.09Å; V187-L203 HydrophobicContact CB-CD1 4.02Å; V187-L203 HydrophobicContact CG2-CD1 3.63Å; V187-S207 PolarHBondContact N-O 3.15Å; V187-I208 HydrophobicContact CB-CB 4.32Å; V187-I208 HydrophobicContact CB-CD1 4.29Å; V187-I208 HydrophobicContact CB-CG1 4Å; V187-I208 HydrophobicContact CG1-CD1 3.92Å; V187-I208 HydrophobicContact CG1-CG1 3.97Å; V187-I208 CarbonylContact O-C 3.6Å; V187-I208 VanDerWaalsContact O-CA 3.3Å; V187-I208 WeakPolarHBondContact O-CA 3.46Å; V187-V209 PolarHBondContact O-N 3.47Å; V187-I247 CarbonylContact C-O 3.6Å; V187-I247 WeakPolarHBondContact CA-O 3.29Å; V187-I247 HydrophobicContact CG2-CB 4.28Å; V187-V249 HydrophobicContact CG1-CB 4.49Å; V187-V249 HydrophobicContact CG1-CG2 3.7Å
188	I	94.4	Very high	86.1	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	107.6	173.7	-62.5	175.2	0	0	0	107.4	L186 V190 V209 I211 F237 V246 I247 V248 V249 L267 L271	L186-I188 HydrophobicContact CD2-CG1 4.35Å; L186-I188 HydrophobicContact CG-CG1 4.34Å; I188-V190 HydrophobicContact CG2-CG1 4.15Å; I188-V209 WeakPolarHBondContact CA-O 2.99Å; I188-V209 HydrophobicContact CB-CG1 4.41Å; I188-V209 HydrophobicContact CG1-CG1 3.88Å; I188-I211 HydrophobicContact CG2-CB 4.27Å; I188-I211 HydrophobicContact CG2-CD1 3.49Å; I188-I211 VanDerWaalsContact CG2-CD1 3.49Å; I188-I211 HydrophobicContact CG2-CG1 3.81Å; I188-F237 HydrophobicContact CD1-CD2 4.42Å; I188-F237 HydrophobicContact CD1-CE2 3.93Å; I188-V246 HydrophobicContact CD1-CG1 3.55Å; I188-V246 HydrophobicContact CG1-CG1 4.16Å; I188-I247 PolarHBondContact N-O 3.08Å; I188-V248 HydrophobicContact CB-CG2 4.35Å; I188-V248 CarbonylContact O-C 3.6Å; I188-V248 WeakPolarHBondContact O-CA 3.42Å; I188-V249 PolarHBondContact O-N 3.26Å; I188-L267 HydrophobicContact CG2-CD2 4.49Å; I188-L271 HydrophobicContact CD1-CD1 4.18Å
189	D	94	Very high	86.1	Confident	0 Å²	0	42 Å²	42	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	115.8	176.3	-167.6	-42.5	0	0	0	109.4	R191 F196 V209 N210 I211 V249	D189-R191 WeakPolarHBondContact OD1-CB 3.2Å; D189-R191 VanDerWaalsContact OD1-CG 3.25Å; D189-R191 WeakPolarHBondContact OD1-CG 3.1Å; D189-R191 IonicContact OD1-CZ 3.2Å; D189-R191 PolarHBondContact OD1-N 3.25Å; D189-R191 IonicContact OD1-NE 2.72Å; D189-R191 PolarHBondContact OD1-NE 3.35Å; D189-R191 IonicContact OD1-NH2 3.36Å; D189-R191 IonicContact OD2-CZ 2.7Å; D189-R191 IonicContact OD2-NE 3.88Å; D189-R191 PolarHBondContact OD2-NE 3.4Å; D189-R191 VanDerWaalsContact OD2-NE 3.13Å; D189-R191 IonicContact OD2-NH2 2.83Å; D189-R191 PolarHBondContact OD2-NH2 3.28Å; D189-F196 HydrophobicContact CB-CD2 3.78Å; D189-F196 HydrophobicContact CB-CE2 3.95Å; D189-F196 WeakPolarHBondContact OD2-CD2 3.3Å; D189-V209 PolarHBondContact N-O 2.94Å; D189-N210 CarbonylContact O-C 3.45Å; D189-N210 VanDerWaalsContact O-CA 3.29Å; D189-N210 WeakPolarHBondContact O-CA 3.45Å; D189-N210 PolarHBondContact O-ND2 3.11Å; D189-I211 PolarHBondContact O-N 2.95Å; D189-V249 WeakPolarHBondContact CA-O 3.48Å
190	V	92.8	Very high	86.3	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.213	C	C	.	.			trans	-93.2	5.3	-177	-60.2	0	0	0	0	113.7	I188 I211 P213 I216 V248 V249 D250 L264 L267	I188-V190 HydrophobicContact CG2-CG1 4.15Å; V190-I211 WeakPolarHBondContact CA-O 3.48Å; V190-P213 VanDerWaalsContact O-CD 3.25Å; V190-P213 WeakPolarHBondContact O-CD 3.48Å; V190-P213 VanDerWaalsContact O-CG 3.23Å; V190-P213 WeakPolarHBondContact O-CG 3.46Å; V190-I216 HydrophobicContact CB-CD1 4.42Å; V190-I216 HydrophobicContact CG1-CD1 4.07Å; V190-V248 HydrophobicContact CG1-CG1 3.85Å; V190-V249 WeakPolarHBondContact CG2-O 3.47Å; V190-V249 PolarHBondContact N-O 3.02Å; V190-D250 HydrophobicContact CG2-CB 3.79Å; V190-L264 HydrophobicContact CG2-CD2 3.94Å; V190-L267 HydrophobicContact CG1-CD2 3.45Å; V190-L267 VanDerWaalsContact CG1-CD2 3.45Å
191	R	91	Very high	86.7	Confident	6 Å²	6	33 Å²	33	2%	0.023	18%	0.178	C	C	.	.	S	Bend	trans	-69.4	166.1	178.6	-60.5	179.2	-62.9	143.3	-0.9	111.5	D189 S199 N210 E251 F290 Y306	D189-R191 WeakPolarHBondContact OD1-CB 3.2Å; D189-R191 VanDerWaalsContact OD1-CG 3.25Å; D189-R191 WeakPolarHBondContact OD1-CG 3.1Å; D189-R191 IonicContact OD1-CZ 3.2Å; D189-R191 PolarHBondContact OD1-N 3.25Å; D189-R191 IonicContact OD1-NE 2.72Å; D189-R191 PolarHBondContact OD1-NE 3.35Å; D189-R191 IonicContact OD1-NH2 3.36Å; D189-R191 IonicContact OD2-CZ 2.7Å; D189-R191 IonicContact OD2-NE 3.88Å; D189-R191 PolarHBondContact OD2-NE 3.4Å; D189-R191 VanDerWaalsContact OD2-NE 3.13Å; D189-R191 IonicContact OD2-NH2 2.83Å; D189-R191 PolarHBondContact OD2-NH2 3.28Å; R191-S199 PolarHBondContact NH2-O 3.06Å; R191-N210 PolarHBondContact O-ND2 2.96Å; R191-E251 HydrophobicContact CG-CB 4.07Å; R191-F290 VanDerWaalsContact CZ-CD1 3.42Å; R191-F290 VanDerWaalsContact NH1-CE1 3.34Å; R191-Y306 PolarHBondContact NH1-OH 3.39Å
192	N	88.5	Confident	87	Confident	53 Å²	53	36 Å²	36	28%	0.283	19%	0.189	S	C	.	.			trans	-56.1	138.9	173.5	-73.3	-34.6	0	0	0	110.7	E194 D195 F196	N192-E194 PolarHBondContact O-N 3.4Å; N192-E194 VanDerWaalsContact O-N 3.13Å; N192-D195 HydrophobicContact CB-CB 4.39Å; N192-D195 WeakPolarHBondContact O-CA 3.29Å; N192-D195 PolarHBondContact O-N 2.81Å; N192-F196 PolarHBondContact O-N 3.41Å
193	P	86	Confident	87.4	Confident	21 Å²	21	34.1 Å²	34.1	14%	0.136	18%	0.181	C	C	.	.	H	α-helix	trans	-59.2	-26.7	-178.5	13.2	-23.1	0	0	0	113.3	A197 N210 P212	P193-A197 WeakPolarHBondContact O-CB 3.48Å; P193-A197 PolarHBondContact O-N 3.41Å; P193-N210 WeakPolarHBondContact CA-OD1 3.42Å; P193-N210 WeakPolarHBondContact CB-OD1 3.34Å; P193-P212 HydrophobicContact CB-CG 4.4Å; P193-P212 HydrophobicContact CG-CB 4.16Å; P193-P212 HydrophobicContact CG-CG 3.84Å
194	E	83.7	Confident	87	Confident	110 Å²	110	34.5 Å²	34.5	51%	0.514	18%	0.182	S	C	.	.	H	α-helix	trans	-64.7	-41.5	173.1	-60.8	72.7	-156.4	0	0	111.4	N192 K198	N192-E194 PolarHBondContact O-N 3.4Å; N192-E194 VanDerWaalsContact O-N 3.13Å; E194-K198 WeakPolarHBondContact O-CG 3.35Å; E194-K198 PolarHBondContact O-N 2.99Å
195	D	86.5	Confident	86.3	Confident	1 Å²	1	36.1 Å²	36.1	1%	0.005	19%	0.188	C	C	.	.	H	α-helix	trans	-78.5	-35.7	-179.1	-75.1	-29.9	0	0	0	111.9	N192 K198 S199 Y306 T309	N192-D195 HydrophobicContact CB-CB 4.39Å; N192-D195 WeakPolarHBondContact O-CA 3.29Å; N192-D195 PolarHBondContact O-N 2.81Å; D195-K198 PolarHBondContact O-N 2.89Å; D195-K198 IonicContact OD1-NZ 3.12Å; D195-K198 PolarHBondContact OD1-NZ 2.83Å; D195-S199 PolarHBondContact O-N 3.38Å; D195-Y306 HydrophobicContact CB-CE2 3.72Å; D195-T309 PolarHBondContact OD2-OG1 3.43Å
196	F	89.5	Confident	85.2	Confident	24 Å²	24	36.9 Å²	36.9	11%	0.105	20%	0.196	C	C	.	.	H	α-helix	trans	-63	-41.9	168.2	176.2	-100.8	0	0	0	112.8	D189 N192 K198 S199 R200 I208 N210	D189-F196 HydrophobicContact CB-CD2 3.78Å; D189-F196 HydrophobicContact CB-CE2 3.95Å; D189-F196 WeakPolarHBondContact OD2-CD2 3.3Å; N192-F196 PolarHBondContact O-N 3.41Å; F196-K198 VanDerWaalsContact C-N 3.3Å; F196-K198 PolarHBondContact O-N 2.81Å; F196-S199 CarbonylContact O-C 3.46Å; F196-S199 PolarHBondContact O-N 2.62Å; F196-R200 HydrophobicContact CD2-CB 3.94Å; F196-R200 HydrophobicContact CE2-CB 3.64Å; F196-R200 HydrophobicContact CZ-CB 4.18Å; F196-I208 HydrophobicContact CE2-CD1 3.94Å; F196-I208 HydrophobicContact CE2-CG1 3.94Å; F196-I208 HydrophobicContact CZ-CG1 4.37Å; F196-N210 HydrophobicContact CB-CB 4.25Å; F196-N210 HydrophobicContact CD1-CB 3.52Å; F196-N210 HydrophobicContact CD2-CB 3.89Å; F196-N210 HydrophobicContact CE1-CB 3.7Å; F196-N210 HydrophobicContact CE2-CB 4.05Å; F196-N210 HydrophobicContact CG-CB 3.61Å; F196-N210 HydrophobicContact CZ-CB 3.95Å
197	A	84.4	Confident	84.8	Confident	79 Å²	79	37.2 Å²	37.2	65%	0.653	20%	0.198	S	C	*	.	H	α-helix	trans	-65.8	-34.2	177.9	0	0	0	0	0	112	P193	P193-A197 WeakPolarHBondContact O-CB 3.48Å; P193-A197 PolarHBondContact O-N 3.41Å
198	K	82.3	Confident	84.7	Confident	83 Å²	83	37.8 Å²	37.8	36%	0.361	20%	0.201	S	C	.	.	H	α-helix	trans	-64.3	-50	174	-72.8	170.5	-165.1	163.3	0	111.7	E194 D195 F196 S303	E194-K198 WeakPolarHBondContact O-CG 3.35Å; E194-K198 PolarHBondContact O-N 2.99Å; D195-K198 PolarHBondContact O-N 2.89Å; D195-K198 IonicContact OD1-NZ 3.12Å; D195-K198 PolarHBondContact OD1-NZ 2.83Å; F196-K198 VanDerWaalsContact C-N 3.3Å; F196-K198 PolarHBondContact O-N 2.81Å; K198-S303 WeakPolarHBondContact O-CB 3.46Å
199	S	86.4	Confident	84.6	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.201	C	C	.	.			trans	-151.6	139	178.8	-164.6	0	0	0	0	112	R191 D195 F196 T302 S303	R191-S199 PolarHBondContact NH2-O 3.06Å; D195-S199 PolarHBondContact O-N 3.38Å; F196-S199 CarbonylContact O-C 3.46Å; F196-S199 PolarHBondContact O-N 2.62Å; S199-T302 WeakPolarHBondContact CA-OG1 3.39Å; S199-S303 WeakPolarHBondContact CB-O 3.21Å; S199-S303 PolarHBondContact OG-N 2.86Å; S199-S303 PolarHBondContact OG-O 2.98Å
200	R	87.8	Confident	84.6	Confident	77 Å²	77	38 Å²	38	29%	0.291	20%	0.203	S	C	.	.			trans	-139.3	158.1	177.6	64.8	-175.3	-178.1	-164.4	-0	110.8	F196 K202 I208 C301 T302	F196-R200 HydrophobicContact CD2-CB 3.94Å; F196-R200 HydrophobicContact CE2-CB 3.64Å; F196-R200 HydrophobicContact CZ-CB 4.18Å; R200-K202 PolarHBondContact O-N 2.81Å; R200-I208 HydrophobicContact CB-CD1 4.2Å; R200-C301 CarbonylContact O-C 3.55Å; R200-C301 WeakPolarHBondContact O-CA 3.34Å; R200-T302 HydrophobicContact CG-CG2 3.45Å; R200-T302 VanDerWaalsContact CG-CG2 3.45Å; R200-T302 WeakPolarHBondContact CG-OG1 3.41Å; R200-T302 PolarHBondContact N-OG1 3.28Å; R200-T302 PolarHBondContact O-N 2.86Å; R200-T302 PolarHBondContact O-OG1 3.37Å
201	I	89.6	Confident	84.7	Confident	1 Å²	1	38 Å²	38	1%	0.005	20%	0.203	C	C	.	.	B	Isolated β-bridge	trans	-64.3	126.1	173.5	-55.8	-176.3	0	0	0	108.6	L174 I178 L203 I208 V249 L286 F290 W293 F300	L174-I201 HydrophobicContact CD2-CD1 4.31Å; I178-I201 HydrophobicContact CD1-CG2 4.45Å; I201-L203 HydrophobicContact CG2-CD2 4.27Å; I201-L203 HydrophobicContact CG2-CG 4.49Å; I201-L203 PolarHBondContact O-N 3.02Å; I201-I208 HydrophobicContact CB-CD1 4.14Å; I201-V249 HydrophobicContact CD1-CG2 4.11Å; I201-L286 HydrophobicContact CD1-CD2 4.47Å; I201-F290 HydrophobicContact CG1-CD2 3.98Å; I201-F290 HydrophobicContact CG1-CE2 3.79Å; I201-W293 HydrophobicContact CD1-CD2 3.98Å; I201-W293 HydrophobicContact CD1-CG 3.97Å; I201-W293 HydrophobicContact CG1-CD2 4.42Å; I201-W293 HydrophobicContact CG1-CG 4.18Å; I201-W293 HydrophobicContact CG2-CZ2 3.78Å; I201-F300 CarbonylContact C-O 3.6Å; I201-F300 WeakPolarHBondContact CA-O 3.41Å
202	K	82.8	Confident	84.6	Confident	100 Å²	100	38.2 Å²	38.2	44%	0.435	21%	0.205	S	C	.	.			trans	-73.1	113	174.6	-74.8	175.9	174.1	151.5	0	109.3	R200 M299 F300 C301 T302	R200-K202 PolarHBondContact O-N 2.81Å; K202-M299 PolarHBondContact NZ-O 3.39Å; K202-F300 PolarHBondContact N-O 2.95Å; K202-C301 WeakPolarHBondContact CD-O 3.42Å; K202-C301 WeakPolarHBondContact CE-O 3.48Å; K202-C301 PolarHBondContact NZ-O 3.47Å; K202-T302 HydrophobicContact CG-CG2 3.91Å
203	L	82.5	Confident	84.6	Confident	27 Å²	27	37.3 Å²	37.3	14%	0.141	20%	0.202	C	C	.	.			trans	-115.5	131.4	169	-62.6	178.1	0	0	0	109.6	I178 V187 I201 H205 G206 I208	I178-L203 HydrophobicContact CD1-CD2 3.7Å; I178-L203 HydrophobicContact CG1-CD2 3.86Å; I178-L203 HydrophobicContact CG2-CD2 4.24Å; V187-L203 HydrophobicContact CB-CD1 4.02Å; V187-L203 HydrophobicContact CG2-CD1 3.63Å; I201-L203 HydrophobicContact CG2-CD2 4.27Å; I201-L203 HydrophobicContact CG2-CG 4.49Å; I201-L203 PolarHBondContact O-N 3.02Å; L203-H205 PolarHBondContact O-N 3.03Å; L203-H205 VanDerWaalsContact O-N 3.15Å; L203-G206 PolarHBondContact O-N 3.17Å; L203-I208 HydrophobicContact CD1-CB 4.09Å
204	P	66.8	Low	84.5	Confident	89 Å²	89	43.1 Å²	43.1	58%	0.578	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-26.7	-177.5	-28.4	37.1	0	0	0	115.7
205	H	67.4	Low	84.6	Confident	84 Å²	84	38.9 Å²	38.9	39%	0.389	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.3	9.1	-175.8	-65.8	95.7	0	0	0	114.5	L203 S207 K239	L203-H205 PolarHBondContact O-N 3.03Å; L203-H205 VanDerWaalsContact O-N 3.15Å; H205-S207 PolarHBondContact O-N 2.74Å; H205-S207 VanDerWaalsContact O-N 3.11Å; H205-K239 PolarHBondContact O-NZ 3.13Å
206	G	67.9	Low	84.7	Confident	19 Å²	19	39.3 Å²	39.3	20%	0.196	21%	0.205	C	C	.	.			trans	60.9	22	-179.5	0	0	0	0	0	114.3	L203 I208	L203-G206 PolarHBondContact O-N 3.17Å; G206-I208 PolarHBondContact O-N 3.12Å
207	S	84	Confident	84.5	Confident	7 Å²	7	46.4 Å²	46.4	5%	0.049	23%	0.231	C	C	.	.			trans	-79.1	42.5	179.2	-59	0	0	0	0	112.4	I185 L186 V187 H205	I185-S207 WeakPolarHBondContact O-CB 3.38Å; L186-S207 WeakPolarHBondContact CA-O 3.34Å; L186-S207 WeakPolarHBondContact CD1-O 3.3Å; V187-S207 PolarHBondContact N-O 3.15Å; H205-S207 PolarHBondContact O-N 2.74Å; H205-S207 VanDerWaalsContact O-N 3.11Å
208	I	91.4	Very high	84.6	Confident	13 Å²	13	46.9 Å²	46.9	7%	0.067	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	128.9	175.9	-172	164.7	0	0	0	109.5	V187 F196 R200 I201 L203 G206	V187-I208 HydrophobicContact CB-CB 4.32Å; V187-I208 HydrophobicContact CB-CD1 4.29Å; V187-I208 HydrophobicContact CB-CG1 4Å; V187-I208 HydrophobicContact CG1-CD1 3.92Å; V187-I208 HydrophobicContact CG1-CG1 3.97Å; V187-I208 CarbonylContact O-C 3.6Å; V187-I208 VanDerWaalsContact O-CA 3.3Å; V187-I208 WeakPolarHBondContact O-CA 3.46Å; F196-I208 HydrophobicContact CE2-CD1 3.94Å; F196-I208 HydrophobicContact CE2-CG1 3.94Å; F196-I208 HydrophobicContact CZ-CG1 4.37Å; R200-I208 HydrophobicContact CB-CD1 4.2Å; I201-I208 HydrophobicContact CB-CD1 4.14Å; L203-I208 HydrophobicContact CD1-CB 4.09Å; G206-I208 PolarHBondContact O-N 3.12Å
209	V	92.6	Very high	84.6	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	133.7	179.7	60.8	0	0	0	0	110	L186 V187 I188 D189 L229 D233 V236 F237	L186-V209 HydrophobicContact CD1-CG1 4.11Å; V187-V209 PolarHBondContact O-N 3.47Å; I188-V209 WeakPolarHBondContact CA-O 2.99Å; I188-V209 HydrophobicContact CB-CG1 4.41Å; I188-V209 HydrophobicContact CG1-CG1 3.88Å; D189-V209 PolarHBondContact N-O 2.94Å; V209-L229 HydrophobicContact CG2-CD1 4.44Å; V209-D233 HydrophobicContact CG2-CB 3.71Å; V209-D233 WeakPolarHBondContact CG2-O 3.41Å; V209-V236 HydrophobicContact CB-CB 4.19Å; V209-V236 HydrophobicContact CB-CG1 3.92Å; V209-F237 HydrophobicContact CG1-CD2 4.23Å; V209-F237 HydrophobicContact CG2-CB 4.3Å
210	N	93.8	Very high	84.5	Confident	5 Å²	5	46.5 Å²	46.5	3%	0.027	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	127.9	171.3	-179.6	-118.2	0	0	0	110.3	D189 R191 P193 F196	D189-N210 CarbonylContact O-C 3.45Å; D189-N210 VanDerWaalsContact O-CA 3.29Å; D189-N210 WeakPolarHBondContact O-CA 3.45Å; D189-N210 PolarHBondContact O-ND2 3.11Å; R191-N210 PolarHBondContact O-ND2 2.96Å; P193-N210 WeakPolarHBondContact CA-OD1 3.42Å; P193-N210 WeakPolarHBondContact CB-OD1 3.34Å; F196-N210 HydrophobicContact CB-CB 4.25Å; F196-N210 HydrophobicContact CD1-CB 3.52Å; F196-N210 HydrophobicContact CD2-CB 3.89Å; F196-N210 HydrophobicContact CE1-CB 3.7Å; F196-N210 HydrophobicContact CE2-CB 4.05Å; F196-N210 HydrophobicContact CG-CB 3.61Å; F196-N210 HydrophobicContact CZ-CB 3.95Å
211	I	93.1	Very high	84.4	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.24	C	C	.	.			trans	-115.5	98.2	172.4	-59.9	-171.5	0	0	0	107.3	I188 D189 V190 I216 L225 L229 F237	I188-I211 HydrophobicContact CG2-CB 4.27Å; I188-I211 HydrophobicContact CG2-CD1 3.49Å; I188-I211 VanDerWaalsContact CG2-CD1 3.49Å; I188-I211 HydrophobicContact CG2-CG1 3.81Å; D189-I211 PolarHBondContact O-N 2.95Å; V190-I211 WeakPolarHBondContact CA-O 3.48Å; I211-I216 HydrophobicContact CG2-CD1 3.77Å; I211-I216 HydrophobicContact CG2-CG1 3.71Å; I211-L225 HydrophobicContact CD1-CD2 3.95Å; I211-L225 HydrophobicContact CD1-CG 4.46Å; I211-L225 HydrophobicContact CG2-CD1 3.78Å; I211-L225 HydrophobicContact CG2-CD2 4.44Å; I211-L225 HydrophobicContact CG2-CG 4.41Å; I211-L229 HydrophobicContact CB-CD2 4.28Å; I211-L229 HydrophobicContact CD1-CD1 4.33Å; I211-L229 HydrophobicContact CG1-CD1 4.12Å; I211-L229 HydrophobicContact CG1-CD2 4.01Å; I211-L229 HydrophobicContact CG2-CD2 4.16Å; I211-F237 HydrophobicContact CD1-CD2 3.91Å; I211-F237 HydrophobicContact CD1-CE2 3.68Å; I211-F237 HydrophobicContact CD1-CZ 4.4Å
212	P	90.1	Very high	84.2	Confident	10 Å²	10	44.9 Å²	44.9	7%	0.065	24%	0.24	C	C	.	.			trans	-56.5	142.2	-179.7	-28	36	0	0	0	112.2	P193 R214 C215	P193-P212 HydrophobicContact CB-CG 4.4Å; P193-P212 HydrophobicContact CG-CB 4.16Å; P193-P212 HydrophobicContact CG-CG 3.84Å; P212-R214 HydrophobicContact CB-CG 3.82Å; P212-R214 PolarHBondContact O-N 2.62Å; P212-R214 VanDerWaalsContact O-N 3.07Å; P212-C215 WeakPolarHBondContact O-CB 3.5Å; P212-C215 PolarHBondContact O-N 2.82Å
213	P	88.1	Confident	84.1	Confident	34 Å²	34	45.5 Å²	45.5	22%	0.221	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-53.7	-36.3	-179.2	-28.3	33.5	0	0	0	113.7	V190 C215 I216 L263	V190-P213 VanDerWaalsContact O-CD 3.25Å; V190-P213 WeakPolarHBondContact O-CD 3.48Å; V190-P213 VanDerWaalsContact O-CG 3.23Å; V190-P213 WeakPolarHBondContact O-CG 3.46Å; P213-C215 PolarHBondContact O-N 3.08Å; P213-C215 VanDerWaalsContact O-N 3.13Å; P213-I216 PolarHBondContact O-N 3.17Å; P213-L263 HydrophobicContact CB-CD1 3.93Å; P213-L263 HydrophobicContact CB-CD2 3.91Å; P213-L263 HydrophobicContact CG-CD2 4.27Å; P213-L263 WeakPolarHBondContact O-CD1 3.47Å
214	R	83.6	Confident	84.2	Confident	143 Å²	143	47.3 Å²	47.3	54%	0.54	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-58.6	-23.9	177.7	61.8	177	178.4	-94.5	3.2	114.9	P212	P212-R214 HydrophobicContact CB-CG 3.82Å; P212-R214 PolarHBondContact O-N 2.62Å; P212-R214 VanDerWaalsContact O-N 3.07Å
215	C	86.4	Confident	85.2	Confident	20 Å²	20	43 Å²	43	14%	0.135	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-81.6	-21.4	178.2	-64.7	0	0	0	0	111.7	P212 P213 I220 L225	P212-C215 WeakPolarHBondContact O-CB 3.5Å; P212-C215 PolarHBondContact O-N 2.82Å; P213-C215 PolarHBondContact O-N 3.08Å; P213-C215 VanDerWaalsContact O-N 3.13Å; C215-I220 WeakPolarHBondContact O-CD1 3.36Å; C215-L225 HydrophobicContact CB-CD1 4.1Å
216	I	88	Confident	86.2	Confident	11 Å²	11	39 Å²	39	6%	0.056	21%	0.208	C	C	.	.			trans	-94.5	120.6	-176.8	-56.7	164.9	0	0	0	108.5	V190 I211 P213 L225 L263 L267	V190-I216 HydrophobicContact CB-CD1 4.42Å; V190-I216 HydrophobicContact CG1-CD1 4.07Å; I211-I216 HydrophobicContact CG2-CD1 3.77Å; I211-I216 HydrophobicContact CG2-CG1 3.71Å; P213-I216 PolarHBondContact O-N 3.17Å; I216-L225 HydrophobicContact CG1-CD1 4.16Å; I216-L263 HydrophobicContact CB-CD1 3.68Å; I216-L263 HydrophobicContact CD1-CD1 4.11Å; I216-L263 HydrophobicContact CD1-CG 4.3Å; I216-L263 HydrophobicContact CG1-CD1 4.47Å; I216-L263 HydrophobicContact CG2-CD1 3.91Å; I216-L263 HydrophobicContact CG2-CG 4.45Å; I216-L263 WeakPolarHBondContact CG2-O 3.4Å; I216-L267 HydrophobicContact CD1-CB 4.24Å; I216-L267 HydrophobicContact CD1-CD1 4.27Å; I216-L267 HydrophobicContact CD1-CD2 4.06Å; I216-L267 HydrophobicContact CD1-CG 4.43Å; I216-L267 HydrophobicContact CG1-CD1 4.38Å; I216-L267 HydrophobicContact CG2-CB 3.98Å
217	R	86.1	Confident	86.9	Confident	173 Å²	173	41.1 Å²	41.1	65%	0.653	21%	0.214	S	C	*	.			trans	-137	151.6	178.8	-60.1	-179.4	-172.6	170.9	0.8	109.9	G219 I220	R217-G219 PolarHBondContact O-N 3.41Å; R217-I220 WeakPolarHBondContact O-CB 3.49Å; R217-I220 WeakPolarHBondContact O-CG2 3.33Å; R217-I220 PolarHBondContact O-N 3.06Å
218	P	85.1	Confident	86.9	Confident	89 Å²	89	43.4 Å²	43.4	58%	0.578	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.1	128.1	176.3	-26.5	34.5	0	0	0	112.1	L262 S266	P218-L262 HydrophobicContact CG-CD1 4.27Å; P218-L262 HydrophobicContact CG-CD2 4.15Å; P218-L262 HydrophobicContact CG-CG 4.23Å; P218-S266 WeakPolarHBondContact CA-OG 3.39Å
219	G	82.4	Confident	86.7	Confident	50 Å²	50	43 Å²	43	52%	0.515	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.9	10.1	-178.9	0	0	0	0	0	115.9	R217	R217-G219 PolarHBondContact O-N 3.41Å
220	I	85.4	Confident	86.1	Confident	24 Å²	24	48.6 Å²	48.6	12%	0.123	25%	0.252	C	S	.	.			trans	-66.2	141.3	171.4	-163.2	167.9	0	0	0	110.9	C215 R217 L225 A270	C215-I220 WeakPolarHBondContact O-CD1 3.36Å; R217-I220 WeakPolarHBondContact O-CB 3.49Å; R217-I220 WeakPolarHBondContact O-CG2 3.33Å; R217-I220 PolarHBondContact O-N 3.06Å; I220-L225 HydrophobicContact CD1-CB 4.09Å; I220-L225 HydrophobicContact CD1-CD1 4.07Å; I220-L225 HydrophobicContact CG1-CB 4.41Å; I220-A270 HydrophobicContact CG2-CB 3.8Å; I220-A270 WeakPolarHBondContact O-CA 3.31Å; I220-A270 VanDerWaalsContact O-CB 3.25Å; I220-A270 WeakPolarHBondContact O-CB 3Å
221	T	84.7	Confident	85	Confident	43 Å²	43	50.6 Å²	50.6	26%	0.264	27%	0.265	S	S	.	.			trans	-91.8	152.6	173.4	73.6	0	0	0	0	110.5	R223 S224 L225 F274	T221-R223 PolarHBondContact O-N 2.99Å; T221-R223 VanDerWaalsContact O-N 3.12Å; T221-S224 PolarHBondContact O-N 3.32Å; T221-S224 WeakPolarHBondContact OG1-CB 3.37Å; T221-S224 PolarHBondContact OG1-N 3.26Å; T221-S224 VanDerWaalsContact OG1-N 3.08Å; T221-S224 PolarHBondContact OG1-OG 3.35Å; T221-L225 WeakPolarHBondContact O-CB 3.26Å; T221-L225 PolarHBondContact O-N 3.17Å; T221-F274 HydrophobicContact CG2-CB 4.44Å; T221-F274 HydrophobicContact CG2-CD1 3.75Å; T221-F274 HydrophobicContact CG2-CE1 4.12Å; T221-F274 HydrophobicContact CG2-CG 4.09Å
222	S	85.9	Confident	84.2	Confident	1 Å²	1	54 Å²	54	1%	0.007	28%	0.281	C	S	.	.	H	α-helix	trans	-55.7	-30.5	175	-77.5	0	0	0	0	113.7	E226 A270 D275	S222-E226 WeakPolarHBondContact O-CB 3.44Å; S222-E226 PolarHBondContact O-N 3.42Å; S222-A270 VanDerWaalsContact OG-C 3.27Å; S222-A270 PolarHBondContact OG-O 3.32Å; S222-D275 WeakPolarHBondContact CB-OD2 3.33Å
223	R	80.6	Confident	84.1	Confident	113 Å²	113	54.6 Å²	54.6	43%	0.426	28%	0.283	S	S	.	.	H	α-helix	trans	-72.8	-43.4	175.1	-171.5	61.9	178.4	179.7	0.4	112.5	T221 L225 E226 M227	T221-R223 PolarHBondContact O-N 2.99Å; T221-R223 VanDerWaalsContact O-N 3.12Å; R223-L225 VanDerWaalsContact C-N 3.28Å; R223-E226 IonicContact CZ-OE1 2.67Å; R223-E226 IonicContact NH1-OE1 3.86Å; R223-E226 PolarHBondContact NH1-OE1 2.96Å; R223-E226 IonicContact NH1-OE2 2.68Å; R223-E226 PolarHBondContact NH1-OE2 2.89Å; R223-E226 PolarHBondContact O-N 2.95Å; R223-M227 WeakPolarHBondContact O-CG 3.5Å; R223-M227 PolarHBondContact O-N 3.18Å
224	S	84.9	Confident	84	Confident	65 Å²	65	56.7 Å²	56.7	46%	0.455	29%	0.287	S	S	.	.	H	α-helix	trans	-62.7	-39.4	174.4	-60.1	0	0	0	0	111.1	T221 M227 S228	T221-S224 PolarHBondContact O-N 3.32Å; T221-S224 WeakPolarHBondContact OG1-CB 3.37Å; T221-S224 PolarHBondContact OG1-N 3.26Å; T221-S224 VanDerWaalsContact OG1-N 3.08Å; T221-S224 PolarHBondContact OG1-OG 3.35Å; S224-M227 PolarHBondContact O-N 3.45Å; S224-S228 PolarHBondContact O-N 3.33Å; S224-S228 VanDerWaalsContact O-N 3.08Å
225	L	88.3	Confident	83.8	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-59.8	-51.9	173.5	-174.3	65.9	0	0	0	110.7	I211 C215 I216 I220 T221 R223 M227 S228 L229 F237 L267	I211-L225 HydrophobicContact CD1-CD2 3.95Å; I211-L225 HydrophobicContact CD1-CG 4.46Å; I211-L225 HydrophobicContact CG2-CD1 3.78Å; I211-L225 HydrophobicContact CG2-CD2 4.44Å; I211-L225 HydrophobicContact CG2-CG 4.41Å; C215-L225 HydrophobicContact CB-CD1 4.1Å; I216-L225 HydrophobicContact CG1-CD1 4.16Å; I220-L225 HydrophobicContact CD1-CB 4.09Å; I220-L225 HydrophobicContact CD1-CD1 4.07Å; I220-L225 HydrophobicContact CG1-CB 4.41Å; T221-L225 WeakPolarHBondContact O-CB 3.26Å; T221-L225 PolarHBondContact O-N 3.17Å; R223-L225 VanDerWaalsContact C-N 3.28Å; L225-M227 VanDerWaalsContact C-N 3.28Å; L225-M227 PolarHBondContact O-N 3.41Å; L225-S228 WeakPolarHBondContact O-CB 3.18Å; L225-S228 PolarHBondContact O-N 2.94Å; L225-S228 PolarHBondContact O-OG 2.99Å; L225-L229 WeakPolarHBondContact O-CG 3.48Å; L225-L229 PolarHBondContact O-N 3.46Å; L225-F237 HydrophobicContact CD2-CZ 3.99Å; L225-L267 HydrophobicContact CD2-CD1 3.67Å
226	E	86.8	Confident	83.8	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-53.5	-43.6	175.6	-174.7	-173.5	148.9	0	0	112	S222 R223 S228 L229 R234 F237 R238 R240	S222-E226 WeakPolarHBondContact O-CB 3.44Å; S222-E226 PolarHBondContact O-N 3.42Å; R223-E226 IonicContact CZ-OE1 2.67Å; R223-E226 IonicContact NH1-OE1 3.86Å; R223-E226 PolarHBondContact NH1-OE1 2.96Å; R223-E226 IonicContact NH1-OE2 2.68Å; R223-E226 PolarHBondContact NH1-OE2 2.89Å; R223-E226 PolarHBondContact O-N 2.95Å; E226-S228 VanDerWaalsContact C-N 3.27Å; E226-S228 PolarHBondContact O-N 2.9Å; E226-L229 PolarHBondContact O-N 3.24Å; E226-R234 HydrophobicContact CG-CB 4.24Å; E226-R234 VanDerWaalsContact O-CD 3.24Å; E226-R234 WeakPolarHBondContact O-CD 3.13Å; E226-R234 WeakPolarHBondContact O-CG 3.31Å; E226-R234 PolarHBondContact O-NE 3.44Å; E226-F237 HydrophobicContact CB-CD1 3.84Å; E226-F237 HydrophobicContact CB-CE1 4.05Å; E226-F237 HydrophobicContact CG-CD1 4.06Å; E226-R238 IonicContact OE1-CZ 2.76Å; E226-R238 IonicContact OE1-NE 3.84Å; E226-R238 PolarHBondContact OE1-NE 3.28Å; E226-R238 IonicContact OE1-NH2 2.73Å; E226-R238 PolarHBondContact OE1-NH2 3.43Å; E226-R240 IonicContact OE2-CZ 3.89Å; E226-R240 IonicContact OE2-NH1 3.02Å; E226-R240 PolarHBondContact OE2-NH1 3.17Å; E226-R240 IonicContact OE2-NH2 3.13Å; E226-R240 PolarHBondContact OE2-NH2 2.96Å
227	M	82.9	Confident	83.9	Confident	63 Å²	63	52.2 Å²	52.2	31%	0.31	27%	0.272	S	S	.	.	H	α-helix	trans	-69	-24	178.4	-65.1	-59.2	-63.6	0	0	113.4	R223 S224 L225 R234	R223-M227 WeakPolarHBondContact O-CG 3.5Å; R223-M227 PolarHBondContact O-N 3.18Å; S224-M227 PolarHBondContact O-N 3.45Å; L225-M227 VanDerWaalsContact C-N 3.28Å; L225-M227 PolarHBondContact O-N 3.41Å; M227-R234 PolarHBondContact O-NH2 3.42Å
228	S	85.2	Confident	84	Confident	54 Å²	54	49.3 Å²	49.3	38%	0.378	26%	0.261	S	S	.	.	H	α-helix	trans	-81.4	-15.1	177.7	74	0	0	0	0	114.2	S224 L225 E226	S224-S228 PolarHBondContact O-N 3.33Å; S224-S228 VanDerWaalsContact O-N 3.08Å; L225-S228 WeakPolarHBondContact O-CB 3.18Å; L225-S228 PolarHBondContact O-N 2.94Å; L225-S228 PolarHBondContact O-OG 2.99Å; E226-S228 VanDerWaalsContact C-N 3.27Å; E226-S228 PolarHBondContact O-N 2.9Å
229	L	86.2	Confident	83.9	Confident	6 Å²	6	48.3 Å²	48.3	3%	0.031	25%	0.248	C	C	.	.	S	Bend	trans	-80.7	160.8	178.6	-61.4	176.5	0	0	0	111.9	V209 I211 L225 E226 D233 R234 F237	V209-L229 HydrophobicContact CG2-CD1 4.44Å; I211-L229 HydrophobicContact CB-CD2 4.28Å; I211-L229 HydrophobicContact CD1-CD1 4.33Å; I211-L229 HydrophobicContact CG1-CD1 4.12Å; I211-L229 HydrophobicContact CG1-CD2 4.01Å; I211-L229 HydrophobicContact CG2-CD2 4.16Å; L225-L229 WeakPolarHBondContact O-CG 3.48Å; L225-L229 PolarHBondContact O-N 3.46Å; E226-L229 PolarHBondContact O-N 3.24Å; L229-D233 HydrophobicContact CB-CB 4.08Å; L229-R234 HydrophobicContact CB-CG 4.17Å; L229-R234 PolarHBondContact O-NE 3.46Å; L229-R234 PolarHBondContact O-NH2 3.26Å; L229-F237 HydrophobicContact CD1-CB 3.98Å; L229-F237 HydrophobicContact CD1-CD1 4.21Å; L229-F237 HydrophobicContact CD1-CD2 4.49Å; L229-F237 HydrophobicContact CD1-CG 3.99Å
230	K	81.1	Confident	84.2	Confident	117 Å²	117	46.2 Å²	46.2	51%	0.509	22%	0.224	S	C	.	.			trans	-63.8	149.1	171	-59.5	-176.7	178	-169.8	0	110.4	H232 D233 R234	K230-H232 PolarHBondContact O-N 2.89Å; K230-D233 HydrophobicContact CB-CB 4.41Å; K230-D233 CarbonylContact O-C 3.51Å; K230-D233 WeakPolarHBondContact O-CA 3.49Å; K230-D233 WeakPolarHBondContact O-CB 3.29Å; K230-D233 PolarHBondContact O-N 3.44Å; K230-R234 VanDerWaalsContact O-CG 3.29Å; K230-R234 WeakPolarHBondContact O-CG 3.26Å; K230-R234 PolarHBondContact O-N 3.41Å
231	P	70.9	Confident	84.1	Confident	46 Å²	46	50.3 Å²	50.3	30%	0.299	24%	0.241	S	C	.	.	H	α-helix	trans	-52	-46.6	-174.2	-28.1	35.2	0	0	0	115.3	D233 R234 L235 D590	P231-D233 VanDerWaalsContact C-N 3.33Å; P231-D233 PolarHBondContact O-N 3.21Å; P231-R234 VanDerWaalsContact O-CB 3.3Å; P231-R234 WeakPolarHBondContact O-CB 3.23Å; P231-R234 PolarHBondContact O-N 2.72Å; P231-R234 VanDerWaalsContact O-N 3.08Å; P231-L235 PolarHBondContact O-N 3.35Å; P231-L235 VanDerWaalsContact O-N 3.1Å; P231-D590 HydrophobicContact CB-CB 4.2Å; P231-D590 VanDerWaalsContact CB-CG 3.48Å; P231-D590 WeakPolarHBondContact CB-OD2 3.36Å; P231-D590 HydrophobicContact CG-CB 4.42Å
232	H	76.5	Confident	83.9	Confident	72 Å²	72	55.4 Å²	55.4	33%	0.333	26%	0.26	S	S	.	.	H	α-helix	trans	-53.8	-49.7	172.6	171.6	-86.8	0	0	0	111.7	K230 R234 L235 V236 F572	K230-H232 PolarHBondContact O-N 2.89Å; H232-R234 VanDerWaalsContact C-N 3.26Å; H232-R234 PolarHBondContact O-N 3.43Å; H232-L235 WeakPolarHBondContact O-CB 3.49Å; H232-L235 PolarHBondContact O-N 3.07Å; H232-L235 VanDerWaalsContact O-N 3.1Å; H232-V236 WeakPolarHBondContact O-CG2 3.11Å; H232-V236 PolarHBondContact O-N 2.82Å; H232-V236 VanDerWaalsContact O-N 3.08Å; H232-F572 AromaticContact CD2-CD2 3.88Å; H232-F572 AromaticContact CD2-CE2 3.88Å; H232-F572 AromaticContact CE1-CE2 3.86Å; H232-F572 AromaticContact NE2-CD2 3.32Å; H232-F572 VanDerWaalsContact NE2-CD2 3.32Å; H232-F572 WeakPolarHBondContact NE2-CD2 3.42Å; H232-F572 AromaticContact NE2-CE2 3.14Å; H232-F572 WeakPolarHBondContact NE2-CE2 3.48Å
233	D	87	Confident	83.8	Confident	22 Å²	22	55.8 Å²	55.8	12%	0.118	26%	0.263	C	S	.	.	H	α-helix	trans	-65.9	-28.5	179.1	-60.2	-25.8	0	0	0	111.8	V209 L229 K230 P231 F237	V209-D233 HydrophobicContact CG2-CB 3.71Å; V209-D233 WeakPolarHBondContact CG2-O 3.41Å; L229-D233 HydrophobicContact CB-CB 4.08Å; K230-D233 HydrophobicContact CB-CB 4.41Å; K230-D233 CarbonylContact O-C 3.51Å; K230-D233 WeakPolarHBondContact O-CA 3.49Å; K230-D233 WeakPolarHBondContact O-CB 3.29Å; K230-D233 PolarHBondContact O-N 3.44Å; P231-D233 VanDerWaalsContact C-N 3.33Å; P231-D233 PolarHBondContact O-N 3.21Å; D233-F237 WeakPolarHBondContact O-CB 3.14Å; D233-F237 PolarHBondContact O-N 3.32Å
234	R	85.6	Confident	84	Confident	79 Å²	79	55.1 Å²	55.1	30%	0.298	27%	0.265	S	S	.	.	H	α-helix	trans	-64.8	-43.7	171.5	-50.8	-168.3	-177.1	147.4	-3.2	111.5	E226 M227 L229 K230 P231 H232 F237 R238	E226-R234 HydrophobicContact CG-CB 4.24Å; E226-R234 VanDerWaalsContact O-CD 3.24Å; E226-R234 WeakPolarHBondContact O-CD 3.13Å; E226-R234 WeakPolarHBondContact O-CG 3.31Å; E226-R234 PolarHBondContact O-NE 3.44Å; M227-R234 PolarHBondContact O-NH2 3.42Å; L229-R234 HydrophobicContact CB-CG 4.17Å; L229-R234 PolarHBondContact O-NE 3.46Å; L229-R234 PolarHBondContact O-NH2 3.26Å; K230-R234 VanDerWaalsContact O-CG 3.29Å; K230-R234 WeakPolarHBondContact O-CG 3.26Å; K230-R234 PolarHBondContact O-N 3.41Å; P231-R234 VanDerWaalsContact O-CB 3.3Å; P231-R234 WeakPolarHBondContact O-CB 3.23Å; P231-R234 PolarHBondContact O-N 2.72Å; P231-R234 VanDerWaalsContact O-N 3.08Å; H232-R234 VanDerWaalsContact C-N 3.26Å; H232-R234 PolarHBondContact O-N 3.43Å; R234-F237 PolarHBondContact O-N 3.42Å; R234-R238 WeakPolarHBondContact O-CG 3.47Å; R234-R238 PolarHBondContact O-N 3.47Å
235	L	80.1	Confident	84.2	Confident	79 Å²	79	54.1 Å²	54.1	41%	0.414	25%	0.253	S	S	.	.	H	α-helix	trans	-64.1	-44	179.5	-175.6	61.7	0	0	0	110.6	P231 H232 R238 E583	P231-L235 PolarHBondContact O-N 3.35Å; P231-L235 VanDerWaalsContact O-N 3.1Å; H232-L235 WeakPolarHBondContact O-CB 3.49Å; H232-L235 PolarHBondContact O-N 3.07Å; H232-L235 VanDerWaalsContact O-N 3.1Å; L235-R238 WeakPolarHBondContact O-CB 3.44Å; L235-R238 PolarHBondContact O-N 2.9Å; L235-E583 HydrophobicContact CD2-CG 4.3Å; L235-E583 WeakPolarHBondContact CD2-OE1 3.18Å
236	V	86.5	Confident	84.3	Confident	1 Å²	1	54.5 Å²	54.5	1%	0.006	26%	0.255	C	S	.	.	H	α-helix	trans	-66.8	-43	175.4	-173.6	0	0	0	0	111.3	L186 V209 H232 R238 K239 F572	L186-V236 HydrophobicContact CD1-CG1 4.09Å; V209-V236 HydrophobicContact CB-CB 4.19Å; V209-V236 HydrophobicContact CB-CG1 3.92Å; H232-V236 WeakPolarHBondContact O-CG2 3.11Å; H232-V236 PolarHBondContact O-N 2.82Å; H232-V236 VanDerWaalsContact O-N 3.08Å; V236-R238 PolarHBondContact O-N 3.34Å; V236-K239 WeakPolarHBondContact O-CB 3.26Å; V236-K239 WeakPolarHBondContact O-CG 3.37Å; V236-K239 PolarHBondContact O-N 2.65Å; V236-F572 HydrophobicContact CG2-CE2 3.92Å; V236-F572 HydrophobicContact CG2-CZ 3.84Å
237	F	90.2	Very high	84.7	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-64.2	-25.2	177.5	-171.9	-116.1	0	0	0	113.1	I188 V209 I211 L225 E226 L229 D233 R234 K239 R240 L271	I188-F237 HydrophobicContact CD1-CD2 4.42Å; I188-F237 HydrophobicContact CD1-CE2 3.93Å; V209-F237 HydrophobicContact CG1-CD2 4.23Å; V209-F237 HydrophobicContact CG2-CB 4.3Å; I211-F237 HydrophobicContact CD1-CD2 3.91Å; I211-F237 HydrophobicContact CD1-CE2 3.68Å; I211-F237 HydrophobicContact CD1-CZ 4.4Å; L225-F237 HydrophobicContact CD2-CZ 3.99Å; E226-F237 HydrophobicContact CB-CD1 3.84Å; E226-F237 HydrophobicContact CB-CE1 4.05Å; E226-F237 HydrophobicContact CG-CD1 4.06Å; L229-F237 HydrophobicContact CD1-CB 3.98Å; L229-F237 HydrophobicContact CD1-CD1 4.21Å; L229-F237 HydrophobicContact CD1-CD2 4.49Å; L229-F237 HydrophobicContact CD1-CG 3.99Å; D233-F237 WeakPolarHBondContact O-CB 3.14Å; D233-F237 PolarHBondContact O-N 3.32Å; R234-F237 PolarHBondContact O-N 3.42Å; F237-K239 PolarHBondContact O-N 3.21Å; F237-R240 WeakPolarHBondContact O-CB 3.47Å; F237-R240 VanDerWaalsContact O-CD 3.3Å; F237-R240 WeakPolarHBondContact O-CD 3.38Å; F237-R240 WeakPolarHBondContact O-CG 3.49Å; F237-R240 PolarHBondContact O-N 3.41Å; F237-R240 PolarHBondContact O-NH1 3.19Å; F237-L271 HydrophobicContact CE2-CD2 4.17Å; F237-L271 HydrophobicContact CZ-CD2 3.91Å
238	R	87	Confident	85.2	Confident	112 Å²	112	51.5 Å²	51.5	42%	0.423	24%	0.241	S	C	.	.	H	α-helix	trans	-67.5	-21	170.9	-80.1	-178.7	175.4	159.6	8.7	113.4	E226 R234 L235 V236 R240 F241	E226-R238 IonicContact OE1-CZ 2.76Å; E226-R238 IonicContact OE1-NE 3.84Å; E226-R238 PolarHBondContact OE1-NE 3.28Å; E226-R238 IonicContact OE1-NH2 2.73Å; E226-R238 PolarHBondContact OE1-NH2 3.43Å; R234-R238 WeakPolarHBondContact O-CG 3.47Å; R234-R238 PolarHBondContact O-N 3.47Å; L235-R238 WeakPolarHBondContact O-CB 3.44Å; L235-R238 PolarHBondContact O-N 2.9Å; V236-R238 PolarHBondContact O-N 3.34Å; R238-R240 PolarHBondContact O-N 2.76Å; R238-R240 VanDerWaalsContact O-N 3.08Å; R238-F241 VanDerWaalsContact O-CD2 3.29Å; R238-F241 WeakPolarHBondContact O-CD2 2.9Å; R238-F241 PolarHBondContact O-N 2.85Å
239	K	84.5	Confident	85.5	Confident	67 Å²	67	49 Å²	49	29%	0.291	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-61.2	-17	173.4	-63.6	-176.1	174	-179.5	0	112.2	H205 V236 F237 F241 K242 A243	H205-K239 PolarHBondContact O-NZ 3.13Å; V236-K239 WeakPolarHBondContact O-CB 3.26Å; V236-K239 WeakPolarHBondContact O-CG 3.37Å; V236-K239 PolarHBondContact O-N 2.65Å; F237-K239 PolarHBondContact O-N 3.21Å; K239-F241 PolarHBondContact O-N 2.89Å; K239-F241 VanDerWaalsContact O-N 3.11Å; K239-K242 PolarHBondContact O-N 2.93Å; K239-A243 PolarHBondContact O-N 2.93Å
240	R	88.1	Confident	85.7	Confident	7 Å²	7	50.1 Å²	50.1	3%	0.026	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-56.7	-26	175.4	79.9	-171.1	-177.4	-84.9	2.6	114.1	L186 E226 F237 R238 K242 D275	L186-R240 HydrophobicContact CD2-CB 3.49Å; L186-R240 VanDerWaalsContact CD2-CB 3.49Å; E226-R240 IonicContact OE2-CZ 3.89Å; E226-R240 IonicContact OE2-NH1 3.02Å; E226-R240 PolarHBondContact OE2-NH1 3.17Å; E226-R240 IonicContact OE2-NH2 3.13Å; E226-R240 PolarHBondContact OE2-NH2 2.96Å; F237-R240 WeakPolarHBondContact O-CB 3.47Å; F237-R240 VanDerWaalsContact O-CD 3.3Å; F237-R240 WeakPolarHBondContact O-CD 3.38Å; F237-R240 WeakPolarHBondContact O-CG 3.49Å; F237-R240 PolarHBondContact O-N 3.41Å; F237-R240 PolarHBondContact O-NH1 3.19Å; R238-R240 PolarHBondContact O-N 2.76Å; R238-R240 VanDerWaalsContact O-N 3.08Å; R240-K242 VanDerWaalsContact C-N 3.3Å; R240-D275 IonicContact CZ-OD2 2.99Å; R240-D275 IonicContact NE-OD2 2.72Å; R240-D275 PolarHBondContact NE-OD2 3.01Å; R240-D275 IonicContact NH2-OD2 3.59Å; R240-D275 PolarHBondContact NH2-OD2 3.36Å
241	F	82.5	Confident	85.9	Confident	109 Å²	109	46.6 Å²	46.6	48%	0.478	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-71.5	-27.3	175.5	-67	-66.3	0	0	0	112.5	R238 K239 D275 C277	R238-F241 VanDerWaalsContact O-CD2 3.29Å; R238-F241 WeakPolarHBondContact O-CD2 2.9Å; R238-F241 PolarHBondContact O-N 2.85Å; K239-F241 PolarHBondContact O-N 2.89Å; K239-F241 VanDerWaalsContact O-N 3.11Å; F241-D275 WeakPolarHBondContact CE1-OD1 3.42Å; F241-C277 HydrophobicContact CD1-CB 4.17Å
242	K	81	Confident	86.5	Confident	150 Å²	150	49.4 Å²	49.4	65%	0.652	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.2	-31.2	-177	-64.8	-172.4	177	-171.8	0	113	K239 R240 Q244	K239-K242 PolarHBondContact O-N 2.93Å; R240-K242 VanDerWaalsContact C-N 3.3Å; K242-Q244 PolarHBondContact O-N 3.34Å
243	A	84.5	Confident	86.7	Confident	9 Å²	9	47 Å²	47	7%	0.074	21%	0.214	C	C	.	.			trans	-58.7	135.5	179.9	0	0	0	0	0	111.3	N184 L186 K239 V246	N184-A243 CarbonylContact O-C 3.52Å; N184-A243 WeakPolarHBondContact O-CA 3.25Å; N184-A243 WeakPolarHBondContact O-CB 3.23Å; L186-A243 HydrophobicContact CB-CB 3.79Å; K239-A243 PolarHBondContact O-N 2.93Å; A243-V246 HydrophobicContact CB-CG2 4.39Å
244	Q	84.4	Confident	85.9	Confident	99 Å²	99	51.3 Å²	51.3	46%	0.463	24%	0.237	S	C	.	.	S	Bend	trans	-78.4	-32.9	169.4	-68.2	-149.4	-1.8	0	0	111.6	N184 K242	N184-Q244 HydrophobicContact CB-CB 3.97Å; N184-Q244 HydrophobicContact CB-CG 3.99Å; N184-Q244 PolarHBondContact O-N 2.65Å; K242-Q244 PolarHBondContact O-N 3.34Å
245	H	88.8	Confident	84.7	Confident	44 Å²	44	52.2 Å²	52.2	20%	0.204	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	121.5	-178.1	-58.7	-58.8	0	0	0	110.5	L177 N184 I185 L186 I247	L177-H245 HydrophobicContact CD2-CB 3.88Å; N184-H245 PolarHBondContact O-N 3.31Å; I185-H245 CarbonylContact C-O 3.58Å; I185-H245 WeakPolarHBondContact CA-O 3.34Å; I185-H245 HydrophobicContact CG1-CB 4.25Å; L186-H245 PolarHBondContact N-O 3.36Å; H245-I247 HydrophobicContact CB-CD1 4.38Å
246	V	91.8	Very high	83.4	Confident	8 Å²	8	54.8 Å²	54.8	5%	0.048	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	115.8	172.7	-179.7	0	0	0	0	107.9	L186 I188 A243 F278 P283 K284	L186-V246 HydrophobicContact CB-CG2 4.48Å; L186-V246 HydrophobicContact CD2-CG2 4.5Å; L186-V246 CarbonylContact O-C 3.51Å; L186-V246 WeakPolarHBondContact O-CA 2.97Å; I188-V246 HydrophobicContact CD1-CG1 3.55Å; I188-V246 HydrophobicContact CG1-CG1 4.16Å; A243-V246 HydrophobicContact CB-CG2 4.39Å; V246-F278 HydrophobicContact CB-CE1 3.76Å; V246-F278 HydrophobicContact CB-CZ 4.23Å; V246-F278 HydrophobicContact CG1-CE1 3.95Å; V246-F278 HydrophobicContact CG1-CZ 4.06Å; V246-F278 HydrophobicContact CG2-CE1 3.7Å; V246-F278 HydrophobicContact CG2-CZ 3.9Å; V246-P283 HydrophobicContact CG1-CB 4.45Å; V246-P283 WeakPolarHBondContact O-CA 3.49Å; V246-K284 PolarHBondContact O-N 2.89Å
247	I	93.4	Very high	81.7	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	125.4	-176.2	-48.2	-58.6	0	0	0	108.7	I169 L174 L177 I185 L186 V187 I188 H245 V249 K284	I169-I247 HydrophobicContact CD1-CD1 4.04Å; I169-I247 HydrophobicContact CG2-CD1 4.42Å; I169-I247 HydrophobicContact CG2-CG2 4.02Å; L174-I247 HydrophobicContact CD1-CB 4.45Å; L174-I247 HydrophobicContact CD1-CD1 4.5Å; L174-I247 HydrophobicContact CD1-CG1 3.89Å; L174-I247 HydrophobicContact CD1-CG2 4.12Å; L174-I247 HydrophobicContact CD2-CG2 4.25Å; L177-I247 HydrophobicContact CD2-CD1 4.27Å; I185-I247 HydrophobicContact CG2-CG1 4.22Å; L186-I247 PolarHBondContact O-N 2.94Å; V187-I247 CarbonylContact C-O 3.6Å; V187-I247 WeakPolarHBondContact CA-O 3.29Å; V187-I247 HydrophobicContact CG2-CB 4.28Å; I188-I247 PolarHBondContact N-O 3.08Å; H245-I247 HydrophobicContact CB-CD1 4.38Å; I247-V249 HydrophobicContact CG2-CG2 4.34Å; I247-K284 CarbonylContact C-O 3.46Å; I247-K284 VanDerWaalsContact CA-O 3.25Å; I247-K284 WeakPolarHBondContact CA-O 3.24Å; I247-K284 HydrophobicContact CD1-CB 3.86Å; I247-K284 HydrophobicContact CD1-CD 4.31Å; I247-K284 HydrophobicContact CD1-CG 4.45Å
248	V	93.8	Very high	80.2	Confident	1 Å²	1	62.3 Å²	62.3	1%	0.006	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	128.5	176.2	-176.4	0	0	0	0	109.1	I188 V190 L264 L267 P283 K284 Y285 L286	I188-V248 HydrophobicContact CB-CG2 4.35Å; I188-V248 CarbonylContact O-C 3.6Å; I188-V248 WeakPolarHBondContact O-CA 3.42Å; V190-V248 HydrophobicContact CG1-CG1 3.85Å; V248-L264 HydrophobicContact CG1-CD2 4.35Å; V248-L267 HydrophobicContact CG1-CD2 3.93Å; V248-P283 HydrophobicContact CG2-CB 4.35Å; V248-K284 PolarHBondContact N-O 3.13Å; V248-Y285 HydrophobicContact CB-CD1 3.67Å; V248-Y285 HydrophobicContact CB-CE1 3.66Å; V248-Y285 HydrophobicContact CB-CG 4.2Å; V248-Y285 HydrophobicContact CG1-CD1 3.83Å; V248-Y285 HydrophobicContact CG1-CE1 3.61Å; V248-Y285 HydrophobicContact CG2-CD1 4.4Å; V248-Y285 HydrophobicContact CG2-CE1 4Å; V248-Y285 HydrophobicContact CG2-CE2 4.49Å; V248-Y285 WeakPolarHBondContact O-CA 3.5Å; V248-L286 PolarHBondContact O-N 3.09Å
249	V	92.5	Very high	78.8	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	115.3	-177.6	179	0	0	0	0	109	V187 I188 D189 V190 I201 I247 L286 F290	V187-V249 HydrophobicContact CG1-CB 4.49Å; V187-V249 HydrophobicContact CG1-CG2 3.7Å; I188-V249 PolarHBondContact O-N 3.26Å; D189-V249 WeakPolarHBondContact CA-O 3.48Å; V190-V249 WeakPolarHBondContact CG2-O 3.47Å; V190-V249 PolarHBondContact N-O 3.02Å; I201-V249 HydrophobicContact CD1-CG2 4.11Å; I247-V249 HydrophobicContact CG2-CG2 4.34Å; V249-L286 HydrophobicContact CG1-CD2 4.07Å; V249-L286 HydrophobicContact CG2-CB 4.05Å; V249-L286 HydrophobicContact CG2-CD2 3.85Å; V249-F290 HydrophobicContact CG1-CB 3.82Å; V249-F290 HydrophobicContact CG1-CD2 4.32Å
250	D	90.6	Very high	78.2	Confident	30 Å²	30	64.8 Å²	64.8	16%	0.16	36%	0.355	C	S	.	.			trans	-97.8	176.8	169.2	-158.3	-2.7	0	0	0	110.5	V190 L264 G289 F290	V190-D250 HydrophobicContact CG2-CB 3.79Å; D250-L264 HydrophobicContact CB-CD1 4.48Å; D250-L264 HydrophobicContact CB-CD2 4.3Å; D250-G289 CarbonylContact O-C 3.57Å; D250-G289 VanDerWaalsContact O-CA 3.22Å; D250-G289 WeakPolarHBondContact O-CA 3.2Å; D250-F290 PolarHBondContact O-N 2.92Å
251	E	85.4	Confident	77.7	Confident	43 Å²	43	67 Å²	67	20%	0.201	37%	0.372	C	S	.	.	S	Bend	trans	-64.6	-54.6	176.9	-179.7	154.4	-132.8	0	0	112.4	R191 F290 L291 Y306 S308	R191-E251 HydrophobicContact CG-CB 4.07Å; E251-F290 PolarHBondContact O-N 3.4Å; E251-L291 PolarHBondContact O-N 3Å; E251-Y306 PolarHBondContact OE1-OH 2.91Å; E251-S308 WeakPolarHBondContact OE1-CB 3.33Å; E251-S308 PolarHBondContact OE1-OG 3.02Å
252	M	82.4	Confident	77.7	Confident	105 Å²	105	67.8 Å²	67.8	52%	0.517	38%	0.38	S	S	.	.			trans	-141.5	134.6	175.1	-67.7	-172.6	-64.6	0	0	108.7	L291	M252-L291 HydrophobicContact CG-CB 4.12Å; M252-L291 HydrophobicContact CG-CD2 3.97Å; M252-L291 HydrophobicContact SD-CD2 3.61Å
253	L	81.7	Confident	78	Confident	23 Å²	23	62.7 Å²	62.7	12%	0.12	36%	0.36	C	S	.	.			trans	-137.1	102	178.8	-175.1	65.2	0	0	0	109.2	M168 L264 G288	M168-L253 HydrophobicContact CE-CD2 3.5Å; M168-L253 HydrophobicContact CE-CG 3.97Å; M168-L253 HydrophobicContact SD-CD2 4.03Å; L253-L264 HydrophobicContact CD1-CD1 3.65Å; L253-G288 VanDerWaalsContact O-CA 3.28Å; L253-G288 WeakPolarHBondContact O-CA 3.43Å; L253-G288 PolarHBondContact O-N 3.33Å
254	D	68.9	Low	78.2	Confident	112 Å²	112	62.3 Å²	62.3	60%	0.599	36%	0.357	S	S	*	.			trans	-79.6	151.7	-175	-59	-39	0	0	0	112.1	D256	D254-D256 VanDerWaalsContact C-N 3.3Å
255	C	60.6	Low	78.4	Confident	97 Å²	97	59.8 Å²	59.8	66%	0.655	35%	0.348	S	S	*	.			trans	-82.8	-5.3	176.1	64.9	0	0	0	0	113.7	G257 L287	C255-G257 PolarHBondContact O-N 3.23Å; C255-L287 HydrophobicContact CB-CD1 3.89Å
256	D	53.4	Low	78.3	Confident	133 Å²	133	57.8 Å²	57.8	71%	0.711	34%	0.339	S	S	*	.	S	Bend	trans	-74.9	44.6	-165.2	-74.4	-9.6	0	0	0	113.8	D254 S258	D254-D256 VanDerWaalsContact C-N 3.3Å; D256-S258 PolarHBondContact O-N 2.83Å
257	G	51.1	Low	78.2	Confident	80 Å²	80	57.4 Å²	57.4	83%	0.825	34%	0.337	S	S	*	.	S	Bend	trans	57.5	2.9	168.3	0	0	0	0	0	116.3	C255	C255-G257 PolarHBondContact O-N 3.23Å
258	S	57.8	Low	78.1	Confident	79 Å²	79	59.2 Å²	59.2	55%	0.552	35%	0.347	S	S	*	.	P	Polyproline II helix	trans	-67.4	136.8	178.1	56.6	0	0	0	0	108.8	D256	D256-S258 PolarHBondContact O-N 2.83Å
259	E	58.6	Low	77.7	Confident	184 Å²	184	62.4 Å²	62.4	86%	0.86	36%	0.361	S	S	*	.	P	Polyproline II helix	trans	-53.9	132.8	175.7	-71.3	-171.7	162.7	0	0	109.8	S261	E259-S261 PolarHBondContact O-N 2.82Å
260	P	70.3	Confident	77.4	Confident	47 Å²	47	62.4 Å²	62.4	31%	0.305	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-56.4	142.1	179.3	21	-30.8	0	0	0	110.2	L166 T265	L166-P260 HydrophobicContact CD1-CB 3.51Å; L166-P260 HydrophobicContact CD1-CG 3.96Å; L166-P260 HydrophobicContact CG-CB 4.23Å; L166-P260 HydrophobicContact CG-CG 4.13Å; P260-T265 PolarHBondContact O-OG1 3.21Å
261	S	77.9	Confident	77.3	Confident	55 Å²	55	61 Å²	61	39%	0.385	35%	0.354	S	S	.	.	P	Polyproline II helix	trans	-49.8	147.3	-178.2	71.1	0	0	0	0	111.2	E259 L263 L264 T265	E259-S261 PolarHBondContact O-N 2.82Å; S261-L263 PolarHBondContact O-N 3.08Å; S261-L264 PolarHBondContact O-N 3.1Å; S261-L264 WeakPolarHBondContact OG-CG 3.2Å; S261-L264 PolarHBondContact OG-N 3.08Å; S261-T265 PolarHBondContact O-N 2.81Å; S261-T265 PolarHBondContact O-OG1 2.88Å
262	L	83.3	Confident	77.3	Confident	124 Å²	124	61.3 Å²	61.3	65%	0.649	36%	0.359	S	S	*	.	H	α-helix	trans	-53.3	-29.8	178	-179	63.6	0	0	0	111.5	P218 S266	P218-L262 HydrophobicContact CG-CD1 4.27Å; P218-L262 HydrophobicContact CG-CD2 4.15Å; P218-L262 HydrophobicContact CG-CG 4.23Å; L262-S266 WeakPolarHBondContact O-CB 3.38Å; L262-S266 PolarHBondContact O-N 3.43Å; L262-S266 PolarHBondContact O-OG 3.1Å
263	L	87.3	Confident	77.2	Confident	43 Å²	43	62.4 Å²	62.4	23%	0.225	36%	0.362	C	S	.	.	H	α-helix	trans	-61.2	-58.1	173.4	-172.6	76.2	0	0	0	111.9	P213 I216 S261 T265 S266 L267	P213-L263 HydrophobicContact CB-CD1 3.93Å; P213-L263 HydrophobicContact CB-CD2 3.91Å; P213-L263 HydrophobicContact CG-CD2 4.27Å; P213-L263 WeakPolarHBondContact O-CD1 3.47Å; I216-L263 HydrophobicContact CB-CD1 3.68Å; I216-L263 HydrophobicContact CD1-CD1 4.11Å; I216-L263 HydrophobicContact CD1-CG 4.3Å; I216-L263 HydrophobicContact CG1-CD1 4.47Å; I216-L263 HydrophobicContact CG2-CD1 3.91Å; I216-L263 HydrophobicContact CG2-CG 4.45Å; I216-L263 WeakPolarHBondContact CG2-O 3.4Å; S261-L263 PolarHBondContact O-N 3.08Å; L263-T265 VanDerWaalsContact C-N 3.32Å; L263-T265 PolarHBondContact O-N 2.66Å; L263-S266 PolarHBondContact O-N 2.95Å; L263-L267 PolarHBondContact O-N 3.31Å
264	L	88.8	Confident	76.9	Confident	2 Å²	2	65.2 Å²	65.2	1%	0.01	37%	0.374	C	S	.	.	H	α-helix	trans	-65.4	-37.1	-179	-65.1	178.6	0	0	0	111.8	L166 V190 V248 D250 L253 S261 L267 N268 Y285	L166-L264 HydrophobicContact CD1-CB 4.38Å; V190-L264 HydrophobicContact CG2-CD2 3.94Å; V248-L264 HydrophobicContact CG1-CD2 4.35Å; D250-L264 HydrophobicContact CB-CD1 4.48Å; D250-L264 HydrophobicContact CB-CD2 4.3Å; L253-L264 HydrophobicContact CD1-CD1 3.65Å; S261-L264 PolarHBondContact O-N 3.1Å; S261-L264 WeakPolarHBondContact OG-CG 3.2Å; S261-L264 PolarHBondContact OG-N 3.08Å; L264-L267 PolarHBondContact O-N 2.78Å; L264-N268 WeakPolarHBondContact O-CB 3.24Å; L264-N268 PolarHBondContact O-N 2.72Å; L264-Y285 HydrophobicContact CB-CE1 4.26Å; L264-Y285 HydrophobicContact CD2-CD1 4.27Å; L264-Y285 HydrophobicContact CD2-CE1 3.99Å
265	T	87.4	Confident	77.4	Confident	45 Å²	45	60.6 Å²	60.6	28%	0.276	35%	0.349	S	S	.	.	H	α-helix	trans	-62.5	-47.9	174.3	-58.5	0	0	0	0	110.9	P260 S261 L263 L267 N268 E269	P260-T265 PolarHBondContact O-OG1 3.21Å; S261-T265 PolarHBondContact O-N 2.81Å; S261-T265 PolarHBondContact O-OG1 2.88Å; L263-T265 VanDerWaalsContact C-N 3.32Å; L263-T265 PolarHBondContact O-N 2.66Å; T265-L267 VanDerWaalsContact C-N 3.32Å; T265-L267 PolarHBondContact O-N 3.49Å; T265-N268 PolarHBondContact O-N 3Å; T265-E269 WeakPolarHBondContact O-CG 3.49Å; T265-E269 PolarHBondContact O-N 3.28Å
266	S	88	Confident	77.9	Confident	3 Å²	3	61 Å²	61	2%	0.021	34%	0.341	C	S	.	.	H	α-helix	trans	-62.7	-38.1	177.8	-61.3	0	0	0	0	112.3	P218 L262 L263 A270	P218-S266 WeakPolarHBondContact CA-OG 3.39Å; L262-S266 WeakPolarHBondContact O-CB 3.38Å; L262-S266 PolarHBondContact O-N 3.43Å; L262-S266 PolarHBondContact O-OG 3.1Å; L263-S266 PolarHBondContact O-N 2.95Å; S266-A270 WeakPolarHBondContact O-CB 3.46Å; S266-A270 PolarHBondContact O-N 2.59Å
267	L	89.9	Confident	78.9	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-67.4	-44.1	174.6	-179.6	62.2	0	0	0	111.5	I188 V190 I216 L225 V248 L263 L264 T265 E269 A270 L271	I188-L267 HydrophobicContact CG2-CD2 4.49Å; V190-L267 HydrophobicContact CG1-CD2 3.45Å; V190-L267 VanDerWaalsContact CG1-CD2 3.45Å; I216-L267 HydrophobicContact CD1-CB 4.24Å; I216-L267 HydrophobicContact CD1-CD1 4.27Å; I216-L267 HydrophobicContact CD1-CD2 4.06Å; I216-L267 HydrophobicContact CD1-CG 4.43Å; I216-L267 HydrophobicContact CG1-CD1 4.38Å; I216-L267 HydrophobicContact CG2-CB 3.98Å; L225-L267 HydrophobicContact CD2-CD1 3.67Å; V248-L267 HydrophobicContact CG1-CD2 3.93Å; L263-L267 PolarHBondContact O-N 3.31Å; L264-L267 PolarHBondContact O-N 2.78Å; T265-L267 VanDerWaalsContact C-N 3.32Å; T265-L267 PolarHBondContact O-N 3.49Å; L267-E269 VanDerWaalsContact C-N 3.31Å; L267-E269 PolarHBondContact O-N 2.72Å; L267-A270 WeakPolarHBondContact O-CB 3.3Å; L267-A270 PolarHBondContact O-N 2.86Å; L267-A270 VanDerWaalsContact O-N 3.16Å; L267-L271 HydrophobicContact CD1-CD1 4.15Å; L267-L271 HydrophobicContact CD1-CG 4.16Å; L267-L271 HydrophobicContact CG-CD1 4.05Å; L267-L271 HydrophobicContact CG-CG 4.44Å; L267-L271 WeakPolarHBondContact O-CG 3.2Å; L267-L271 PolarHBondContact O-N 2.92Å
268	N	90	Very high	80.1	Confident	37 Å²	37	52.7 Å²	52.7	20%	0.198	28%	0.28	C	S	.	.	H	α-helix	trans	-60.2	-43.3	177.2	-169.3	53.7	0	0	0	111	L166 L264 T265 L271 V272 Y285	L166-N268 HydrophobicContact CD2-CB 3.72Å; L166-N268 VanDerWaalsContact CD2-CG 3.45Å; L264-N268 WeakPolarHBondContact O-CB 3.24Å; L264-N268 PolarHBondContact O-N 2.72Å; T265-N268 PolarHBondContact O-N 3Å; N268-L271 PolarHBondContact O-N 3.4Å; N268-V272 VanDerWaalsContact O-CB 3.31Å; N268-V272 WeakPolarHBondContact O-CB 3.43Å; N268-V272 WeakPolarHBondContact O-CG2 3.36Å; N268-V272 PolarHBondContact O-N 3.47Å; N268-Y285 WeakPolarHBondContact CA-OH 3.15Å; N268-Y285 WeakPolarHBondContact CB-OH 3.41Å; N268-Y285 PolarHBondContact OD1-OH 3.24Å
269	E	85.8	Confident	80.4	Confident	68 Å²	68	56.8 Å²	56.8	32%	0.318	28%	0.284	S	S	.	.	H	α-helix	trans	-61.2	-45.9	173.5	-68.7	-171.8	155.6	0	0	111.5	T265 L267 L271 Q273 F274	T265-E269 WeakPolarHBondContact O-CG 3.49Å; T265-E269 PolarHBondContact O-N 3.28Å; L267-E269 VanDerWaalsContact C-N 3.31Å; L267-E269 PolarHBondContact O-N 2.72Å; E269-L271 VanDerWaalsContact C-N 3.32Å; E269-L271 PolarHBondContact O-N 3.28Å; E269-Q273 HydrophobicContact CB-CG 4.48Å; E269-Q273 WeakPolarHBondContact O-CA 3.46Å; E269-Q273 WeakPolarHBondContact O-CB 3.32Å; E269-Q273 PolarHBondContact O-N 2.96Å; E269-F274 WeakPolarHBondContact O-CD2 3.21Å
270	A	86.4	Confident	80.6	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-55.6	-45	177.2	0	0	0	0	0	112.4	I220 S222 S266 L267 F274	I220-A270 HydrophobicContact CG2-CB 3.8Å; I220-A270 WeakPolarHBondContact O-CA 3.31Å; I220-A270 VanDerWaalsContact O-CB 3.25Å; I220-A270 WeakPolarHBondContact O-CB 3Å; S222-A270 VanDerWaalsContact OG-C 3.27Å; S222-A270 PolarHBondContact OG-O 3.32Å; S266-A270 WeakPolarHBondContact O-CB 3.46Å; S266-A270 PolarHBondContact O-N 2.59Å; L267-A270 WeakPolarHBondContact O-CB 3.3Å; L267-A270 PolarHBondContact O-N 2.86Å; L267-A270 VanDerWaalsContact O-N 3.16Å; A270-F274 WeakPolarHBondContact O-CB 3.17Å
271	L	88.2	Confident	80.9	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-75.5	-52.3	-179	-64.7	174.9	0	0	0	111.7	I188 F237 L267 N268 E269 D275 F278 P283	I188-L271 HydrophobicContact CD1-CD1 4.18Å; F237-L271 HydrophobicContact CE2-CD2 4.17Å; F237-L271 HydrophobicContact CZ-CD2 3.91Å; L267-L271 HydrophobicContact CD1-CD1 4.15Å; L267-L271 HydrophobicContact CD1-CG 4.16Å; L267-L271 HydrophobicContact CG-CD1 4.05Å; L267-L271 HydrophobicContact CG-CG 4.44Å; L267-L271 WeakPolarHBondContact O-CG 3.2Å; L267-L271 PolarHBondContact O-N 2.92Å; N268-L271 PolarHBondContact O-N 3.4Å; E269-L271 VanDerWaalsContact C-N 3.32Å; E269-L271 PolarHBondContact O-N 3.28Å; L271-D275 WeakPolarHBondContact O-CB 2.99Å; L271-D275 PolarHBondContact O-N 3.34Å; L271-F278 HydrophobicContact CB-CD2 4.11Å; L271-F278 HydrophobicContact CB-CE1 4.47Å; L271-F278 HydrophobicContact CB-CE2 3.93Å; L271-F278 HydrophobicContact CB-CG 4.45Å; L271-F278 HydrophobicContact CB-CZ 4.13Å; L271-F278 HydrophobicContact CD1-CZ 4.37Å; L271-F278 HydrophobicContact CD2-CE2 3.84Å; L271-F278 HydrophobicContact CD2-CZ 3.93Å; L271-F278 HydrophobicContact CG-CE2 4.4Å; L271-F278 HydrophobicContact CG-CZ 4.37Å; L271-F278 VanDerWaalsContact O-CD2 3.23Å; L271-F278 WeakPolarHBondContact O-CD2 3.32Å; L271-P283 HydrophobicContact CD1-CB 4.4Å; L271-P283 HydrophobicContact CD1-CG 4.44Å
272	V	86.6	Confident	81	Confident	50 Å²	50	63.3 Å²	63.3	30%	0.303	30%	0.3	S	S	.	.	H	α-helix	trans	-80.7	-38.7	-170.8	179.5	0	0	0	0	112.8	N268 F278 P283	N268-V272 VanDerWaalsContact O-CB 3.31Å; N268-V272 WeakPolarHBondContact O-CB 3.43Å; N268-V272 WeakPolarHBondContact O-CG2 3.36Å; N268-V272 PolarHBondContact O-N 3.47Å; V272-F278 HydrophobicContact CG2-CB 4.41Å; V272-P283 HydrophobicContact CG2-CG 3.95Å
273	Q	78.5	Confident	81.4	Confident	128 Å²	128	57.5 Å²	57.5	60%	0.598	27%	0.27	S	S	*	.	H	α-helix	trans	-88	-30.4	-176	-56.9	-175.2	16.1	0	0	113	E269	E269-Q273 HydrophobicContact CB-CG 4.48Å; E269-Q273 WeakPolarHBondContact O-CA 3.46Å; E269-Q273 WeakPolarHBondContact O-CB 3.32Å; E269-Q273 PolarHBondContact O-N 2.96Å
274	F	76.9	Confident	81.6	Confident	83 Å²	83	58.2 Å²	58.2	36%	0.364	27%	0.271	S	S	.	.	H	α-helix	trans	-110.4	-7.5	-173.7	-58	-85.4	0	0	0	114.8	T221 E269 A270	T221-F274 HydrophobicContact CG2-CB 4.44Å; T221-F274 HydrophobicContact CG2-CD1 3.75Å; T221-F274 HydrophobicContact CG2-CE1 4.12Å; T221-F274 HydrophobicContact CG2-CG 4.09Å; E269-F274 WeakPolarHBondContact O-CD2 3.21Å; A270-F274 WeakPolarHBondContact O-CB 3.17Å
275	D	78.7	Confident	81.8	Confident	15 Å²	15	58.2 Å²	58.2	8%	0.08	27%	0.271	C	S	.	.			trans	-117.8	132.4	177.2	-149.6	-37.4	0	0	0	111.8	S222 R240 F241 L271 C277 F278	S222-D275 WeakPolarHBondContact CB-OD2 3.33Å; R240-D275 IonicContact CZ-OD2 2.99Å; R240-D275 IonicContact NE-OD2 2.72Å; R240-D275 PolarHBondContact NE-OD2 3.01Å; R240-D275 IonicContact NH2-OD2 3.59Å; R240-D275 PolarHBondContact NH2-OD2 3.36Å; F241-D275 WeakPolarHBondContact CE1-OD1 3.42Å; L271-D275 WeakPolarHBondContact O-CB 2.99Å; L271-D275 PolarHBondContact O-N 3.34Å; D275-C277 VanDerWaalsContact C-N 3.35Å; D275-C277 PolarHBondContact O-N 2.76Å; D275-F278 HydrophobicContact CB-CD2 3.95Å; D275-F278 HydrophobicContact CB-CE2 4.25Å
276	Q	71.5	Confident	82	Confident	104 Å²	104	56 Å²	56	49%	0.486	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-76	-24.7	-167.9	-62.8	-174.8	14.7	0	0	112.6	F278 R279 V695	Q276-F278 PolarHBondContact O-N 2.89Å; Q276-R279 PolarHBondContact O-N 3Å; Q276-V695 PolarHBondContact NE2-O 2.69Å
277	C	74.5	Confident	82.1	Confident	34 Å²	34	58.3 Å²	58.3	23%	0.23	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-70.2	-16.9	-177.4	59.4	0	0	0	0	114	F241 D275	F241-C277 HydrophobicContact CD1-CB 4.17Å; D275-C277 VanDerWaalsContact C-N 3.35Å; D275-C277 PolarHBondContact O-N 2.76Å
278	F	75.6	Confident	81.8	Confident	5 Å²	5	59.1 Å²	59.1	2%	0.022	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-93.1	8.6	-178.6	-65	-87.9	0	0	0	114.4	V246 L271 V272 D275 Q276 E280 K281 P283	V246-F278 HydrophobicContact CB-CE1 3.76Å; V246-F278 HydrophobicContact CB-CZ 4.23Å; V246-F278 HydrophobicContact CG1-CE1 3.95Å; V246-F278 HydrophobicContact CG1-CZ 4.06Å; V246-F278 HydrophobicContact CG2-CE1 3.7Å; V246-F278 HydrophobicContact CG2-CZ 3.9Å; L271-F278 HydrophobicContact CB-CD2 4.11Å; L271-F278 HydrophobicContact CB-CE1 4.47Å; L271-F278 HydrophobicContact CB-CE2 3.93Å; L271-F278 HydrophobicContact CB-CG 4.45Å; L271-F278 HydrophobicContact CB-CZ 4.13Å; L271-F278 HydrophobicContact CD1-CZ 4.37Å; L271-F278 HydrophobicContact CD2-CE2 3.84Å; L271-F278 HydrophobicContact CD2-CZ 3.93Å; L271-F278 HydrophobicContact CG-CE2 4.4Å; L271-F278 HydrophobicContact CG-CZ 4.37Å; L271-F278 VanDerWaalsContact O-CD2 3.23Å; L271-F278 WeakPolarHBondContact O-CD2 3.32Å; V272-F278 HydrophobicContact CG2-CB 4.41Å; D275-F278 HydrophobicContact CB-CD2 3.95Å; D275-F278 HydrophobicContact CB-CE2 4.25Å; Q276-F278 PolarHBondContact O-N 2.89Å; F278-E280 VanDerWaalsContact C-N 3.3Å; F278-E280 PolarHBondContact O-N 2.73Å; F278-K281 WeakPolarHBondContact CA-O 3.41Å; F278-K281 WeakPolarHBondContact CD1-O 3.33Å; F278-P283 HydrophobicContact CD1-CB 4.34Å; F278-P283 HydrophobicContact CD1-CG 4.26Å; F278-P283 HydrophobicContact CE1-CB 4.04Å; F278-P283 HydrophobicContact CE1-CG 4.37Å
279	R	63.6	Low	81.7	Confident	166 Å²	166	57.3 Å²	57.3	63%	0.626	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-37.6	176.5	-77.7	-172.3	-166.1	166.9	7.9	113	Q276	Q276-R279 PolarHBondContact O-N 3Å
280	E	62.4	Low	82	Confident	186 Å²	186	54.1 Å²	54.1	87%	0.869	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.8	-29.1	-178.9	-64.6	176.9	-179.4	0	0	112.1	F278	F278-E280 VanDerWaalsContact C-N 3.3Å; F278-E280 PolarHBondContact O-N 2.73Å
281	K	77.1	Confident	81.9	Confident	89 Å²	89	56.9 Å²	56.9	39%	0.387	27%	0.267	S	S	.	.	S	Bend	trans	-112.8	92.6	-173.6	-58.7	172.3	-177.9	176.2	0	109.2	F278	F278-K281 WeakPolarHBondContact CA-O 3.41Å; F278-K281 WeakPolarHBondContact CD1-O 3.33Å
282	K	81.5	Confident	81.9	Confident	148 Å²	148	58.7 Å²	58.7	64%	0.643	28%	0.277	S	S	*	.			trans	-69	144	176.8	-70.4	-178.5	-177.9	173.9	0	110.7
283	P	90.7	Very high	82	Confident	1 Å²	1	56.4 Å²	56.4	1%	0.006	26%	0.263	C	S	.	.			trans	-66.4	142.5	171.8	28.9	-30.4	0	0	0	109.9	V246 V248 L271 V272 F278 Y285	V246-P283 HydrophobicContact CG1-CB 4.45Å; V246-P283 WeakPolarHBondContact O-CA 3.49Å; V248-P283 HydrophobicContact CG2-CB 4.35Å; L271-P283 HydrophobicContact CD1-CB 4.4Å; L271-P283 HydrophobicContact CD1-CG 4.44Å; V272-P283 HydrophobicContact CG2-CG 3.95Å; F278-P283 HydrophobicContact CD1-CB 4.34Å; F278-P283 HydrophobicContact CD1-CG 4.26Å; F278-P283 HydrophobicContact CE1-CB 4.04Å; F278-P283 HydrophobicContact CE1-CG 4.37Å; P283-Y285 HydrophobicContact CB-CE2 4.32Å; P283-Y285 HydrophobicContact CG-CE2 4.14Å
284	K	92.2	Very high	82.3	Confident	59 Å²	59	51 Å²	51	26%	0.257	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	138.8	177	-58.1	-176.1	178.1	-173.9	0	110.2	S167 I169 V246 I247 V248	S167-K284 CarbonylContact O-C 3.48Å; S167-K284 VanDerWaalsContact O-CA 3.3Å; S167-K284 WeakPolarHBondContact O-CA 3.5Å; I169-K284 HydrophobicContact CB-CB 4.14Å; I169-K284 HydrophobicContact CB-CD 4.39Å; I169-K284 HydrophobicContact CD1-CD 4.33Å; I169-K284 HydrophobicContact CG2-CB 4.11Å; V246-K284 PolarHBondContact O-N 2.89Å; I247-K284 CarbonylContact C-O 3.46Å; I247-K284 VanDerWaalsContact CA-O 3.25Å; I247-K284 WeakPolarHBondContact CA-O 3.24Å; I247-K284 HydrophobicContact CD1-CB 3.86Å; I247-K284 HydrophobicContact CD1-CD 4.31Å; I247-K284 HydrophobicContact CD1-CG 4.45Å; V248-K284 PolarHBondContact N-O 3.13Å
285	Y	92.7	Very high	82.5	Confident	1 Å²	1	52.5 Å²	52.5	0%	0.004	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	130.1	-176.8	-70.4	-103.4	0	0	0	110.3	L166 S167 M168 I169 V248 L264 N268 P283 L287	L166-Y285 HydrophobicContact CB-CD2 3.86Å; L166-Y285 HydrophobicContact CB-CE2 4.22Å; L166-Y285 HydrophobicContact CB-CG 4.33Å; L166-Y285 HydrophobicContact CD1-CD1 4.04Å; L166-Y285 HydrophobicContact CD1-CD2 4.19Å; L166-Y285 HydrophobicContact CD1-CE1 4.09Å; L166-Y285 HydrophobicContact CD1-CE2 4.26Å; L166-Y285 HydrophobicContact CD1-CG 4.09Å; L166-Y285 HydrophobicContact CD2-CD2 4.29Å; L166-Y285 HydrophobicContact CD2-CE2 3.79Å; L166-Y285 HydrophobicContact CG-CD2 4.33Å; L166-Y285 HydrophobicContact CG-CE2 4.31Å; S167-Y285 PolarHBondContact O-N 3.13Å; M168-Y285 CarbonylContact C-O 3.55Å; M168-Y285 WeakPolarHBondContact CA-O 3.31Å; I169-Y285 PolarHBondContact N-O 3.4Å; V248-Y285 HydrophobicContact CB-CD1 3.67Å; V248-Y285 HydrophobicContact CB-CE1 3.66Å; V248-Y285 HydrophobicContact CB-CG 4.2Å; V248-Y285 HydrophobicContact CG1-CD1 3.83Å; V248-Y285 HydrophobicContact CG1-CE1 3.61Å; V248-Y285 HydrophobicContact CG2-CD1 4.4Å; V248-Y285 HydrophobicContact CG2-CE1 4Å; V248-Y285 HydrophobicContact CG2-CE2 4.49Å; V248-Y285 WeakPolarHBondContact O-CA 3.5Å; L264-Y285 HydrophobicContact CB-CE1 4.26Å; L264-Y285 HydrophobicContact CD2-CD1 4.27Å; L264-Y285 HydrophobicContact CD2-CE1 3.99Å; N268-Y285 WeakPolarHBondContact CA-OH 3.15Å; N268-Y285 WeakPolarHBondContact CB-OH 3.41Å; N268-Y285 PolarHBondContact OD1-OH 3.24Å; P283-Y285 HydrophobicContact CB-CE2 4.32Å; P283-Y285 HydrophobicContact CG-CE2 4.14Å; Y285-L287 PolarHBondContact O-N 2.83Å
286	L	92	Very high	82.8	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	115.4	-175.7	-179.4	61.6	0	0	0	111.4	I169 L174 I201 V248 V249 G288 G289 W293	I169-L286 HydrophobicContact CG2-CB 4.47Å; I169-L286 HydrophobicContact CG2-CD1 4.28Å; L174-L286 HydrophobicContact CB-CD1 4.28Å; L174-L286 HydrophobicContact CD2-CD1 3.79Å; L174-L286 HydrophobicContact CD2-CD2 3.96Å; L174-L286 HydrophobicContact CD2-CG 4.42Å; I201-L286 HydrophobicContact CD1-CD2 4.47Å; V248-L286 PolarHBondContact O-N 3.09Å; V249-L286 HydrophobicContact CG1-CD2 4.07Å; V249-L286 HydrophobicContact CG2-CB 4.05Å; V249-L286 HydrophobicContact CG2-CD2 3.85Å; L286-G288 PolarHBondContact O-N 2.79Å; L286-G289 PolarHBondContact O-N 3.04Å; L286-G289 VanDerWaalsContact O-N 3.07Å; L286-W293 HydrophobicContact CD2-CB 4.14Å
287	L	88.3	Confident	83.5	Confident	50 Å²	50	56.7 Å²	56.7	26%	0.262	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	130.6	179	-175.3	66.5	0	0	0	111.5	M168 I169 C255 Y285 G289 N292	M168-L287 HydrophobicContact CE-CB 4.11Å; M168-L287 HydrophobicContact CE-CD1 3.47Å; M168-L287 VanDerWaalsContact CE-CD1 3.47Å; M168-L287 HydrophobicContact CE-CG 4.39Å; I169-L287 PolarHBondContact O-N 3.02Å; C255-L287 HydrophobicContact CB-CD1 3.89Å; Y285-L287 PolarHBondContact O-N 2.83Å; L287-G289 PolarHBondContact O-N 3.37Å; L287-N292 PolarHBondContact O-ND2 3.48Å
288	G	83.9	Confident	83.8	Confident	17 Å²	17	57.1 Å²	57.1	18%	0.175	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.8	-0.5	-172.7	0	0	0	0	0	114.5	L253 L286 N292	L253-G288 VanDerWaalsContact O-CA 3.28Å; L253-G288 WeakPolarHBondContact O-CA 3.43Å; L253-G288 PolarHBondContact O-N 3.33Å; L286-G288 PolarHBondContact O-N 2.79Å; G288-N292 VanDerWaalsContact C-CB 3.41Å; G288-N292 WeakPolarHBondContact O-CB 3.17Å; G288-N292 PolarHBondContact O-N 2.71Å
289	G	89.4	Confident	84	Confident	0 Å²	0	64.4 Å²	64.4	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	64	-161.8	177.5	0	0	0	0	0	114.9	D250 L286 L287 L291 N292 W293	D250-G289 CarbonylContact O-C 3.57Å; D250-G289 VanDerWaalsContact O-CA 3.22Å; D250-G289 WeakPolarHBondContact O-CA 3.2Å; L286-G289 PolarHBondContact O-N 3.04Å; L286-G289 VanDerWaalsContact O-N 3.07Å; L287-G289 PolarHBondContact O-N 3.37Å; G289-L291 VanDerWaalsContact C-N 3.31Å; G289-L291 PolarHBondContact O-N 3.41Å; G289-N292 PolarHBondContact O-N 3Å; G289-W293 PolarHBondContact O-N 2.96Å
290	F	90.5	Very high	84.9	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-66.6	-32.4	-179.5	-174.2	-99.8	0	0	0	112.6	R191 I201 V249 D250 E251 N292 W293 T294 Y306	R191-F290 VanDerWaalsContact CZ-CD1 3.42Å; R191-F290 VanDerWaalsContact NH1-CE1 3.34Å; I201-F290 HydrophobicContact CG1-CD2 3.98Å; I201-F290 HydrophobicContact CG1-CE2 3.79Å; V249-F290 HydrophobicContact CG1-CB 3.82Å; V249-F290 HydrophobicContact CG1-CD2 4.32Å; D250-F290 PolarHBondContact O-N 2.92Å; E251-F290 PolarHBondContact O-N 3.4Å; F290-N292 VanDerWaalsContact C-N 3.33Å; F290-N292 PolarHBondContact O-N 3.37Å; F290-W293 PolarHBondContact O-N 3.27Å; F290-T294 VanDerWaalsContact CE1-OG1 3.3Å; F290-T294 WeakPolarHBondContact CE1-OG1 3.3Å; F290-T294 PolarHBondContact O-N 3.3Å; F290-T294 PolarHBondContact O-OG1 2.94Å; F290-Y306 AromaticContact CD1-CD1 3.72Å; F290-Y306 HydrophobicContact CD1-CD1 3.72Å; F290-Y306 HydrophobicContact CD1-CD2 4.42Å; F290-Y306 AromaticContact CD1-CE1 3.85Å; F290-Y306 HydrophobicContact CD1-CE1 3.85Å; F290-Y306 HydrophobicContact CD1-CG 4.03Å; F290-Y306 AromaticContact CE1-CD1 3.83Å; F290-Y306 HydrophobicContact CE1-CD1 3.83Å; F290-Y306 HydrophobicContact CE1-CD2 4.03Å; F290-Y306 HydrophobicContact CE1-CE1 4.34Å; F290-Y306 AromaticContact CE1-CG 3.66Å; F290-Y306 HydrophobicContact CE1-CG 3.66Å
291	L	85.9	Confident	86	Confident	58 Å²	58	50.7 Å²	50.7	30%	0.304	24%	0.244	S	C	.	.	H	α-helix	trans	-62.1	-44.4	177.4	-173.4	62.4	0	0	0	110.7	E251 M252 G289 W293 T294 N295	E251-L291 PolarHBondContact O-N 3Å; M252-L291 HydrophobicContact CG-CB 4.12Å; M252-L291 HydrophobicContact CG-CD2 3.97Å; M252-L291 HydrophobicContact SD-CD2 3.61Å; G289-L291 VanDerWaalsContact C-N 3.31Å; G289-L291 PolarHBondContact O-N 3.41Å; L291-W293 PolarHBondContact O-N 2.98Å; L291-T294 PolarHBondContact O-N 2.92Å; L291-N295 PolarHBondContact O-N 3.06Å; L291-N295 VanDerWaalsContact O-N 3.08Å; L291-N295 PolarHBondContact O-ND2 3.37Å
292	N	86.7	Confident	86.1	Confident	39 Å²	39	49.3 Å²	49.3	21%	0.209	24%	0.243	C	C	.	.	H	α-helix	trans	-65.2	-39.6	177.2	-163.4	33.9	0	0	0	112.6	S171 L287 G288 G289 F290 T294 N295 Y296	S171-N292 PolarHBondContact OG-ND2 2.99Å; L287-N292 PolarHBondContact O-ND2 3.48Å; G288-N292 VanDerWaalsContact C-CB 3.41Å; G288-N292 WeakPolarHBondContact O-CB 3.17Å; G288-N292 PolarHBondContact O-N 2.71Å; G289-N292 PolarHBondContact O-N 3Å; F290-N292 VanDerWaalsContact C-N 3.33Å; F290-N292 PolarHBondContact O-N 3.37Å; N292-T294 VanDerWaalsContact C-N 3.32Å; N292-T294 PolarHBondContact O-N 2.99Å; N292-N295 PolarHBondContact O-N 3.25Å; N292-Y296 WeakPolarHBondContact O-CD2 3.31Å; N292-Y296 PolarHBondContact O-N 3.32Å; N292-Y296 VanDerWaalsContact O-N 3.1Å; N292-Y296 WeakPolarHBondContact OD1-CD2 3.45Å; N292-Y296 WeakPolarHBondContact OD1-CE2 3.49Å
293	W	88.8	Confident	85.6	Confident	1 Å²	1	44.1 Å²	44.1	0%	0.004	23%	0.225	C	C	.	.	H	α-helix	trans	-60.3	-41.6	172.4	-179.5	-91.9	0	0	0	112.6	S171 L174 Y175 I178 I201 L286 G289 F290 L291 N295 Y296 Y297 F300 C301	S171-W293 WeakPolarHBondContact O-CZ3 3.37Å; L174-W293 HydrophobicContact CB-CZ3 3.88Å; L174-W293 HydrophobicContact CD2-CE3 3.8Å; L174-W293 HydrophobicContact CD2-CH2 4.33Å; L174-W293 HydrophobicContact CD2-CZ3 3.64Å; L174-W293 HydrophobicContact CG-CE3 4.31Å; L174-W293 HydrophobicContact CG-CH2 4.16Å; L174-W293 HydrophobicContact CG-CZ3 3.64Å; Y175-W293 HydrophobicContact CD2-CH2 4.36Å; I178-W293 HydrophobicContact CD1-CH2 3.7Å; I178-W293 HydrophobicContact CD1-CZ2 4.15Å; I201-W293 HydrophobicContact CD1-CD2 3.98Å; I201-W293 HydrophobicContact CD1-CG 3.97Å; I201-W293 HydrophobicContact CG1-CD2 4.42Å; I201-W293 HydrophobicContact CG1-CG 4.18Å; I201-W293 HydrophobicContact CG2-CZ2 3.78Å; L286-W293 HydrophobicContact CD2-CB 4.14Å; G289-W293 PolarHBondContact O-N 2.96Å; F290-W293 PolarHBondContact O-N 3.27Å; L291-W293 PolarHBondContact O-N 2.98Å; W293-N295 VanDerWaalsContact C-N 3.29Å; W293-N295 PolarHBondContact O-N 3.41Å; W293-Y296 PolarHBondContact O-N 2.96Å; W293-Y297 HydrophobicContact CD2-CD2 4.36Å; W293-Y297 AromaticContact CE3-CD2 3.98Å; W293-Y297 HydrophobicContact CE3-CD2 3.98Å; W293-Y297 HydrophobicContact CH2-CD2 4.27Å; W293-Y297 HydrophobicContact CH2-CG 4.42Å; W293-Y297 AromaticContact CZ3-CD2 3.92Å; W293-Y297 HydrophobicContact CZ3-CD2 3.92Å; W293-Y297 HydrophobicContact CZ3-CE2 4.43Å; W293-Y297 CarbonylContact O-C 3.52Å; W293-Y297 WeakPolarHBondContact O-CA 3.22Å; W293-Y297 PolarHBondContact O-N 3.18Å; W293-F300 HydrophobicContact CZ2-CB 3.81Å; W293-F300 HydrophobicContact CZ2-CG 4.48Å; W293-C301 VanDerWaalsContact CD1-SG 3.57Å
294	T	84.7	Confident	83.9	Confident	16 Å²	16	51.1 Å²	51.1	10%	0.098	26%	0.256	C	S	.	.	H	α-helix	trans	-65.2	-35.1	178.8	-55.4	0	0	0	0	111.1	F290 L291 N292 P298	F290-T294 VanDerWaalsContact CE1-OG1 3.3Å; F290-T294 WeakPolarHBondContact CE1-OG1 3.3Å; F290-T294 PolarHBondContact O-N 3.3Å; F290-T294 PolarHBondContact O-OG1 2.94Å; L291-T294 PolarHBondContact O-N 2.92Å; N292-T294 VanDerWaalsContact C-N 3.32Å; N292-T294 PolarHBondContact O-N 2.99Å; T294-P298 WeakPolarHBondContact O-CA 3.45Å; T294-P298 WeakPolarHBondContact O-CB 3.48Å; T294-P298 WeakPolarHBondContact O-CD 3.45Å
295	N	83	Confident	81.9	Confident	114 Å²	114	52.8 Å²	52.8	61%	0.61	27%	0.265	S	S	*	.	H	α-helix	trans	-69.7	-44.4	177.6	-68.1	-20.5	0	0	0	112.8	L291 N292 W293	L291-N295 PolarHBondContact O-N 3.06Å; L291-N295 VanDerWaalsContact O-N 3.08Å; L291-N295 PolarHBondContact O-ND2 3.37Å; N292-N295 PolarHBondContact O-N 3.25Å; W293-N295 VanDerWaalsContact C-N 3.29Å; W293-N295 PolarHBondContact O-N 3.41Å
296	Y	84.9	Confident	79.8	Confident	158 Å²	158	53.5 Å²	53.5	62%	0.62	27%	0.267	S	S	*	.	H	α-helix	trans	-83.9	-35.7	-178.1	-72.9	-66.6	0	0	0	113.9	N292 W293 P298	N292-Y296 WeakPolarHBondContact O-CD2 3.31Å; N292-Y296 PolarHBondContact O-N 3.32Å; N292-Y296 VanDerWaalsContact O-N 3.1Å; N292-Y296 WeakPolarHBondContact OD1-CD2 3.45Å; N292-Y296 WeakPolarHBondContact OD1-CE2 3.49Å; W293-Y296 PolarHBondContact O-N 2.96Å; Y296-P298 VanDerWaalsContact C-CD 3.45Å
297	Y	86.2	Confident	77.8	Confident	48 Å²	48	61 Å²	61	19%	0.188	30%	0.296	C	S	.	.			trans	-131.6	55.7	-173.3	-59.6	-76.9	0	0	0	113.1	S171 S172 Y175 W293 M299 F300	S171-Y297 VanDerWaalsContact O-CE2 3.3Å; S171-Y297 WeakPolarHBondContact O-CE2 3.46Å; S172-Y297 WeakPolarHBondContact CA-OH 3.15Å; Y175-Y297 AromaticContact CD1-CE1 3.69Å; Y175-Y297 HydrophobicContact CD1-CE1 3.69Å; Y175-Y297 AromaticContact CD2-CD1 3.65Å; Y175-Y297 HydrophobicContact CD2-CD1 3.65Å; Y175-Y297 AromaticContact CD2-CE1 3.65Å; Y175-Y297 HydrophobicContact CD2-CE1 3.65Å; Y175-Y297 HydrophobicContact CD2-CG 4.29Å; Y175-Y297 HydrophobicContact CE1-CE1 4.15Å; Y175-Y297 HydrophobicContact CE2-CD1 4.06Å; Y175-Y297 HydrophobicContact CE2-CE1 4.13Å; Y175-Y297 AromaticContact CG-CD1 3.9Å; Y175-Y297 HydrophobicContact CG-CD1 3.9Å; Y175-Y297 AromaticContact CG-CE1 3.4Å; Y175-Y297 HydrophobicContact CG-CE1 3.4Å; Y175-Y297 HydrophobicContact CG-CE2 4.37Å; Y175-Y297 AromaticContact CG-CZ 3.68Å; W293-Y297 HydrophobicContact CD2-CD2 4.36Å; W293-Y297 AromaticContact CE3-CD2 3.98Å; W293-Y297 HydrophobicContact CE3-CD2 3.98Å; W293-Y297 HydrophobicContact CH2-CD2 4.27Å; W293-Y297 HydrophobicContact CH2-CG 4.42Å; W293-Y297 AromaticContact CZ3-CD2 3.92Å; W293-Y297 HydrophobicContact CZ3-CD2 3.92Å; W293-Y297 HydrophobicContact CZ3-CE2 4.43Å; W293-Y297 CarbonylContact O-C 3.52Å; W293-Y297 WeakPolarHBondContact O-CA 3.22Å; W293-Y297 PolarHBondContact O-N 3.18Å; Y297-M299 VanDerWaalsContact C-N 3.25Å; Y297-M299 PolarHBondContact O-N 3.06Å; Y297-F300 HydrophobicContact CD1-CD2 4.4Å; Y297-F300 PolarHBondContact O-N 3.49Å
298	P	79	Confident	75.6	Confident	44 Å²	44	60.5 Å²	60.5	29%	0.286	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-60.4	-32.3	-175.3	21.8	-32.2	0	0	0	113.6	T294 Y296 F300 C301 F304	T294-P298 WeakPolarHBondContact O-CA 3.45Å; T294-P298 WeakPolarHBondContact O-CB 3.48Å; T294-P298 WeakPolarHBondContact O-CD 3.45Å; Y296-P298 VanDerWaalsContact C-CD 3.45Å; P298-F300 PolarHBondContact O-N 3.11Å; P298-C301 WeakPolarHBondContact O-CB 3.34Å; P298-C301 PolarHBondContact O-N 3.12Å; P298-F304 HydrophobicContact CB-CD2 3.87Å; P298-F304 HydrophobicContact CB-CE2 3.78Å
299	M	79.8	Confident	73.7	Confident	158 Å²	158	62.9 Å²	62.9	78%	0.778	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-61.6	-26.3	176.4	-72	-82.3	-62.6	0	0	113.2	K202 Y297 C301	K202-M299 PolarHBondContact NZ-O 3.39Å; Y297-M299 VanDerWaalsContact C-N 3.25Å; Y297-M299 PolarHBondContact O-N 3.06Å; M299-C301 VanDerWaalsContact C-N 3.27Å; M299-C301 PolarHBondContact O-N 2.81Å
300	F	84.2	Confident	71.1	Confident	61 Å²	61	71.1 Å²	71.1	27%	0.268	35%	0.346	S	S	.	.	G	3₁₀ helix	trans	-92.5	21.7	179.6	-66.5	-91.4	0	0	0	112.3	Y175 I201 K202 W293 Y297 P298	Y175-F300 HydrophobicContact CD2-CD2 4.45Å; Y175-F300 HydrophobicContact CD2-CE2 4.31Å; Y175-F300 HydrophobicContact CD2-CZ 4.47Å; Y175-F300 HydrophobicContact CE2-CD1 4.49Å; Y175-F300 HydrophobicContact CE2-CD2 4.02Å; Y175-F300 AromaticContact CE2-CE1 3.98Å; Y175-F300 HydrophobicContact CE2-CE1 3.98Å; Y175-F300 AromaticContact CE2-CE2 3.46Å; Y175-F300 HydrophobicContact CE2-CE2 3.46Å; Y175-F300 VanDerWaalsContact CE2-CE2 3.46Å; Y175-F300 AromaticContact CE2-CZ 3.46Å; Y175-F300 HydrophobicContact CE2-CZ 3.46Å; Y175-F300 VanDerWaalsContact CE2-CZ 3.46Å; I201-F300 CarbonylContact C-O 3.6Å; I201-F300 WeakPolarHBondContact CA-O 3.41Å; K202-F300 PolarHBondContact N-O 2.95Å; W293-F300 HydrophobicContact CZ2-CB 3.81Å; W293-F300 HydrophobicContact CZ2-CG 4.48Å; Y297-F300 HydrophobicContact CD1-CD2 4.4Å; Y297-F300 PolarHBondContact O-N 3.49Å; P298-F300 PolarHBondContact O-N 3.11Å
301	C	84.1	Confident	68.3	Low	3 Å²	3	76.2 Å²	76.2	2%	0.02	38%	0.382	C	S	.	.	B	Isolated β-bridge	trans	-112.6	146.3	171.7	-59.9	0	0	0	0	110.5	R200 K202 W293 P298 M299 S303	R200-C301 CarbonylContact O-C 3.55Å; R200-C301 WeakPolarHBondContact O-CA 3.34Å; K202-C301 WeakPolarHBondContact CD-O 3.42Å; K202-C301 WeakPolarHBondContact CE-O 3.48Å; K202-C301 PolarHBondContact NZ-O 3.47Å; W293-C301 VanDerWaalsContact CD1-SG 3.57Å; P298-C301 WeakPolarHBondContact O-CB 3.34Å; P298-C301 PolarHBondContact O-N 3.12Å; M299-C301 VanDerWaalsContact C-N 3.27Å; M299-C301 PolarHBondContact O-N 2.81Å; C301-S303 VanDerWaalsContact C-N 3.33Å
302	T	79.4	Confident	65.5	Low	59 Å²	59	78.4 Å²	78.4	36%	0.362	40%	0.401	S	S	.	.	S	Bend	trans	-66	-33.9	175.9	50.5	0	0	0	0	113.3	S199 R200 K202	S199-T302 WeakPolarHBondContact CA-OG1 3.39Å; R200-T302 HydrophobicContact CG-CG2 3.45Å; R200-T302 VanDerWaalsContact CG-CG2 3.45Å; R200-T302 WeakPolarHBondContact CG-OG1 3.41Å; R200-T302 PolarHBondContact N-OG1 3.28Å; R200-T302 PolarHBondContact O-N 2.86Å; R200-T302 PolarHBondContact O-OG1 3.37Å; K202-T302 HydrophobicContact CG-CG2 3.91Å
303	S	71	Confident	62.8	Low	40 Å²	40	81.9 Å²	81.9	28%	0.28	43%	0.429	S	S	.	.			trans	-133	137.9	173.8	-177.5	0	0	0	0	110.3	K198 S199 C301 E305	K198-S303 WeakPolarHBondContact O-CB 3.46Å; S199-S303 WeakPolarHBondContact CB-O 3.21Å; S199-S303 PolarHBondContact OG-N 2.86Å; S199-S303 PolarHBondContact OG-O 2.98Å; C301-S303 VanDerWaalsContact C-N 3.33Å; S303-E305 VanDerWaalsContact C-N 3.32Å; S303-E305 PolarHBondContact OG-N 3.5Å
304	F	56.1	Low	60	Low	147 Å²	147	87.6 Å²	87.6	65%	0.645	47%	0.466	S	S	*	.	S	Bend	trans	-76.7	-20.3	176.2	-175.6	-102.2	0	0	0	112.1	P298 Y306	P298-F304 HydrophobicContact CB-CD2 3.87Å; P298-F304 HydrophobicContact CB-CE2 3.78Å; F304-Y306 PolarHBondContact O-N 2.87Å
305	E	48.6	Very low	57.1	Low	95 Å²	95	96 Å²	96	44%	0.444	50%	0.504	S	S	.	.			trans	-93	55.1	-174.4	-67.8	-175.6	-145.8	0	0	113.7	K52 S303	K52-E305 IonicContact NZ-OE2 2.81Å; K52-E305 PolarHBondContact NZ-OE2 2.94Å; S303-E305 VanDerWaalsContact C-N 3.32Å; S303-E305 PolarHBondContact OG-N 3.5Å
306	Y	49.6	Very low	54.5	Low	16 Å²	16	98.2 Å²	98.2	6%	0.063	52%	0.515	C	S	.	.			trans	-85.7	116.9	172.4	-174	-105	0	0	0	111.9	R191 D195 E251 F290 F304	R191-Y306 PolarHBondContact NH1-OH 3.39Å; D195-Y306 HydrophobicContact CB-CE2 3.72Å; E251-Y306 PolarHBondContact OE1-OH 2.91Å; F290-Y306 AromaticContact CD1-CD1 3.72Å; F290-Y306 HydrophobicContact CD1-CD1 3.72Å; F290-Y306 HydrophobicContact CD1-CD2 4.42Å; F290-Y306 AromaticContact CD1-CE1 3.85Å; F290-Y306 HydrophobicContact CD1-CE1 3.85Å; F290-Y306 HydrophobicContact CD1-CG 4.03Å; F290-Y306 AromaticContact CE1-CD1 3.83Å; F290-Y306 HydrophobicContact CE1-CD1 3.83Å; F290-Y306 HydrophobicContact CE1-CD2 4.03Å; F290-Y306 HydrophobicContact CE1-CE1 4.34Å; F290-Y306 AromaticContact CE1-CG 3.66Å; F290-Y306 HydrophobicContact CE1-CG 3.66Å; F304-Y306 PolarHBondContact O-N 2.87Å
307	R	50	Low	51.6	Low	158 Å²	158	98.3 Å²	98.3	60%	0.596	53%	0.526	S	S	*	.			trans	-135.4	134.2	164.4	-76.2	-171.5	-176.3	179.5	2	110
308	S	42.8	Very low	48.9	Very low	38 Å²	38	100.9 Å²	100.9	27%	0.266	55%	0.549	S	S	.	.			trans	-61.4	142.8	-178.8	-43.9	0	0	0	0	112.8	E251 E310	E251-S308 WeakPolarHBondContact OE1-CB 3.33Å; E251-S308 PolarHBondContact OE1-OG 3.02Å; S308-E310 VanDerWaalsContact C-N 3.33Å; S308-E310 PolarHBondContact O-N 3.31Å
309	T	44.1	Very low	46.3	Very low	67 Å²	67	104.6 Å²	104.6	41%	0.411	57%	0.57	S	S	.	*	T	Hydrogen-bonded Turn	trans	-78.2	-6.8	-177.2	44.1	0	0	0	0	115.4	D195 S311 S312	D195-T309 PolarHBondContact OD2-OG1 3.43Å; T309-S311 PolarHBondContact O-N 3.43Å; T309-S312 PolarHBondContact O-OG 3.42Å
310	E	33.3	Very low	43.6	Very low	173 Å²	173	103.9 Å²	103.9	81%	0.808	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.5	10.4	-175.2	-64	-163.3	168.1	0	0	115.6	S308	S308-E310 VanDerWaalsContact C-N 3.33Å; S308-E310 PolarHBondContact O-N 3.31Å
311	S	31.8	Very low	40.8	Very low	108 Å²	108	109.9 Å²	109.9	76%	0.755	60%	0.604	S	S	*	*			trans	-101.6	57.2	165.7	57.8	0	0	0	0	111.8	T309	T309-S311 PolarHBondContact O-N 3.43Å
312	S	27.6	Very low	38.3	Very low	103 Å²	103	117.9 Å²	117.9	72%	0.72	65%	0.645	S	S	*	*			trans	-111.7	86.3	172.7	44.1	0	0	0	0	111.3	T309	T309-S312 PolarHBondContact O-OG 3.42Å
313	S	29.3	Very low	35.8	Very low	113 Å²	113	120.6 Å²	120.6	79%	0.79	67%	0.666	S	S	*	*			trans	-65.9	154.7	165.2	-41.2	0	0	0	0	111.1
314	P	31	Very low	33.9	Very low	121 Å²	121	122.1 Å²	122.1	79%	0.786	69%	0.688	S	S	*	*			trans	-84.4	143.6	-151.1	29.2	-30.4	0	0	0	116.4
315	Q	23.8	Very low	32.7	Very low	191 Å²	191	120.4 Å²	120.4	89%	0.893	69%	0.69	S	S	*	*			trans	-30.3	121.8	167.6	-61.1	-96.6	-13.6	0	0	115.9
316	L	27.5	Very low	31.8	Very low	161 Å²	161	124 Å²	124	84%	0.843	71%	0.711	S	S	*	*			trans	-135.6	109.6	158.7	-89.2	166	0	0	0	111.6
317	L	24.7	Very low	30.7	Very low	160 Å²	160	130.3 Å²	130.3	84%	0.838	75%	0.745	S	S	*	*			trans	17.5	156	148.3	-68	159.7	0	0	0	123.7
318	P	28.7	Very low	29.8	Very low	103 Å²	103	130 Å²	130	67%	0.669	75%	0.754	S	S	*	*			trans	-111.2	170	-154.7	41.5	-31.1	0	0	0	116.7
319	T	23.9	Very low	28.9	Very low	121 Å²	121	135.4 Å²	135.4	74%	0.742	78%	0.78	S	S	*	*			trans	85.8	116.1	158.3	69.5	0	0	0	0	119.4
320	T	24.7	Very low	28.3	Very low	143 Å²	143	139.6 Å²	139.6	88%	0.877	79%	0.789	S	S	*	*				172.1	147.2	100.2	33	0	0	0	0	112.4
321	E	25.6	Very low	28	Very low	188 Å²	188	137 Å²	137	88%	0.879	79%	0.787	S	S	*	*			trans	-70.7	140.6	-174.7	-57.9	165.2	144	0	0	113.4
322	I	30.8	Very low	27.6	Very low	171 Å²	171	141.9 Å²	141.9	88%	0.877	80%	0.795	S	S	*	*			trans	-140.1	120.4	148.3	-61.2	-175.3	0	0	0	110.3
323	S	26.9	Very low	27.7	Very low	115 Å²	115	145.2 Å²	145.2	80%	0.804	80%	0.804	S	S	*	*			trans	-79.5	142.7	169.5	-170.7	0	0	0	0	110.7
324	G	30.2	Very low	27.8	Very low	72 Å²	72	149.3 Å²	149.3	74%	0.742	81%	0.807	S	S	*	*			trans	175.4	65.1	179.5	0	0	0	0	0	116
325	T	31.5	Very low	27.5	Very low	111 Å²	111	152.6 Å²	152.6	68%	0.681	81%	0.812	S	S	*	*			trans	5.5	126.6	145.9	-33.9	0	0	0	0	118.7	L327	T325-L327 HydrophobicContact CG2-CD1 4.23Å
326	L	30.8	Very low	27.9	Very low	172 Å²	172	153.3 Å²	153.3	90%	0.901	81%	0.813	S	S	*	*			trans	-150.5	117.6	139.5	-79.6	-174.4	0	0	0	112
327	L	25.3	Very low	27.9	Very low	148 Å²	148	154.9 Å²	154.9	78%	0.775	82%	0.816	S	S	*	*			trans	-70.1	140.7	167.5	-81.8	88.4	0	0	0	110.7	T325	T325-L327 HydrophobicContact CG2-CD1 4.23Å
328	I	31.3	Very low	27.9	Very low	150 Å²	150	154.6 Å²	154.6	77%	0.769	82%	0.815	S	S	*	*			trans	-134.8	129.8	162.8	-55.1	-178.8	0	0	0	110.6
329	N	25	Very low	27.8	Very low	152 Å²	152	153.3 Å²	153.3	81%	0.813	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-86.2	141.1	-177.1	-85	-34.6	0	0	0	112.6
330	Y	30.3	Very low	27.7	Very low	155 Å²	155	156.7 Å²	156.7	61%	0.608	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-100.8	139	-177.3	-75.6	-94	0	0	0	113.8	V106	V106-Y330 HydrophobicContact CG1-CE1 4.18Å; V106-Y330 WeakPolarHBondContact CG1-OH 3.46Å
331	P	26.8	Very low	27.6	Very low	118 Å²	118	156.4 Å²	156.4	77%	0.766	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-85.1	148.6	175.6	32.1	-32.9	0	0	0	113.9
332	K	24.9	Very low	27.4	Very low	212 Å²	212	153.7 Å²	153.7	92%	0.922	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-81.8	133.1	-170.7	-62.7	179.5	178.9	-179.2	0	113.1
333	L	28.8	Very low	27.1	Very low	173 Å²	173	152.2 Å²	152.2	91%	0.906	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-92.3	145.3	178.2	-74.4	161.4	0	0	0	112.1
334	K	30.9	Very low	26.7	Very low	198 Å²	198	153.7 Å²	153.7	86%	0.861	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-75.4	139.3	-172.4	-70.3	178.4	177	178.3	0	113.3
335	E	25.4	Very low	26.3	Very low	191 Å²	191	156.6 Å²	156.6	89%	0.893	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-73.4	132.9	179.4	-65.2	167.6	172.7	0	0	111.1
336	F	31.1	Very low	25.9	Very low	205 Å²	205	159.6 Å²	159.6	90%	0.899	82%	0.822	S	S	*	*			trans	-116.4	127.6	166.2	-98.3	-86.2	0	0	0	109.1
337	E	28.4	Very low	25.4	Very low	194 Å²	194	156.9 Å²	156.9	91%	0.907	82%	0.818	S	S	*	*			trans	-73.4	147.1	-167.7	-69	178	147	0	0	114.1
338	N	24.4	Very low	25.3	Very low	155 Å²	155	154.2 Å²	154.2	83%	0.829	82%	0.817	S	S	*	*			trans	-64.1	128.8	-179	-66.4	-45	0	0	0	113
339	G	27.1	Very low	24.9	Very low	76 Å²	76	151.7 Å²	151.7	78%	0.784	82%	0.818	S	S	*	*			trans	-127.2	82.1	165.8	0	0	0	0	0	111
340	F	21.9	Very low	24.7	Very low	192 Å²	192	149 Å²	149	84%	0.842	82%	0.817	S	S	*	*			trans	-75.3	119.3	165.6	-97.7	-97.4	0	0	0	109.3
341	T	23.3	Very low	24.4	Very low	137 Å²	137	147.8 Å²	147.8	84%	0.84	83%	0.828	S	S	*	*			trans	-145.4	119.8	151.5	44.8	0	0	0	0	111.3
342	T	20.7	Very low	24.1	Very low	130 Å²	130	146.9 Å²	146.9	80%	0.798	83%	0.831	S	S	*	*			trans	-73.6	135	166.7	47.2	0	0	0	0	111.3
343	V	23.7	Very low	24.1	Very low	141 Å²	141	141.8 Å²	141.8	86%	0.855	83%	0.828	S	S	*	*			trans	-144	125.6	153.5	-176	0	0	0	0	109.8
344	N	19.9	Very low	23.8	Very low	145 Å²	145	138.7 Å²	138.7	78%	0.775	82%	0.821	S	S	*	*			trans	-83.1	164.7	169.1	-81.9	-25.8	0	0	0	111.4
345	N	21.9	Very low	23.4	Very low	133 Å²	133	139.4 Å²	139.4	71%	0.711	83%	0.825	S	S	*	*			trans	105.3	111.6	153.9	-68.1	-1.5	0	0	0	119
346	E	21.3	Very low	23.2	Very low	174 Å²	174	135.7 Å²	135.7	81%	0.813	82%	0.82	S	S	*	*				71.9	118.1	122.1	-65.7	-176.5	156.3	0	0	121.8
347	S	21.5	Very low	22.9	Very low	115 Å²	115	131.5 Å²	131.5	80%	0.804	82%	0.816	S	S	*	*				86.6	136	124.7	-161.3	0	0	0	0	121.2
348	A	22.1	Very low	22.5	Very low	92 Å²	92	127.7 Å²	127.7	76%	0.76	81%	0.811	S	S	*	*			trans	72.2	113.8	151.2	0	0	0	0	0	118.5
349	A	23.1	Very low	22.5	Very low	97 Å²	97	128.9 Å²	128.9	80%	0.802	82%	0.816	S	S	*	*				163.6	138	82	0	0	0	0	0	110.3
350	A	20.5	Very low	22.2	Very low	95 Å²	95	134.6 Å²	134.6	79%	0.785	82%	0.819	S	S	*	*			trans	-68.9	167.2	170.4	0	0	0	0	0	112.2
351	P	25	Very low	22.8	Very low	130 Å²	130	130.7 Å²	130.7	84%	0.844	81%	0.813	S	S	*	*				-129	138.9	124	33.1	-22.6	0	0	0	112.4
352	A	20.4	Very low	22.8	Very low	99 Å²	99	133.5 Å²	133.5	82%	0.818	82%	0.817	S	S	*	*			trans	-85.9	146.5	168.8	0	0	0	0	0	110.4
353	A	25.8	Very low	22.7	Very low	105 Å²	105	135.5 Å²	135.5	87%	0.868	82%	0.819	S	S	*	*			trans	-149.4	109.8	151.6	0	0	0	0	0	109.5
354	S	21.4	Very low	22.9	Very low	108 Å²	108	134.1 Å²	134.1	76%	0.755	81%	0.813	S	S	*	*			trans	-75.2	139	170.8	46.1	0	0	0	0	111.9
355	F	23.2	Very low	23.3	Very low	214 Å²	214	133.6 Å²	133.6	94%	0.939	82%	0.815	S	S	*	*			trans	-137.6	116.7	146.6	-100.9	-84.1	0	0	0	109.3
356	S	20.9	Very low	23.4	Very low	112 Å²	112	136.5 Å²	136.5	78%	0.783	82%	0.821	S	S	*	*			trans	-105.5	141.4	160.4	72.7	0	0	0	0	107.9
357	S	24.3	Very low	23.5	Very low	117 Å²	117	133 Å²	133	82%	0.818	82%	0.822	S	S	*	*			trans	-164.1	122.7	141.6	68.9	0	0	0	0	110.6
358	S	21.1	Very low	23.8	Very low	114 Å²	114	131.3 Å²	131.3	80%	0.797	82%	0.823	S	S	*	*			trans	-53	144.9	168.1	-54.2	0	0	0	0	114.3
359	L	24.2	Very low	24	Very low	181 Å²	181	139.2 Å²	139.2	95%	0.948	83%	0.833	S	S	*	*			trans	-148.4	121	136.8	-80.2	-178.8	0	0	0	110.5
360	K	20.8	Very low	24.3	Very low	195 Å²	195	138.1 Å²	138.1	85%	0.848	83%	0.831	S	S	*	*			trans	-108	-179.5	154.7	-87.1	-173.2	175.9	179.5	0	106.1
361	P	34.4	Very low	24.7	Very low	110 Å²	110	145.1 Å²	145.1	71%	0.714	84%	0.837	S	S	*	*				-130.5	172.9	-53.9	37.7	-22.4	0	0	0	110.9
362	E	21.9	Very low	24.9	Very low	197 Å²	197	144.1 Å²	144.1	92%	0.921	83%	0.831	S	S	*	*			trans	-166.5	130.9	145	-112.6	170	-164.3	0	0	113.4
363	M	19.8	Very low	25.4	Very low	171 Å²	171	145.1 Å²	145.1	84%	0.842	83%	0.829	S	S	*	*			trans	-83.9	159.5	158.4	-78	177.7	59.8	0	0	108.5
364	P	26.9	Very low	25.6	Very low	112 Å²	112	149.5 Å²	149.5	73%	0.727	83%	0.832	S	S	*	*			cis	-144.4	174.8	49.2	30.3	-4.4	0	0	0	113.9
365	V	28.6	Very low	26.2	Very low	134 Å²	134	151.3 Å²	151.3	81%	0.812	83%	0.832	S	S	*	*				-179.2	151.1	86.2	165.2	0	0	0	0	110
366	K	23.8	Very low	26.7	Very low	194 Å²	194	146.8 Å²	146.8	84%	0.843	82%	0.817	S	S	*	*			trans	-61.4	145	-172.2	-67.1	164.8	172	173.1	0	118.3
367	A	23.5	Very low	27.5	Very low	100 Å²	100	152.9 Å²	152.9	83%	0.826	82%	0.823	S	S	*	*				47.1	107.9	126.7	0	0	0	0	0	120.9
368	G	28.2	Very low	27.9	Very low	80 Å²	80	156.2 Å²	156.2	83%	0.825	82%	0.823	S	S	*	*			trans	-118.7	114.9	153.6	0	0	0	0	0	110.8	G370	G368-G370 PolarHBondContact O-N 2.95Å
369	R	26.1	Very low	28.5	Very low	258 Å²	258	158.2 Å²	158.2	97%	0.974	82%	0.823	S	S	*	*			trans	-76.9	104.1	172.7	-72.9	179.7	175.8	-175.4	-1.7	109.6
370	G	29	Very low	28.8	Very low	75 Å²	75	159.1 Å²	159.1	77%	0.773	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-83.1	124.1	169.5	0	0	0	0	0	111.6	G368	G368-G370 PolarHBondContact O-N 2.95Å
371	R	29.7	Very low	29.3	Very low	241 Å²	241	155.6 Å²	155.6	91%	0.909	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-70.2	137.7	178.2	-131.1	-179.3	-151	-158.3	5.9	110.3
372	P	28.7	Very low	29.3	Very low	109 Å²	109	162 Å²	162	71%	0.708	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-70.9	149.2	178	27.2	-32.3	0	0	0	112.1
373	P	31.4	Very low	29.5	Very low	120 Å²	120	159.1 Å²	159.1	78%	0.779	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-71.1	135.8	-172	26.2	-32.4	0	0	0	112.9
374	Q	28.8	Very low	30	Very low	197 Å²	197	157.1 Å²	157.1	92%	0.921	82%	0.82	S	S	*	*			trans	-81.3	112.9	173.5	-73.9	-168.6	-41.9	0	0	110.4
375	I	35	Very low	30	Very low	147 Å²	147	157.7 Å²	157.7	75%	0.754	82%	0.823	S	S	*	*			trans	-86.8	115.8	174	-61.9	171.9	0	0	0	108.8	R377	I375-R377 PolarHBondContact O-N 3.31Å
376	D	34.1	Very low	30.1	Very low	119 Å²	119	163.1 Å²	163.1	64%	0.636	83%	0.829	S	S	*	*			trans	-73.4	109.8	178.6	-165.6	-10.7	0	0	0	111.2	K378	D376-K378 PolarHBondContact O-N 3.34Å; D376-K378 PolarHBondContact OD1-N 3.12Å
377	R	36.7	Very low	30.4	Very low	240 Å²	240	162 Å²	162	91%	0.906	83%	0.832	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81	13.1	-173.2	-69.5	-177.8	174.9	178.7	-1.9	114.4	I375	I375-R377 PolarHBondContact O-N 3.31Å
378	K	34.3	Very low	30.6	Very low	187 Å²	187	165.6 Å²	165.6	81%	0.813	84%	0.836	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.6	-6.4	-177.2	-70.9	-173.2	179.6	178.9	0	115.8	D376 K380	D376-K378 PolarHBondContact O-N 3.34Å; D376-K378 PolarHBondContact OD1-N 3.12Å; K378-K380 PolarHBondContact O-N 3.16Å
379	L	32.2	Very low	30.8	Very low	155 Å²	155	173.4 Å²	173.4	81%	0.812	84%	0.841	S	S	*	*			trans	-95.9	99.6	179.3	-74.6	160.2	0	0	0	111.3
380	K	32	Very low	30.8	Very low	201 Å²	201	169.3 Å²	169.3	87%	0.874	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-77.6	129.3	167.4	-80.3	-177.5	177.1	178.5	0	109.9	K378	K378-K380 PolarHBondContact O-N 3.16Å
381	P	31.3	Very low	30.6	Very low	121 Å²	121	175.1 Å²	175.1	79%	0.786	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-62.4	138.1	175.1	-21.6	32.2	0	0	0	112.7	T383	P381-T383 PolarHBondContact O-N 3.41Å
382	R	32.9	Very low	30.6	Very low	245 Å²	245	171.5 Å²	171.5	93%	0.925	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-63.6	120.7	-175.9	-146.1	174.7	-177.3	-177	0.3	110.5
383	T	27.7	Very low	30.4	Very low	135 Å²	135	172.1 Å²	172.1	83%	0.828	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-76	121.2	-179.1	-35.3	0	0	0	0	110.4	P381	P381-T383 PolarHBondContact O-N 3.41Å
384	V	29	Very low	30.3	Very low	129 Å²	129	171.7 Å²	171.7	78%	0.782	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-87.1	132.6	171.5	-153.6	0	0	0	0	108.6	R386	V384-R386 PolarHBondContact O-N 2.84Å
385	P	27.6	Very low	30.1	Very low	124 Å²	124	172.2 Å²	172.2	81%	0.805	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-73.5	127.8	-168.7	-14.3	29.6	0	0	0	112.8
386	R	30.7	Very low	29.4	Very low	249 Å²	249	174.1 Å²	174.1	94%	0.94	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-92	122.8	176.2	-162.3	174.5	-175	168.1	3.1	110.5	V384	V384-R386 PolarHBondContact O-N 2.84Å
387	L	30.4	Very low	29	Very low	170 Å²	170	174.6 Å²	174.6	89%	0.89	85%	0.849	S	S	*	*	P	Polyproline II helix	trans	-49.8	135.9	176.5	-89	136.6	0	0	0	113.5	R389	L387-R389 PolarHBondContact O-N 3.33Å
388	L	26.8	Very low	28.4	Very low	175 Å²	175	170 Å²	170	92%	0.916	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-60.2	116.3	-178.6	-64.3	160	0	0	0	111.5
389	R	31.7	Very low	27.8	Very low	245 Å²	245	168.6 Å²	168.6	93%	0.925	84%	0.843	S	S	*	*	P	Polyproline II helix	trans	-98.1	129.5	159.5	-87.3	-172.2	179	177.8	0.2	109.7	L387	L387-R389 PolarHBondContact O-N 3.33Å
390	L	27.7	Very low	27.6	Very low	172 Å²	172	168.2 Å²	168.2	90%	0.901	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-54.2	138.2	-171.7	-72.3	150.5	0	0	0	113.5	I392	L390-I392 PolarHBondContact O-N 3.12Å
391	K	25	Very low	27.3	Very low	197 Å²	197	164.1 Å²	164.1	86%	0.857	83%	0.833	S	S	*	*			trans	-69	114.3	174	-68.8	177.3	177.3	177.5	0	109.7
392	I	28.2	Very low	26.7	Very low	164 Å²	164	167.6 Å²	167.6	84%	0.841	84%	0.835	S	S	*	*			trans	-82.5	114.6	160.9	-63.3	173.8	0	0	0	106.6	L390	L390-I392 PolarHBondContact O-N 3.12Å
393	V	25.2	Very low	26.4	Very low	123 Å²	123	162.9 Å²	162.9	75%	0.745	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-76.8	122.9	178	178.1	0	0	0	0	108.7
394	P	28.3	Very low	26.1	Very low	111 Å²	111	161.2 Å²	161.2	72%	0.721	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-68.6	130.8	174.7	-15	29	0	0	0	110.7	Q396	P394-Q396 PolarHBondContact O-N 2.78Å
395	K	24.8	Very low	25.9	Very low	207 Å²	207	164.1 Å²	164.1	90%	0.9	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-59.7	122.9	169.7	-88.7	-179.6	173.2	178.2	0	109.7
396	Q	21.6	Very low	25.5	Very low	188 Å²	188	168 Å²	168	88%	0.879	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-62.5	126.5	167.2	-67.7	168.5	-33.4	0	0	109.7	P394	P394-Q396 PolarHBondContact O-N 2.78Å
397	T	24.3	Very low	25.2	Very low	129 Å²	129	164.4 Å²	164.4	79%	0.791	83%	0.829	S	S	*	*			trans	-132.1	92.5	152.8	-46.6	0	0	0	0	108.3
398	I	24.4	Very low	24.8	Very low	144 Å²	144	163.1 Å²	163.1	74%	0.738	82%	0.823	S	S	*	*			trans	41.8	104.9	137.4	-55.4	164.1	0	0	0	117.1
399	D	22.1	Very low	24.5	Very low	157 Å²	157	163.5 Å²	163.5	84%	0.84	82%	0.818	S	S	*	*			trans	-64.4	122.4	161.7	-142.3	-12.5	0	0	0	110.1
400	L	28.6	Very low	24.1	Very low	146 Å²	146	158.4 Å²	158.4	76%	0.764	81%	0.814	S	S	*	*			trans	-104.6	98.9	166.5	-79.1	165.5	0	0	0	107.7
401	T	24.6	Very low	23.8	Very low	116 Å²	116	159 Å²	159	71%	0.712	81%	0.809	S	S	*	*			trans	40.2	102.9	147.4	56.6	0	0	0	0	116.5
402	K	19.9	Very low	23.7	Very low	193 Å²	193	156.5 Å²	156.5	84%	0.839	81%	0.805	S	S	*	*				35	100.2	89.3	-78	-172.3	178	178.9	0	113.8
403	D	25.3	Very low	23.3	Very low	146 Å²	146	153.2 Å²	153.2	78%	0.781	80%	0.802	S	S	*	*				-166.9	116.8	123.7	-90.5	-37.5	0	0	0	107.3
404	S	21.9	Very low	23.4	Very low	101 Å²	101	152.5 Å²	152.5	71%	0.706	80%	0.8	S	S	*	*				70.1	112.1	104.3	-53.7	0	0	0	0	109.8
405	E	23.7	Very low	23	Very low	189 Å²	189	153.5 Å²	153.5	88%	0.883	80%	0.804	S	S	*	*				-168.7	158.8	58.1	-84.9	179.5	143.9	0	0	111.6
406	K	19.5	Very low	22.9	Very low	207 Å²	207	150.5 Å²	150.5	90%	0.9	80%	0.798	S	S	*	*			trans	-64.8	131.9	168.9	-63.2	165.7	176.2	173.5	0	110.3
407	I	25.3	Very low	22.8	Very low	173 Å²	173	147 Å²	147	89%	0.887	79%	0.79	S	S	*	*			trans	-125.7	134	153.2	-65	-179.3	0	0	0	108.7
408	D	22.1	Very low	22.9	Very low	142 Å²	142	147.5 Å²	147.5	76%	0.759	79%	0.792	S	S	*	*			trans	-83.4	169.2	-160.3	-150.2	-10.6	0	0	0	113.5
409	K	19.4	Very low	22.6	Very low	184 Å²	184	146.1 Å²	146.1	80%	0.8	79%	0.79	S	S	*	*			trans	-71.4	133.8	179.8	-61.6	161.6	176.1	172.8	0	112.4
410	T	24.5	Very low	22.5	Very low	138 Å²	138	142.1 Å²	142.1	85%	0.847	78%	0.779	S	S	*	*			trans	-145.3	114	147.4	47.3	0	0	0	0	105.1
411	K	21	Very low	22.2	Very low	185 Å²	185	142.5 Å²	142.5	80%	0.804	78%	0.782	S	S	*	*				53.8	116.2	61.4	-82.5	-161.6	176.6	-171.2	0	115.7
412	D	23	Very low	22	Very low	143 Å²	143	141.6 Å²	141.6	77%	0.765	78%	0.78	S	S	*	*			trans	85.4	107.9	154	-53.8	-34.7	0	0	0	119.5
413	A	20.7	Very low	22.4	Very low	95 Å²	95	140.4 Å²	140.4	79%	0.785	78%	0.782	S	S	*	*				24.6	155.6	124.6	0	0	0	0	0	119.9
414	P	27.3	Very low	22.2	Very low	108 Å²	108	140.9 Å²	140.9	70%	0.701	79%	0.785	S	S	*	*			cis	-142.2	168.3	25.5	36	-13.9	0	0	0	117.4
415	V	19.1	Very low	22.5	Very low	132 Å²	132	141.2 Å²	141.2	80%	0.8	79%	0.794	S	S	*	*			trans	-61.1	122.4	160.1	174	0	0	0	0	109.1
416	N	22.7	Very low	22.5	Very low	145 Å²	145	136 Å²	136	78%	0.775	79%	0.79	S	S	*	*			trans	-113	110.2	165.3	-97.8	-19.4	0	0	0	109.8
417	T	20.3	Very low	22.7	Very low	115 Å²	115	134.2 Å²	134.2	71%	0.706	79%	0.79	S	S	*	*			trans	-60.4	123	159.6	-41.1	0	0	0	0	108.8	V419	T417-V419 HydrophobicContact CG2-CG2 4.04Å
418	V	25	Very low	22.7	Very low	139 Å²	139	135 Å²	135	84%	0.842	79%	0.79	S	S	*	*			trans	-106.6	119	162.2	176.3	0	0	0	0	107.4
419	V	18.5	Very low	22.8	Very low	115 Å²	115	132.9 Å²	132.9	70%	0.697	79%	0.792	S	S	*	*			trans	-99.4	145.4	174.9	169.6	0	0	0	0	108.2	T417	T417-V419 HydrophobicContact CG2-CG2 4.04Å
420	A	20.3	Very low	23.2	Very low	73 Å²	73	129 Å²	129	60%	0.603	79%	0.794	S	S	*	*			trans	71.4	117	153.5	0	0	0	0	0	119.8
421	N	21.8	Very low	23	Very low	154 Å²	154	131.3 Å²	131.3	82%	0.824	80%	0.795	S	S	*	*				162.8	117.6	103.6	-87.7	-30.8	0	0	0	108.5
422	S	21.7	Very low	23.1	Very low	97 Å²	97	129.8 Å²	129.8	68%	0.678	79%	0.794	S	S	*	*				73	113	99.5	-170.4	0	0	0	0	113
423	L	28.4	Very low	23.2	Very low	168 Å²	168	128.9 Å²	128.9	88%	0.88	80%	0.798	S	S	*	*				-174.6	116.7	126.1	-97.2	150.2	0	0	0	110.4
424	D	20.3	Very low	23.2	Very low	156 Å²	156	129.4 Å²	129.4	83%	0.834	80%	0.802	S	S	*	*			trans	-54.6	143.1	160.8	-72.5	-58.2	0	0	0	112.4
425	A	27.8	Very low	23.3	Very low	108 Å²	108	129 Å²	129	89%	0.893	81%	0.808	S	S	*	*			trans	-168.4	125.1	139.9	0	0	0	0	0	111.1
426	G	24.7	Very low	23.7	Very low	79 Å²	79	131.9 Å²	131.9	81%	0.814	81%	0.812	S	S	*	*			trans	119.2	74.2	141.8	0	0	0	0	0	118.5
427	L	22.3	Very low	23.6	Very low	170 Å²	170	133 Å²	133	89%	0.89	82%	0.819	S	S	*	*			trans	-57.6	141.3	154.7	-100.5	79.1	0	0	0	112.7
428	Q	27	Very low	24.2	Very low	190 Å²	190	132.2 Å²	132.2	89%	0.888	82%	0.824	S	S	*	*			trans	-173	97.1	134.8	-104.8	167.6	10.9	0	0	107.9
429	A	22.6	Very low	24.2	Very low	97 Å²	97	129.2 Å²	129.2	80%	0.802	82%	0.821	S	S	*	*				70.4	100.8	84.6	0	0	0	0	0	114.3
430	A	27.7	Very low	24.9	Very low	102 Å²	102	129.3 Å²	129.3	84%	0.843	82%	0.824	S	S	*	*			trans	-167.2	97.7	138.8	0	0	0	0	0	110.7
431	Q	21.2	Very low	25.3	Very low	186 Å²	186	135.6 Å²	135.6	87%	0.869	84%	0.838	S	S	*	*			trans	-50.2	153.8	150.2	-75	152.6	-58.2	0	0	109.2
432	I	22.2	Very low	25.6	Very low	153 Å²	153	134.3 Å²	134.3	79%	0.785	84%	0.841	S	S	*	*				-171	132.7	65.3	-68	170.5	0	0	0	103.3
433	C	25.7	Very low	26	Very low	125 Å²	125	133 Å²	133	85%	0.845	84%	0.842	S	S	*	*				-162.8	115.9	92.7	-74	0	0	0	0	109.6
434	A	21.6	Very low	26.2	Very low	105 Å²	105	130.2 Å²	130.2	87%	0.868	84%	0.843	S	S	*	*			trans	-77.3	136.5	164.3	0	0	0	0	0	109.7
435	A	29.4	Very low	26.7	Very low	100 Å²	100	128.8 Å²	128.8	83%	0.826	84%	0.841	S	S	*	*			trans	-132.9	94.7	159.2	0	0	0	0	0	107.7
436	E	25.6	Very low	26.7	Very low	192 Å²	192	128.7 Å²	128.7	90%	0.897	83%	0.831	S	S	*	*			trans	44.9	115	145.1	-59.9	-176.6	161.7	0	0	120.9
437	D	22	Very low	27	Very low	170 Å²	170	130.7 Å²	130.7	91%	0.909	83%	0.83	S	S	*	*			trans	-55	128.2	154.3	-80.8	-48.2	0	0	0	112.1
438	A	31.5	Very low	27.4	Very low	98 Å²	98	128.8 Å²	128.8	81%	0.81	83%	0.825	S	S	*	*			trans	-147.3	103.8	155.5	0	0	0	0	0	111
439	G	26.9	Very low	27.5	Very low	76 Å²	76	125.1 Å²	125.1	78%	0.784	82%	0.816	S	S	*	*			trans	64.9	133.3	131.3	0	0	0	0	0	121
440	P	33.1	Very low	28.1	Very low	116 Å²	116	125.4 Å²	125.4	75%	0.753	81%	0.809	S	S	*	*			trans	-91.5	154.4	-179.1	38.2	-33.6	0	0	0	113.5
441	F	27.2	Very low	28.5	Very low	206 Å²	206	124.8 Å²	124.8	90%	0.904	79%	0.792	S	S	*	*			trans	70.5	101	169.5	-70.3	-84.6	0	0	0	118.7
442	S	29.6	Very low	29.3	Very low	127 Å²	127	126 Å²	126	89%	0.888	79%	0.788	S	S	*	*			trans	177.6	117.2	133.5	165.2	0	0	0	0	111.4
443	G	29.5	Very low	30	Very low	69 Å²	69	127.3 Å²	127.3	71%	0.711	79%	0.791	S	S	*	*			trans	84.8	93.8	156.3	0	0	0	0	0	116.1	T445	G443-T445 PolarHBondContact O-N 3.09Å
444	A	32.5	Very low	30.6	Very low	109 Å²	109	130.8 Å²	130.8	90%	0.901	79%	0.787	S	S	*	*			trans	-62.8	98.7	162	0	0	0	0	0	109.1
445	T	30.7	Very low	31.9	Very low	127 Å²	127	130.4 Å²	130.4	78%	0.779	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-64.8	130.5	162.4	17.4	0	0	0	0	108	G443	G443-T445 PolarHBondContact O-N 3.09Å
446	P	28.1	Very low	32.7	Very low	105 Å²	105	129 Å²	129	68%	0.682	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-59.5	148.4	174.7	24.3	-30.7	0	0	0	109.4	T448	P446-T448 PolarHBondContact O-N 2.91Å; P446-T448 VanDerWaalsContact O-N 3.17Å
447	P	31.6	Very low	33.2	Very low	122 Å²	122	126.5 Å²	126.5	79%	0.792	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-54.4	125.3	-173.6	20.8	-31.6	0	0	0	110.3	V449	P447-V449 PolarHBondContact O-N 3Å
448	T	29	Very low	34.2	Very low	130 Å²	130	123.6 Å²	123.6	80%	0.798	73%	0.729	S	S	*	*			trans	-56.8	111.1	177	-45	0	0	0	0	108.7	P446 P450	P446-T448 PolarHBondContact O-N 2.91Å; P446-T448 VanDerWaalsContact O-N 3.17Å; T448-P450 WeakPolarHBondContact O-CD 3.33Å; T448-P450 VanDerWaalsContact O-N 3.17Å
449	V	30.6	Very low	34.6	Very low	113 Å²	113	129.9 Å²	129.9	69%	0.685	73%	0.732	S	S	*	*			trans	-60.4	116.6	171	178.9	0	0	0	0	106.9	P447 D451	P447-V449 PolarHBondContact O-N 3Å; V449-D451 PolarHBondContact O-N 3.13Å
450	P	34.3	Very low	35.3	Very low	103 Å²	103	130.3 Å²	130.3	67%	0.669	72%	0.721	S	S	*	*			trans	-58.9	137.1	177.6	-23.2	34.5	0	0	0	110.1	T448 R452	T448-P450 WeakPolarHBondContact O-CD 3.33Å; T448-P450 VanDerWaalsContact O-N 3.17Å; P450-R452 PolarHBondContact O-N 3.37Å; P450-R452 VanDerWaalsContact O-N 3.1Å
451	D	36.6	Very low	35.8	Very low	88 Å²	88	126.5 Å²	126.5	47%	0.471	70%	0.703	S	S	.	*			trans	-55.5	113.6	176.3	-177.5	-6	0	0	0	109.8	V449 E453 R454	V449-D451 PolarHBondContact O-N 3.13Å; D451-E453 PolarHBondContact O-N 3.15Å; D451-E453 VanDerWaalsContact O-N 3.17Å; D451-E453 PolarHBondContact OD1-N 2.8Å; D451-R454 HydrophobicContact CB-CB 4.25Å; D451-R454 HydrophobicContact CB-CG 4.13Å; D451-R454 PolarHBondContact O-N 2.93Å; D451-R454 WeakPolarHBondContact OD2-CD 3.07Å; D451-R454 VanDerWaalsContact OD2-CG 3.3Å; D451-R454 WeakPolarHBondContact OD2-CG 3.17Å; D451-R454 IonicContact OD2-NE 3.02Å; D451-R454 PolarHBondContact OD2-NE 3.25Å
452	R	38.3	Very low	36.8	Very low	212 Å²	212	126.4 Å²	126.4	80%	0.8	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66	-15.8	-173.1	-70.5	-180	170.8	172.1	-3.3	113.2	P450	P450-R452 PolarHBondContact O-N 3.37Å; P450-R452 VanDerWaalsContact O-N 3.1Å
453	E	35.5	Very low	37.9	Very low	181 Å²	181	129 Å²	129	85%	0.846	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.4	-12.3	179.8	-62.6	-169.4	171.3	0	0	113.5	D451 K455	D451-E453 PolarHBondContact O-N 3.15Å; D451-E453 VanDerWaalsContact O-N 3.17Å; D451-E453 PolarHBondContact OD1-N 2.8Å; E453-K455 PolarHBondContact O-N 3.15Å
454	R	40.1	Very low	38.9	Very low	198 Å²	198	126.9 Å²	126.9	75%	0.747	67%	0.672	S	S	*	*			trans	-85.7	104.4	-175	-80.9	-179.7	-174.1	-113.5	-1.8	112.4	D451	D451-R454 HydrophobicContact CB-CB 4.25Å; D451-R454 HydrophobicContact CB-CG 4.13Å; D451-R454 PolarHBondContact O-N 2.93Å; D451-R454 WeakPolarHBondContact OD2-CD 3.07Å; D451-R454 VanDerWaalsContact OD2-CG 3.3Å; D451-R454 WeakPolarHBondContact OD2-CG 3.17Å; D451-R454 IonicContact OD2-NE 3.02Å; D451-R454 PolarHBondContact OD2-NE 3.25Å
455	K	48.6	Very low	40.4	Very low	96 Å²	96	124.6 Å²	124.6	42%	0.417	65%	0.647	S	S	.	*	P	Polyproline II helix	trans	-64.6	130	162.9	-66.1	-168.7	174.8	-157.6	0	110.5	E453 D800 D801 E802	E453-K455 PolarHBondContact O-N 3.15Å; K455-D800 IonicContact NZ-OD1 3.9Å; K455-D800 PolarHBondContact NZ-OD1 3.26Å; K455-D800 VanDerWaalsContact NZ-OD1 3.08Å; K455-D801 IonicContact NZ-OD2 3.7Å; K455-D801 PolarHBondContact NZ-OD2 3.17Å; K455-E802 IonicContact NZ-OE2 3.08Å
456	P	44.7	Very low	41.8	Very low	72 Å²	72	120.6 Å²	120.6	47%	0.468	63%	0.631	S	S	.	*	P	Polyproline II helix	trans	-66.9	133.2	168.9	-20.5	33.4	0	0	0	111.8	E776	P456-E776 WeakPolarHBondContact CG-OE2 3.5Å
457	T	37.6	Very low	43.2	Very low	138 Å²	138	119 Å²	119	85%	0.847	61%	0.614	S	S	*	*	P	Polyproline II helix	trans	-94.9	118.7	173.1	33.3	0	0	0	0	111.6
458	I	42.8	Very low	44.4	Very low	110 Å²	110	114.5 Å²	114.5	56%	0.564	58%	0.584	S	S	*	*	P	Polyproline II helix	trans	-97.6	130.2	166.8	-58.7	179.1	0	0	0	108.8
459	R	38.8	Very low	46.2	Very low	229 Å²	229	114.2 Å²	114.2	86%	0.864	57%	0.573	S	S	*	*	P	Polyproline II helix	trans	-95.8	132.3	170.5	-64.6	-174.8	-178.3	-148.1	0.8	109.3
460	P	42.6	Very low	47.6	Very low	86 Å²	86	112.4 Å²	112.4	56%	0.558	57%	0.565	S	S	*	*	P	Polyproline II helix	trans	-64.6	146.2	177	24.1	-30.5	0	0	0	111.7	D464 I468	P460-D464 HydrophobicContact CB-CB 4.1Å; P460-I468 HydrophobicContact CB-CD1 4.39Å
461	G	43.8	Very low	48.6	Very low	36 Å²	36	108 Å²	108	37%	0.371	54%	0.537	S	S	.	.	P	Polyproline II helix	trans	-73	163.6	176.9	0	0	0	0	0	112.3	E463 D464	G461-E463 VanDerWaalsContact C-N 3.27Å; G461-E463 PolarHBondContact O-N 3.23Å; G461-D464 WeakPolarHBondContact CA-OD2 3.33Å; G461-D464 PolarHBondContact N-OD2 2.88Å; G461-D464 WeakPolarHBondContact O-CB 3.29Å; G461-D464 PolarHBondContact O-N 2.79Å; G461-D464 VanDerWaalsContact O-N 3.11Å
462	K	47.8	Very low	49.7	Very low	204 Å²	204	107 Å²	107	89%	0.887	53%	0.531	S	S	*	.	H	α-helix	trans	-59.3	-34.4	-177.1	-73.6	-176.6	178.2	178	0	113.5
463	E	51.8	Low	50.6	Low	182 Å²	182	99.4 Å²	99.4	85%	0.85	51%	0.511	S	S	*	.	H	α-helix	trans	-71.7	-31.5	178.1	-65.3	-178.1	172.4	0	0	112.3	G461 V465	G461-E463 VanDerWaalsContact C-N 3.27Å; G461-E463 PolarHBondContact O-N 3.23Å; E463-V465 VanDerWaalsContact C-N 3.29Å; E463-V465 PolarHBondContact O-N 3.21Å
464	D	52.1	Low	51.5	Low	23 Å²	23	95.6 Å²	95.6	12%	0.123	49%	0.491	C	S	.	.	H	α-helix	trans	-66.8	-32.2	179.2	-57.5	-41.2	0	0	0	111.9	P460 G461 G466 Q467 I468 S808 S810	P460-D464 HydrophobicContact CB-CB 4.1Å; G461-D464 WeakPolarHBondContact CA-OD2 3.33Å; G461-D464 PolarHBondContact N-OD2 2.88Å; G461-D464 WeakPolarHBondContact O-CB 3.29Å; G461-D464 PolarHBondContact O-N 2.79Å; G461-D464 VanDerWaalsContact O-N 3.11Å; D464-G466 VanDerWaalsContact C-N 3.34Å; D464-G466 PolarHBondContact O-N 3.26Å; D464-Q467 PolarHBondContact O-N 2.59Å; D464-I468 HydrophobicContact CB-CD1 4.07Å; D464-I468 WeakPolarHBondContact O-CB 3.14Å; D464-I468 WeakPolarHBondContact O-CD1 3.46Å; D464-I468 WeakPolarHBondContact O-CG1 3.32Å; D464-I468 PolarHBondContact O-N 3.21Å; D464-S808 WeakPolarHBondContact OD1-CB 3.36Å; D464-S808 PolarHBondContact OD1-OG 3.33Å; D464-S810 PolarHBondContact OD1-OG 2.84Å
465	V	62.3	Low	52.3	Low	62 Å²	62	87.9 Å²	87.9	38%	0.376	47%	0.465	S	S	.	.	H	α-helix	trans	-59.7	-43.7	-176.8	-177	0	0	0	0	111.3	E463 I468 E469	E463-V465 VanDerWaalsContact C-N 3.29Å; E463-V465 PolarHBondContact O-N 3.21Å; V465-I468 PolarHBondContact O-N 3.08Å; V465-E469 HydrophobicContact CG1-CG 4.37Å; V465-E469 WeakPolarHBondContact O-CB 3.06Å; V465-E469 VanDerWaalsContact O-CG 3.31Å; V465-E469 WeakPolarHBondContact O-CG 3.37Å; V465-E469 PolarHBondContact O-N 3.28Å
466	G	61	Low	52.5	Low	43 Å²	43	91.3 Å²	91.3	44%	0.443	48%	0.48	S	S	.	.	H	α-helix	trans	-66	-40.5	-179.3	0	0	0	0	0	113.4	D464 E469 S470	D464-G466 VanDerWaalsContact C-N 3.34Å; D464-G466 PolarHBondContact O-N 3.26Å; G466-E469 PolarHBondContact O-N 3.43Å; G466-S470 PolarHBondContact O-N 2.82Å
467	Q	57	Low	52.7	Low	70 Å²	70	93.4 Å²	93.4	33%	0.327	49%	0.487	S	S	.	.	H	α-helix	trans	-70	-39.9	176.4	-165.2	176.5	16	0	0	111.2	D464 S470 C471 S808	D464-Q467 PolarHBondContact O-N 2.59Å; Q467-S470 WeakPolarHBondContact O-CB 3.39Å; Q467-S470 PolarHBondContact O-N 3.37Å; Q467-C471 PolarHBondContact O-N 3.46Å; Q467-C471 PolarHBondContact O-SG 2.9Å; Q467-S808 VanDerWaalsContact OE1-CB 3.23Å
468	I	56.7	Low	53.1	Low	28 Å²	28	89.6 Å²	89.6	14%	0.144	47%	0.466	C	S	.	.	H	α-helix	trans	-62.2	-43.5	174.9	-68.6	165	0	0	0	110.6	P460 D464 V465 C471 L472 I806	P460-I468 HydrophobicContact CB-CD1 4.39Å; D464-I468 HydrophobicContact CB-CD1 4.07Å; D464-I468 WeakPolarHBondContact O-CB 3.14Å; D464-I468 WeakPolarHBondContact O-CD1 3.46Å; D464-I468 WeakPolarHBondContact O-CG1 3.32Å; D464-I468 PolarHBondContact O-N 3.21Å; V465-I468 PolarHBondContact O-N 3.08Å; I468-C471 PolarHBondContact O-N 2.87Å; I468-L472 HydrophobicContact CG2-CD1 3.77Å; I468-L472 HydrophobicContact CG2-CG 4.25Å; I468-L472 VanDerWaalsContact O-CB 3.32Å; I468-L472 WeakPolarHBondContact O-CB 3.38Å; I468-L472 VanDerWaalsContact O-CG 3.23Å; I468-L472 WeakPolarHBondContact O-CG 3.21Å; I468-L472 PolarHBondContact O-N 2.78Å; I468-I806 HydrophobicContact CG1-CG2 4.45Å; I468-I806 HydrophobicContact CG2-CB 4.46Å; I468-I806 HydrophobicContact CG2-CG2 4.42Å
469	E	67.9	Low	52.9	Low	125 Å²	125	94.3 Å²	94.3	58%	0.584	48%	0.483	S	S	*	.	H	α-helix	trans	-61.9	-42.4	176	-78.3	179.1	179.7	0	0	112.3	V465 G466 L472 S473	V465-E469 HydrophobicContact CG1-CG 4.37Å; V465-E469 WeakPolarHBondContact O-CB 3.06Å; V465-E469 VanDerWaalsContact O-CG 3.31Å; V465-E469 WeakPolarHBondContact O-CG 3.37Å; V465-E469 PolarHBondContact O-N 3.28Å; G466-E469 PolarHBondContact O-N 3.43Å; E469-L472 PolarHBondContact O-N 2.65Å; E469-S473 WeakPolarHBondContact O-CB 3.06Å; E469-S473 PolarHBondContact O-N 2.86Å
470	S	60.5	Low	53.1	Low	74 Å²	74	88.2 Å²	88.2	52%	0.517	48%	0.475	S	S	.	.	H	α-helix	trans	-60.1	-48.5	173.7	-176.7	0	0	0	0	111.6	G466 Q467 L472 S473 F474	G466-S470 PolarHBondContact O-N 2.82Å; Q467-S470 WeakPolarHBondContact O-CB 3.39Å; Q467-S470 PolarHBondContact O-N 3.37Å; S470-L472 PolarHBondContact O-N 3.1Å; S470-S473 WeakPolarHBondContact O-CB 3.34Å; S470-S473 PolarHBondContact O-N 3.08Å; S470-S473 VanDerWaalsContact O-N 3.14Å; S470-S473 PolarHBondContact O-OG 3.18Å; S470-F474 PolarHBondContact O-N 2.65Å
471	C	54.4	Low	52.7	Low	10 Å²	10	89.3 Å²	89.3	7%	0.068	48%	0.48	C	S	.	.	H	α-helix	trans	-62.7	-42.2	177.2	-65.9	0	0	0	0	112.3	Q467 I468 S473 F474 L475 I795 I806	Q467-C471 PolarHBondContact O-N 3.46Å; Q467-C471 PolarHBondContact O-SG 2.9Å; I468-C471 PolarHBondContact O-N 2.87Å; C471-S473 VanDerWaalsContact C-N 3.3Å; C471-S473 PolarHBondContact O-N 3.22Å; C471-F474 PolarHBondContact O-N 3.03Å; C471-L475 WeakPolarHBondContact O-CG 3.02Å; C471-L475 PolarHBondContact O-N 2.83Å; C471-I795 HydrophobicContact CB-CD1 4.47Å; C471-I795 HydrophobicContact CB-CG1 4.09Å; C471-I806 HydrophobicContact CB-CG2 4.06Å
472	L	59.2	Low	52.3	Low	68 Å²	68	92.2 Å²	92.2	36%	0.356	51%	0.51	S	S	.	.	H	α-helix	trans	-62.1	-38	174.5	-76.7	169.6	0	0	0	111.5	I468 E469 S470 K476 I806	I468-L472 HydrophobicContact CG2-CD1 3.77Å; I468-L472 HydrophobicContact CG2-CG 4.25Å; I468-L472 VanDerWaalsContact O-CB 3.32Å; I468-L472 WeakPolarHBondContact O-CB 3.38Å; I468-L472 VanDerWaalsContact O-CG 3.23Å; I468-L472 WeakPolarHBondContact O-CG 3.21Å; I468-L472 PolarHBondContact O-N 2.78Å; E469-L472 PolarHBondContact O-N 2.65Å; S470-L472 PolarHBondContact O-N 3.1Å; L472-K476 WeakPolarHBondContact O-CB 3.29Å; L472-K476 WeakPolarHBondContact O-CG 3.46Å; L472-K476 PolarHBondContact O-N 3.38Å; L472-I806 HydrophobicContact CD2-CD1 3.48Å; L472-I806 VanDerWaalsContact CD2-CD1 3.48Å; L472-I806 HydrophobicContact CG-CD1 3.92Å
473	S	57.3	Low	51.8	Low	53 Å²	53	91.4 Å²	91.4	37%	0.371	50%	0.501	S	S	.	.	H	α-helix	trans	-66.7	-39.4	175.8	83.1	0	0	0	0	112	E469 S470 C471 K476 N477	E469-S473 WeakPolarHBondContact O-CB 3.06Å; E469-S473 PolarHBondContact O-N 2.86Å; S470-S473 WeakPolarHBondContact O-CB 3.34Å; S470-S473 PolarHBondContact O-N 3.08Å; S470-S473 VanDerWaalsContact O-N 3.14Å; S470-S473 PolarHBondContact O-OG 3.18Å; C471-S473 VanDerWaalsContact C-N 3.3Å; C471-S473 PolarHBondContact O-N 3.22Å; S473-K476 WeakPolarHBondContact O-CB 3.48Å; S473-K476 PolarHBondContact O-N 3.43Å; S473-N477 WeakPolarHBondContact O-CB 3.32Å; S473-N477 PolarHBondContact O-N 3.44Å
474	F	55.5	Low	51.2	Low	100 Å²	100	93.6 Å²	93.6	44%	0.439	50%	0.502	S	S	.	.	H	α-helix	trans	-63.8	-45.2	175.1	-177.5	-92.2	0	0	0	111.9	S470 C471 K476 N477 S478 D792 I795	S470-F474 PolarHBondContact O-N 2.65Å; C471-F474 PolarHBondContact O-N 3.03Å; F474-K476 VanDerWaalsContact C-N 3.27Å; F474-K476 PolarHBondContact O-N 3.26Å; F474-N477 PolarHBondContact O-N 3.46Å; F474-N477 VanDerWaalsContact O-N 3.11Å; F474-S478 PolarHBondContact O-N 3.28Å; F474-D792 HydrophobicContact CE1-CB 3.96Å; F474-D792 HydrophobicContact CZ-CB 4.35Å; F474-I795 HydrophobicContact CD1-CD1 3.71Å; F474-I795 HydrophobicContact CE1-CD1 4.3Å
475	L	55.4	Low	51.2	Low	36 Å²	36	93.8 Å²	93.8	19%	0.188	51%	0.507	C	S	.	.	H	α-helix	trans	-63.8	-31.2	175.3	-71	173.4	0	0	0	112.9	C471 Y790 I795 I806	C471-L475 WeakPolarHBondContact O-CG 3.02Å; C471-L475 PolarHBondContact O-N 2.83Å; L475-Y790 HydrophobicContact CD2-CD1 4.15Å; L475-Y790 HydrophobicContact CD2-CE1 3.75Å; L475-I795 HydrophobicContact CD2-CD1 4.18Å; L475-I795 HydrophobicContact CG-CD1 4.12Å; L475-I806 HydrophobicContact CD1-CD1 3.35Å; L475-I806 HydrophobicContact CD1-CG1 4.42Å
476	K	53.6	Low	51.3	Low	168 Å²	168	92.3 Å²	92.3	73%	0.73	50%	0.501	S	S	*	.	H	α-helix	trans	-72.3	-33.3	172.7	-73.6	168.8	-176.5	177.8	0	112.4	L472 S473 F474	L472-K476 WeakPolarHBondContact O-CB 3.29Å; L472-K476 WeakPolarHBondContact O-CG 3.46Å; L472-K476 PolarHBondContact O-N 3.38Å; S473-K476 WeakPolarHBondContact O-CB 3.48Å; S473-K476 PolarHBondContact O-N 3.43Å; F474-K476 VanDerWaalsContact C-N 3.27Å; F474-K476 PolarHBondContact O-N 3.26Å
477	N	48.6	Very low	52.5	Low	116 Å²	116	92 Å²	92	62%	0.62	49%	0.489	S	S	*	.	H	α-helix	trans	-86.7	-5.8	-175.5	-76.5	-15.2	0	0	0	114.7	S473 F474 K479	S473-N477 WeakPolarHBondContact O-CB 3.32Å; S473-N477 PolarHBondContact O-N 3.44Å; F474-N477 PolarHBondContact O-N 3.46Å; F474-N477 VanDerWaalsContact O-N 3.11Å; N477-K479 VanDerWaalsContact C-N 3.33Å; N477-K479 WeakPolarHBondContact O-CG 3.43Å; N477-K479 PolarHBondContact O-N 2.82Å
478	S	45.9	Very low	54.2	Low	58 Å²	58	89.3 Å²	89.3	41%	0.406	48%	0.477	S	S	.	.			trans	-65.4	92.7	169.1	-74.3	0	0	0	0	109.8	F474 S480	F474-S478 PolarHBondContact O-N 3.28Å; S478-S480 PolarHBondContact O-N 2.75Å
479	K	39	Very low	56	Low	210 Å²	210	88 Å²	88	91%	0.913	47%	0.47	S	S	*	.			trans	-66	6.4	-173.6	-71.5	-175.4	179.7	177.5	0	115.3	N477 T481	N477-K479 VanDerWaalsContact C-N 3.33Å; N477-K479 WeakPolarHBondContact O-CG 3.43Å; N477-K479 PolarHBondContact O-N 2.82Å; K479-T481 PolarHBondContact O-N 2.79Å
480	S	42.1	Very low	57.3	Low	100 Å²	100	82 Å²	82	70%	0.699	44%	0.443	S	S	*	.	S	Bend	trans	-92.5	94.1	171.6	55.8	0	0	0	0	110.1	S478	S478-S480 PolarHBondContact O-N 2.75Å
481	T	35.6	Very low	59	Low	110 Å²	110	80.7 Å²	80.7	68%	0.675	43%	0.431	S	S	*	.			trans	72.7	116.5	179.7	76.1	0	0	0	0	114.4	K479 R483	K479-T481 PolarHBondContact O-N 2.79Å; T481-R483 PolarHBondContact O-N 3.33Å
482	G	34.5	Very low	60.8	Low	96 Å²	96	82.3 Å²	82.3	99%	0.99	44%	0.439	S	S	*	.	S	Bend	trans	-66.4	29.9	176	0	0	0	0	0	115.3
483	R	36.8	Very low	62.3	Low	187 Å²	187	81.9 Å²	81.9	71%	0.706	44%	0.437	S	S	*	.	S	Bend	trans	-87.7	115.6	166.2	-82.7	-178.5	174.4	166.7	0.2	107.1	T481 A485	T481-R483 PolarHBondContact O-N 3.33Å; R483-A485 PolarHBondContact O-N 2.92Å
484	R	40.1	Very low	63.6	Low	229 Å²	229	81 Å²	81	86%	0.864	44%	0.437	S	S	*	.			trans	-35.6	115.4	158.8	-178.9	177.1	169.2	141.4	-2.2	106.4	A486	R484-A486 VanDerWaalsContact C-N 3.26Å; R484-A486 PolarHBondContact O-N 2.78Å
485	A	51.4	Low	65.2	Low	27 Å²	27	79.6 Å²	79.6	22%	0.223	43%	0.433	C	S	.	.			trans	-58.9	97.2	-177	0	0	0	0	0	107.1	R483 L487 Y790	R483-A485 PolarHBondContact O-N 2.92Å; A485-L487 PolarHBondContact O-N 3.23Å; A485-Y790 HydrophobicContact CB-CE1 4.49Å; A485-Y790 WeakPolarHBondContact CB-OH 3.34Å
486	A	65.1	Low	67	Low	31 Å²	31	78 Å²	78	26%	0.256	43%	0.425	S	S	.	.			trans	-74.3	101.7	-165.2	0	0	0	0	0	107.5	R484 T488 K552	R484-A486 VanDerWaalsContact C-N 3.26Å; R484-A486 PolarHBondContact O-N 2.78Å; A486-T488 PolarHBondContact O-N 3Å; A486-T488 PolarHBondContact O-OG1 3.27Å; A486-K552 HydrophobicContact CB-CB 4.03Å
487	L	85.5	Confident	68.9	Low	36 Å²	36	70.4 Å²	70.4	19%	0.188	39%	0.393	C	S	.	.			trans	-60.9	124.2	168.7	-60.8	175.3	0	0	0	107	A485 Y790 I797 V804 I806	A485-L487 PolarHBondContact O-N 3.23Å; L487-Y790 HydrophobicContact CD2-CD1 4.03Å; L487-Y790 HydrophobicContact CD2-CD2 4.1Å; L487-Y790 HydrophobicContact CD2-CE1 3.9Å; L487-Y790 HydrophobicContact CD2-CE2 3.99Å; L487-Y790 HydrophobicContact CD2-CG 4.12Å; L487-I797 HydrophobicContact CD1-CG2 3.94Å; L487-I797 HydrophobicContact CD2-CD1 4.14Å; L487-I797 HydrophobicContact CD2-CG2 4.03Å; L487-V804 HydrophobicContact CB-CB 3.76Å; L487-V804 HydrophobicContact CB-CG1 3.64Å; L487-V804 HydrophobicContact CD1-CG1 4.02Å; L487-V804 HydrophobicContact CG-CG1 4.27Å; L487-I806 HydrophobicContact CD1-CG1 4.15Å
488	T	92.3	Very high	71.2	Confident	14 Å²	14	65 Å²	65	9%	0.086	36%	0.364	C	S	.	.			trans	-113.1	117.7	-173	-53.4	0	0	0	0	109.2	A486 Q504 L549 S554 S555 V557	A486-T488 PolarHBondContact O-N 3Å; A486-T488 PolarHBondContact O-OG1 3.27Å; T488-Q504 PolarHBondContact O-NE2 2.94Å; T488-L549 HydrophobicContact CG2-CD2 3.77Å; T488-S554 WeakPolarHBondContact CG2-O 3.3Å; T488-S554 PolarHBondContact OG1-O 3.03Å; T488-S555 CarbonylContact C-O 3.58Å; T488-S555 WeakPolarHBondContact CA-O 3.42Å; T488-V557 HydrophobicContact CG2-CG2 3.73Å
489	G	94.6	Very high	73.5	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	178.7	174.3	0	0	0	0	0	113	S555 A556 V557 D801 V804	G489-S555 PolarHBondContact N-O 3.12Å; G489-A556 CarbonylContact O-C 3.59Å; G489-A556 VanDerWaalsContact O-CA 3.23Å; G489-A556 WeakPolarHBondContact O-CA 3.03Å; G489-V557 PolarHBondContact O-N 2.89Å; G489-D801 CarbonylContact C-O 3.42Å; G489-D801 WeakPolarHBondContact CA-O 3.46Å; G489-V804 VanDerWaalsContact CA-CG2 3.45Å
490	L	96.3	Very high	76.3	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	131.7	172.5	-70.5	171.7	0	0	0	109.8	N492 N500 V503 Q504 L545 L549 V557 D801 E802	L490-N492 PolarHBondContact O-N 2.94Å; L490-N500 HydrophobicContact CB-CB 4.08Å; L490-N500 WeakPolarHBondContact CB-OD1 3.39Å; L490-N500 HydrophobicContact CD1-CB 4.18Å; L490-N500 PolarHBondContact O-ND2 3.49Å; L490-V503 HydrophobicContact CD1-CB 3.82Å; L490-V503 HydrophobicContact CD1-CG1 3.67Å; L490-Q504 HydrophobicContact CD1-CG 4.07Å; L490-L545 HydrophobicContact CD2-CD1 3.91Å; L490-L549 HydrophobicContact CD2-CD1 4.44Å; L490-L549 HydrophobicContact CD2-CD2 3.95Å; L490-L549 HydrophobicContact CD2-CG 4.49Å; L490-L549 HydrophobicContact CG-CD2 4.44Å; L490-V557 CarbonylContact C-O 3.34Å; L490-V557 VanDerWaalsContact CA-O 3.29Å; L490-V557 WeakPolarHBondContact CA-O 3.26Å; L490-V557 HydrophobicContact CD2-CB 4.32Å; L490-D801 PolarHBondContact N-O 3.36Å; L490-D801 CarbonylContact O-C 3.59Å; L490-D801 WeakPolarHBondContact O-CA 3.41Å; L490-D801 WeakPolarHBondContact O-CB 3.28Å; L490-E802 PolarHBondContact O-N 2.74Å; L490-E802 VanDerWaalsContact O-N 3.13Å
491	V	95.6	Very high	79	Confident	45 Å²	45	47.8 Å²	47.8	27%	0.273	27%	0.27	S	S	.	.			trans	-67.2	131.5	178.2	-177.9	0	0	0	0	109.6	L493 N500 A556 V557 A558 P559 E802	V491-L493 HydrophobicContact CG1-CD2 4.39Å; V491-L493 PolarHBondContact O-N 3.47Å; V491-N500 PolarHBondContact O-ND2 3.33Å; V491-A556 HydrophobicContact CG2-CB 3.98Å; V491-V557 PolarHBondContact N-O 3.38Å; V491-A558 HydrophobicContact CB-CB 3.97Å; V491-A558 HydrophobicContact CG2-CB 4.06Å; V491-P559 WeakPolarHBondContact O-CD 3.35Å; V491-E802 VanDerWaalsContact CA-OE1 3.25Å; V491-E802 WeakPolarHBondContact CA-OE1 3.45Å; V491-E802 HydrophobicContact CB-CG 4.42Å; V491-E802 HydrophobicContact CG2-CG 4.15Å
492	N	92.8	Very high	82	Confident	44 Å²	44	42.6 Å²	42.6	24%	0.235	24%	0.238	C	C	.	.			trans	-75.2	115.8	171.6	-164.7	-33.2	0	0	0	108.8	L490 G494 N495 T496 D801 E802	L490-N492 PolarHBondContact O-N 2.94Å; N492-G494 PolarHBondContact O-N 2.92Å; N492-G494 PolarHBondContact OD1-N 2.86Å; N492-N495 PolarHBondContact OD1-N 2.86Å; N492-T496 PolarHBondContact OD1-N 3.38Å; N492-T496 VanDerWaalsContact OD1-N 3.11Å; N492-T496 PolarHBondContact OD1-OG1 3.1Å; N492-D801 HydrophobicContact CB-CB 4.11Å; N492-D801 PolarHBondContact ND2-OD2 3.12Å; N492-E802 PolarHBondContact N-OE1 3.21Å
493	L	90.2	Very high	85	Confident	60 Å²	60	38.2 Å²	38.2	31%	0.314	19%	0.192	S	C	.	.			trans	-86.1	14.4	-178.3	-54.4	177.4	0	0	0	112.4	V491 T496 A558 P559 I560 K563	V491-L493 HydrophobicContact CG1-CD2 4.39Å; V491-L493 PolarHBondContact O-N 3.47Å; L493-T496 HydrophobicContact CB-CG2 3.83Å; L493-T496 PolarHBondContact N-OG1 2.75Å; L493-A558 HydrophobicContact CD2-CB 4.19Å; L493-P559 HydrophobicContact CD1-CG 4.12Å; L493-P559 HydrophobicContact CG-CG 4.48Å; L493-I560 HydrophobicContact CD1-CG1 4.03Å; L493-I560 HydrophobicContact CD2-CG1 3.94Å; L493-K563 HydrophobicContact CD1-CB 4.09Å; L493-K563 HydrophobicContact CD1-CG 4.47Å
494	G	85.4	Confident	87.9	Confident	35 Å²	35	29.5 Å²	29.5	36%	0.361	16%	0.159	S	C	.	.	S	Bend	trans	97.3	110.9	-171.6	0	0	0	0	0	110.9	N492 T496	N492-G494 PolarHBondContact O-N 2.92Å; N492-G494 PolarHBondContact OD1-N 2.86Å; G494-T496 VanDerWaalsContact O-CG2 3.32Å; G494-T496 WeakPolarHBondContact O-CG2 3.41Å; G494-T496 PolarHBondContact O-N 3.25Å
495	N	88.8	Confident	90.6	Very high	70 Å²	70	18.6 Å²	18.6	37%	0.374	12%	0.118	S	C	.	.	S	Bend	trans	53.9	21.5	-176.8	-60.8	-43.9	0	0	0	115	N492 Y498 D576 Q578	N492-N495 PolarHBondContact OD1-N 2.86Å; N495-Y498 WeakPolarHBondContact O-CD1 3.43Å; N495-Y498 WeakPolarHBondContact O-CE1 3.44Å; N495-D576 PolarHBondContact ND2-O 2.68Å; N495-Q578 HydrophobicContact CB-CG 4.03Å
496	T	92.8	Very high	92.8	Very high	1 Å²	1	17.6 Å²	17.6	1%	0.006	11%	0.109	C	C	.	.			trans	-97.4	14.3	-177.1	67.4	0	0	0	0	114.4	N492 L493 G494 Y498 L499 N500 K563	N492-T496 PolarHBondContact OD1-N 3.38Å; N492-T496 VanDerWaalsContact OD1-N 3.11Å; N492-T496 PolarHBondContact OD1-OG1 3.1Å; L493-T496 HydrophobicContact CB-CG2 3.83Å; L493-T496 PolarHBondContact N-OG1 2.75Å; G494-T496 VanDerWaalsContact O-CG2 3.32Å; G494-T496 WeakPolarHBondContact O-CG2 3.41Å; G494-T496 PolarHBondContact O-N 3.25Å; T496-Y498 VanDerWaalsContact C-N 3.27Å; T496-Y498 PolarHBondContact O-N 3.01Å; T496-L499 WeakPolarHBondContact O-CB 3.38Å; T496-L499 PolarHBondContact O-N 3.47Å; T496-N500 PolarHBondContact O-N 3.06Å; T496-K563 HydrophobicContact CG2-CD 4.1Å
497	C	94.6	Very high	94.2	Very high	10 Å²	10	17.2 Å²	17.2	7%	0.068	10%	0.101	C	C	.	.	H	α-helix	trans	-63.4	-31.6	-179.6	58.7	0	0	0	0	113	L499 N500 S501 H783 Y784	C497-L499 VanDerWaalsContact C-N 3.27Å; C497-L499 PolarHBondContact O-N 2.81Å; C497-N500 PolarHBondContact O-N 3.28Å; C497-S501 WeakPolarHBondContact O-CB 3.48Å; C497-S501 PolarHBondContact O-N 2.91Å; C497-S501 PolarHBondContact O-OG 2.76Å; C497-H783 VanDerWaalsContact CB-CE1 3.48Å; C497-H783 WeakPolarHBondContact CB-CE1 3.41Å; C497-H783 WeakPolarHBondContact CB-ND1 3.29Å; C497-H783 PolarHBondContact SG-ND1 3.33Å; C497-H783 VanDerWaalsContact SG-ND1 3.44Å; C497-Y784 WeakPolarHBondContact CB-O 3.49Å; C497-Y784 PolarHBondContact SG-N 2.83Å
498	Y	95.1	Very high	94.6	Very high	1 Å²	1	16.5 Å²	16.5	0%	0.004	10%	0.097	C	C	.	.	H	α-helix	trans	-58.8	-39.2	172.2	74.4	-91.4	0	0	0	111.7	N495 T496 S501 V502 K563 F573 Q579 F584	N495-Y498 WeakPolarHBondContact O-CD1 3.43Å; N495-Y498 WeakPolarHBondContact O-CE1 3.44Å; T496-Y498 VanDerWaalsContact C-N 3.27Å; T496-Y498 PolarHBondContact O-N 3.01Å; Y498-S501 PolarHBondContact O-OG 3.43Å; Y498-S501 VanDerWaalsContact O-OG 3.1Å; Y498-V502 WeakPolarHBondContact O-CG2 3.14Å; Y498-V502 PolarHBondContact O-N 3.33Å; Y498-K563 PolarHBondContact OH-NZ 3.09Å; Y498-K563 VanDerWaalsContact OH-NZ 3.16Å; Y498-F573 HydrophobicContact CE2-CD1 4.18Å; Y498-F573 HydrophobicContact CE2-CE1 4.11Å; Y498-Q579 VanDerWaalsContact CB-O 3.29Å; Y498-Q579 WeakPolarHBondContact CB-O 3.22Å; Y498-Q579 HydrophobicContact CD1-CB 3.85Å; Y498-Q579 HydrophobicContact CD1-CG 4.5Å; Y498-Q579 HydrophobicContact CD2-CB 3.89Å; Y498-Q579 HydrophobicContact CE1-CB 3.73Å; Y498-Q579 HydrophobicContact CE1-CG 3.91Å; Y498-Q579 HydrophobicContact CE2-CB 3.78Å; Y498-Q579 HydrophobicContact CE2-CG 4.28Å; Y498-Q579 HydrophobicContact CG-CB 3.95Å; Y498-F584 HydrophobicContact CD2-CB 3.62Å; Y498-F584 HydrophobicContact CD2-CD1 4.03Å; Y498-F584 HydrophobicContact CD2-CD2 4.38Å; Y498-F584 AromaticContact CD2-CG 3.74Å; Y498-F584 HydrophobicContact CD2-CG 3.74Å; Y498-F584 HydrophobicContact CE2-CB 3.82Å; Y498-F584 HydrophobicContact CE2-CD1 4.21Å; Y498-F584 AromaticContact CE2-CD2 3.83Å; Y498-F584 HydrophobicContact CE2-CD2 3.83Å; Y498-F584 AromaticContact CE2-CG 3.66Å; Y498-F584 HydrophobicContact CE2-CG 3.66Å
499	L	96	Very high	94.6	Very high	1 Å²	1	16 Å²	16	1%	0.005	9%	0.094	C	C	.	.	H	α-helix	trans	-74.5	-48	177.8	176.8	158.1	0	0	0	110.3	T496 C497 S501 V502 V503 P559 F562 K563 F584	T496-L499 WeakPolarHBondContact O-CB 3.38Å; T496-L499 PolarHBondContact O-N 3.47Å; C497-L499 VanDerWaalsContact C-N 3.27Å; C497-L499 PolarHBondContact O-N 2.81Å; L499-S501 PolarHBondContact O-N 2.71Å; L499-V502 PolarHBondContact O-N 3.11Å; L499-V503 HydrophobicContact CD2-CG2 3.94Å; L499-V503 HydrophobicContact CG-CG2 4.4Å; L499-V503 WeakPolarHBondContact O-CG2 3.19Å; L499-V503 PolarHBondContact O-N 3.13Å; L499-P559 HydrophobicContact CD2-CG 4.24Å; L499-F562 HydrophobicContact CD1-CD1 4.03Å; L499-F562 HydrophobicContact CD1-CE1 3.83Å; L499-F562 HydrophobicContact CD2-CD1 3.98Å; L499-F562 HydrophobicContact CD2-CE1 3.89Å; L499-F562 HydrophobicContact CG-CD1 4.31Å; L499-F562 HydrophobicContact CG-CE1 3.87Å; L499-K563 HydrophobicContact CD1-CD 4.08Å; L499-F584 HydrophobicContact CB-CD1 4.36Å; L499-F584 HydrophobicContact CB-CE1 3.95Å; L499-F584 HydrophobicContact CB-CZ 4.16Å; L499-F584 HydrophobicContact CD1-CE1 4.48Å; L499-F584 HydrophobicContact CD1-CE2 4.24Å; L499-F584 HydrophobicContact CD1-CZ 3.88Å; L499-F584 HydrophobicContact CG-CE1 3.8Å; L499-F584 HydrophobicContact CG-CE2 4.41Å; L499-F584 HydrophobicContact CG-CZ 3.65Å
500	N	97.3	Very high	94.4	Very high	4 Å²	4	18.5 Å²	18.5	2%	0.021	10%	0.103	C	C	.	.	H	α-helix	trans	-59.2	-46.5	-177.6	-73.1	-13.5	0	0	0	111.8	L490 V491 T496 C497 V502 V503 Q504 D801	L490-N500 HydrophobicContact CB-CB 4.08Å; L490-N500 WeakPolarHBondContact CB-OD1 3.39Å; L490-N500 HydrophobicContact CD1-CB 4.18Å; L490-N500 PolarHBondContact O-ND2 3.49Å; V491-N500 PolarHBondContact O-ND2 3.33Å; T496-N500 PolarHBondContact O-N 3.06Å; C497-N500 PolarHBondContact O-N 3.28Å; N500-V502 PolarHBondContact O-N 2.87Å; N500-V503 PolarHBondContact O-N 3.45Å; N500-Q504 WeakPolarHBondContact O-CB 2.97Å; N500-Q504 WeakPolarHBondContact O-CG 3.3Å; N500-Q504 PolarHBondContact O-N 3.4Å; N500-D801 PolarHBondContact ND2-OD1 2.88Å
501	S	97.8	Very high	94.2	Very high	3 Å²	3	19.9 Å²	19.9	2%	0.021	11%	0.11	C	C	.	.	H	α-helix	trans	-61.5	-42.3	178	56.6	0	0	0	0	112.6	C497 Y498 L499 C505 Y784	C497-S501 WeakPolarHBondContact O-CB 3.48Å; C497-S501 PolarHBondContact O-N 2.91Å; C497-S501 PolarHBondContact O-OG 2.76Å; Y498-S501 PolarHBondContact O-OG 3.43Å; Y498-S501 VanDerWaalsContact O-OG 3.1Å; L499-S501 PolarHBondContact O-N 2.71Å; S501-C505 PolarHBondContact O-N 3.02Å; S501-C505 VanDerWaalsContact O-N 3.12Å; S501-C505 PolarHBondContact O-SG 3.13Å; S501-Y784 WeakPolarHBondContact OG-CB 3.06Å
502	V	98.2	Very high	94.1	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-62.8	-50.6	174.8	165.2	0	0	0	0	111.3	Y498 L499 N500 Q504 C505 L506 A581 F584 L585 L588 I773	Y498-V502 WeakPolarHBondContact O-CG2 3.14Å; Y498-V502 PolarHBondContact O-N 3.33Å; L499-V502 PolarHBondContact O-N 3.11Å; N500-V502 PolarHBondContact O-N 2.87Å; V502-Q504 VanDerWaalsContact C-N 3.3Å; V502-Q504 PolarHBondContact O-N 3.32Å; V502-C505 PolarHBondContact O-N 3.02Å; V502-L506 HydrophobicContact CG1-CD1 3.95Å; V502-L506 HydrophobicContact CG1-CG 4.35Å; V502-L506 WeakPolarHBondContact O-CG 3.26Å; V502-L506 PolarHBondContact O-N 2.95Å; V502-A581 HydrophobicContact CG2-CB 4.16Å; V502-F584 HydrophobicContact CB-CD1 3.85Å; V502-F584 HydrophobicContact CB-CE1 3.92Å; V502-F584 HydrophobicContact CG1-CD1 3.91Å; V502-F584 HydrophobicContact CG1-CE1 3.78Å; V502-F584 HydrophobicContact CG2-CD1 3.97Å; V502-L585 HydrophobicContact CG1-CB 4.45Å; V502-L585 HydrophobicContact CG1-CD1 3.65Å; V502-L585 HydrophobicContact CG2-CB 4.25Å; V502-L588 HydrophobicContact CG1-CD2 4.15Å; V502-I773 HydrophobicContact CB-CD1 4.41Å; V502-I773 HydrophobicContact CG2-CD1 3.67Å
503	V	98	Very high	94.1	Very high	5 Å²	5	19.2 Å²	19.2	3%	0.03	10%	0.1	C	C	.	.	H	α-helix	trans	-60.1	-41.2	-179.7	172.2	0	0	0	0	111.3	L490 L499 N500 L506 Y507 L545 F546 F562	L490-V503 HydrophobicContact CD1-CB 3.82Å; L490-V503 HydrophobicContact CD1-CG1 3.67Å; L499-V503 HydrophobicContact CD2-CG2 3.94Å; L499-V503 HydrophobicContact CG-CG2 4.4Å; L499-V503 WeakPolarHBondContact O-CG2 3.19Å; L499-V503 PolarHBondContact O-N 3.13Å; N500-V503 PolarHBondContact O-N 3.45Å; V503-L506 PolarHBondContact O-N 2.89Å; V503-Y507 VanDerWaalsContact O-CB 3.31Å; V503-Y507 WeakPolarHBondContact O-CB 3.41Å; V503-Y507 PolarHBondContact O-N 2.93Å; V503-L545 HydrophobicContact CG1-CD2 3.69Å; V503-L545 HydrophobicContact CG1-CG 4.39Å; V503-L545 HydrophobicContact CG2-CD2 4.47Å; V503-F546 HydrophobicContact CG1-CE1 4.33Å; V503-F562 HydrophobicContact CG2-CD1 4.4Å; V503-F562 HydrophobicContact CG2-CE1 3.67Å; V503-F562 HydrophobicContact CG2-CZ 4.14Å
504	Q	97.2	Very high	94.1	Very high	3 Å²	3	20.5 Å²	20.5	1%	0.014	10%	0.104	C	C	.	.	H	α-helix	trans	-59.9	-48.4	175.8	-73.3	-73.9	-4.2	0	0	111.2	T488 L490 N500 V502 L506 Y507 H508 S786 C799	T488-Q504 PolarHBondContact O-NE2 2.94Å; L490-Q504 HydrophobicContact CD1-CG 4.07Å; N500-Q504 WeakPolarHBondContact O-CB 2.97Å; N500-Q504 WeakPolarHBondContact O-CG 3.3Å; N500-Q504 PolarHBondContact O-N 3.4Å; V502-Q504 VanDerWaalsContact C-N 3.3Å; V502-Q504 PolarHBondContact O-N 3.32Å; Q504-L506 VanDerWaalsContact C-N 3.33Å; Q504-L506 PolarHBondContact O-N 2.72Å; Q504-Y507 PolarHBondContact O-N 2.93Å; Q504-H508 WeakPolarHBondContact O-CB 3.42Å; Q504-H508 PolarHBondContact O-CD2 2.72Å; Q504-H508 PolarHBondContact O-N 3.29Å; Q504-H508 PolarHBondContact OE1-NE2 3.41Å; Q504-S786 VanDerWaalsContact CB-OG 3.3Å; Q504-S786 WeakPolarHBondContact CB-OG 3.46Å; Q504-C799 HydrophobicContact CB-CB 4.12Å; Q504-C799 HydrophobicContact CG-CB 3.72Å; Q504-C799 PolarHBondContact OE1-SG 3.24Å
505	C	97.8	Very high	94.5	Very high	0 Å²	0	20 Å²	20	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-59.7	-41.3	176.5	-66.8	0	0	0	0	113	S501 V502 H508 T509 A771 I773 S786 F821	S501-C505 PolarHBondContact O-N 3.02Å; S501-C505 VanDerWaalsContact O-N 3.12Å; S501-C505 PolarHBondContact O-SG 3.13Å; V502-C505 PolarHBondContact O-N 3.02Å; C505-H508 PolarHBondContact O-N 3.39Å; C505-T509 PolarHBondContact O-N 3.45Å; C505-T509 VanDerWaalsContact O-N 3.16Å; C505-T509 PolarHBondContact O-OG1 3.48Å; C505-A771 HydrophobicContact CB-CB 3.9Å; C505-I773 WeakPolarHBondContact SG-CG1 3.45Å; C505-S786 VanDerWaalsContact SG-CB 3.5Å; C505-F821 HydrophobicContact CB-CD1 4.37Å; C505-F821 HydrophobicContact CB-CD2 4.16Å; C505-F821 HydrophobicContact CB-CE1 4.09Å; C505-F821 HydrophobicContact CB-CE2 3.87Å; C505-F821 HydrophobicContact CB-CG 4.42Å; C505-F821 HydrophobicContact CB-CZ 3.84Å
506	L	97	Very high	94.8	Very high	7 Å²	7	16.9 Å²	16.9	4%	0.037	8%	0.075	C	C	.	.	H	α-helix	trans	-69.1	-41.3	178.1	-63.4	-179.3	0	0	0	112.3	V502 V503 Q504 H508 T509 L512 F546 L585 L588 F589 F640 F821	V502-L506 HydrophobicContact CG1-CD1 3.95Å; V502-L506 HydrophobicContact CG1-CG 4.35Å; V502-L506 WeakPolarHBondContact O-CG 3.26Å; V502-L506 PolarHBondContact O-N 2.95Å; V503-L506 PolarHBondContact O-N 2.89Å; Q504-L506 VanDerWaalsContact C-N 3.33Å; Q504-L506 PolarHBondContact O-N 2.72Å; L506-H508 VanDerWaalsContact C-N 3.32Å; L506-H508 PolarHBondContact O-N 3.49Å; L506-T509 WeakPolarHBondContact O-CB 3.29Å; L506-T509 PolarHBondContact O-N 3.02Å; L506-L512 HydrophobicContact CB-CD1 4.2Å; L506-L512 HydrophobicContact CD2-CD1 3.86Å; L506-F546 HydrophobicContact CB-CZ 4.08Å; L506-L585 HydrophobicContact CD1-CD1 4.42Å; L506-L585 HydrophobicContact CD2-CD1 4.32Å; L506-L588 HydrophobicContact CD1-CD2 3.55Å; L506-F589 HydrophobicContact CD1-CE1 4.28Å; L506-F589 HydrophobicContact CD2-CE1 3.71Å; L506-F589 HydrophobicContact CD2-CZ 3.65Å; L506-F640 HydrophobicContact CD2-CZ 4.26Å; L506-F821 HydrophobicContact CD2-CE1 4.1Å
507	Y	95.7	Very high	94.7	Very high	22 Å²	22	19 Å²	19	9%	0.086	9%	0.088	C	C	.	.	H	α-helix	trans	-64.8	-35.9	175.9	172	-106.4	0	0	0	112.2	V503 Q504 T509 R513 F546 L549 S550	V503-Y507 VanDerWaalsContact O-CB 3.31Å; V503-Y507 WeakPolarHBondContact O-CB 3.41Å; V503-Y507 PolarHBondContact O-N 2.93Å; Q504-Y507 PolarHBondContact O-N 2.93Å; Y507-T509 VanDerWaalsContact C-N 3.28Å; Y507-T509 PolarHBondContact O-N 2.99Å; Y507-R513 HydrophobicContact CD2-CG 3.99Å; Y507-R513 HydrophobicContact CE2-CG 3.76Å; Y507-R513 WeakPolarHBondContact O-CB 3.49Å; Y507-R513 WeakPolarHBondContact O-CD 3.29Å; Y507-R513 PolarHBondContact O-NH1 3.02Å; Y507-F546 HydrophobicContact CD2-CB 4.2Å; Y507-F546 AromaticContact CD2-CD1 3.99Å; Y507-F546 HydrophobicContact CD2-CD1 3.99Å; Y507-F546 HydrophobicContact CD2-CD2 4.17Å; Y507-F546 HydrophobicContact CD2-CE1 4.41Å; Y507-F546 AromaticContact CD2-CG 3.86Å; Y507-F546 HydrophobicContact CD2-CG 3.86Å; Y507-L549 HydrophobicContact CD1-CB 4.43Å; Y507-L549 HydrophobicContact CD1-CD1 4.08Å; Y507-L549 HydrophobicContact CD2-CB 4.08Å; Y507-L549 HydrophobicContact CD2-CD1 3.94Å; Y507-L549 HydrophobicContact CE1-CB 4.08Å; Y507-L549 HydrophobicContact CE2-CB 3.7Å; Y507-L549 HydrophobicContact CE2-CD1 4.42Å; Y507-L549 HydrophobicContact CG-CB 4.43Å; Y507-L549 HydrophobicContact CG-CD1 3.75Å; Y507-L549 PolarHBondContact OH-O 3.39Å; Y507-S550 WeakPolarHBondContact OH-CA 3.38Å; Y507-S550 PolarHBondContact OH-OG 2.79Å
508	H	93.4	Very high	94.4	Very high	21 Å²	21	21.1 Å²	21.1	10%	0.097	10%	0.101	C	C	.	.	H	α-helix	trans	-77.2	-14.7	177.2	-76.3	-70.6	0	0	0	113.4	Q504 C505 L506 W510 R513 C788 Y790 I797	Q504-H508 WeakPolarHBondContact O-CB 3.42Å; Q504-H508 PolarHBondContact O-CD2 2.72Å; Q504-H508 PolarHBondContact O-N 3.29Å; Q504-H508 PolarHBondContact OE1-NE2 3.41Å; C505-H508 PolarHBondContact O-N 3.39Å; L506-H508 VanDerWaalsContact C-N 3.32Å; L506-H508 PolarHBondContact O-N 3.49Å; H508-W510 PolarHBondContact O-N 3.18Å; H508-W510 VanDerWaalsContact O-N 3.09Å; H508-R513 PolarHBondContact O-NH1 3.5Å; H508-C788 HydrophobicContact CB-CB 3.64Å; H508-Y790 AromaticContact CE1-CD2 3.79Å; H508-I797 VanDerWaalsContact CE1-CD1 3.48Å; H508-I797 WeakPolarHBondContact CE1-CD1 3.27Å
509	T	92.6	Very high	93.9	Very high	3 Å²	3	26.4 Å²	26.4	2%	0.018	13%	0.129	C	C	.	.	S	Bend	trans	-70	102.4	166.3	-58.7	0	0	0	0	109.8	C505 L506 Y507 I511 L512 R513 M720	C505-T509 PolarHBondContact O-N 3.45Å; C505-T509 VanDerWaalsContact O-N 3.16Å; C505-T509 PolarHBondContact O-OG1 3.48Å; L506-T509 WeakPolarHBondContact O-CB 3.29Å; L506-T509 PolarHBondContact O-N 3.02Å; Y507-T509 VanDerWaalsContact C-N 3.28Å; Y507-T509 PolarHBondContact O-N 2.99Å; T509-I511 VanDerWaalsContact C-N 3.28Å; T509-I511 PolarHBondContact O-N 3.02Å; T509-L512 HydrophobicContact CG2-CB 4.34Å; T509-L512 HydrophobicContact CG2-CD1 4.42Å; T509-L512 HydrophobicContact CG2-CG 4.21Å; T509-L512 PolarHBondContact O-N 3.16Å; T509-L512 VanDerWaalsContact O-N 3.16Å; T509-R513 PolarHBondContact O-N 3.33Å; T509-M720 HydrophobicContact CG2-CE 4.04Å; T509-M720 HydrophobicContact CG2-CG 4.43Å; T509-M720 HydrophobicContact CG2-SD 3.81Å
510	W	89.6	Confident	93.6	Very high	54 Å²	54	28.1 Å²	28.1	21%	0.205	14%	0.143	C	C	.	.	H	α-helix	trans	-59.8	-34.4	-167.9	76.6	-94.5	0	0	0	114.1	H508 R513 Q514 Y827 P830	H508-W510 PolarHBondContact O-N 3.18Å; H508-W510 VanDerWaalsContact O-N 3.09Å; W510-R513 PolarHBondContact O-N 3.04Å; W510-Q514 VanDerWaalsContact CZ3-OE1 3.27Å; W510-Q514 VanDerWaalsContact O-CB 3.28Å; W510-Q514 WeakPolarHBondContact O-CB 3.41Å; W510-Q514 PolarHBondContact O-N 3.04Å; W510-Y827 VanDerWaalsContact CZ2-O 3.28Å; W510-Y827 WeakPolarHBondContact CZ2-O 3.49Å; W510-Y827 PolarHBondContact NE1-O 3.19Å; W510-P830 HydrophobicContact CH2-CB 4.01Å; W510-P830 HydrophobicContact CZ2-CB 4.38Å; W510-P830 HydrophobicContact CZ3-CB 4.08Å
511	I	92.1	Very high	93.3	Very high	29 Å²	29	28.1 Å²	28.1	15%	0.149	14%	0.143	C	C	.	.	H	α-helix	trans	-63.8	-47.3	179.5	-54.4	173.1	0	0	0	110.2	T509 Y515 L639 V719 L823 Y827	T509-I511 VanDerWaalsContact C-N 3.28Å; T509-I511 PolarHBondContact O-N 3.02Å; I511-Y515 WeakPolarHBondContact O-CB 3.43Å; I511-Y515 PolarHBondContact O-N 3.35Å; I511-L639 HydrophobicContact CD1-CD2 4.34Å; I511-L639 HydrophobicContact CG2-CD1 4.1Å; I511-L639 HydrophobicContact CG2-CD2 3.93Å; I511-V719 HydrophobicContact CD1-CG1 4.1Å; I511-L823 HydrophobicContact CD1-CD1 3.91Å; I511-Y827 HydrophobicContact CD1-CD1 4.11Å; I511-Y827 HydrophobicContact CD1-CG 4.35Å
512	L	93.1	Very high	93	Very high	5 Å²	5	31.7 Å²	31.7	3%	0.026	16%	0.162	C	C	.	.	H	α-helix	trans	-63.7	-47.1	175.4	-78.2	-174.6	0	0	0	111.2	L506 T509 Q514 Y515 F516 F546 L635 L639 F640	L506-L512 HydrophobicContact CB-CD1 4.2Å; L506-L512 HydrophobicContact CD2-CD1 3.86Å; T509-L512 HydrophobicContact CG2-CB 4.34Å; T509-L512 HydrophobicContact CG2-CD1 4.42Å; T509-L512 HydrophobicContact CG2-CG 4.21Å; T509-L512 PolarHBondContact O-N 3.16Å; T509-L512 VanDerWaalsContact O-N 3.16Å; L512-Q514 VanDerWaalsContact C-N 3.34Å; L512-Q514 PolarHBondContact O-N 3.43Å; L512-Y515 PolarHBondContact O-N 3.04Å; L512-F516 HydrophobicContact CD2-CE2 4.27Å; L512-F516 WeakPolarHBondContact O-CD2 3.44Å; L512-F516 PolarHBondContact O-N 2.95Å; L512-F546 HydrophobicContact CB-CE2 4.43Å; L512-L635 HydrophobicContact CD2-CD2 3.57Å; L512-L635 HydrophobicContact CD2-CG 4.23Å; L512-L639 HydrophobicContact CD2-CD1 3.53Å; L512-L639 HydrophobicContact CG-CD1 3.96Å; L512-F640 HydrophobicContact CD1-CE2 3.79Å; L512-F640 HydrophobicContact CD1-CZ 3.59Å; L512-F640 HydrophobicContact CD2-CE2 4.17Å; L512-F640 HydrophobicContact CG-CE2 4.21Å; L512-F640 HydrophobicContact CG-CZ 4.24Å
513	R	92.7	Very high	92.6	Very high	70 Å²	70	38.6 Å²	38.6	26%	0.264	19%	0.191	S	C	.	.	H	α-helix	trans	-54.5	-53	177.4	-174.3	174.1	60.1	-115.5	2.3	110.8	Y507 H508 T509 W510 Y515 F516 T517	Y507-R513 HydrophobicContact CD2-CG 3.99Å; Y507-R513 HydrophobicContact CE2-CG 3.76Å; Y507-R513 WeakPolarHBondContact O-CB 3.49Å; Y507-R513 WeakPolarHBondContact O-CD 3.29Å; Y507-R513 PolarHBondContact O-NH1 3.02Å; H508-R513 PolarHBondContact O-NH1 3.5Å; T509-R513 PolarHBondContact O-N 3.33Å; W510-R513 PolarHBondContact O-N 3.04Å; R513-Y515 VanDerWaalsContact C-N 3.33Å; R513-Y515 PolarHBondContact O-N 3.31Å; R513-F516 PolarHBondContact O-N 3.07Å; R513-T517 HydrophobicContact CG-CG2 4.18Å; R513-T517 WeakPolarHBondContact O-CB 3.43Å; R513-T517 VanDerWaalsContact O-CG2 3.32Å; R513-T517 WeakPolarHBondContact O-CG2 3.3Å; R513-T517 PolarHBondContact O-N 3.39Å; R513-T517 PolarHBondContact O-OG1 3.2Å
514	Q	91.2	Very high	92.2	Very high	87 Å²	87	40.4 Å²	40.4	41%	0.407	20%	0.201	S	C	.	.	H	α-helix	trans	-59.1	-43.1	179.5	-177.9	175.2	-40.2	0	0	111.7	W510 L512 T518	W510-Q514 VanDerWaalsContact CZ3-OE1 3.27Å; W510-Q514 VanDerWaalsContact O-CB 3.28Å; W510-Q514 WeakPolarHBondContact O-CB 3.41Å; W510-Q514 PolarHBondContact O-N 3.04Å; L512-Q514 VanDerWaalsContact C-N 3.34Å; L512-Q514 PolarHBondContact O-N 3.43Å; Q514-T518 HydrophobicContact CG-CG2 4Å; Q514-T518 VanDerWaalsContact O-CB 3.26Å; Q514-T518 WeakPolarHBondContact O-CB 3.46Å; Q514-T518 WeakPolarHBondContact O-CG2 3.4Å; Q514-T518 PolarHBondContact O-N 3.37Å; Q514-T518 VanDerWaalsContact O-N 3.13Å; Q514-T518 PolarHBondContact O-OG1 3.29Å
515	Y	93.9	Very high	91.8	Very high	25 Å²	25	43 Å²	43	10%	0.098	21%	0.212	C	C	.	.	H	α-helix	trans	-58.8	-50	178.3	176.2	-95.4	0	0	0	112.3	I511 L512 R513 A520 F521 D524 M596 L635	I511-Y515 WeakPolarHBondContact O-CB 3.43Å; I511-Y515 PolarHBondContact O-N 3.35Å; L512-Y515 PolarHBondContact O-N 3.04Å; R513-Y515 VanDerWaalsContact C-N 3.33Å; R513-Y515 PolarHBondContact O-N 3.31Å; Y515-A520 HydrophobicContact CD2-CB 3.88Å; Y515-A520 HydrophobicContact CE2-CB 4.24Å; Y515-F521 HydrophobicContact CD1-CB 4.31Å; Y515-F521 HydrophobicContact CE1-CB 4Å; Y515-F521 AromaticContact CE1-CD2 3.9Å; Y515-F521 HydrophobicContact CE1-CD2 3.9Å; Y515-F521 HydrophobicContact CE1-CG 4.47Å; Y515-F521 WeakPolarHBondContact O-CB 3.38Å; Y515-F521 PolarHBondContact O-N 3.45Å; Y515-D524 WeakPolarHBondContact CE2-OD2 3.43Å; Y515-D524 WeakPolarHBondContact OH-CB 3.45Å; Y515-D524 PolarHBondContact OH-OD2 3.15Å; Y515-M596 HydrophobicContact CE1-CE 4.27Å; Y515-M596 WeakPolarHBondContact OH-CE 3.45Å; Y515-L635 HydrophobicContact CD1-CD2 3.33Å; Y515-L635 HydrophobicContact CD2-CD1 4.26Å; Y515-L635 HydrophobicContact CD2-CD2 4.11Å; Y515-L635 HydrophobicContact CE1-CD2 3.62Å; Y515-L635 HydrophobicContact CE2-CD2 4.38Å; Y515-L635 HydrophobicContact CG-CD1 4.4Å; Y515-L635 HydrophobicContact CG-CD2 3.58Å
516	F	94.5	Very high	91.3	Very high	4 Å²	4	45.7 Å²	45.7	2%	0.018	23%	0.231	C	C	.	.	H	α-helix	trans	-74.8	-32.4	-177.2	-77.4	-70	0	0	0	113.5	L512 R513 F521 A539 V542 K543 F546 L592	L512-F516 HydrophobicContact CD2-CE2 4.27Å; L512-F516 WeakPolarHBondContact O-CD2 3.44Å; L512-F516 PolarHBondContact O-N 2.95Å; R513-F516 PolarHBondContact O-N 3.07Å; F516-F521 AromaticContact CD1-CD2 3.75Å; F516-F521 HydrophobicContact CD1-CD2 3.75Å; F516-F521 HydrophobicContact CD1-CE2 4.21Å; F516-F521 HydrophobicContact CD1-CG 4.24Å; F516-F521 AromaticContact CE1-CD2 3.77Å; F516-F521 HydrophobicContact CE1-CD2 3.77Å; F516-F521 AromaticContact CE1-CE2 3.96Å; F516-F521 HydrophobicContact CE1-CE2 3.96Å; F516-A539 HydrophobicContact CE1-CB 4.36Å; F516-V542 HydrophobicContact CD1-CB 4.45Å; F516-V542 HydrophobicContact CD1-CG1 4.04Å; F516-V542 HydrophobicContact CD2-CG1 3.81Å; F516-V542 HydrophobicContact CE1-CB 4.2Å; F516-V542 HydrophobicContact CE1-CG1 3.96Å; F516-V542 HydrophobicContact CE2-CG1 3.75Å; F516-V542 HydrophobicContact CG-CG1 3.97Å; F516-V542 HydrophobicContact CZ-CB 4.35Å; F516-V542 HydrophobicContact CZ-CG1 3.83Å; F516-K543 HydrophobicContact CD1-CB 4.14Å; F516-K543 WeakPolarHBondContact O-CD 3.28Å; F516-K543 WeakPolarHBondContact O-CG 3.43Å; F516-K543 PolarHBondContact O-NZ 3.26Å; F516-F546 HydrophobicContact CB-CD2 3.8Å; F516-F546 HydrophobicContact CB-CE2 4.47Å; F516-F546 HydrophobicContact CB-CG 4.47Å; F516-F546 HydrophobicContact CD2-CD2 4.11Å; F516-F546 AromaticContact CD2-CE2 3.93Å; F516-F546 HydrophobicContact CD2-CE2 3.93Å; F516-F546 HydrophobicContact CG-CD2 4.29Å; F516-L592 HydrophobicContact CZ-CD2 4.34Å
517	T	90.8	Very high	90.7	Very high	46 Å²	46	47.3 Å²	47.3	28%	0.282	24%	0.241	S	C	.	.	H	α-helix	trans	-89	-1.8	-178.8	65.9	0	0	0	0	114.3	R513 F546 E547	R513-T517 HydrophobicContact CG-CG2 4.18Å; R513-T517 WeakPolarHBondContact O-CB 3.43Å; R513-T517 VanDerWaalsContact O-CG2 3.32Å; R513-T517 WeakPolarHBondContact O-CG2 3.3Å; R513-T517 PolarHBondContact O-N 3.39Å; R513-T517 PolarHBondContact O-OG1 3.2Å; T517-F546 HydrophobicContact CG2-CB 3.95Å; T517-E547 HydrophobicContact CG2-CG 4.48Å
518	T	87.7	Confident	90.3	Very high	54 Å²	54	46.2 Å²	46.2	33%	0.331	24%	0.237	S	C	.	.	S	Bend	trans	-114.1	177.5	176.8	64	0	0	0	0	111.4	Q514 A520	Q514-T518 HydrophobicContact CG-CG2 4Å; Q514-T518 VanDerWaalsContact O-CB 3.26Å; Q514-T518 WeakPolarHBondContact O-CB 3.46Å; Q514-T518 WeakPolarHBondContact O-CG2 3.4Å; Q514-T518 PolarHBondContact O-N 3.37Å; Q514-T518 VanDerWaalsContact O-N 3.13Å; Q514-T518 PolarHBondContact O-OG1 3.29Å; T518-A520 PolarHBondContact O-N 3.23Å; T518-A520 VanDerWaalsContact O-N 3.15Å; T518-A520 PolarHBondContact OG1-N 3.14Å
519	D	86.5	Confident	89.8	Confident	112 Å²	112	47.8 Å²	47.8	60%	0.599	25%	0.248	S	C	*	.	H	α-helix	trans	-67.8	-6.7	176.4	-61.8	-25.5	0	0	0	113.5	L522 K523	D519-L522 PolarHBondContact O-N 3.43Å; D519-K523 WeakPolarHBondContact O-CG 3.28Å; D519-K523 PolarHBondContact O-N 2.92Å
520	A	89	Confident	89.2	Confident	37 Å²	37	52.9 Å²	52.9	31%	0.306	28%	0.283	S	S	.	.	H	α-helix	trans	-58	-49.9	176.8	0	0	0	0	0	111.4	Y515 T518 L522 K523 D524	Y515-A520 HydrophobicContact CD2-CB 3.88Å; Y515-A520 HydrophobicContact CE2-CB 4.24Å; T518-A520 PolarHBondContact O-N 3.23Å; T518-A520 VanDerWaalsContact O-N 3.15Å; T518-A520 PolarHBondContact OG1-N 3.14Å; A520-L522 VanDerWaalsContact C-N 3.32Å; A520-L522 PolarHBondContact O-N 3.27Å; A520-K523 PolarHBondContact O-N 3.02Å; A520-D524 PolarHBondContact O-N 3.42Å
521	F	91.2	Very high	88.8	Confident	3 Å²	3	56.8 Å²	56.8	1%	0.013	30%	0.303	C	S	.	.	H	α-helix	trans	-60.1	-40.8	173.8	171.2	-92.4	0	0	0	112.5	Y515 F516 K523 D524 F525 A539 K543 M596	Y515-F521 HydrophobicContact CD1-CB 4.31Å; Y515-F521 HydrophobicContact CE1-CB 4Å; Y515-F521 AromaticContact CE1-CD2 3.9Å; Y515-F521 HydrophobicContact CE1-CD2 3.9Å; Y515-F521 HydrophobicContact CE1-CG 4.47Å; Y515-F521 WeakPolarHBondContact O-CB 3.38Å; Y515-F521 PolarHBondContact O-N 3.45Å; F516-F521 AromaticContact CD1-CD2 3.75Å; F516-F521 HydrophobicContact CD1-CD2 3.75Å; F516-F521 HydrophobicContact CD1-CE2 4.21Å; F516-F521 HydrophobicContact CD1-CG 4.24Å; F516-F521 AromaticContact CE1-CD2 3.77Å; F516-F521 HydrophobicContact CE1-CD2 3.77Å; F516-F521 AromaticContact CE1-CE2 3.96Å; F516-F521 HydrophobicContact CE1-CE2 3.96Å; F521-K523 VanDerWaalsContact C-N 3.27Å; F521-K523 PolarHBondContact O-N 3.19Å; F521-D524 PolarHBondContact O-N 3.39Å; F521-F525 HydrophobicContact CD1-CB 4.28Å; F521-F525 HydrophobicContact CE1-CB 3.95Å; F521-F525 AromaticContact CE1-CD2 3.88Å; F521-F525 HydrophobicContact CE1-CD2 3.88Å; F521-F525 HydrophobicContact CE1-CG 4.13Å; F521-F525 HydrophobicContact CZ-CB 4.2Å; F521-F525 AromaticContact CZ-CD2 3.74Å; F521-F525 HydrophobicContact CZ-CD2 3.74Å; F521-F525 HydrophobicContact CZ-CG 4.34Å; F521-F525 VanDerWaalsContact O-CB 3.22Å; F521-F525 WeakPolarHBondContact O-CB 3.45Å; F521-F525 PolarHBondContact O-N 2.95Å; F521-A539 HydrophobicContact CE2-CB 3.85Å; F521-A539 HydrophobicContact CZ-CB 4.36Å; F521-K543 HydrophobicContact CD1-CB 4.36Å; F521-K543 HydrophobicContact CD1-CD 3.19Å; F521-K543 HydrophobicContact CD1-CG 4.37Å; F521-K543 HydrophobicContact CE1-CB 4.23Å; F521-K543 HydrophobicContact CE1-CD 3.46Å; F521-K543 VanDerWaalsContact CE1-CD 3.46Å; F521-K543 HydrophobicContact CE1-CG 4.49Å; F521-K543 HydrophobicContact CG-CD 4.03Å; F521-K543 HydrophobicContact CZ-CD 4.49Å; F521-M596 HydrophobicContact CD2-CE 3.66Å; F521-M596 HydrophobicContact CD2-SD 4.45Å; F521-M596 HydrophobicContact CE2-CE 3.63Å; F521-M596 HydrophobicContact CE2-SD 3.85Å
522	L	90.7	Very high	88.2	Confident	79 Å²	79	58.6 Å²	58.6	41%	0.414	31%	0.308	S	S	.	.	H	α-helix	trans	-64.3	-34	-177.3	-67.3	179.5	0	0	0	112.2	D519 A520 S526 K543	D519-L522 PolarHBondContact O-N 3.43Å; A520-L522 VanDerWaalsContact C-N 3.32Å; A520-L522 PolarHBondContact O-N 3.27Å; L522-S526 WeakPolarHBondContact O-CB 3.38Å; L522-S526 PolarHBondContact O-N 2.8Å; L522-K543 HydrophobicContact CD2-CD 4.46Å
523	K	89.3	Confident	87.5	Confident	144 Å²	144	65.6 Å²	65.6	63%	0.626	35%	0.346	S	S	*	.	H	α-helix	trans	-62.1	-52.9	173.4	-69.9	171.3	-175.7	179.5	0	110.8	D519 A520 F521 F525 S526 V527	D519-K523 WeakPolarHBondContact O-CG 3.28Å; D519-K523 PolarHBondContact O-N 2.92Å; A520-K523 PolarHBondContact O-N 3.02Å; F521-K523 VanDerWaalsContact C-N 3.27Å; F521-K523 PolarHBondContact O-N 3.19Å; K523-F525 PolarHBondContact O-N 3.5Å; K523-S526 PolarHBondContact O-N 3.35Å; K523-S526 PolarHBondContact O-OG 2.92Å; K523-V527 PolarHBondContact O-N 3.5Å; K523-V527 VanDerWaalsContact O-N 3.17Å
524	D	89.8	Confident	87	Confident	43 Å²	43	65.5 Å²	65.5	23%	0.23	35%	0.346	C	S	.	.	H	α-helix	trans	-65.1	-40.4	-179.8	-66.3	-15.3	0	0	0	111.7	Y515 A520 F521 S526 V527 L528 M596 L598	Y515-D524 WeakPolarHBondContact CE2-OD2 3.43Å; Y515-D524 WeakPolarHBondContact OH-CB 3.45Å; Y515-D524 PolarHBondContact OH-OD2 3.15Å; A520-D524 PolarHBondContact O-N 3.42Å; F521-D524 PolarHBondContact O-N 3.39Å; D524-S526 VanDerWaalsContact C-N 3.33Å; D524-S526 PolarHBondContact O-N 2.95Å; D524-V527 PolarHBondContact O-N 3.39Å; D524-V527 VanDerWaalsContact O-N 3.17Å; D524-L528 WeakPolarHBondContact O-CD1 3.46Å; D524-L528 VanDerWaalsContact O-CG 3.28Å; D524-L528 WeakPolarHBondContact O-CG 3.39Å; D524-L528 PolarHBondContact O-N 3.4Å; D524-M596 HydrophobicContact CB-CE 4.11Å; D524-L598 HydrophobicContact CB-CD1 4.45Å; D524-L598 HydrophobicContact CB-CD2 4.45Å
525	F	89.7	Confident	86.7	Confident	58 Å²	58	65.9 Å²	65.9	25%	0.254	36%	0.357	S	S	.	.	H	α-helix	trans	-56.7	-44.6	174.4	-179.1	-87.6	0	0	0	112	F521 K523 V527 L528 T529 P536 T540	F521-F525 HydrophobicContact CD1-CB 4.28Å; F521-F525 HydrophobicContact CE1-CB 3.95Å; F521-F525 AromaticContact CE1-CD2 3.88Å; F521-F525 HydrophobicContact CE1-CD2 3.88Å; F521-F525 HydrophobicContact CE1-CG 4.13Å; F521-F525 HydrophobicContact CZ-CB 4.2Å; F521-F525 AromaticContact CZ-CD2 3.74Å; F521-F525 HydrophobicContact CZ-CD2 3.74Å; F521-F525 HydrophobicContact CZ-CG 4.34Å; F521-F525 VanDerWaalsContact O-CB 3.22Å; F521-F525 WeakPolarHBondContact O-CB 3.45Å; F521-F525 PolarHBondContact O-N 2.95Å; K523-F525 PolarHBondContact O-N 3.5Å; F525-V527 VanDerWaalsContact C-N 3.34Å; F525-V527 PolarHBondContact O-N 3.05Å; F525-L528 PolarHBondContact O-N 3.33Å; F525-T529 WeakPolarHBondContact O-CB 3.4Å; F525-T529 PolarHBondContact O-N 3.19Å; F525-T529 PolarHBondContact O-OG1 3.47Å; F525-P536 HydrophobicContact CD2-CG 3.46Å; F525-P536 VanDerWaalsContact CD2-CG 3.46Å; F525-P536 HydrophobicContact CE2-CG 3.58Å; F525-T540 WeakPolarHBondContact CE2-OG1 3.45Å
526	S	86.1	Confident	86.5	Confident	56 Å²	56	64.8 Å²	64.8	39%	0.392	35%	0.353	S	S	.	.	H	α-helix	trans	-64.3	-38.5	177.8	75.6	0	0	0	0	112.1	L522 K523 D524 C530	L522-S526 WeakPolarHBondContact O-CB 3.38Å; L522-S526 PolarHBondContact O-N 2.8Å; K523-S526 PolarHBondContact O-N 3.35Å; K523-S526 PolarHBondContact O-OG 2.92Å; D524-S526 VanDerWaalsContact C-N 3.33Å; D524-S526 PolarHBondContact O-N 2.95Å; S526-C530 WeakPolarHBondContact O-CB 3.46Å; S526-C530 PolarHBondContact O-N 3.49Å; S526-C530 PolarHBondContact O-SG 3.14Å
527	V	85.8	Confident	86.4	Confident	41 Å²	41	69.5 Å²	69.5	25%	0.248	37%	0.373	C	S	.	.	H	α-helix	trans	-65.3	-48.6	175.7	172.5	0	0	0	0	110.3	K523 D524 F525 T529 Q531 Y532 L598	K523-V527 PolarHBondContact O-N 3.5Å; K523-V527 VanDerWaalsContact O-N 3.17Å; D524-V527 PolarHBondContact O-N 3.39Å; D524-V527 VanDerWaalsContact O-N 3.17Å; F525-V527 VanDerWaalsContact C-N 3.34Å; F525-V527 PolarHBondContact O-N 3.05Å; V527-T529 VanDerWaalsContact C-N 3.34Å; V527-T529 PolarHBondContact O-N 3.47Å; V527-Q531 WeakPolarHBondContact O-CA 3.36Å; V527-Q531 VanDerWaalsContact O-CB 3.26Å; V527-Q531 WeakPolarHBondContact O-CB 3.47Å; V527-Q531 PolarHBondContact O-N 3.14Å; V527-Y532 HydrophobicContact CG1-CD2 4.32Å; V527-Y532 HydrophobicContact CG1-CE2 3.9Å; V527-L598 HydrophobicContact CB-CD2 4.27Å; V527-L598 HydrophobicContact CG1-CD2 3.92Å
528	L	85.8	Confident	86.7	Confident	0 Å²	0	67.6 Å²	67.6	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-59.7	-42.8	179.3	-69.3	161.5	0	0	0	112.4	D524 F525 Y532 N533 R534 E595 M596 L598	D524-L528 WeakPolarHBondContact O-CD1 3.46Å; D524-L528 VanDerWaalsContact O-CG 3.28Å; D524-L528 WeakPolarHBondContact O-CG 3.39Å; D524-L528 PolarHBondContact O-N 3.4Å; F525-L528 PolarHBondContact O-N 3.33Å; L528-Y532 HydrophobicContact CD2-CD2 4.25Å; L528-Y532 CarbonylContact O-C 3.43Å; L528-Y532 WeakPolarHBondContact O-CA 3.5Å; L528-Y532 WeakPolarHBondContact O-CB 3.32Å; L528-Y532 PolarHBondContact O-N 3.24Å; L528-N533 PolarHBondContact O-N 2.86Å; L528-R534 PolarHBondContact O-N 3.41Å; L528-E595 WeakPolarHBondContact CD1-O 3.44Å; L528-M596 HydrophobicContact CD1-CE 3.95Å; L528-M596 HydrophobicContact CD1-SD 3.79Å; L528-L598 HydrophobicContact CD1-CD2 4.41Å; L528-L598 HydrophobicContact CD2-CD2 3.95Å; L528-L598 HydrophobicContact CG-CD2 3.85Å
529	T	83.3	Confident	87	Confident	53 Å²	53	65 Å²	65	33%	0.325	35%	0.346	S	S	.	.	H	α-helix	trans	-76.3	-50	-178.4	-50.2	0	0	0	0	111.6	F525 V527 N533 R534	F525-T529 WeakPolarHBondContact O-CB 3.4Å; F525-T529 PolarHBondContact O-N 3.19Å; F525-T529 PolarHBondContact O-OG1 3.47Å; V527-T529 VanDerWaalsContact C-N 3.34Å; V527-T529 PolarHBondContact O-N 3.47Å; T529-N533 WeakPolarHBondContact O-CA 3.42Å; T529-N533 PolarHBondContact O-N 3.24Å; T529-R534 WeakPolarHBondContact CA-O 3.45Å
530	C	81.5	Confident	87.4	Confident	111 Å²	111	61.7 Å²	61.7	75%	0.75	33%	0.329	S	S	*	.	H	α-helix	trans	-79.9	-35.6	-172.2	-62.2	0	0	0	0	113.5	S526	S526-C530 WeakPolarHBondContact O-CB 3.46Å; S526-C530 PolarHBondContact O-N 3.49Å; S526-C530 PolarHBondContact O-SG 3.14Å
531	Q	80.6	Confident	87.8	Confident	136 Å²	136	62.2 Å²	62.2	64%	0.636	33%	0.325	S	S	*	.	H	α-helix	trans	-97.6	-34.7	-175.6	-57.2	-176.6	7.5	0	0	112.5	V527	V527-Q531 WeakPolarHBondContact O-CA 3.36Å; V527-Q531 VanDerWaalsContact O-CB 3.26Å; V527-Q531 WeakPolarHBondContact O-CB 3.47Å; V527-Q531 PolarHBondContact O-N 3.14Å
532	Y	78.8	Confident	88.1	Confident	66 Å²	66	62.5 Å²	62.5	26%	0.259	33%	0.327	S	S	.	.	H	α-helix	trans	-110.9	0.6	-174.6	-56.3	-53.9	0	0	0	114.1	V527 L528 R534 L598	V527-Y532 HydrophobicContact CG1-CD2 4.32Å; V527-Y532 HydrophobicContact CG1-CE2 3.9Å; L528-Y532 HydrophobicContact CD2-CD2 4.25Å; L528-Y532 CarbonylContact O-C 3.43Å; L528-Y532 WeakPolarHBondContact O-CA 3.5Å; L528-Y532 WeakPolarHBondContact O-CB 3.32Å; L528-Y532 PolarHBondContact O-N 3.24Å; Y532-R534 PolarHBondContact O-N 2.62Å; Y532-L598 PolarHBondContact OH-O 3.06Å
533	N	78.2	Confident	88.3	Confident	153 Å²	153	59.6 Å²	59.6	82%	0.818	31%	0.311	S	S	*	.			trans	51	37.3	-179.3	-162.2	34.5	0	0	0	113.3	L528 T529	L528-N533 PolarHBondContact O-N 2.86Å; T529-N533 WeakPolarHBondContact O-CA 3.42Å; T529-N533 PolarHBondContact O-N 3.24Å
534	R	82.3	Confident	88.6	Confident	68 Å²	68	54.9 Å²	54.9	26%	0.257	30%	0.295	S	S	.	.			trans	-99.6	150.5	177.5	-61.5	-171.2	-172.9	163	10.7	110.8	L528 T529 Y532 N597	L528-R534 PolarHBondContact O-N 3.41Å; T529-R534 WeakPolarHBondContact CA-O 3.45Å; Y532-R534 PolarHBondContact O-N 2.62Å; R534-N597 PolarHBondContact NH1-O 3.29Å
535	C	85.5	Confident	88.9	Confident	95 Å²	95	53.2 Å²	53.2	64%	0.642	29%	0.285	S	S	*	.			trans	-121.8	93.8	174.4	-171.7	0	0	0	0	109.1	K537	C535-K537 VanDerWaalsContact C-N 3.31Å; C535-K537 PolarHBondContact O-N 3Å
536	P	89.4	Confident	89.2	Confident	1 Å²	1	50.7 Å²	50.7	1%	0.006	27%	0.274	C	S	.	.			trans	-77.5	79.1	-175.3	33.3	-37	0	0	0	110.9	F525 A539 T540 E595 M596	F525-P536 HydrophobicContact CD2-CG 3.46Å; F525-P536 VanDerWaalsContact CD2-CG 3.46Å; F525-P536 HydrophobicContact CE2-CG 3.58Å; P536-A539 HydrophobicContact CB-CB 4.1Å; P536-T540 WeakPolarHBondContact O-CB 3.41Å; P536-T540 PolarHBondContact O-N 2.95Å; P536-T540 PolarHBondContact O-OG1 3.26Å; P536-E595 WeakPolarHBondContact CA-OE2 3.46Å; P536-E595 HydrophobicContact CB-CB 3.72Å; P536-E595 HydrophobicContact CB-CG 4.23Å; P536-M596 HydrophobicContact CB-SD 4.05Å; P536-M596 HydrophobicContact CG-SD 4.46Å
537	K	93.1	Very high	89.5	Confident	104 Å²	104	51.5 Å²	51.5	45%	0.452	27%	0.272	S	S	.	.	H	α-helix	trans	-63	-50.8	-172.2	-72.4	-179	170.3	-172	0	112.3	C535 T540 Q541 E568 E595	C535-K537 VanDerWaalsContact C-N 3.31Å; C535-K537 PolarHBondContact O-N 3Å; K537-T540 PolarHBondContact O-N 3.39Å; K537-Q541 WeakPolarHBondContact O-CG 3.49Å; K537-Q541 PolarHBondContact O-N 3.5Å; K537-E568 IonicContact NZ-OE2 2.87Å; K537-E568 PolarHBondContact NZ-OE2 3.35Å; K537-E595 PolarHBondContact N-OE1 3.18Å; K537-E595 PolarHBondContact N-OE2 3.41Å
538	I	95.5	Very high	89.8	Confident	6 Å²	6	53.2 Å²	53.2	3%	0.031	28%	0.276	C	S	.	.	H	α-helix	trans	-64.9	-43.9	-177.4	-67.2	168	0	0	0	109.4	T540 Q541 V542 F562 A565 I566 F587 L588 A591 L592 E595	I538-T540 VanDerWaalsContact C-N 3.34Å; I538-T540 PolarHBondContact O-N 3.41Å; I538-Q541 PolarHBondContact O-N 2.86Å; I538-Q541 VanDerWaalsContact O-N 3.1Å; I538-V542 WeakPolarHBondContact O-CG2 3.18Å; I538-V542 PolarHBondContact O-N 3.34Å; I538-F562 HydrophobicContact CG2-CE2 4.26Å; I538-A565 HydrophobicContact CG1-CB 4.27Å; I538-I566 HydrophobicContact CD1-CD1 4.31Å; I538-I566 HydrophobicContact CG1-CD1 4.42Å; I538-I566 HydrophobicContact CG2-CD1 3.98Å; I538-F587 HydrophobicContact CD1-CZ 4.26Å; I538-L588 HydrophobicContact CG2-CD1 3.78Å; I538-A591 HydrophobicContact CD1-CB 3.73Å; I538-L592 HydrophobicContact CG2-CD2 4.28Å; I538-E595 WeakPolarHBondContact CA-OE2 3.39Å; I538-E595 WeakPolarHBondContact CB-OE2 3.49Å; I538-E595 PolarHBondContact N-OE1 3.23Å; I538-E595 PolarHBondContact N-OE2 3.22Å
539	A	95.3	Very high	90.1	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-63.1	-38.4	178.1	0	0	0	0	0	112.5	F516 F521 P536 Q541 V542 K543 L592 E595 M596	F516-A539 HydrophobicContact CE1-CB 4.36Å; F521-A539 HydrophobicContact CE2-CB 3.85Å; F521-A539 HydrophobicContact CZ-CB 4.36Å; P536-A539 HydrophobicContact CB-CB 4.1Å; A539-Q541 VanDerWaalsContact C-N 3.34Å; A539-V542 PolarHBondContact O-N 2.99Å; A539-K543 PolarHBondContact O-N 3.28Å; A539-L592 HydrophobicContact CB-CD2 3.72Å; A539-E595 PolarHBondContact N-OE2 2.97Å; A539-M596 HydrophobicContact CB-CG 3.95Å; A539-M596 HydrophobicContact CB-SD 3.53Å; A539-M596 VanDerWaalsContact CB-SD 3.53Å
540	T	95.1	Very high	90.4	Very high	41 Å²	41	52.8 Å²	52.8	25%	0.252	28%	0.275	S	S	.	.	H	α-helix	trans	-61	-42.7	171.6	-64.9	0	0	0	0	111.4	F525 P536 K537 I538 K543 V544	F525-T540 WeakPolarHBondContact CE2-OG1 3.45Å; P536-T540 WeakPolarHBondContact O-CB 3.41Å; P536-T540 PolarHBondContact O-N 2.95Å; P536-T540 PolarHBondContact O-OG1 3.26Å; K537-T540 PolarHBondContact O-N 3.39Å; I538-T540 VanDerWaalsContact C-N 3.34Å; I538-T540 PolarHBondContact O-N 3.41Å; T540-K543 WeakPolarHBondContact O-CB 3.39Å; T540-K543 PolarHBondContact O-N 3.49Å; T540-V544 WeakPolarHBondContact O-CG2 3.36Å; T540-V544 PolarHBondContact O-N 3.43Å
541	Q	96.8	Very high	90.5	Very high	48 Å²	48	50.7 Å²	50.7	22%	0.224	26%	0.259	C	S	.	.	H	α-helix	trans	-68.1	-35	176.8	-64.4	-52.2	-29.2	0	0	112.9	K537 I538 A539 V544 L545 D561 F562 A565	K537-Q541 WeakPolarHBondContact O-CG 3.49Å; K537-Q541 PolarHBondContact O-N 3.5Å; I538-Q541 PolarHBondContact O-N 2.86Å; I538-Q541 VanDerWaalsContact O-N 3.1Å; A539-Q541 VanDerWaalsContact C-N 3.34Å; Q541-V544 PolarHBondContact O-N 3.08Å; Q541-L545 VanDerWaalsContact O-CB 3.24Å; Q541-L545 WeakPolarHBondContact O-CB 3.28Å; Q541-L545 PolarHBondContact O-N 3Å; Q541-D561 VanDerWaalsContact OE1-CB 3.22Å; Q541-F562 HydrophobicContact CB-CB 4.18Å; Q541-F562 HydrophobicContact CB-CD2 3.83Å; Q541-A565 HydrophobicContact CB-CB 4.44Å; Q541-A565 HydrophobicContact CG-CB 3.75Å
542	V	97.3	Very high	90	Very high	9 Å²	9	48.3 Å²	48.3	6%	0.055	25%	0.246	C	C	.	.	H	α-helix	trans	-59.5	-46.6	171	173.6	0	0	0	0	110.6	F516 I538 A539 L545 F546 F562 L592	F516-V542 HydrophobicContact CD1-CB 4.45Å; F516-V542 HydrophobicContact CD1-CG1 4.04Å; F516-V542 HydrophobicContact CD2-CG1 3.81Å; F516-V542 HydrophobicContact CE1-CB 4.2Å; F516-V542 HydrophobicContact CE1-CG1 3.96Å; F516-V542 HydrophobicContact CE2-CG1 3.75Å; F516-V542 HydrophobicContact CG-CG1 3.97Å; F516-V542 HydrophobicContact CZ-CB 4.35Å; F516-V542 HydrophobicContact CZ-CG1 3.83Å; I538-V542 WeakPolarHBondContact O-CG2 3.18Å; I538-V542 PolarHBondContact O-N 3.34Å; A539-V542 PolarHBondContact O-N 2.99Å; V542-L545 PolarHBondContact O-N 2.98Å; V542-F546 HydrophobicContact CG1-CD1 4.15Å; V542-F546 HydrophobicContact CG1-CD2 4.4Å; V542-F546 HydrophobicContact CG1-CE1 3.94Å; V542-F546 HydrophobicContact CG1-CE2 4.21Å; V542-F546 HydrophobicContact CG1-CG 4.38Å; V542-F546 HydrophobicContact CG1-CZ 3.97Å; V542-F546 WeakPolarHBondContact O-CB 3.28Å; V542-F546 WeakPolarHBondContact O-CD1 3.41Å; V542-F546 WeakPolarHBondContact O-CG 3.34Å; V542-F546 PolarHBondContact O-N 3.34Å; V542-F562 HydrophobicContact CG2-CD2 4.27Å; V542-F562 HydrophobicContact CG2-CE2 3.6Å; V542-F562 HydrophobicContact CG2-CZ 4.42Å; V542-L592 HydrophobicContact CG2-CD2 4.19Å
543	K	95.3	Very high	89.9	Confident	19 Å²	19	55 Å²	55	8%	0.083	27%	0.271	C	S	.	.	H	α-helix	trans	-56.5	-53.7	175.1	168.6	164.4	-178.5	64	0	112.1	F516 F521 L522 A539 T540 L545 F546 E547	F516-K543 HydrophobicContact CD1-CB 4.14Å; F516-K543 WeakPolarHBondContact O-CD 3.28Å; F516-K543 WeakPolarHBondContact O-CG 3.43Å; F516-K543 PolarHBondContact O-NZ 3.26Å; F521-K543 HydrophobicContact CD1-CB 4.36Å; F521-K543 HydrophobicContact CD1-CD 3.19Å; F521-K543 HydrophobicContact CD1-CG 4.37Å; F521-K543 HydrophobicContact CE1-CB 4.23Å; F521-K543 HydrophobicContact CE1-CD 3.46Å; F521-K543 VanDerWaalsContact CE1-CD 3.46Å; F521-K543 HydrophobicContact CE1-CG 4.49Å; F521-K543 HydrophobicContact CG-CD 4.03Å; F521-K543 HydrophobicContact CZ-CD 4.49Å; L522-K543 HydrophobicContact CD2-CD 4.46Å; A539-K543 PolarHBondContact O-N 3.28Å; T540-K543 WeakPolarHBondContact O-CB 3.39Å; T540-K543 PolarHBondContact O-N 3.49Å; K543-L545 VanDerWaalsContact C-N 3.28Å; K543-L545 PolarHBondContact O-N 2.91Å; K543-F546 PolarHBondContact O-N 2.96Å; K543-E547 WeakPolarHBondContact CE-OE1 3.15Å; K543-E547 IonicContact NZ-OE1 2.99Å; K543-E547 PolarHBondContact NZ-OE1 3.38Å; K543-E547 WeakPolarHBondContact O-CG 3.47Å; K543-E547 PolarHBondContact O-N 2.87Å
544	V	95.2	Very high	89.9	Confident	45 Å²	45	50.9 Å²	50.9	27%	0.273	25%	0.254	S	S	.	.	H	α-helix	trans	-58.8	-42.9	-178.9	170.7	0	0	0	0	110.8	T540 Q541 E547 K548	T540-V544 WeakPolarHBondContact O-CG2 3.36Å; T540-V544 PolarHBondContact O-N 3.43Å; Q541-V544 PolarHBondContact O-N 3.08Å; V544-E547 PolarHBondContact O-N 2.98Å; V544-K548 HydrophobicContact CG1-CD 4.12Å; V544-K548 VanDerWaalsContact O-CG 3.31Å; V544-K548 WeakPolarHBondContact O-CG 3.49Å; V544-K548 PolarHBondContact O-N 2.93Å
545	L	95.9	Very high	90.1	Very high	7 Å²	7	52.3 Å²	52.3	4%	0.037	28%	0.275	C	S	.	.	H	α-helix	trans	-65.9	-43.1	179.1	-173.8	55.3	0	0	0	112	L490 V503 Q541 V542 K543 E547 K548 L549 V557 P559 F562	L490-L545 HydrophobicContact CD2-CD1 3.91Å; V503-L545 HydrophobicContact CG1-CD2 3.69Å; V503-L545 HydrophobicContact CG1-CG 4.39Å; V503-L545 HydrophobicContact CG2-CD2 4.47Å; Q541-L545 VanDerWaalsContact O-CB 3.24Å; Q541-L545 WeakPolarHBondContact O-CB 3.28Å; Q541-L545 PolarHBondContact O-N 3Å; V542-L545 PolarHBondContact O-N 2.98Å; K543-L545 VanDerWaalsContact C-N 3.28Å; K543-L545 PolarHBondContact O-N 2.91Å; L545-E547 VanDerWaalsContact C-N 3.34Å; L545-E547 PolarHBondContact O-N 3.16Å; L545-K548 PolarHBondContact O-N 3.44Å; L545-L549 HydrophobicContact CG-CD1 4.48Å; L545-L549 WeakPolarHBondContact O-CG 3.15Å; L545-L549 PolarHBondContact O-N 3.4Å; L545-V557 HydrophobicContact CD1-CG1 3.86Å; L545-P559 HydrophobicContact CD1-CB 4.13Å; L545-P559 HydrophobicContact CD2-CB 3.96Å; L545-F562 HydrophobicContact CD2-CB 4.16Å; L545-F562 HydrophobicContact CD2-CD1 4.11Å; L545-F562 HydrophobicContact CD2-CG 4.05Å
546	F	95.4	Very high	90.4	Very high	5 Å²	5	48.8 Å²	48.8	2%	0.022	25%	0.253	C	S	.	.	H	α-helix	trans	-65.9	-36.4	177.9	-80.9	22.1	0	0	0	112.2	V503 L506 Y507 L512 F516 T517 V542 K543 S550	V503-F546 HydrophobicContact CG1-CE1 4.33Å; L506-F546 HydrophobicContact CB-CZ 4.08Å; Y507-F546 HydrophobicContact CD2-CB 4.2Å; Y507-F546 AromaticContact CD2-CD1 3.99Å; Y507-F546 HydrophobicContact CD2-CD1 3.99Å; Y507-F546 HydrophobicContact CD2-CD2 4.17Å; Y507-F546 HydrophobicContact CD2-CE1 4.41Å; Y507-F546 AromaticContact CD2-CG 3.86Å; Y507-F546 HydrophobicContact CD2-CG 3.86Å; L512-F546 HydrophobicContact CB-CE2 4.43Å; F516-F546 HydrophobicContact CB-CD2 3.8Å; F516-F546 HydrophobicContact CB-CE2 4.47Å; F516-F546 HydrophobicContact CB-CG 4.47Å; F516-F546 HydrophobicContact CD2-CD2 4.11Å; F516-F546 AromaticContact CD2-CE2 3.93Å; F516-F546 HydrophobicContact CD2-CE2 3.93Å; F516-F546 HydrophobicContact CG-CD2 4.29Å; T517-F546 HydrophobicContact CG2-CB 3.95Å; V542-F546 HydrophobicContact CG1-CD1 4.15Å; V542-F546 HydrophobicContact CG1-CD2 4.4Å; V542-F546 HydrophobicContact CG1-CE1 3.94Å; V542-F546 HydrophobicContact CG1-CE2 4.21Å; V542-F546 HydrophobicContact CG1-CG 4.38Å; V542-F546 HydrophobicContact CG1-CZ 3.97Å; V542-F546 WeakPolarHBondContact O-CB 3.28Å; V542-F546 WeakPolarHBondContact O-CD1 3.41Å; V542-F546 WeakPolarHBondContact O-CG 3.34Å; V542-F546 PolarHBondContact O-N 3.34Å; K543-F546 PolarHBondContact O-N 2.96Å; F546-S550 WeakPolarHBondContact O-CB 3.34Å; F546-S550 PolarHBondContact O-N 2.89Å; F546-S550 PolarHBondContact O-OG 3Å
547	E	93.5	Very high	90.6	Very high	74 Å²	74	49.6 Å²	49.6	35%	0.346	26%	0.257	S	S	.	.	H	α-helix	trans	-65.3	-46.7	172.1	-73.4	177	165.4	0	0	111.3	T517 K543 V544 L545 L549 S550 T551	T517-E547 HydrophobicContact CG2-CG 4.48Å; K543-E547 WeakPolarHBondContact CE-OE1 3.15Å; K543-E547 IonicContact NZ-OE1 2.99Å; K543-E547 PolarHBondContact NZ-OE1 3.38Å; K543-E547 WeakPolarHBondContact O-CG 3.47Å; K543-E547 PolarHBondContact O-N 2.87Å; V544-E547 PolarHBondContact O-N 2.98Å; L545-E547 VanDerWaalsContact C-N 3.34Å; L545-E547 PolarHBondContact O-N 3.16Å; E547-L549 VanDerWaalsContact C-N 3.32Å; E547-L549 PolarHBondContact O-N 3.3Å; E547-S550 WeakPolarHBondContact O-CA 3.06Å; E547-S550 WeakPolarHBondContact O-CB 3.22Å; E547-S550 PolarHBondContact O-N 3.41Å; E547-T551 VanDerWaalsContact O-CG2 3.31Å; E547-T551 WeakPolarHBondContact O-CG2 3.29Å; E547-T551 PolarHBondContact O-N 3.18Å
548	K	92.8	Very high	90.7	Very high	76 Å²	76	46.4 Å²	46.4	33%	0.33	25%	0.25	S	S	.	.	H	α-helix	trans	-54.7	-47.6	175	-73.5	171.7	-179.1	173.5	0	110.8	V544 L545 S550 T551 V557 D561	V544-K548 HydrophobicContact CG1-CD 4.12Å; V544-K548 VanDerWaalsContact O-CG 3.31Å; V544-K548 WeakPolarHBondContact O-CG 3.49Å; V544-K548 PolarHBondContact O-N 2.93Å; L545-K548 PolarHBondContact O-N 3.44Å; K548-S550 VanDerWaalsContact C-N 3.31Å; K548-S550 PolarHBondContact O-N 3.02Å; K548-T551 PolarHBondContact O-N 2.96Å; K548-T551 PolarHBondContact O-OG1 3.24Å; K548-V557 HydrophobicContact CB-CG1 3.92Å; K548-V557 HydrophobicContact CB-CG2 4.15Å; K548-V557 HydrophobicContact CD-CG1 3.94Å; K548-V557 HydrophobicContact CG-CG1 4.5Å; K548-D561 IonicContact NZ-OD2 3.06Å; K548-D561 PolarHBondContact NZ-OD2 3.37Å
549	L	92.2	Very high	90.7	Very high	2 Å²	2	46.2 Å²	46.2	1%	0.01	25%	0.25	C	C	.	.	H	α-helix	trans	-62.9	-32.6	175.3	-70.3	172.4	0	0	0	113.4	T488 L490 Y507 L545 E547 V557	T488-L549 HydrophobicContact CG2-CD2 3.77Å; L490-L549 HydrophobicContact CD2-CD1 4.44Å; L490-L549 HydrophobicContact CD2-CD2 3.95Å; L490-L549 HydrophobicContact CD2-CG 4.49Å; L490-L549 HydrophobicContact CG-CD2 4.44Å; Y507-L549 HydrophobicContact CD1-CB 4.43Å; Y507-L549 HydrophobicContact CD1-CD1 4.08Å; Y507-L549 HydrophobicContact CD2-CB 4.08Å; Y507-L549 HydrophobicContact CD2-CD1 3.94Å; Y507-L549 HydrophobicContact CE1-CB 4.08Å; Y507-L549 HydrophobicContact CE2-CB 3.7Å; Y507-L549 HydrophobicContact CE2-CD1 4.42Å; Y507-L549 HydrophobicContact CG-CB 4.43Å; Y507-L549 HydrophobicContact CG-CD1 3.75Å; Y507-L549 PolarHBondContact OH-O 3.39Å; L545-L549 HydrophobicContact CG-CD1 4.48Å; L545-L549 WeakPolarHBondContact O-CG 3.15Å; L545-L549 PolarHBondContact O-N 3.4Å; E547-L549 VanDerWaalsContact C-N 3.32Å; E547-L549 PolarHBondContact O-N 3.3Å; L549-V557 HydrophobicContact CD2-CG2 4.46Å
550	S	89.2	Confident	90.6	Very high	42 Å²	42	50.2 Å²	50.2	29%	0.294	27%	0.27	S	S	.	.	H	α-helix	trans	-77.6	-27.4	179.5	-60.3	0	0	0	0	113.5	Y507 F546 E547 K548 K552	Y507-S550 WeakPolarHBondContact OH-CA 3.38Å; Y507-S550 PolarHBondContact OH-OG 2.79Å; F546-S550 WeakPolarHBondContact O-CB 3.34Å; F546-S550 PolarHBondContact O-N 2.89Å; F546-S550 PolarHBondContact O-OG 3Å; E547-S550 WeakPolarHBondContact O-CA 3.06Å; E547-S550 WeakPolarHBondContact O-CB 3.22Å; E547-S550 PolarHBondContact O-N 3.41Å; K548-S550 VanDerWaalsContact C-N 3.31Å; K548-S550 PolarHBondContact O-N 3.02Å; S550-K552 PolarHBondContact O-N 2.83Å
551	T	82.8	Confident	90.6	Very high	67 Å²	67	51.5 Å²	51.5	41%	0.411	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-17.5	-176.9	60.8	0	0	0	0	114	E547 K548 R553	E547-T551 VanDerWaalsContact O-CG2 3.31Å; E547-T551 WeakPolarHBondContact O-CG2 3.29Å; E547-T551 PolarHBondContact O-N 3.18Å; K548-T551 PolarHBondContact O-N 2.96Å; K548-T551 PolarHBondContact O-OG1 3.24Å; T551-R553 PolarHBondContact O-N 3.35Å
552	K	71.2	Confident	90.5	Very high	86 Å²	86	49.3 Å²	49.3	37%	0.374	27%	0.265	S	S	.	.			trans	52.4	27.8	177	-65.4	179.9	-176.9	-179.3	0	113.6	A486 S550 Y790	A486-K552 HydrophobicContact CB-CB 4.03Å; S550-K552 PolarHBondContact O-N 2.83Å; K552-Y790 PolarHBondContact NZ-OH 2.83Å
553	R	75.6	Confident	90.4	Very high	208 Å²	208	49.4 Å²	49.4	79%	0.785	27%	0.265	S	S	*	.			trans	-87.1	-27.8	-178	-70.2	-177.7	-177.2	178.8	1.1	113.3	T551	T551-R553 PolarHBondContact O-N 3.35Å
554	S	79.3	Confident	90.2	Very high	65 Å²	65	53.5 Å²	53.5	46%	0.455	28%	0.284	S	S	.	.	S	Bend	trans	-123.4	153	-175	-56.3	0	0	0	0	110.1	T488 A556	T488-S554 WeakPolarHBondContact CG2-O 3.3Å; T488-S554 PolarHBondContact OG1-O 3.03Å; S554-A556 VanDerWaalsContact C-N 3.32Å; S554-A556 WeakPolarHBondContact CB-O 3.36Å
555	S	85.9	Confident	90	Very high	98 Å²	98	51.8 Å²	51.8	69%	0.685	28%	0.275	S	S	*	.	S	Bend	trans	-72.9	-26.4	171.6	54	0	0	0	0	112.5	T488 G489	T488-S555 CarbonylContact C-O 3.58Å; T488-S555 WeakPolarHBondContact CA-O 3.42Å; G489-S555 PolarHBondContact N-O 3.12Å
556	A	91.4	Very high	89.9	Confident	22 Å²	22	51.5 Å²	51.5	18%	0.182	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	154.3	175.7	0	0	0	0	0	111.5	G489 V491 S554 E802	G489-A556 CarbonylContact O-C 3.59Å; G489-A556 VanDerWaalsContact O-CA 3.23Å; G489-A556 WeakPolarHBondContact O-CA 3.03Å; V491-A556 HydrophobicContact CG2-CB 3.98Å; S554-A556 VanDerWaalsContact C-N 3.32Å; S554-A556 WeakPolarHBondContact CB-O 3.36Å; A556-E802 HydrophobicContact CB-CB 3.89Å; A556-E802 HydrophobicContact CB-CG 3.96Å
557	V	94.2	Very high	89.6	Confident	17 Å²	17	53.4 Å²	53.4	10%	0.103	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	132	177.3	174.5	0	0	0	0	109.4	T488 G489 L490 V491 L545 K548 L549 P559	T488-V557 HydrophobicContact CG2-CG2 3.73Å; G489-V557 PolarHBondContact O-N 2.89Å; L490-V557 CarbonylContact C-O 3.34Å; L490-V557 VanDerWaalsContact CA-O 3.29Å; L490-V557 WeakPolarHBondContact CA-O 3.26Å; L490-V557 HydrophobicContact CD2-CB 4.32Å; V491-V557 PolarHBondContact N-O 3.38Å; L545-V557 HydrophobicContact CD1-CG1 3.86Å; K548-V557 HydrophobicContact CB-CG1 3.92Å; K548-V557 HydrophobicContact CB-CG2 4.15Å; K548-V557 HydrophobicContact CD-CG1 3.94Å; K548-V557 HydrophobicContact CG-CG1 4.5Å; L549-V557 HydrophobicContact CD2-CG2 4.46Å; V557-P559 WeakPolarHBondContact O-CD 3.37Å
558	A	94.6	Very high	89.2	Confident	37 Å²	37	56.2 Å²	56.2	31%	0.306	30%	0.296	S	S	.	.			trans	-84.2	118.2	174.5	0	0	0	0	0	110.7	V491 L493 I560	V491-A558 HydrophobicContact CB-CB 3.97Å; V491-A558 HydrophobicContact CG2-CB 4.06Å; L493-A558 HydrophobicContact CD2-CB 4.19Å; A558-I560 HydrophobicContact CB-CD1 4.1Å; A558-I560 HydrophobicContact CB-CG1 4.05Å; A558-I560 PolarHBondContact O-N 3.01Å
559	P	94.7	Very high	88.6	Confident	3 Å²	3	54.9 Å²	54.9	2%	0.019	30%	0.304	C	S	.	.			trans	-84.7	47.4	-176.9	36	-36.4	0	0	0	112.5	V491 L493 L499 L545 V557 F562 K563	V491-P559 WeakPolarHBondContact O-CD 3.35Å; L493-P559 HydrophobicContact CD1-CG 4.12Å; L493-P559 HydrophobicContact CG-CG 4.48Å; L499-P559 HydrophobicContact CD2-CG 4.24Å; L545-P559 HydrophobicContact CD1-CB 4.13Å; L545-P559 HydrophobicContact CD2-CB 3.96Å; V557-P559 WeakPolarHBondContact O-CD 3.37Å; P559-F562 HydrophobicContact CB-CB 4.31Å; P559-F562 HydrophobicContact CB-CD1 4.49Å; P559-F562 PolarHBondContact O-N 3.23Å; P559-K563 WeakPolarHBondContact O-CB 3.33Å; P559-K563 PolarHBondContact O-N 2.82Å
560	I	94	Very high	88	Confident	84 Å²	84	55.1 Å²	55.1	43%	0.431	31%	0.305	S	S	.	.	H	α-helix	trans	-63.2	-57.4	-173.7	-60.3	168.4	0	0	0	110.8	L493 A558 F562 K563 E564	L493-I560 HydrophobicContact CD1-CG1 4.03Å; L493-I560 HydrophobicContact CD2-CG1 3.94Å; A558-I560 HydrophobicContact CB-CD1 4.1Å; A558-I560 HydrophobicContact CB-CG1 4.05Å; A558-I560 PolarHBondContact O-N 3.01Å; I560-F562 PolarHBondContact O-N 2.93Å; I560-F562 VanDerWaalsContact O-N 3.14Å; I560-K563 PolarHBondContact O-N 2.86Å; I560-E564 PolarHBondContact O-N 2.94Å
561	D	94.8	Very high	87.3	Confident	67 Å²	67	55.5 Å²	55.5	36%	0.358	31%	0.306	S	S	.	.	H	α-helix	trans	-56.7	-34.4	179.9	-45.5	-48.1	0	0	0	112.1	Q541 K548 A565	Q541-D561 VanDerWaalsContact OE1-CB 3.22Å; K548-D561 IonicContact NZ-OD2 3.06Å; K548-D561 PolarHBondContact NZ-OD2 3.37Å; D561-A565 PolarHBondContact O-N 3.16Å; D561-A565 VanDerWaalsContact O-N 3.16Å
562	F	96	Very high	86.9	Confident	3 Å²	3	54.2 Å²	54.2	1%	0.013	30%	0.295	C	S	.	.	H	α-helix	trans	-71.5	-45.9	176.8	177.8	-106.6	0	0	0	111.5	L499 V503 I538 Q541 V542 L545 P559 I560 E564 A565 I566 F584 L588	L499-F562 HydrophobicContact CD1-CD1 4.03Å; L499-F562 HydrophobicContact CD1-CE1 3.83Å; L499-F562 HydrophobicContact CD2-CD1 3.98Å; L499-F562 HydrophobicContact CD2-CE1 3.89Å; L499-F562 HydrophobicContact CG-CD1 4.31Å; L499-F562 HydrophobicContact CG-CE1 3.87Å; V503-F562 HydrophobicContact CG2-CD1 4.4Å; V503-F562 HydrophobicContact CG2-CE1 3.67Å; V503-F562 HydrophobicContact CG2-CZ 4.14Å; I538-F562 HydrophobicContact CG2-CE2 4.26Å; Q541-F562 HydrophobicContact CB-CB 4.18Å; Q541-F562 HydrophobicContact CB-CD2 3.83Å; V542-F562 HydrophobicContact CG2-CD2 4.27Å; V542-F562 HydrophobicContact CG2-CE2 3.6Å; V542-F562 HydrophobicContact CG2-CZ 4.42Å; L545-F562 HydrophobicContact CD2-CB 4.16Å; L545-F562 HydrophobicContact CD2-CD1 4.11Å; L545-F562 HydrophobicContact CD2-CG 4.05Å; P559-F562 HydrophobicContact CB-CB 4.31Å; P559-F562 HydrophobicContact CB-CD1 4.49Å; P559-F562 PolarHBondContact O-N 3.23Å; I560-F562 PolarHBondContact O-N 2.93Å; I560-F562 VanDerWaalsContact O-N 3.14Å; F562-E564 VanDerWaalsContact C-N 3.33Å; F562-E564 PolarHBondContact O-N 2.77Å; F562-A565 PolarHBondContact O-N 3.2Å; F562-I566 HydrophobicContact CD1-CG1 4.42Å; F562-I566 HydrophobicContact CE1-CD1 4.45Å; F562-I566 HydrophobicContact CE1-CG1 4.08Å; F562-I566 HydrophobicContact CE2-CD1 4.07Å; F562-I566 HydrophobicContact CE2-CG1 4.21Å; F562-I566 HydrophobicContact CZ-CD1 3.87Å; F562-I566 HydrophobicContact CZ-CG1 3.96Å; F562-I566 VanDerWaalsContact O-CG1 3.27Å; F562-I566 WeakPolarHBondContact O-CG1 3.48Å; F562-I566 PolarHBondContact O-N 3.22Å; F562-F584 HydrophobicContact CE1-CZ 4.03Å; F562-F584 HydrophobicContact CZ-CZ 4.16Å; F562-L588 HydrophobicContact CE2-CD1 4.29Å; F562-L588 HydrophobicContact CZ-CD1 4.05Å; F562-L588 HydrophobicContact CZ-CD2 4.34Å
563	K	93.5	Very high	87.4	Confident	11 Å²	11	50.3 Å²	50.3	5%	0.048	28%	0.278	C	S	.	.	H	α-helix	trans	-59.7	-42.8	175.8	178.1	77.9	-175.8	-162.4	0	111.2	L493 T496 Y498 L499 P559 I560 I566 Q567	L493-K563 HydrophobicContact CD1-CB 4.09Å; L493-K563 HydrophobicContact CD1-CG 4.47Å; T496-K563 HydrophobicContact CG2-CD 4.1Å; Y498-K563 PolarHBondContact OH-NZ 3.09Å; Y498-K563 VanDerWaalsContact OH-NZ 3.16Å; L499-K563 HydrophobicContact CD1-CD 4.08Å; P559-K563 WeakPolarHBondContact O-CB 3.33Å; P559-K563 PolarHBondContact O-N 2.82Å; I560-K563 PolarHBondContact O-N 2.86Å; K563-I566 WeakPolarHBondContact O-CB 3.28Å; K563-I566 PolarHBondContact O-N 3.17Å; K563-Q567 WeakPolarHBondContact O-CG 3.39Å; K563-Q567 PolarHBondContact O-N 3.08Å
564	E	91.8	Very high	87.3	Confident	104 Å²	104	46 Å²	46	49%	0.486	27%	0.267	S	S	.	.	H	α-helix	trans	-60.7	-44.9	176.3	-71.5	-179.8	172.9	0	0	111.7	I560 F562 I566 Q567 E568	I560-E564 PolarHBondContact O-N 2.94Å; F562-E564 VanDerWaalsContact C-N 3.33Å; F562-E564 PolarHBondContact O-N 2.77Å; E564-I566 VanDerWaalsContact C-N 3.31Å; E564-I566 PolarHBondContact O-N 3.25Å; E564-Q567 WeakPolarHBondContact O-CB 2.94Å; E564-Q567 PolarHBondContact O-N 3.25Å; E564-E568 PolarHBondContact O-N 3.22Å
565	A	92.2	Very high	87.1	Confident	10 Å²	10	45.3 Å²	45.3	8%	0.083	26%	0.258	C	S	.	.	H	α-helix	trans	-63.3	-35.4	176.4	0	0	0	0	0	113.2	I538 Q541 D561 F562 G569	I538-A565 HydrophobicContact CG1-CB 4.27Å; Q541-A565 HydrophobicContact CB-CB 4.44Å; Q541-A565 HydrophobicContact CG-CB 3.75Å; D561-A565 PolarHBondContact O-N 3.16Å; D561-A565 VanDerWaalsContact O-N 3.16Å; F562-A565 PolarHBondContact O-N 3.2Å; A565-G569 PolarHBondContact O-N 2.76Å
566	I	92.5	Very high	86.7	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-66.4	-41.5	174.2	-66.3	-64.7	0	0	0	111	I538 F562 K563 E564 G569 S570 F573 F584 F587 L588	I538-I566 HydrophobicContact CD1-CD1 4.31Å; I538-I566 HydrophobicContact CG1-CD1 4.42Å; I538-I566 HydrophobicContact CG2-CD1 3.98Å; F562-I566 HydrophobicContact CD1-CG1 4.42Å; F562-I566 HydrophobicContact CE1-CD1 4.45Å; F562-I566 HydrophobicContact CE1-CG1 4.08Å; F562-I566 HydrophobicContact CE2-CD1 4.07Å; F562-I566 HydrophobicContact CE2-CG1 4.21Å; F562-I566 HydrophobicContact CZ-CD1 3.87Å; F562-I566 HydrophobicContact CZ-CG1 3.96Å; F562-I566 VanDerWaalsContact O-CG1 3.27Å; F562-I566 WeakPolarHBondContact O-CG1 3.48Å; F562-I566 PolarHBondContact O-N 3.22Å; K563-I566 WeakPolarHBondContact O-CB 3.28Å; K563-I566 PolarHBondContact O-N 3.17Å; E564-I566 VanDerWaalsContact C-N 3.31Å; E564-I566 PolarHBondContact O-N 3.25Å; I566-G569 PolarHBondContact O-N 3.39Å; I566-S570 PolarHBondContact O-N 2.99Å; I566-S570 VanDerWaalsContact O-N 3.14Å; I566-F573 HydrophobicContact CG2-CB 3.75Å; I566-F573 HydrophobicContact CG2-CD2 3.84Å; I566-F573 HydrophobicContact CG2-CG 3.79Å; I566-F584 HydrophobicContact CD1-CE2 4.01Å; I566-F584 HydrophobicContact CD1-CZ 4.37Å; I566-F584 HydrophobicContact CG1-CE2 4.19Å; I566-F584 HydrophobicContact CG2-CE2 3.93Å; I566-F587 HydrophobicContact CD1-CD1 4.44Å; I566-F587 HydrophobicContact CD1-CE1 3.7Å; I566-F587 HydrophobicContact CG2-CE1 3.89Å; I566-L588 HydrophobicContact CD1-CD1 4.08Å
567	Q	88.9	Confident	86.2	Confident	45 Å²	45	52.2 Å²	52.2	21%	0.21	27%	0.272	C	S	.	.	H	α-helix	trans	-64.7	-40.9	176.9	-76.2	176.1	-38.9	0	0	112.3	K563 E564 G569 F573 E574	K563-Q567 WeakPolarHBondContact O-CG 3.39Å; K563-Q567 PolarHBondContact O-N 3.08Å; E564-Q567 WeakPolarHBondContact O-CB 2.94Å; E564-Q567 PolarHBondContact O-N 3.25Å; Q567-G569 VanDerWaalsContact C-N 3.31Å; Q567-G569 PolarHBondContact O-N 3.25Å; Q567-F573 WeakPolarHBondContact CG-O 3.33Å; Q567-F573 PolarHBondContact NE2-O 3.19Å; Q567-E574 PolarHBondContact NE2-O 3.31Å
568	E	85.3	Confident	85.6	Confident	134 Å²	134	55 Å²	55	63%	0.626	28%	0.284	S	S	*	.	H	α-helix	trans	-64.9	-35.3	172.8	-72.4	-174.9	-171.2	0	0	112.5	K537 E564	K537-E568 IonicContact NZ-OE2 2.87Å; K537-E568 PolarHBondContact NZ-OE2 3.35Å; E564-E568 PolarHBondContact O-N 3.22Å
569	G	79.9	Confident	85.3	Confident	48 Å²	48	55 Å²	55	50%	0.495	28%	0.277	S	S	.	.	H	α-helix	trans	-76.4	-23.8	-176.7	0	0	0	0	0	114.4	A565 I566 Q567	A565-G569 PolarHBondContact O-N 2.76Å; I566-G569 PolarHBondContact O-N 3.39Å; Q567-G569 VanDerWaalsContact C-N 3.31Å; Q567-G569 PolarHBondContact O-N 3.25Å
570	S	80.3	Confident	85.1	Confident	7 Å²	7	56.6 Å²	56.6	5%	0.049	29%	0.286	C	S	.	.			trans	-156	129.9	179.9	172.2	0	0	0	0	113	I566 F572 F573	I566-S570 PolarHBondContact O-N 2.99Å; I566-S570 VanDerWaalsContact O-N 3.14Å; S570-F572 PolarHBondContact O-N 3.26Å; S570-F572 VanDerWaalsContact O-N 3.08Å; S570-F572 WeakPolarHBondContact OG-CB 3.39Å; S570-F572 PolarHBondContact OG-N 2.99Å; S570-F573 PolarHBondContact O-N 3.07Å; S570-F573 VanDerWaalsContact O-N 3.14Å
571	T	75	Confident	85.1	Confident	50 Å²	50	52.6 Å²	52.6	31%	0.307	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-15.2	176.9	67.5	0	0	0	0	113.2	F573 E574	T571-F573 VanDerWaalsContact C-N 3.28Å; T571-F573 PolarHBondContact O-N 2.83Å; T571-E574 WeakPolarHBondContact CA-OE1 3.13Å; T571-E574 WeakPolarHBondContact CB-OE1 3.36Å; T571-E574 WeakPolarHBondContact CG2-OE1 3.39Å
572	F	74.3	Confident	85.1	Confident	40 Å²	40	50.8 Å²	50.8	18%	0.175	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-24.5	176.4	-78.5	-80.7	0	0	0	113.4	H232 V236 S570 Q579	H232-F572 AromaticContact CD2-CD2 3.88Å; H232-F572 AromaticContact CD2-CE2 3.88Å; H232-F572 AromaticContact CE1-CE2 3.86Å; H232-F572 AromaticContact NE2-CD2 3.32Å; H232-F572 VanDerWaalsContact NE2-CD2 3.32Å; H232-F572 WeakPolarHBondContact NE2-CD2 3.42Å; H232-F572 AromaticContact NE2-CE2 3.14Å; H232-F572 WeakPolarHBondContact NE2-CE2 3.48Å; V236-F572 HydrophobicContact CG2-CE2 3.92Å; V236-F572 HydrophobicContact CG2-CZ 3.84Å; S570-F572 PolarHBondContact O-N 3.26Å; S570-F572 VanDerWaalsContact O-N 3.08Å; S570-F572 WeakPolarHBondContact OG-CB 3.39Å; S570-F572 PolarHBondContact OG-N 2.99Å; F572-Q579 PolarHBondContact O-NE2 3.45Å
573	F	80.6	Confident	84.9	Confident	4 Å²	4	53.7 Å²	53.7	2%	0.018	27%	0.268	C	S	.	.	S	Bend	trans	-106.9	2.6	-179.5	-58.8	-72.6	0	0	0	113.2	Y498 I566 Q567 S570 T571 D575 Q579 F584 F587	Y498-F573 HydrophobicContact CE2-CD1 4.18Å; Y498-F573 HydrophobicContact CE2-CE1 4.11Å; I566-F573 HydrophobicContact CG2-CB 3.75Å; I566-F573 HydrophobicContact CG2-CD2 3.84Å; I566-F573 HydrophobicContact CG2-CG 3.79Å; Q567-F573 WeakPolarHBondContact CG-O 3.33Å; Q567-F573 PolarHBondContact NE2-O 3.19Å; S570-F573 PolarHBondContact O-N 3.07Å; S570-F573 VanDerWaalsContact O-N 3.14Å; T571-F573 VanDerWaalsContact C-N 3.28Å; T571-F573 PolarHBondContact O-N 2.83Å; F573-D575 PolarHBondContact O-N 3Å; F573-Q579 HydrophobicContact CD1-CG 4.01Å; F573-Q579 HydrophobicContact CE1-CB 4.24Å; F573-Q579 HydrophobicContact CE1-CG 4.18Å; F573-F584 HydrophobicContact CD1-CD2 4.33Å; F573-F584 HydrophobicContact CE1-CB 4.05Å; F573-F584 AromaticContact CE1-CD2 3.82Å; F573-F584 HydrophobicContact CE1-CD2 3.82Å; F573-F584 HydrophobicContact CE1-CG 4.4Å; F573-F584 HydrophobicContact CE2-CD2 4.41Å; F573-F584 HydrophobicContact CZ-CB 4.18Å; F573-F584 AromaticContact CZ-CD2 3.88Å; F573-F584 HydrophobicContact CZ-CD2 3.88Å; F573-F587 AromaticContact CD2-CD1 3.92Å; F573-F587 HydrophobicContact CD2-CD1 3.92Å; F573-F587 HydrophobicContact CD2-CE1 4.02Å; F573-F587 HydrophobicContact CD2-CG 4.27Å; F573-F587 HydrophobicContact CD2-CZ 4.44Å; F573-F587 HydrophobicContact CE2-CB 3.78Å; F573-F587 AromaticContact CE2-CD1 3.36Å; F573-F587 HydrophobicContact CE2-CD1 3.36Å; F573-F587 HydrophobicContact CE2-CD2 4.02Å; F573-F587 AromaticContact CE2-CE1 3.93Å; F573-F587 HydrophobicContact CE2-CE1 3.93Å; F573-F587 AromaticContact CE2-CG 3.41Å; F573-F587 HydrophobicContact CE2-CG 3.41Å; F573-F587 VanDerWaalsContact CE2-CG 3.41Å; F573-F587 HydrophobicContact CE2-CZ 4.46Å; F573-F587 HydrophobicContact CZ-CB 4.06Å; F573-F587 HydrophobicContact CZ-CD1 4.12Å; F573-F587 HydrophobicContact CZ-CG 4.16Å
574	E	74.8	Confident	85	Confident	118 Å²	118	53.2 Å²	53.2	55%	0.551	27%	0.266	S	S	*	.	S	Bend	trans	-56.3	-31.4	-179.3	-87.9	174.8	-159.9	0	0	112.9	Q567 T571	Q567-E574 PolarHBondContact NE2-O 3.31Å; T571-E574 WeakPolarHBondContact CA-OE1 3.13Å; T571-E574 WeakPolarHBondContact CB-OE1 3.36Å; T571-E574 WeakPolarHBondContact CG2-OE1 3.39Å
575	D	74.4	Confident	85.2	Confident	49 Å²	49	48.4 Å²	48.4	26%	0.262	24%	0.244	S	C	.	.	S	Bend	trans	-92.9	162.1	-179.6	67.6	15.8	0	0	0	113.8	F573 R577 Q579	F573-D575 PolarHBondContact O-N 3Å; D575-R577 HydrophobicContact CB-CG 4.25Å; D575-R577 PolarHBondContact O-N 3.48Å; D575-R577 WeakPolarHBondContact OD1-CB 3.34Å; D575-R577 PolarHBondContact OD1-N 3.25Å; D575-R577 WeakPolarHBondContact OD2-CD 3.25Å; D575-R577 VanDerWaalsContact OD2-CG 3.29Å; D575-R577 WeakPolarHBondContact OD2-CG 3.27Å; D575-R577 IonicContact OD2-CZ 3.86Å; D575-R577 IonicContact OD2-NE 3.68Å; D575-R577 PolarHBondContact OD2-NE 3.41Å; D575-R577 IonicContact OD2-NH2 3.57Å; D575-Q579 PolarHBondContact OD1-NE2 3.25Å
576	D	78.1	Confident	85.2	Confident	105 Å²	105	50.6 Å²	50.6	56%	0.561	25%	0.254	S	S	*	.	S	Bend	trans	-87.7	29.4	176.8	-61.4	-44.5	0	0	0	112.1	N495	N495-D576 PolarHBondContact ND2-O 2.68Å
577	R	79.6	Confident	85.3	Confident	160 Å²	160	52 Å²	52	60%	0.604	26%	0.26	S	S	*	.	S	Bend	trans	-81.3	163.1	177.8	-63.9	-174.1	-159.3	175.4	8.6	111.4	D575	D575-R577 HydrophobicContact CB-CG 4.25Å; D575-R577 PolarHBondContact O-N 3.48Å; D575-R577 WeakPolarHBondContact OD1-CB 3.34Å; D575-R577 PolarHBondContact OD1-N 3.25Å; D575-R577 WeakPolarHBondContact OD2-CD 3.25Å; D575-R577 VanDerWaalsContact OD2-CG 3.29Å; D575-R577 WeakPolarHBondContact OD2-CG 3.27Å; D575-R577 IonicContact OD2-CZ 3.86Å; D575-R577 IonicContact OD2-NE 3.68Å; D575-R577 PolarHBondContact OD2-NE 3.41Å; D575-R577 IonicContact OD2-NH2 3.57Å
578	Q	81.3	Confident	85.7	Confident	76 Å²	76	50 Å²	50	36%	0.355	25%	0.25	S	S	.	.			trans	-67.8	139.1	169.9	-64.6	178.2	-4.4	0	0	109.6	N495	N495-Q578 HydrophobicContact CB-CG 4.03Å
579	Q	88.3	Confident	86.2	Confident	36 Å²	36	43.7 Å²	43.7	17%	0.168	22%	0.221	C	C	.	.			trans	-131	156.8	-178.1	-59.4	-70.7	-7	0	0	109.9	Y498 F572 F573 D575	Y498-Q579 VanDerWaalsContact CB-O 3.29Å; Y498-Q579 WeakPolarHBondContact CB-O 3.22Å; Y498-Q579 HydrophobicContact CD1-CB 3.85Å; Y498-Q579 HydrophobicContact CD1-CG 4.5Å; Y498-Q579 HydrophobicContact CD2-CB 3.89Å; Y498-Q579 HydrophobicContact CE1-CB 3.73Å; Y498-Q579 HydrophobicContact CE1-CG 3.91Å; Y498-Q579 HydrophobicContact CE2-CB 3.78Å; Y498-Q579 HydrophobicContact CE2-CG 4.28Å; Y498-Q579 HydrophobicContact CG-CB 3.95Å; F572-Q579 PolarHBondContact O-NE2 3.45Å; F573-Q579 HydrophobicContact CD1-CG 4.01Å; F573-Q579 HydrophobicContact CE1-CB 4.24Å; F573-Q579 HydrophobicContact CE1-CG 4.18Å; D575-Q579 PolarHBondContact OD1-NE2 3.25Å
580	D	90.7	Very high	86.7	Confident	37 Å²	37	43.2 Å²	43.2	20%	0.198	21%	0.207	C	C	.	.			trans	-78.4	129	176.9	-169	-70.9	0	0	0	111	Q582 E583 F584 Y784 Y818	D580-Q582 PolarHBondContact O-N 3.25Å; D580-Q582 WeakPolarHBondContact OD1-CA 3.32Å; D580-Q582 WeakPolarHBondContact OD1-CB 3.3Å; D580-Q582 PolarHBondContact OD1-N 3.21Å; D580-E583 HydrophobicContact CB-CB 4.05Å; D580-E583 PolarHBondContact O-N 3.12Å; D580-E583 PolarHBondContact OD1-N 3.33Å; D580-F584 PolarHBondContact O-N 2.76Å; D580-Y784 PolarHBondContact OD2-OH 3.45Å; D580-Y818 PolarHBondContact OD1-OH 3.35Å; D580-Y818 PolarHBondContact OD2-OH 3.25Å
581	A	94.4	Very high	87.3	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-62.8	-31.2	-179	0	0	0	0	0	112.8	V502 L585 I773 Y784 Y818 L819	V502-A581 HydrophobicContact CG2-CB 4.16Å; A581-L585 VanDerWaalsContact O-CB 3.28Å; A581-L585 WeakPolarHBondContact O-CB 3.26Å; A581-L585 PolarHBondContact O-N 3.37Å; A581-I773 HydrophobicContact CB-CG2 4.42Å; A581-Y784 HydrophobicContact CB-CD1 3.7Å; A581-Y784 HydrophobicContact CB-CD2 4.46Å; A581-Y784 HydrophobicContact CB-CE1 3.56Å; A581-Y784 HydrophobicContact CB-CE2 4.35Å; A581-Y784 HydrophobicContact CB-CG 4.15Å; A581-Y818 HydrophobicContact CB-CE1 4.39Å; A581-L819 HydrophobicContact CB-CD1 4.37Å
582	Q	94.3	Very high	88.2	Confident	30 Å²	30	41.3 Å²	41.3	14%	0.14	20%	0.196	C	C	.	.	H	α-helix	trans	-71.6	-41	177.3	-169.3	-87.1	-77.8	0	0	111.3	D580 L585 I586 N665 H724 Y818 L819	D580-Q582 PolarHBondContact O-N 3.25Å; D580-Q582 WeakPolarHBondContact OD1-CA 3.32Å; D580-Q582 WeakPolarHBondContact OD1-CB 3.3Å; D580-Q582 PolarHBondContact OD1-N 3.21Å; Q582-L585 PolarHBondContact O-N 2.9Å; Q582-I586 VanDerWaalsContact NE2-CG1 3.29Å; Q582-I586 PolarHBondContact O-N 3.07Å; Q582-I586 VanDerWaalsContact O-N 3.08Å; Q582-N665 PolarHBondContact NE2-ND2 3.12Å; Q582-H724 HydrophobicContact CG-CB 4.14Å; Q582-Y818 HydrophobicContact CB-CE1 3.94Å; Q582-Y818 WeakPolarHBondContact CB-OH 3.23Å; Q582-L819 HydrophobicContact CB-CD1 4.27Å; Q582-L819 HydrophobicContact CB-CD2 3.99Å; Q582-L819 HydrophobicContact CG-CD2 3.84Å
583	E	92.1	Very high	89.2	Confident	64 Å²	64	40.5 Å²	40.5	30%	0.299	19%	0.193	S	C	.	.	H	α-helix	trans	-65.5	-45.5	175.2	-175.9	168	-166.4	0	0	110.9	L235 D580 L585 I586 F587	L235-E583 HydrophobicContact CD2-CG 4.3Å; L235-E583 WeakPolarHBondContact CD2-OE1 3.18Å; D580-E583 HydrophobicContact CB-CB 4.05Å; D580-E583 PolarHBondContact O-N 3.12Å; D580-E583 PolarHBondContact OD1-N 3.33Å; E583-L585 VanDerWaalsContact C-N 3.34Å; E583-L585 PolarHBondContact O-N 3.06Å; E583-I586 PolarHBondContact O-N 3.02Å; E583-F587 PolarHBondContact O-N 3.47Å
584	F	95.3	Very high	89.6	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-59.5	-42.5	173.7	176.4	-112.9	0	0	0	112.7	Y498 L499 V502 F562 I566 F573 D580 I586 F587 L588	Y498-F584 HydrophobicContact CD2-CB 3.62Å; Y498-F584 HydrophobicContact CD2-CD1 4.03Å; Y498-F584 HydrophobicContact CD2-CD2 4.38Å; Y498-F584 AromaticContact CD2-CG 3.74Å; Y498-F584 HydrophobicContact CD2-CG 3.74Å; Y498-F584 HydrophobicContact CE2-CB 3.82Å; Y498-F584 HydrophobicContact CE2-CD1 4.21Å; Y498-F584 AromaticContact CE2-CD2 3.83Å; Y498-F584 HydrophobicContact CE2-CD2 3.83Å; Y498-F584 AromaticContact CE2-CG 3.66Å; Y498-F584 HydrophobicContact CE2-CG 3.66Å; L499-F584 HydrophobicContact CB-CD1 4.36Å; L499-F584 HydrophobicContact CB-CE1 3.95Å; L499-F584 HydrophobicContact CB-CZ 4.16Å; L499-F584 HydrophobicContact CD1-CE1 4.48Å; L499-F584 HydrophobicContact CD1-CE2 4.24Å; L499-F584 HydrophobicContact CD1-CZ 3.88Å; L499-F584 HydrophobicContact CG-CE1 3.8Å; L499-F584 HydrophobicContact CG-CE2 4.41Å; L499-F584 HydrophobicContact CG-CZ 3.65Å; V502-F584 HydrophobicContact CB-CD1 3.85Å; V502-F584 HydrophobicContact CB-CE1 3.92Å; V502-F584 HydrophobicContact CG1-CD1 3.91Å; V502-F584 HydrophobicContact CG1-CE1 3.78Å; V502-F584 HydrophobicContact CG2-CD1 3.97Å; F562-F584 HydrophobicContact CE1-CZ 4.03Å; F562-F584 HydrophobicContact CZ-CZ 4.16Å; I566-F584 HydrophobicContact CD1-CE2 4.01Å; I566-F584 HydrophobicContact CD1-CZ 4.37Å; I566-F584 HydrophobicContact CG1-CE2 4.19Å; I566-F584 HydrophobicContact CG2-CE2 3.93Å; F573-F584 HydrophobicContact CD1-CD2 4.33Å; F573-F584 HydrophobicContact CE1-CB 4.05Å; F573-F584 AromaticContact CE1-CD2 3.82Å; F573-F584 HydrophobicContact CE1-CD2 3.82Å; F573-F584 HydrophobicContact CE1-CG 4.4Å; F573-F584 HydrophobicContact CE2-CD2 4.41Å; F573-F584 HydrophobicContact CZ-CB 4.18Å; F573-F584 AromaticContact CZ-CD2 3.88Å; F573-F584 HydrophobicContact CZ-CD2 3.88Å; D580-F584 PolarHBondContact O-N 2.76Å; F584-I586 PolarHBondContact O-N 3.38Å; F584-F587 HydrophobicContact CD2-CD1 4.35Å; F584-F587 HydrophobicContact CE2-CD1 4.42Å; F584-F587 PolarHBondContact O-N 2.8Å; F584-L588 HydrophobicContact CE1-CD2 4.25Å; F584-L588 HydrophobicContact CZ-CD2 4.22Å; F584-L588 WeakPolarHBondContact O-CB 3.42Å; F584-L588 PolarHBondContact O-N 2.95Å
585	L	96.1	Very high	90.4	Very high	4 Å²	4	42.3 Å²	42.3	2%	0.021	20%	0.201	C	C	.	.	H	α-helix	trans	-61.9	-42.9	177.4	-177.6	67.4	0	0	0	112.2	V502 L506 A581 Q582 E583 L588 F589 L722 L819 F821	V502-L585 HydrophobicContact CG1-CB 4.45Å; V502-L585 HydrophobicContact CG1-CD1 3.65Å; V502-L585 HydrophobicContact CG2-CB 4.25Å; L506-L585 HydrophobicContact CD1-CD1 4.42Å; L506-L585 HydrophobicContact CD2-CD1 4.32Å; A581-L585 VanDerWaalsContact O-CB 3.28Å; A581-L585 WeakPolarHBondContact O-CB 3.26Å; A581-L585 PolarHBondContact O-N 3.37Å; Q582-L585 PolarHBondContact O-N 2.9Å; E583-L585 VanDerWaalsContact C-N 3.34Å; E583-L585 PolarHBondContact O-N 3.06Å; L585-L588 PolarHBondContact O-N 3.41Å; L585-F589 HydrophobicContact CD1-CD2 4.05Å; L585-F589 HydrophobicContact CD1-CE1 4.24Å; L585-F589 HydrophobicContact CD1-CE2 3.46Å; L585-F589 VanDerWaalsContact CD1-CE2 3.46Å; L585-F589 HydrophobicContact CD1-CZ 3.6Å; L585-F589 HydrophobicContact CD2-CE2 4.09Å; L585-F589 HydrophobicContact CG-CD2 3.97Å; L585-F589 HydrophobicContact CG-CE2 3.61Å; L585-F589 HydrophobicContact CG-CZ 4.27Å; L585-F589 WeakPolarHBondContact O-CD2 3.15Å; L585-F589 WeakPolarHBondContact O-CG 3.48Å; L585-F589 PolarHBondContact O-N 3.47Å; L585-L722 HydrophobicContact CD2-CD1 4.26Å; L585-L819 HydrophobicContact CD2-CD1 4.25Å; L585-F821 HydrophobicContact CD1-CZ 4.33Å; L585-F821 HydrophobicContact CD2-CE1 4.42Å; L585-F821 HydrophobicContact CD2-CZ 3.88Å
586	I	93.9	Very high	91.1	Very high	56 Å²	56	40.3 Å²	40.3	29%	0.287	19%	0.19	S	C	.	.	H	α-helix	trans	-61.3	-50.5	175.6	-74.3	-174.7	0	0	0	110.1	Q582 E583 F584 L588 F589 D590 M664	Q582-I586 VanDerWaalsContact NE2-CG1 3.29Å; Q582-I586 PolarHBondContact O-N 3.07Å; Q582-I586 VanDerWaalsContact O-N 3.08Å; E583-I586 PolarHBondContact O-N 3.02Å; F584-I586 PolarHBondContact O-N 3.38Å; I586-L588 VanDerWaalsContact C-N 3.32Å; I586-L588 PolarHBondContact O-N 3.35Å; I586-F589 PolarHBondContact O-N 3.18Å; I586-D590 WeakPolarHBondContact CG2-OD2 3.36Å; I586-D590 PolarHBondContact O-N 2.73Å; I586-M664 HydrophobicContact CB-CE 4.3Å; I586-M664 HydrophobicContact CG1-CE 3.86Å; I586-M664 HydrophobicContact CG2-CE 4.45Å
587	F	94.1	Very high	91.8	Very high	30 Å²	30	35.8 Å²	35.8	13%	0.132	17%	0.166	C	C	.	.	H	α-helix	trans	-55.4	-48.7	178.4	164.9	-101.7	0	0	0	111.6	I538 I566 F573 E583 F584 F589 D590 A591	I538-F587 HydrophobicContact CD1-CZ 4.26Å; I566-F587 HydrophobicContact CD1-CD1 4.44Å; I566-F587 HydrophobicContact CD1-CE1 3.7Å; I566-F587 HydrophobicContact CG2-CE1 3.89Å; F573-F587 AromaticContact CD2-CD1 3.92Å; F573-F587 HydrophobicContact CD2-CD1 3.92Å; F573-F587 HydrophobicContact CD2-CE1 4.02Å; F573-F587 HydrophobicContact CD2-CG 4.27Å; F573-F587 HydrophobicContact CD2-CZ 4.44Å; F573-F587 HydrophobicContact CE2-CB 3.78Å; F573-F587 AromaticContact CE2-CD1 3.36Å; F573-F587 HydrophobicContact CE2-CD1 3.36Å; F573-F587 HydrophobicContact CE2-CD2 4.02Å; F573-F587 AromaticContact CE2-CE1 3.93Å; F573-F587 HydrophobicContact CE2-CE1 3.93Å; F573-F587 AromaticContact CE2-CG 3.41Å; F573-F587 HydrophobicContact CE2-CG 3.41Å; F573-F587 VanDerWaalsContact CE2-CG 3.41Å; F573-F587 HydrophobicContact CE2-CZ 4.46Å; F573-F587 HydrophobicContact CZ-CB 4.06Å; F573-F587 HydrophobicContact CZ-CD1 4.12Å; F573-F587 HydrophobicContact CZ-CG 4.16Å; E583-F587 PolarHBondContact O-N 3.47Å; F584-F587 HydrophobicContact CD2-CD1 4.35Å; F584-F587 HydrophobicContact CE2-CD1 4.42Å; F584-F587 PolarHBondContact O-N 2.8Å; F587-F589 VanDerWaalsContact C-N 3.33Å; F587-F589 PolarHBondContact O-N 3.28Å; F587-D590 PolarHBondContact O-N 3.27Å; F587-A591 HydrophobicContact CE2-CB 4.44Å; F587-A591 HydrophobicContact CZ-CB 4.32Å; F587-A591 WeakPolarHBondContact O-CB 3.45Å; F587-A591 PolarHBondContact O-N 3.12Å
588	L	96.1	Very high	92.2	Very high	2 Å²	2	30.1 Å²	30.1	1%	0.01	15%	0.147	C	C	.	.	H	α-helix	trans	-61.7	-42.4	-178	179.2	59.4	0	0	0	111.4	V502 L506 I538 F562 I566 F584 L585 I586 L592	V502-L588 HydrophobicContact CG1-CD2 4.15Å; L506-L588 HydrophobicContact CD1-CD2 3.55Å; I538-L588 HydrophobicContact CG2-CD1 3.78Å; F562-L588 HydrophobicContact CE2-CD1 4.29Å; F562-L588 HydrophobicContact CZ-CD1 4.05Å; F562-L588 HydrophobicContact CZ-CD2 4.34Å; I566-L588 HydrophobicContact CD1-CD1 4.08Å; F584-L588 HydrophobicContact CE1-CD2 4.25Å; F584-L588 HydrophobicContact CZ-CD2 4.22Å; F584-L588 WeakPolarHBondContact O-CB 3.42Å; F584-L588 PolarHBondContact O-N 2.95Å; L585-L588 PolarHBondContact O-N 3.41Å; I586-L588 VanDerWaalsContact C-N 3.32Å; I586-L588 PolarHBondContact O-N 3.35Å; L588-L592 HydrophobicContact CD1-CD1 4.04Å; L588-L592 HydrophobicContact CD1-CG 4.1Å; L588-L592 HydrophobicContact CG-CD1 4.03Å; L588-L592 HydrophobicContact CG-CG 4.48Å; L588-L592 WeakPolarHBondContact O-CB 3.3Å; L588-L592 WeakPolarHBondContact O-CG 3.27Å; L588-L592 PolarHBondContact O-N 3.06Å
589	F	95.5	Very high	92.3	Very high	1 Å²	1	26.6 Å²	26.6	0%	0.004	13%	0.131	C	C	.	.	H	α-helix	trans	-68	-38	176.5	-73.6	-30.9	0	0	0	113.4	L506 L585 I586 F587 H593 I636 F640 M664 L722	L506-F589 HydrophobicContact CD1-CE1 4.28Å; L506-F589 HydrophobicContact CD2-CE1 3.71Å; L506-F589 HydrophobicContact CD2-CZ 3.65Å; L585-F589 HydrophobicContact CD1-CD2 4.05Å; L585-F589 HydrophobicContact CD1-CE1 4.24Å; L585-F589 HydrophobicContact CD1-CE2 3.46Å; L585-F589 VanDerWaalsContact CD1-CE2 3.46Å; L585-F589 HydrophobicContact CD1-CZ 3.6Å; L585-F589 HydrophobicContact CD2-CE2 4.09Å; L585-F589 HydrophobicContact CG-CD2 3.97Å; L585-F589 HydrophobicContact CG-CE2 3.61Å; L585-F589 HydrophobicContact CG-CZ 4.27Å; L585-F589 WeakPolarHBondContact O-CD2 3.15Å; L585-F589 WeakPolarHBondContact O-CG 3.48Å; L585-F589 PolarHBondContact O-N 3.47Å; I586-F589 PolarHBondContact O-N 3.18Å; F587-F589 VanDerWaalsContact C-N 3.33Å; F587-F589 PolarHBondContact O-N 3.28Å; F589-H593 WeakPolarHBondContact O-CB 3.3Å; F589-H593 PolarHBondContact O-N 2.92Å; F589-I636 HydrophobicContact CB-CG2 3.98Å; F589-I636 HydrophobicContact CD1-CD1 3.83Å; F589-I636 HydrophobicContact CD1-CG2 4.43Å; F589-I636 HydrophobicContact CE1-CD1 4.34Å; F589-I636 HydrophobicContact CG-CG2 4.32Å; F589-F640 HydrophobicContact CD1-CD2 4.45Å; F589-F640 HydrophobicContact CE1-CD1 4.43Å; F589-F640 AromaticContact CE1-CD2 3.91Å; F589-F640 HydrophobicContact CE1-CD2 3.91Å; F589-F640 HydrophobicContact CE1-CE1 4.22Å; F589-F640 AromaticContact CE1-CE2 3.7Å; F589-F640 HydrophobicContact CE1-CE2 3.7Å; F589-F640 HydrophobicContact CE1-CG 4.28Å; F589-F640 AromaticContact CE1-CZ 3.87Å; F589-F640 HydrophobicContact CE1-CZ 3.87Å; F589-F640 HydrophobicContact CE2-CD1 4.02Å; F589-F640 HydrophobicContact CE2-CE1 4.29Å; F589-F640 HydrophobicContact CE2-CG 4.17Å; F589-F640 AromaticContact CZ-CD1 3.67Å; F589-F640 HydrophobicContact CZ-CD1 3.67Å; F589-F640 AromaticContact CZ-CD2 3.97Å; F589-F640 HydrophobicContact CZ-CD2 3.97Å; F589-F640 AromaticContact CZ-CE1 3.54Å; F589-F640 HydrophobicContact CZ-CE1 3.54Å; F589-F640 AromaticContact CZ-CE2 3.87Å; F589-F640 HydrophobicContact CZ-CE2 3.87Å; F589-F640 AromaticContact CZ-CG 3.88Å; F589-F640 HydrophobicContact CZ-CG 3.88Å; F589-F640 AromaticContact CZ-CZ 3.66Å; F589-F640 HydrophobicContact CZ-CZ 3.66Å; F589-M664 HydrophobicContact CB-CE 3.97Å; F589-M664 HydrophobicContact CB-SD 3.55Å; F589-M664 VanDerWaalsContact CB-SD 3.55Å; F589-M664 HydrophobicContact CD2-CE 3.72Å; F589-M664 HydrophobicContact CD2-CG 4.26Å; F589-M664 HydrophobicContact CD2-SD 3.45Å; F589-M664 WeakPolarHBondContact CD2-SD 3.34Å; F589-M664 HydrophobicContact CE2-SD 4.42Å; F589-M664 HydrophobicContact CG-CE 4.37Å; F589-M664 HydrophobicContact CG-SD 3.87Å; F589-L722 HydrophobicContact CD2-CD1 4.43Å; F589-L722 HydrophobicContact CE2-CD1 3.46Å; F589-L722 VanDerWaalsContact CE2-CD1 3.46Å; F589-L722 HydrophobicContact CZ-CD1 4.12Å
590	D	91.7	Very high	91.4	Very high	39 Å²	39	26.1 Å²	26.1	21%	0.209	13%	0.132	C	C	.	.	H	α-helix	trans	-65.3	-44.1	175.3	-73	-27.5	0	0	0	111	P231 I586 F587 H593 E594	P231-D590 HydrophobicContact CB-CB 4.2Å; P231-D590 VanDerWaalsContact CB-CG 3.48Å; P231-D590 WeakPolarHBondContact CB-OD2 3.36Å; P231-D590 HydrophobicContact CG-CB 4.42Å; I586-D590 WeakPolarHBondContact CG2-OD2 3.36Å; I586-D590 PolarHBondContact O-N 2.73Å; F587-D590 PolarHBondContact O-N 3.27Å; D590-H593 WeakPolarHBondContact O-CB 3.25Å; D590-H593 PolarHBondContact O-N 3.43Å; D590-E594 WeakPolarHBondContact O-CB 3.42Å; D590-E594 PolarHBondContact O-N 3.02Å
591	A	92.5	Very high	90	Very high	11 Å²	11	28.8 Å²	28.8	9%	0.091	15%	0.149	C	C	.	.	H	α-helix	trans	-61.8	-47.4	176.2	0	0	0	0	0	111.9	I538 F587 H593 E594 E595	I538-A591 HydrophobicContact CD1-CB 3.73Å; F587-A591 HydrophobicContact CE2-CB 4.44Å; F587-A591 HydrophobicContact CZ-CB 4.32Å; F587-A591 WeakPolarHBondContact O-CB 3.45Å; F587-A591 PolarHBondContact O-N 3.12Å; A591-H593 VanDerWaalsContact C-N 3.32Å; A591-H593 PolarHBondContact O-N 2.98Å; A591-E594 PolarHBondContact O-N 3.46Å; A591-E595 WeakPolarHBondContact O-CB 3.43Å; A591-E595 WeakPolarHBondContact O-CG 3.21Å; A591-E595 PolarHBondContact O-N 3.42Å
592	L	94.9	Very high	88.1	Confident	5 Å²	5	35.5 Å²	35.5	3%	0.026	18%	0.181	C	C	.	.	H	α-helix	trans	-64.6	-37.2	175.9	-71.7	174.7	0	0	0	112	F516 I538 A539 V542 L588 M596 I636	F516-L592 HydrophobicContact CZ-CD2 4.34Å; I538-L592 HydrophobicContact CG2-CD2 4.28Å; A539-L592 HydrophobicContact CB-CD2 3.72Å; V542-L592 HydrophobicContact CG2-CD2 4.19Å; L588-L592 HydrophobicContact CD1-CD1 4.04Å; L588-L592 HydrophobicContact CD1-CG 4.1Å; L588-L592 HydrophobicContact CG-CD1 4.03Å; L588-L592 HydrophobicContact CG-CG 4.48Å; L588-L592 WeakPolarHBondContact O-CB 3.3Å; L588-L592 WeakPolarHBondContact O-CG 3.27Å; L588-L592 PolarHBondContact O-N 3.06Å; L592-M596 WeakPolarHBondContact O-CB 3.28Å; L592-M596 VanDerWaalsContact O-CG 3.25Å; L592-M596 WeakPolarHBondContact O-CG 3.34Å; L592-M596 PolarHBondContact O-N 2.86Å; L592-I636 HydrophobicContact CB-CD1 3.94Å; L592-I636 HydrophobicContact CB-CG1 3.83Å; L592-I636 HydrophobicContact CD1-CD1 4.17Å
593	H	93.5	Very high	86.2	Confident	23 Å²	23	36.5 Å²	36.5	11%	0.106	19%	0.189	C	C	.	.	H	α-helix	trans	-62.1	-48.5	175.5	172.7	52.6	0	0	0	111	F589 D590 A591 M596 N597 N632 S634 I636	F589-H593 WeakPolarHBondContact O-CB 3.3Å; F589-H593 PolarHBondContact O-N 2.92Å; D590-H593 WeakPolarHBondContact O-CB 3.25Å; D590-H593 PolarHBondContact O-N 3.43Å; A591-H593 VanDerWaalsContact C-N 3.32Å; A591-H593 PolarHBondContact O-N 2.98Å; H593-M596 PolarHBondContact O-N 3.35Å; H593-N597 VanDerWaalsContact O-CB 3.28Å; H593-N597 WeakPolarHBondContact O-CB 3.2Å; H593-N597 PolarHBondContact O-N 2.91Å; H593-N632 PolarHBondContact NE2-OD1 3.3Å; H593-S634 WeakPolarHBondContact ND1-CB 3.17Å; H593-S634 PolarHBondContact ND1-OG 3.49Å; H593-I636 HydrophobicContact CB-CB 4.13Å; H593-I636 HydrophobicContact CB-CG1 4.29Å; H593-I636 HydrophobicContact CB-CG2 4.31Å
594	E	90.2	Very high	84.3	Confident	126 Å²	126	37.9 Å²	37.9	59%	0.589	20%	0.196	S	C	*	.	H	α-helix	trans	-64.1	-48	179.4	-177.3	167.7	-166.4	0	0	111.9	D590 A591 M596	D590-E594 WeakPolarHBondContact O-CB 3.42Å; D590-E594 PolarHBondContact O-N 3.02Å; A591-E594 PolarHBondContact O-N 3.46Å; E594-M596 VanDerWaalsContact C-N 3.33Å; E594-M596 PolarHBondContact O-N 2.77Å
595	E	91.6	Very high	82.2	Confident	35 Å²	35	48.1 Å²	48.1	16%	0.164	24%	0.235	C	C	.	.	H	α-helix	trans	-64.6	-36.1	179.6	-76.3	-168.8	167.3	0	0	112.5	L528 P536 K537 I538 A539 A591	L528-E595 WeakPolarHBondContact CD1-O 3.44Å; P536-E595 WeakPolarHBondContact CA-OE2 3.46Å; P536-E595 HydrophobicContact CB-CB 3.72Å; P536-E595 HydrophobicContact CB-CG 4.23Å; K537-E595 PolarHBondContact N-OE1 3.18Å; K537-E595 PolarHBondContact N-OE2 3.41Å; I538-E595 WeakPolarHBondContact CA-OE2 3.39Å; I538-E595 WeakPolarHBondContact CB-OE2 3.49Å; I538-E595 PolarHBondContact N-OE1 3.23Å; I538-E595 PolarHBondContact N-OE2 3.22Å; A539-E595 PolarHBondContact N-OE2 2.97Å; A591-E595 WeakPolarHBondContact O-CB 3.43Å; A591-E595 WeakPolarHBondContact O-CG 3.21Å; A591-E595 PolarHBondContact O-N 3.42Å
596	M	89.9	Confident	80	Confident	7 Å²	7	55.5 Å²	55.5	3%	0.034	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.6	12.6	-173.3	-54.7	-61.7	-64.8	0	0	114.4	Y515 F521 D524 L528 P536 A539 L592 H593 E594 L598	Y515-M596 HydrophobicContact CE1-CE 4.27Å; Y515-M596 WeakPolarHBondContact OH-CE 3.45Å; F521-M596 HydrophobicContact CD2-CE 3.66Å; F521-M596 HydrophobicContact CD2-SD 4.45Å; F521-M596 HydrophobicContact CE2-CE 3.63Å; F521-M596 HydrophobicContact CE2-SD 3.85Å; D524-M596 HydrophobicContact CB-CE 4.11Å; L528-M596 HydrophobicContact CD1-CE 3.95Å; L528-M596 HydrophobicContact CD1-SD 3.79Å; P536-M596 HydrophobicContact CB-SD 4.05Å; P536-M596 HydrophobicContact CG-SD 4.46Å; A539-M596 HydrophobicContact CB-CG 3.95Å; A539-M596 HydrophobicContact CB-SD 3.53Å; A539-M596 VanDerWaalsContact CB-SD 3.53Å; L592-M596 WeakPolarHBondContact O-CB 3.28Å; L592-M596 VanDerWaalsContact O-CG 3.25Å; L592-M596 WeakPolarHBondContact O-CG 3.34Å; L592-M596 PolarHBondContact O-N 2.86Å; H593-M596 PolarHBondContact O-N 3.35Å; E594-M596 VanDerWaalsContact C-N 3.33Å; E594-M596 PolarHBondContact O-N 2.77Å; M596-L598 PolarHBondContact O-N 3.18Å
597	N	91.1	Very high	77.7	Confident	9 Å²	9	56 Å²	56	5%	0.048	27%	0.273	C	S	.	.			trans	-76	111.1	177.4	-173.3	1.5	0	0	0	111.5	R534 H593 A599 E631 R633	R534-N597 PolarHBondContact NH1-O 3.29Å; H593-N597 VanDerWaalsContact O-CB 3.28Å; H593-N597 WeakPolarHBondContact O-CB 3.2Å; H593-N597 PolarHBondContact O-N 2.91Å; N597-A599 VanDerWaalsContact C-N 3.33Å; N597-A599 WeakPolarHBondContact OD1-CB 3.3Å; N597-A599 PolarHBondContact OD1-N 3.12Å; N597-E631 PolarHBondContact ND2-O 3.43Å; N597-E631 VanDerWaalsContact ND2-O 3.07Å; N597-R633 CarbonylContact C-O 3.53Å; N597-R633 WeakPolarHBondContact CA-O 3.32Å; N597-R633 PolarHBondContact OD1-N 2.89Å; N597-R633 PolarHBondContact OD1-O 2.93Å
598	L	88.5	Confident	75.3	Confident	41 Å²	41	57.9 Å²	57.9	22%	0.215	30%	0.301	C	S	.	.			trans	-84.4	2.2	178.6	-64.2	172	0	0	0	114.1	D524 V527 L528 Y532 M596 S600 R633	D524-L598 HydrophobicContact CB-CD1 4.45Å; D524-L598 HydrophobicContact CB-CD2 4.45Å; V527-L598 HydrophobicContact CB-CD2 4.27Å; V527-L598 HydrophobicContact CG1-CD2 3.92Å; L528-L598 HydrophobicContact CD1-CD2 4.41Å; L528-L598 HydrophobicContact CD2-CD2 3.95Å; L528-L598 HydrophobicContact CG-CD2 3.85Å; Y532-L598 PolarHBondContact OH-O 3.06Å; M596-L598 PolarHBondContact O-N 3.18Å; L598-S600 PolarHBondContact O-N 3.16Å; L598-R633 HydrophobicContact CB-CB 4.28Å; L598-R633 PolarHBondContact N-O 2.97Å
599	A	83.7	Confident	72.9	Confident	2 Å²	2	62.7 Å²	62.7	2%	0.017	33%	0.334	C	S	.	.			trans	-67.3	129.4	174.3	0	0	0	0	0	110.4	N597 K630 E631 R633	N597-A599 VanDerWaalsContact C-N 3.33Å; N597-A599 WeakPolarHBondContact OD1-CB 3.3Å; N597-A599 PolarHBondContact OD1-N 3.12Å; A599-K630 WeakPolarHBondContact CB-O 3.48Å; A599-E631 WeakPolarHBondContact CB-O 3.28Å; A599-R633 HydrophobicContact CB-CB 4.4Å; A599-R633 HydrophobicContact CB-CG 4.28Å
600	S	68.9	Low	70.5	Confident	27 Å²	27	65.8 Å²	65.8	19%	0.189	36%	0.361	C	S	.	.			trans	-70.6	148.1	177.4	80.6	0	0	0	0	110.9	L598 E602 V603	L598-S600 PolarHBondContact O-N 3.16Å; S600-E602 PolarHBondContact O-N 3.38Å; S600-V603 PolarHBondContact O-N 3.28Å; S600-V603 WeakPolarHBondContact OG-CG2 3.33Å; S600-V603 PolarHBondContact OG-N 2.82Å
601	V	61.6	Low	68.3	Low	92 Å²	92	71.8 Å²	71.8	56%	0.558	39%	0.391	S	S	*	.	H	α-helix	trans	-60.3	-30.7	176	-179.7	0	0	0	0	111.3	M604 R605	V601-M604 PolarHBondContact O-N 3.28Å; V601-R605 PolarHBondContact O-N 2.91Å
602	E	53.9	Low	66.4	Low	142 Å²	142	72.7 Å²	72.7	66%	0.664	40%	0.396	S	S	*	.	H	α-helix	trans	-65.8	-36.7	178.2	-76.2	170.1	144.8	0	0	113	S600 M604 R605 Q606	S600-E602 PolarHBondContact O-N 3.38Å; E602-M604 VanDerWaalsContact C-N 3.31Å; E602-M604 PolarHBondContact O-N 3.04Å; E602-R605 PolarHBondContact O-N 3.23Å; E602-Q606 PolarHBondContact O-N 3.24Å
603	V	55.3	Low	64.3	Low	51 Å²	51	78.5 Å²	78.5	31%	0.309	43%	0.427	S	S	.	.	H	α-helix	trans	-64.8	-37.6	174.6	172.7	0	0	0	0	110.8	S600 R605 Q606 K630	S600-V603 PolarHBondContact O-N 3.28Å; S600-V603 WeakPolarHBondContact OG-CG2 3.33Å; S600-V603 PolarHBondContact OG-N 2.82Å; V603-R605 VanDerWaalsContact C-N 3.27Å; V603-R605 PolarHBondContact O-N 2.93Å; V603-Q606 PolarHBondContact O-N 3.09Å; V603-K630 HydrophobicContact CG1-CB 4.46Å
604	M	51.5	Low	62.6	Low	92 Å²	92	83.1 Å²	83.1	45%	0.453	45%	0.449	S	S	.	.	H	α-helix	trans	-66.4	-26.6	177.2	-60.4	-158.3	-161.5	0	0	113.3	V601 E602	V601-M604 PolarHBondContact O-N 3.28Å; E602-M604 VanDerWaalsContact C-N 3.31Å; E602-M604 PolarHBondContact O-N 3.04Å
605	R	51.2	Low	61.4	Low	216 Å²	216	80.5 Å²	80.5	82%	0.815	44%	0.439	S	S	*	.	H	α-helix	trans	-80.7	-29.2	179.5	-92.5	-176.2	63.1	83.2	-1	114.1	V601 E602 V603	V601-R605 PolarHBondContact O-N 2.91Å; E602-R605 PolarHBondContact O-N 3.23Å; V603-R605 VanDerWaalsContact C-N 3.27Å; V603-R605 PolarHBondContact O-N 2.93Å
606	Q	50.2	Low	60.2	Low	158 Å²	158	83 Å²	83	74%	0.738	45%	0.452	S	S	*	.	H	α-helix	trans	-86.6	-24.5	-169.6	-70	179.8	3.1	0	0	113.7	E602 V603 G608	E602-Q606 PolarHBondContact O-N 3.24Å; V603-Q606 PolarHBondContact O-N 3.09Å; Q606-G608 VanDerWaalsContact C-N 3.31Å; Q606-G608 PolarHBondContact O-N 3.44Å
607	N	46.3	Very low	59.6	Low	67 Å²	67	84.4 Å²	84.4	36%	0.358	46%	0.463	S	S	.	.			trans	-84.6	71.5	178.4	-71	-13.4	0	0	0	111.6	S609 E631	N607-S609 PolarHBondContact O-N 2.67Å; N607-S609 VanDerWaalsContact O-N 3.09Å; N607-E631 WeakPolarHBondContact CB-OE1 3.39Å; N607-E631 PolarHBondContact ND2-OE1 3.5Å; N607-E631 VanDerWaalsContact ND2-OE1 3.15Å
608	G	43.5	Very low	59.1	Low	70 Å²	70	86.8 Å²	86.8	72%	0.722	47%	0.474	S	S	*	.			trans	-63.5	108.1	161	0	0	0	0	0	109.3	Q606 A610	Q606-G608 VanDerWaalsContact C-N 3.31Å; Q606-G608 PolarHBondContact O-N 3.44Å; G608-A610 PolarHBondContact O-N 2.94Å
609	S	45.1	Very low	59	Low	102 Å²	102	87.8 Å²	87.8	71%	0.713	49%	0.488	S	S	*	.			trans	4.1	80.4	171.2	-165.6	0	0	0	0	114	N607 L611	N607-S609 PolarHBondContact O-N 2.67Å; N607-S609 VanDerWaalsContact O-N 3.09Å; S609-L611 PolarHBondContact O-N 3.11Å
610	A	45.6	Very low	59.1	Low	67 Å²	67	88.2 Å²	88.2	55%	0.554	49%	0.491	S	S	*	.			trans	-57.9	115.5	162.1	0	0	0	0	0	105.6	G608 V612 L627	G608-A610 PolarHBondContact O-N 2.94Å; A610-V612 PolarHBondContact O-N 3.45Å; A610-L627 HydrophobicContact CB-CD1 4.5Å
611	L	45.8	Very low	60	Low	164 Å²	164	87 Å²	87	86%	0.859	48%	0.482	S	S	*	.			trans	-64.1	90.6	171.1	-67	173.3	0	0	0	105.9	S609 D613	S609-L611 PolarHBondContact O-N 3.11Å; L611-D613 PolarHBondContact O-N 3.46Å
612	V	53.1	Low	61.3	Low	31 Å²	31	85 Å²	85	19%	0.188	47%	0.469	C	S	.	.			trans	-64.2	122.2	167.4	-173.6	0	0	0	0	105	A610 H614 T623 L627	A610-V612 PolarHBondContact O-N 3.45Å; V612-H614 PolarHBondContact O-N 3.05Å; V612-T623 HydrophobicContact CG2-CG2 4.13Å; V612-L627 HydrophobicContact CG2-CD1 4.35Å
613	D	50.7	Low	63	Low	126 Å²	126	81.5 Å²	81.5	67%	0.674	46%	0.457	S	S	*	.			trans	-56.4	126.6	176.1	-153.2	-6.4	0	0	0	107.4	L611 D615 S620	L611-D613 PolarHBondContact O-N 3.46Å; D613-D615 PolarHBondContact O-N 3.5Å; D613-S620 PolarHBondContact O-OG 3.18Å
614	H	56.7	Low	64.5	Low	121 Å²	121	80.7 Å²	80.7	56%	0.56	45%	0.453	S	S	*	.			trans	-75.4	33.5	-174	-82.2	-79.6	0	0	0	112.1	V612 S658	V612-H614 PolarHBondContact O-N 3.05Å; H614-S658 PolarHBondContact ND1-O 2.87Å
615	D	64.7	Low	66.4	Low	71 Å²	71	77.7 Å²	77.7	38%	0.38	44%	0.437	S	S	.	.			trans	-69.3	157.1	175.3	82.6	-1.2	0	0	0	111.1	D613 S617 S620	D613-D615 PolarHBondContact O-N 3.5Å; D615-S617 PolarHBondContact O-N 2.82Å; D615-S617 VanDerWaalsContact O-N 3.08Å; D615-S617 WeakPolarHBondContact OD1-CB 3.33Å; D615-S617 PolarHBondContact OD1-N 2.96Å; D615-S617 PolarHBondContact OD1-OG 2.69Å; D615-S617 PolarHBondContact OD2-OG 2.52Å; D615-S620 WeakPolarHBondContact OD1-CB 3.48Å; D615-S620 PolarHBondContact OD1-OG 3.13Å
616	L	66.8	Low	68.3	Low	87 Å²	87	71.6 Å²	71.6	46%	0.455	42%	0.42	S	S	.	.	S	Bend	trans	-73.3	8.6	-179	-78.9	161.5	0	0	0	112.9	R645 T656 S658	L616-R645 PolarHBondContact O-NH1 3.42Å; L616-T656 HydrophobicContact CD1-CG2 4.19Å; L616-T656 HydrophobicContact CD2-CG2 4.23Å; L616-S658 WeakPolarHBondContact CD2-OG 3.23Å
617	S	78.5	Confident	70.1	Confident	37 Å²	37	66.1 Å²	66.1	26%	0.259	40%	0.396	S	S	.	.			trans	-76.6	151.2	-168.8	80.4	0	0	0	0	112.8	D615 A619 S620 A621	D615-S617 PolarHBondContact O-N 2.82Å; D615-S617 VanDerWaalsContact O-N 3.08Å; D615-S617 WeakPolarHBondContact OD1-CB 3.33Å; D615-S617 PolarHBondContact OD1-N 2.96Å; D615-S617 PolarHBondContact OD1-OG 2.69Å; D615-S617 PolarHBondContact OD2-OG 2.52Å; S617-A619 PolarHBondContact O-N 3.42Å; S617-A619 PolarHBondContact OG-N 2.91Å; S617-S620 PolarHBondContact O-N 3.39Å; S617-S620 PolarHBondContact OG-N 3.06Å; S617-S620 PolarHBondContact OG-OG 3.06Å; S617-A621 PolarHBondContact O-N 3.25Å
618	Q	80.6	Confident	72.1	Confident	59 Å²	59	65.5 Å²	65.5	28%	0.276	39%	0.389	S	S	.	.	H	α-helix	trans	-62.5	-31.6	171.7	-175.2	59.9	40.7	0	0	111.6	S620 A621 D622	Q618-S620 PolarHBondContact O-N 2.8Å; Q618-A621 WeakPolarHBondContact O-CB 3.14Å; Q618-A621 PolarHBondContact O-N 3.16Å; Q618-D622 PolarHBondContact NE2-OD1 3.05Å; Q618-D622 VanDerWaalsContact NE2-OD1 3.11Å; Q618-D622 VanDerWaalsContact O-CG 3.27Å; Q618-D622 PolarHBondContact O-N 2.67Å
619	A	84.7	Confident	74.3	Confident	61 Å²	61	63.9 Å²	63.9	50%	0.504	37%	0.365	S	S	.	.	H	α-helix	trans	-64.8	-38.4	179.4	0	0	0	0	0	112.5	S617 D622 T623	S617-A619 PolarHBondContact O-N 3.42Å; S617-A619 PolarHBondContact OG-N 2.91Å; A619-D622 PolarHBondContact O-N 3.26Å; A619-T623 WeakPolarHBondContact O-CB 3.34Å; A619-T623 PolarHBondContact O-N 3.32Å; A619-T623 PolarHBondContact O-OG1 2.92Å
620	S	86.3	Confident	76.3	Confident	12 Å²	12	64.8 Å²	64.8	8%	0.084	36%	0.356	C	S	.	.	H	α-helix	trans	-66.6	-41.1	174.6	-66.7	0	0	0	0	111.7	D613 D615 S617 Q618 T623 C624	D613-S620 PolarHBondContact O-OG 3.18Å; D615-S620 WeakPolarHBondContact OD1-CB 3.48Å; D615-S620 PolarHBondContact OD1-OG 3.13Å; S617-S620 PolarHBondContact O-N 3.39Å; S617-S620 PolarHBondContact OG-N 3.06Å; S617-S620 PolarHBondContact OG-OG 3.06Å; Q618-S620 PolarHBondContact O-N 2.8Å; S620-T623 PolarHBondContact O-N 3.07Å; S620-C624 PolarHBondContact O-N 3.38Å; S620-C624 PolarHBondContact O-SG 2.95Å
621	A	87.4	Confident	78.2	Confident	1 Å²	1	64.3 Å²	64.3	1%	0.008	34%	0.342	C	S	.	.	H	α-helix	trans	-59.5	-48.1	174.2	0	0	0	0	0	111.8	S617 Q618 T623 C624 W625 Q643 F660 I715	S617-A621 PolarHBondContact O-N 3.25Å; Q618-A621 WeakPolarHBondContact O-CB 3.14Å; Q618-A621 PolarHBondContact O-N 3.16Å; A621-T623 PolarHBondContact O-N 3.31Å; A621-C624 PolarHBondContact O-N 2.94Å; A621-W625 WeakPolarHBondContact O-CB 3.22Å; A621-W625 PolarHBondContact O-N 2.87Å; A621-Q643 PolarHBondContact O-NE2 2.99Å; A621-Q643 PolarHBondContact O-OE1 2.94Å; A621-F660 HydrophobicContact CB-CD1 3.85Å; A621-F660 HydrophobicContact CB-CE1 3.36Å; A621-F660 HydrophobicContact CB-CE2 4.42Å; A621-F660 HydrophobicContact CB-CZ 3.69Å; A621-I715 HydrophobicContact CB-CG2 4.03Å
622	D	89.4	Confident	80.3	Confident	51 Å²	51	57.9 Å²	57.9	27%	0.273	31%	0.309	S	S	.	.	H	α-helix	trans	-62.8	-41.3	178.1	-67.9	-26.9	0	0	0	111.6	Q618 A619 W625 N626 R716	Q618-D622 PolarHBondContact NE2-OD1 3.05Å; Q618-D622 VanDerWaalsContact NE2-OD1 3.11Å; Q618-D622 VanDerWaalsContact O-CG 3.27Å; Q618-D622 PolarHBondContact O-N 2.67Å; A619-D622 PolarHBondContact O-N 3.26Å; D622-W625 PolarHBondContact O-N 3.47Å; D622-N626 WeakPolarHBondContact O-CB 3.24Å; D622-N626 PolarHBondContact O-N 2.83Å; D622-N626 PolarHBondContact O-ND2 2.94Å; D622-N626 VanDerWaalsContact O-ND2 3.12Å; D622-R716 IonicContact OD1-CZ 3.4Å; D622-R716 IonicContact OD1-NH2 2.95Å; D622-R716 PolarHBondContact OD1-NH2 3.36Å
623	T	89	Confident	82	Confident	68 Å²	68	63.7 Å²	63.7	42%	0.417	33%	0.327	S	S	.	.	H	α-helix	trans	-62.7	-48.2	176.7	-59.3	0	0	0	0	111.4	V612 A619 S620 A621 W625 N626 L627	V612-T623 HydrophobicContact CG2-CG2 4.13Å; A619-T623 WeakPolarHBondContact O-CB 3.34Å; A619-T623 PolarHBondContact O-N 3.32Å; A619-T623 PolarHBondContact O-OG1 2.92Å; S620-T623 PolarHBondContact O-N 3.07Å; A621-T623 PolarHBondContact O-N 3.31Å; T623-W625 VanDerWaalsContact C-N 3.32Å; T623-W625 PolarHBondContact O-N 3.49Å; T623-N626 PolarHBondContact O-N 2.92Å; T623-L627 HydrophobicContact CG2-CD1 4.29Å; T623-L627 WeakPolarHBondContact O-CG 3.48Å; T623-L627 PolarHBondContact O-N 3.11Å
624	C	88.5	Confident	83.9	Confident	34 Å²	34	57.8 Å²	57.8	23%	0.23	30%	0.296	C	S	.	.	H	α-helix	trans	-60	-43.3	177.3	-67.9	0	0	0	0	111.5	S620 A621 L627 Y628 F660	S620-C624 PolarHBondContact O-N 3.38Å; S620-C624 PolarHBondContact O-SG 2.95Å; A621-C624 PolarHBondContact O-N 2.94Å; C624-L627 PolarHBondContact O-N 3.33Å; C624-Y628 WeakPolarHBondContact O-CB 3.45Å; C624-Y628 PolarHBondContact O-N 2.84Å; C624-F660 HydrophobicContact CB-CB 4.4Å; C624-F660 HydrophobicContact CB-CD2 4.28Å
625	W	90.5	Very high	85.6	Confident	28 Å²	28	53.5 Å²	53.5	11%	0.106	28%	0.277	C	S	.	.	H	α-helix	trans	-65.1	-44.2	178.7	-176.2	-104.6	0	0	0	112.1	A621 D622 T623 L627 Y628 V629 Q641 Q643 V662	A621-W625 WeakPolarHBondContact O-CB 3.22Å; A621-W625 PolarHBondContact O-N 2.87Å; D622-W625 PolarHBondContact O-N 3.47Å; T623-W625 VanDerWaalsContact C-N 3.32Å; T623-W625 PolarHBondContact O-N 3.49Å; W625-L627 VanDerWaalsContact C-N 3.33Å; W625-L627 PolarHBondContact O-N 3.1Å; W625-Y628 HydrophobicContact CE3-CD1 4.17Å; W625-Y628 HydrophobicContact CH2-CD1 4.36Å; W625-Y628 HydrophobicContact CH2-CE1 4.43Å; W625-Y628 AromaticContact CZ3-CD1 3.93Å; W625-Y628 HydrophobicContact CZ3-CD1 3.93Å; W625-Y628 HydrophobicContact CZ3-CE1 4.22Å; W625-Y628 WeakPolarHBondContact O-CB 3.27Å; W625-Y628 PolarHBondContact O-N 3.5Å; W625-V629 HydrophobicContact CD2-CG2 4.11Å; W625-V629 HydrophobicContact CG-CG2 4.37Å; W625-V629 HydrophobicContact CZ2-CG2 3.86Å; W625-V629 WeakPolarHBondContact O-CG2 3.42Å; W625-V629 PolarHBondContact O-N 3.34Å; W625-Q641 HydrophobicContact CH2-CB 4.3Å; W625-Q643 HydrophobicContact CE3-CB 3.78Å; W625-Q643 HydrophobicContact CE3-CG 4.27Å; W625-Q643 HydrophobicContact CZ3-CB 4.11Å; W625-V662 HydrophobicContact CZ3-CG1 4.29Å; W625-V662 HydrophobicContact CZ3-CG2 4.13Å
626	N	90.4	Very high	87	Confident	88 Å²	88	50.4 Å²	50.4	47%	0.471	26%	0.26	S	S	.	.	H	α-helix	trans	-65	-36.8	180	-72.2	-26.7	0	0	0	112.3	D622 T623 K630	D622-N626 WeakPolarHBondContact O-CB 3.24Å; D622-N626 PolarHBondContact O-N 2.83Å; D622-N626 PolarHBondContact O-ND2 2.94Å; D622-N626 VanDerWaalsContact O-ND2 3.12Å; T623-N626 PolarHBondContact O-N 2.92Å; N626-K630 WeakPolarHBondContact O-CB 3.49Å; N626-K630 WeakPolarHBondContact O-CG 3.29Å; N626-K630 PolarHBondContact O-N 3.44Å; N626-K630 VanDerWaalsContact O-N 3.12Å
627	L	87.7	Confident	88.2	Confident	43 Å²	43	46.3 Å²	46.3	23%	0.225	24%	0.239	C	C	.	.	H	α-helix	trans	-64.5	-46.7	172.2	-69.6	172.5	0	0	0	110.8	A610 V612 T623 C624 W625 V629 K630 E631	A610-L627 HydrophobicContact CB-CD1 4.5Å; V612-L627 HydrophobicContact CG2-CD1 4.35Å; T623-L627 HydrophobicContact CG2-CD1 4.29Å; T623-L627 WeakPolarHBondContact O-CG 3.48Å; T623-L627 PolarHBondContact O-N 3.11Å; C624-L627 PolarHBondContact O-N 3.33Å; W625-L627 VanDerWaalsContact C-N 3.33Å; W625-L627 PolarHBondContact O-N 3.1Å; L627-V629 PolarHBondContact O-N 2.94Å; L627-K630 PolarHBondContact O-N 2.81Å; L627-E631 PolarHBondContact O-N 2.82Å
628	Y	90.1	Very high	88.9	Confident	55 Å²	55	49.3 Å²	49.3	22%	0.216	25%	0.252	C	S	.	.	H	α-helix	trans	-58	-49.3	177.3	177.2	-99.5	0	0	0	112.6	C624 W625 K630 E631 N632 V637 Q641 V662	C624-Y628 WeakPolarHBondContact O-CB 3.45Å; C624-Y628 PolarHBondContact O-N 2.84Å; W625-Y628 HydrophobicContact CE3-CD1 4.17Å; W625-Y628 HydrophobicContact CH2-CD1 4.36Å; W625-Y628 HydrophobicContact CH2-CE1 4.43Å; W625-Y628 AromaticContact CZ3-CD1 3.93Å; W625-Y628 HydrophobicContact CZ3-CD1 3.93Å; W625-Y628 HydrophobicContact CZ3-CE1 4.22Å; W625-Y628 WeakPolarHBondContact O-CB 3.27Å; W625-Y628 PolarHBondContact O-N 3.5Å; Y628-K630 VanDerWaalsContact C-N 3.32Å; Y628-K630 PolarHBondContact O-N 3.16Å; Y628-E631 PolarHBondContact O-N 2.64Å; Y628-N632 WeakPolarHBondContact CD2-ND2 3.38Å; Y628-N632 HydrophobicContact CE1-CB 4.23Å; Y628-N632 HydrophobicContact CE2-CB 4.37Å; Y628-N632 WeakPolarHBondContact CE2-ND2 3.23Å; Y628-N632 WeakPolarHBondContact O-CB 3.42Å; Y628-N632 PolarHBondContact O-N 3.47Å; Y628-N632 PolarHBondContact O-ND2 2.95Å; Y628-V637 HydrophobicContact CE1-CG1 3.97Å; Y628-V637 HydrophobicContact CE1-CG2 4.47Å; Y628-Q641 VanDerWaalsContact CE1-OE1 3.27Å; Y628-Q641 PolarHBondContact OH-OE1 2.79Å; Y628-V662 HydrophobicContact CD1-CG2 3.93Å; Y628-V662 HydrophobicContact CD2-CG2 3.92Å; Y628-V662 HydrophobicContact CE1-CB 4.49Å; Y628-V662 HydrophobicContact CE1-CG1 3.95Å; Y628-V662 HydrophobicContact CE1-CG2 3.82Å; Y628-V662 HydrophobicContact CE2-CG2 3.81Å; Y628-V662 HydrophobicContact CG-CG2 3.97Å
629	V	89.6	Confident	89.5	Confident	35 Å²	35	47.1 Å²	47.1	21%	0.212	24%	0.242	C	C	.	.	H	α-helix	trans	-63.8	-36.4	179.6	171.2	0	0	0	0	111.8	W625 L627 E631 N632 R633 V637	W625-V629 HydrophobicContact CD2-CG2 4.11Å; W625-V629 HydrophobicContact CG-CG2 4.37Å; W625-V629 HydrophobicContact CZ2-CG2 3.86Å; W625-V629 WeakPolarHBondContact O-CG2 3.42Å; W625-V629 PolarHBondContact O-N 3.34Å; L627-V629 PolarHBondContact O-N 2.94Å; V629-E631 PolarHBondContact O-N 3.28Å; V629-N632 CarbonylContact O-C 3.58Å; V629-N632 PolarHBondContact O-N 3.28Å; V629-R633 WeakPolarHBondContact O-CG 3.33Å; V629-R633 PolarHBondContact O-N 3.31Å; V629-V637 HydrophobicContact CG2-CG1 4.33Å
630	K	86.7	Confident	90	Very high	122 Å²	122	44.2 Å²	44.2	53%	0.53	22%	0.218	S	C	.	.	H	α-helix	trans	-60.7	-35.8	176	-79.6	172.7	-179.3	-176.9	0	112.4	A599 V603 N626 L627 Y628	A599-K630 WeakPolarHBondContact CB-O 3.48Å; V603-K630 HydrophobicContact CG1-CB 4.46Å; N626-K630 WeakPolarHBondContact O-CB 3.49Å; N626-K630 WeakPolarHBondContact O-CG 3.29Å; N626-K630 PolarHBondContact O-N 3.44Å; N626-K630 VanDerWaalsContact O-N 3.12Å; L627-K630 PolarHBondContact O-N 2.81Å; Y628-K630 VanDerWaalsContact C-N 3.32Å; Y628-K630 PolarHBondContact O-N 3.16Å
631	E	85.3	Confident	90.4	Very high	56 Å²	56	44.4 Å²	44.4	26%	0.262	22%	0.218	S	C	.	.	H	α-helix	trans	-85	-20.9	178.9	-69.4	168	-164.9	0	0	112.7	N597 A599 N607 L627 Y628 V629	N597-E631 PolarHBondContact ND2-O 3.43Å; N597-E631 VanDerWaalsContact ND2-O 3.07Å; A599-E631 WeakPolarHBondContact CB-O 3.28Å; N607-E631 WeakPolarHBondContact CB-OE1 3.39Å; N607-E631 PolarHBondContact ND2-OE1 3.5Å; N607-E631 VanDerWaalsContact ND2-OE1 3.15Å; L627-E631 PolarHBondContact O-N 2.82Å; Y628-E631 PolarHBondContact O-N 2.64Å; V629-E631 PolarHBondContact O-N 3.28Å
632	N	89.8	Confident	90.6	Very high	29 Å²	29	44.3 Å²	44.3	16%	0.155	22%	0.217	C	C	.	.			trans	-129.5	63.1	-171.2	-62.3	-76.9	0	0	0	110.6	H593 Y628 V629 S634 V637	H593-N632 PolarHBondContact NE2-OD1 3.3Å; Y628-N632 WeakPolarHBondContact CD2-ND2 3.38Å; Y628-N632 HydrophobicContact CE1-CB 4.23Å; Y628-N632 HydrophobicContact CE2-CB 4.37Å; Y628-N632 WeakPolarHBondContact CE2-ND2 3.23Å; Y628-N632 WeakPolarHBondContact O-CB 3.42Å; Y628-N632 PolarHBondContact O-N 3.47Å; Y628-N632 PolarHBondContact O-ND2 2.95Å; V629-N632 CarbonylContact O-C 3.58Å; V629-N632 PolarHBondContact O-N 3.28Å; N632-S634 PolarHBondContact O-N 3.04Å; N632-V637 HydrophobicContact CB-CG2 4.02Å; N632-V637 VanDerWaalsContact O-CG2 3.3Å; N632-V637 WeakPolarHBondContact O-CG2 3.31Å
633	R	88.8	Confident	90.8	Very high	153 Å²	153	42.1 Å²	42.1	58%	0.577	21%	0.205	S	C	*	.			trans	-85.7	87.2	-178.3	-61.8	-172.1	78.2	-170.6	2.8	110.5	N597 L598 A599 V629	N597-R633 CarbonylContact C-O 3.53Å; N597-R633 WeakPolarHBondContact CA-O 3.32Å; N597-R633 PolarHBondContact OD1-N 2.89Å; N597-R633 PolarHBondContact OD1-O 2.93Å; L598-R633 HydrophobicContact CB-CB 4.28Å; L598-R633 PolarHBondContact N-O 2.97Å; A599-R633 HydrophobicContact CB-CB 4.4Å; A599-R633 HydrophobicContact CB-CG 4.28Å; V629-R633 WeakPolarHBondContact O-CG 3.33Å; V629-R633 PolarHBondContact O-N 3.31Å
634	S	91.3	Very high	90.8	Very high	3 Å²	3	39.4 Å²	39.4	2%	0.021	19%	0.189	C	C	.	.	S	Bend	trans	-141.3	156.3	177.9	73	0	0	0	0	111.6	H593 N632 I636 V637 D638	H593-S634 WeakPolarHBondContact ND1-CB 3.17Å; H593-S634 PolarHBondContact ND1-OG 3.49Å; N632-S634 PolarHBondContact O-N 3.04Å; S634-I636 PolarHBondContact O-N 3.27Å; S634-I636 PolarHBondContact OG-N 3.17Å; S634-V637 PolarHBondContact O-N 3.46Å; S634-V637 VanDerWaalsContact O-N 3.09Å; S634-V637 VanDerWaalsContact OG-CG2 3.24Å; S634-V637 WeakPolarHBondContact OG-CG2 3.17Å; S634-V637 PolarHBondContact OG-N 3.36Å; S634-D638 PolarHBondContact O-N 3.29Å; S634-D638 VanDerWaalsContact O-N 3.15Å
635	L	91.4	Very high	90.9	Very high	31 Å²	31	38.9 Å²	38.9	16%	0.162	18%	0.183	C	C	.	.	H	α-helix	trans	-55.5	-34.4	173.2	-175.1	70.9	0	0	0	112.9	L512 Y515 V637 D638 L639	L512-L635 HydrophobicContact CD2-CD2 3.57Å; L512-L635 HydrophobicContact CD2-CG 4.23Å; Y515-L635 HydrophobicContact CD1-CD2 3.33Å; Y515-L635 HydrophobicContact CD2-CD1 4.26Å; Y515-L635 HydrophobicContact CD2-CD2 4.11Å; Y515-L635 HydrophobicContact CE1-CD2 3.62Å; Y515-L635 HydrophobicContact CE2-CD2 4.38Å; Y515-L635 HydrophobicContact CG-CD1 4.4Å; Y515-L635 HydrophobicContact CG-CD2 3.58Å; L635-V637 VanDerWaalsContact C-N 3.35Å; L635-D638 PolarHBondContact O-N 3.19Å; L635-L639 HydrophobicContact CD1-CD1 3.84Å; L635-L639 HydrophobicContact CD1-CG 4.13Å; L635-L639 HydrophobicContact CD2-CD1 4.4Å; L635-L639 HydrophobicContact CG-CD1 3.85Å; L635-L639 HydrophobicContact CG-CG 4.32Å; L635-L639 WeakPolarHBondContact O-CB 3.41Å; L635-L639 WeakPolarHBondContact O-CG 3.38Å; L635-L639 PolarHBondContact O-N 3.01Å
636	I	93.9	Very high	90.9	Very high	5 Å²	5	38.3 Å²	38.3	3%	0.026	18%	0.183	C	C	.	.	H	α-helix	trans	-64.9	-41.9	179.5	-58.4	-52.1	0	0	0	111	F589 L592 H593 S634 L639 F640	F589-I636 HydrophobicContact CB-CG2 3.98Å; F589-I636 HydrophobicContact CD1-CD1 3.83Å; F589-I636 HydrophobicContact CD1-CG2 4.43Å; F589-I636 HydrophobicContact CE1-CD1 4.34Å; F589-I636 HydrophobicContact CG-CG2 4.32Å; L592-I636 HydrophobicContact CB-CD1 3.94Å; L592-I636 HydrophobicContact CB-CG1 3.83Å; L592-I636 HydrophobicContact CD1-CD1 4.17Å; H593-I636 HydrophobicContact CB-CB 4.13Å; H593-I636 HydrophobicContact CB-CG1 4.29Å; H593-I636 HydrophobicContact CB-CG2 4.31Å; S634-I636 PolarHBondContact O-N 3.27Å; S634-I636 PolarHBondContact OG-N 3.17Å; I636-L639 PolarHBondContact O-N 3.32Å; I636-F640 HydrophobicContact CD1-CD2 4.32Å; I636-F640 HydrophobicContact CD1-CE2 4.46Å; I636-F640 HydrophobicContact CG2-CD2 4.49Å; I636-F640 PolarHBondContact O-N 3.23Å
637	V	92.7	Very high	91	Very high	2 Å²	2	34.1 Å²	34.1	1%	0.012	16%	0.16	C	C	.	.	H	α-helix	trans	-65.4	-43.1	177.2	174.6	0	0	0	0	110.4	Y628 V629 N632 S634 L635 L639 Q641	Y628-V637 HydrophobicContact CE1-CG1 3.97Å; Y628-V637 HydrophobicContact CE1-CG2 4.47Å; V629-V637 HydrophobicContact CG2-CG1 4.33Å; N632-V637 HydrophobicContact CB-CG2 4.02Å; N632-V637 VanDerWaalsContact O-CG2 3.3Å; N632-V637 WeakPolarHBondContact O-CG2 3.31Å; S634-V637 PolarHBondContact O-N 3.46Å; S634-V637 VanDerWaalsContact O-N 3.09Å; S634-V637 VanDerWaalsContact OG-CG2 3.24Å; S634-V637 WeakPolarHBondContact OG-CG2 3.17Å; S634-V637 PolarHBondContact OG-N 3.36Å; L635-V637 VanDerWaalsContact C-N 3.35Å; V637-L639 VanDerWaalsContact C-N 3.34Å; V637-L639 PolarHBondContact O-N 2.91Å; V637-Q641 VanDerWaalsContact CG2-OE1 3.23Å; V637-Q641 PolarHBondContact O-N 2.78Å
638	D	92.1	Very high	91.2	Very high	100 Å²	100	32.8 Å²	32.8	54%	0.535	15%	0.154	S	C	.	.	H	α-helix	trans	-66	-35.2	-179.1	-67.7	-21.3	0	0	0	112.9	S634 L635	S634-D638 PolarHBondContact O-N 3.29Å; S634-D638 VanDerWaalsContact O-N 3.15Å; L635-D638 PolarHBondContact O-N 3.19Å
639	L	94.1	Very high	91.3	Very high	12 Å²	12	34 Å²	34	6%	0.063	16%	0.162	C	C	.	.	H	α-helix	trans	-94.6	-50.8	-175.4	-64.4	-177.5	0	0	0	113.7	I511 L512 L635 I636 V637 V719 M720	I511-L639 HydrophobicContact CD1-CD2 4.34Å; I511-L639 HydrophobicContact CG2-CD1 4.1Å; I511-L639 HydrophobicContact CG2-CD2 3.93Å; L512-L639 HydrophobicContact CD2-CD1 3.53Å; L512-L639 HydrophobicContact CG-CD1 3.96Å; L635-L639 HydrophobicContact CD1-CD1 3.84Å; L635-L639 HydrophobicContact CD1-CG 4.13Å; L635-L639 HydrophobicContact CD2-CD1 4.4Å; L635-L639 HydrophobicContact CG-CD1 3.85Å; L635-L639 HydrophobicContact CG-CG 4.32Å; L635-L639 WeakPolarHBondContact O-CB 3.41Å; L635-L639 WeakPolarHBondContact O-CG 3.38Å; L635-L639 PolarHBondContact O-N 3.01Å; I636-L639 PolarHBondContact O-N 3.32Å; V637-L639 VanDerWaalsContact C-N 3.34Å; V637-L639 PolarHBondContact O-N 2.91Å; L639-V719 HydrophobicContact CD2-CB 4.22Å; L639-V719 HydrophobicContact CD2-CG1 4.13Å; L639-V719 PolarHBondContact O-N 3Å; L639-M720 PolarHBondContact O-N 3.42Å
640	F	95.3	Very high	91.5	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-105.3	-15.5	-164.1	-64.4	-80.3	0	0	0	114	L506 L512 F589 I636 M664 M720 L722	L506-F640 HydrophobicContact CD2-CZ 4.26Å; L512-F640 HydrophobicContact CD1-CE2 3.79Å; L512-F640 HydrophobicContact CD1-CZ 3.59Å; L512-F640 HydrophobicContact CD2-CE2 4.17Å; L512-F640 HydrophobicContact CG-CE2 4.21Å; L512-F640 HydrophobicContact CG-CZ 4.24Å; F589-F640 HydrophobicContact CD1-CD2 4.45Å; F589-F640 HydrophobicContact CE1-CD1 4.43Å; F589-F640 AromaticContact CE1-CD2 3.91Å; F589-F640 HydrophobicContact CE1-CD2 3.91Å; F589-F640 HydrophobicContact CE1-CE1 4.22Å; F589-F640 AromaticContact CE1-CE2 3.7Å; F589-F640 HydrophobicContact CE1-CE2 3.7Å; F589-F640 HydrophobicContact CE1-CG 4.28Å; F589-F640 AromaticContact CE1-CZ 3.87Å; F589-F640 HydrophobicContact CE1-CZ 3.87Å; F589-F640 HydrophobicContact CE2-CD1 4.02Å; F589-F640 HydrophobicContact CE2-CE1 4.29Å; F589-F640 HydrophobicContact CE2-CG 4.17Å; F589-F640 AromaticContact CZ-CD1 3.67Å; F589-F640 HydrophobicContact CZ-CD1 3.67Å; F589-F640 AromaticContact CZ-CD2 3.97Å; F589-F640 HydrophobicContact CZ-CD2 3.97Å; F589-F640 AromaticContact CZ-CE1 3.54Å; F589-F640 HydrophobicContact CZ-CE1 3.54Å; F589-F640 AromaticContact CZ-CE2 3.87Å; F589-F640 HydrophobicContact CZ-CE2 3.87Å; F589-F640 AromaticContact CZ-CG 3.88Å; F589-F640 HydrophobicContact CZ-CG 3.88Å; F589-F640 AromaticContact CZ-CZ 3.66Å; F589-F640 HydrophobicContact CZ-CZ 3.66Å; I636-F640 HydrophobicContact CD1-CD2 4.32Å; I636-F640 HydrophobicContact CD1-CE2 4.46Å; I636-F640 HydrophobicContact CG2-CD2 4.49Å; I636-F640 PolarHBondContact O-N 3.23Å; F640-M664 HydrophobicContact CB-CG 4.02Å; F640-M664 WeakPolarHBondContact O-CA 3.27Å; F640-M720 HydrophobicContact CD1-CB 3.34Å; F640-M720 HydrophobicContact CD1-CG 4.04Å; F640-M720 HydrophobicContact CE1-CB 3.37Å; F640-M720 HydrophobicContact CE1-CE 4.21Å; F640-M720 HydrophobicContact CE1-CG 3.59Å; F640-M720 HydrophobicContact CG-CB 4.17Å; F640-M720 HydrophobicContact CZ-CB 4.19Å; F640-M720 HydrophobicContact CZ-CG 3.95Å; F640-L722 HydrophobicContact CD1-CD1 3.62Å; F640-L722 HydrophobicContact CD1-CD2 4.25Å; F640-L722 HydrophobicContact CD1-CG 3.99Å; F640-L722 HydrophobicContact CE1-CD1 4.19Å; F640-L722 HydrophobicContact CE1-CD2 4.23Å; F640-L722 HydrophobicContact CE1-CG 4.47Å
641	Q	94.6	Very high	91.8	Very high	16 Å²	16	30.8 Å²	30.8	8%	0.075	15%	0.149	C	C	.	.			trans	-98.3	147.9	-176.2	-61.9	-174.4	-3.4	0	0	112.6	W625 Y628 V637 V662 Y663 M664 P718	W625-Q641 HydrophobicContact CH2-CB 4.3Å; Y628-Q641 VanDerWaalsContact CE1-OE1 3.27Å; Y628-Q641 PolarHBondContact OH-OE1 2.79Å; V637-Q641 VanDerWaalsContact CG2-OE1 3.23Å; V637-Q641 PolarHBondContact O-N 2.78Å; Q641-V662 HydrophobicContact CB-CG1 4.03Å; Q641-V662 HydrophobicContact CG-CG1 4.33Å; Q641-Y663 VanDerWaalsContact CA-O 3.28Å; Q641-Y663 WeakPolarHBondContact CA-O 3.43Å; Q641-M664 HydrophobicContact CG-CB 4.37Å; Q641-P718 WeakPolarHBondContact O-CB 3.47Å
642	G	91.9	Very high	92.2	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	-169.3	168.5	0	0	0	0	0	111.9	V662 Y663 R716	G642-V662 VanDerWaalsContact O-CA 3.32Å; G642-V662 WeakPolarHBondContact O-CA 3.48Å; G642-V662 WeakPolarHBondContact O-CG1 3.45Å; G642-Y663 VanDerWaalsContact CA-CZ 3.48Å; G642-Y663 WeakPolarHBondContact CA-OH 3.05Å; G642-Y663 PolarHBondContact N-O 2.89Å; G642-Y663 WeakPolarHBondContact O-CD1 3.33Å; G642-Y663 PolarHBondContact O-N 3.37Å; G642-R716 CarbonylContact C-O 3.55Å; G642-R716 VanDerWaalsContact CA-O 3.29Å; G642-R716 WeakPolarHBondContact CA-O 3.49Å
643	Q	92.3	Very high	92.3	Very high	4 Å²	4	34.4 Å²	34.4	2%	0.019	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	127.7	-173.5	-166.8	-175	46.8	0	0	112.2	A621 W625 F660 D661 I715 R716	A621-Q643 PolarHBondContact O-NE2 2.99Å; A621-Q643 PolarHBondContact O-OE1 2.94Å; W625-Q643 HydrophobicContact CE3-CB 3.78Å; W625-Q643 HydrophobicContact CE3-CG 4.27Å; W625-Q643 HydrophobicContact CZ3-CB 4.11Å; Q643-F660 HydrophobicContact CG-CB 4.2Å; Q643-D661 WeakPolarHBondContact CA-O 3.22Å; Q643-I715 PolarHBondContact O-N 2.97Å; Q643-R716 HydrophobicContact CB-CB 3.91Å; Q643-R716 PolarHBondContact N-O 2.8Å; Q643-R716 PolarHBondContact O-N 2.99Å
644	C	90.7	Very high	92.4	Very high	12 Å²	12	29 Å²	29	8%	0.081	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	147.2	170.4	-78.4	0	0	0	0	110.4	F660 D661 Y663 R713	C644-F660 CarbonylContact O-C 3.53Å; C644-F660 WeakPolarHBondContact O-CA 3.32Å; C644-D661 PolarHBondContact N-O 2.99Å; C644-D661 PolarHBondContact O-N 3.36Å; C644-Y663 HydrophobicContact CB-CD1 4.07Å; C644-Y663 WeakPolarHBondContact SG-CD1 3.33Å; C644-Y663 VanDerWaalsContact SG-CE1 3.59Å; C644-R713 CarbonylContact C-O 3.52Å; C644-R713 WeakPolarHBondContact CA-O 3.12Å
645	R	89.9	Confident	92.4	Very high	23 Å²	23	31.5 Å²	31.5	9%	0.087	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	119.4	167.8	-177.2	178.8	68	-152.5	-9.3	108.8	L616 K659 F660 D712 R713 I715 D757	L616-R645 PolarHBondContact O-NH1 3.42Å; R645-K659 CarbonylContact C-O 3.54Å; R645-K659 WeakPolarHBondContact CA-O 3.32Å; R645-F660 HydrophobicContact CB-CD1 3.96Å; R645-F660 HydrophobicContact CB-CE1 3.9Å; R645-F660 HydrophobicContact CG-CD1 4.13Å; R645-F660 HydrophobicContact CG-CE1 3.76Å; R645-F660 HydrophobicContact CG-CZ 4.49Å; R645-D712 WeakPolarHBondContact O-CA 3.32Å; R645-R713 PolarHBondContact N-O 3.05Å; R645-R713 PolarHBondContact O-N 3.33Å; R645-I715 HydrophobicContact CB-CD1 3.86Å; R645-I715 HydrophobicContact CB-CG1 3.57Å; R645-D757 IonicContact CZ-OD2 3.49Å; R645-D757 VanDerWaalsContact CZ-OD2 3.23Å; R645-D757 IonicContact NH1-OD2 2.79Å; R645-D757 PolarHBondContact NH1-OD2 2.88Å; R645-D757 VanDerWaalsContact NH1-OD2 3.1Å; R645-D757 IonicContact NH2-OD1 3.81Å; R645-D757 IonicContact NH2-OD2 3.4Å; R645-D757 PolarHBondContact NH2-OD2 3.1Å
646	S	90.8	Very high	92.3	Very high	15 Å²	15	32.1 Å²	32.1	11%	0.105	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	115.9	167.6	-164	0	0	0	0	108.8	S658 K659 D712	S646-S658 CarbonylContact O-C 3.5Å; S646-S658 VanDerWaalsContact O-CA 3.31Å; S646-S658 WeakPolarHBondContact O-CA 3.34Å; S646-K659 PolarHBondContact N-O 3.32Å; S646-K659 PolarHBondContact O-N 2.84Å; S646-D712 WeakPolarHBondContact CA-OD1 3.34Å; S646-D712 WeakPolarHBondContact CB-OD1 3.39Å; S646-D712 PolarHBondContact OG-OD1 3.49Å
647	S	91.4	Very high	92.1	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	125	179.8	-72.2	0	0	0	0	109.6	S657 S658 R710 H711	S647-S657 WeakPolarHBondContact CA-O 3.42Å; S647-S658 PolarHBondContact OG-OG 3.03Å; S647-R710 CarbonylContact O-C 3.37Å; S647-R710 VanDerWaalsContact O-CA 3.3Å; S647-R710 WeakPolarHBondContact O-CA 3.19Å; S647-H711 VanDerWaalsContact CB-CE1 3.46Å; S647-H711 WeakPolarHBondContact CB-CE1 3.47Å; S647-H711 WeakPolarHBondContact CB-NE2 3.48Å; S647-H711 PolarHBondContact N-O 3.19Å; S647-H711 PolarHBondContact O-N 3.32Å
648	T	92.4	Very high	91.8	Very high	15 Å²	15	33.4 Å²	33.4	9%	0.092	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	116.5	178.9	-56	0	0	0	0	109.9	T656 S657 L691 W697 A708 V709	T648-T656 CarbonylContact O-C 3.6Å; T648-T656 WeakPolarHBondContact O-CA 3.39Å; T648-S657 PolarHBondContact N-O 3.01Å; T648-S657 PolarHBondContact O-N 2.78Å; T648-L691 HydrophobicContact CG2-CD1 4.16Å; T648-W697 HydrophobicContact CG2-CB 4.46Å; T648-W697 HydrophobicContact CG2-CD2 3.61Å; T648-W697 HydrophobicContact CG2-CE3 4.07Å; T648-W697 HydrophobicContact CG2-CG 3.78Å; T648-W697 HydrophobicContact CG2-CZ2 4.21Å; T648-A708 HydrophobicContact CG2-CB 3.72Å; T648-V709 CarbonylContact C-O 3.53Å; T648-V709 WeakPolarHBondContact CA-O 3.38Å
649	Q	92.7	Very high	91.6	Very high	82 Å²	82	32.6 Å²	32.6	38%	0.383	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	126.6	-179.2	-173.5	177.9	36.4	0	0	111.6	L651 A708 V709	Q649-L651 PolarHBondContact O-N 2.91Å; Q649-A708 CarbonylContact O-C 3.46Å; Q649-A708 WeakPolarHBondContact O-CA 3.25Å; Q649-A708 VanDerWaalsContact O-CB 3.26Å; Q649-A708 WeakPolarHBondContact O-CB 3.4Å; Q649-V709 PolarHBondContact N-O 3.37Å; Q649-V709 PolarHBondContact O-N 2.91Å
650	C	93.5	Very high	91.4	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.007	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	121.7	171.6	-164.4	0	0	0	0	111	H652 C653 G654 M655 W697 C699	C650-H652 PolarHBondContact O-N 3.03Å; C650-C653 VanDerWaalsContact CB-SG 3.51Å; C650-G654 VanDerWaalsContact O-CA 3.28Å; C650-G654 WeakPolarHBondContact O-CA 3.47Å; C650-G654 PolarHBondContact O-N 3.14Å; C650-M655 PolarHBondContact N-O 3.15Å; C650-W697 HydrophobicContact CB-CH2 4.44Å; C650-W697 HydrophobicContact CB-CZ3 3.68Å; C650-C699 VanDerWaalsContact SG-SG 3.68Å
651	L	93.8	Very high	91.2	Very high	88 Å²	88	35.6 Å²	35.6	46%	0.461	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-14.2	175.6	-65.8	-178.3	0	0	0	113.6	Q649 Y690 P707 V709	Q649-L651 PolarHBondContact O-N 2.91Å; L651-Y690 HydrophobicContact CD1-CD2 4.1Å; L651-Y690 HydrophobicContact CD1-CE2 3.49Å; L651-Y690 VanDerWaalsContact CD1-CE2 3.49Å; L651-P707 HydrophobicContact CD1-CB 4.35Å; L651-P707 PolarHBondContact N-O 3.49Å; L651-P707 VanDerWaalsContact N-O 3.1Å; L651-V709 HydrophobicContact CD1-CG2 4.12Å; L651-V709 HydrophobicContact CD2-CG2 3.84Å; L651-V709 HydrophobicContact CG-CG2 4.23Å
652	H	92.4	Very high	91	Very high	116 Å²	116	37.4 Å²	37.4	54%	0.537	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-37.4	178.6	-173.7	-63.1	0	0	0	113.6	C650 R706	C650-H652 PolarHBondContact O-N 3.03Å; H652-R706 HydrophobicContact CB-CG 4.29Å; H652-R706 PolarHBondContact CD2-NH2 2.85Å; H652-R706 PolarHBondContact NE2-NH2 2.93Å
653	C	93.3	Very high	90.9	Very high	44 Å²	44	38.7 Å²	38.7	30%	0.297	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-120.4	-1.8	-175.3	76	0	0	0	0	114.5	C650 M655	C650-C653 VanDerWaalsContact CB-SG 3.51Å; C653-M655 PolarHBondContact O-N 3.41Å; C653-M655 VanDerWaalsContact O-N 3.09Å
654	G	90.7	Very high	90.8	Very high	41 Å²	41	39.7 Å²	39.7	42%	0.423	22%	0.216	S	C	.	.			trans	71.7	-5.9	179.4	0	0	0	0	0	115.6	C650 T656	C650-G654 VanDerWaalsContact O-CA 3.28Å; C650-G654 WeakPolarHBondContact O-CA 3.47Å; C650-G654 PolarHBondContact O-N 3.14Å; G654-T656 PolarHBondContact O-N 3.04Å
655	M	90	Very high	90.7	Very high	54 Å²	54	40.4 Å²	40.4	27%	0.266	22%	0.219	S	C	.	.			trans	-63.9	129.4	177.2	176.6	179.1	-92	0	0	110.8	C650 C653 D700 R701	C650-M655 PolarHBondContact N-O 3.15Å; C653-M655 PolarHBondContact O-N 3.41Å; C653-M655 VanDerWaalsContact O-N 3.09Å; M655-D700 HydrophobicContact SD-CB 4.04Å; M655-R701 HydrophobicContact CB-CB 4.49Å; M655-R701 HydrophobicContact CE-CB 3.76Å; M655-R701 HydrophobicContact CE-CG 4.39Å; M655-R701 HydrophobicContact SD-CB 3.58Å; M655-R701 VanDerWaalsContact SD-CB 3.58Å
656	T	90	Very high	90.8	Very high	45 Å²	45	39.6 Å²	39.6	28%	0.276	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	130.7	171.6	-54.4	0	0	0	0	109.5	L616 T648 G654	L616-T656 HydrophobicContact CD1-CG2 4.19Å; L616-T656 HydrophobicContact CD2-CG2 4.23Å; T648-T656 CarbonylContact O-C 3.6Å; T648-T656 WeakPolarHBondContact O-CA 3.39Å; G654-T656 PolarHBondContact O-N 3.04Å
657	S	89	Confident	90.9	Very high	32 Å²	32	40.6 Å²	40.6	22%	0.224	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	138.2	169.4	-176.2	0	0	0	0	108.5	S647 T648	S647-S657 WeakPolarHBondContact CA-O 3.42Å; T648-S657 PolarHBondContact N-O 3.01Å; T648-S657 PolarHBondContact O-N 2.78Å
658	S	87.3	Confident	91.1	Very high	2 Å²	2	40.6 Å²	40.6	1%	0.014	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	138.8	-176.8	-70.4	0	0	0	0	112.2	H614 L616 S646 S647	H614-S658 PolarHBondContact ND1-O 2.87Å; L616-S658 WeakPolarHBondContact CD2-OG 3.23Å; S646-S658 CarbonylContact O-C 3.5Å; S646-S658 VanDerWaalsContact O-CA 3.31Å; S646-S658 WeakPolarHBondContact O-CA 3.34Å; S647-S658 PolarHBondContact OG-OG 3.03Å
659	K	88.4	Confident	91.1	Very high	82 Å²	82	42.3 Å²	42.3	36%	0.357	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	139.6	174.7	-170	-174.8	-179.4	-139.1	0	109.5	R645 S646 D661	R645-K659 CarbonylContact C-O 3.54Å; R645-K659 WeakPolarHBondContact CA-O 3.32Å; S646-K659 PolarHBondContact N-O 3.32Å; S646-K659 PolarHBondContact O-N 2.84Å; K659-D661 WeakPolarHBondContact CE-OD1 3.26Å; K659-D661 IonicContact NZ-OD1 2.62Å; K659-D661 PolarHBondContact NZ-OD1 3.37Å; K659-D661 IonicContact NZ-OD2 3.78Å; K659-D661 PolarHBondContact NZ-OD2 3.19Å
660	F	90	Very high	91	Very high	31 Å²	31	39 Å²	39	14%	0.136	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	121.5	172	-57.2	-73.9	0	0	0	109.2	A621 C624 Q643 C644 R645	A621-F660 HydrophobicContact CB-CD1 3.85Å; A621-F660 HydrophobicContact CB-CE1 3.36Å; A621-F660 HydrophobicContact CB-CE2 4.42Å; A621-F660 HydrophobicContact CB-CZ 3.69Å; C624-F660 HydrophobicContact CB-CB 4.4Å; C624-F660 HydrophobicContact CB-CD2 4.28Å; Q643-F660 HydrophobicContact CG-CB 4.2Å; C644-F660 CarbonylContact O-C 3.53Å; C644-F660 WeakPolarHBondContact O-CA 3.32Å; R645-F660 HydrophobicContact CB-CD1 3.96Å; R645-F660 HydrophobicContact CB-CE1 3.9Å; R645-F660 HydrophobicContact CG-CD1 4.13Å; R645-F660 HydrophobicContact CG-CE1 3.76Å; R645-F660 HydrophobicContact CG-CZ 4.49Å
661	D	89.4	Confident	90.7	Very high	44 Å²	44	40.8 Å²	40.8	24%	0.235	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	142.2	179.7	-76.4	-45.3	0	0	0	109.9	Q643 C644 K659	Q643-D661 WeakPolarHBondContact CA-O 3.22Å; C644-D661 PolarHBondContact N-O 2.99Å; C644-D661 PolarHBondContact O-N 3.36Å; K659-D661 WeakPolarHBondContact CE-OD1 3.26Å; K659-D661 IonicContact NZ-OD1 2.62Å; K659-D661 PolarHBondContact NZ-OD1 3.37Å; K659-D661 IonicContact NZ-OD2 3.78Å; K659-D661 PolarHBondContact NZ-OD2 3.19Å
662	V	92	Very high	90.3	Very high	54 Å²	54	42 Å²	42	33%	0.327	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	138.8	172.5	-177.7	0	0	0	0	108.7	W625 Y628 Q641 G642	W625-V662 HydrophobicContact CZ3-CG1 4.29Å; W625-V662 HydrophobicContact CZ3-CG2 4.13Å; Y628-V662 HydrophobicContact CD1-CG2 3.93Å; Y628-V662 HydrophobicContact CD2-CG2 3.92Å; Y628-V662 HydrophobicContact CE1-CB 4.49Å; Y628-V662 HydrophobicContact CE1-CG1 3.95Å; Y628-V662 HydrophobicContact CE1-CG2 3.82Å; Y628-V662 HydrophobicContact CE2-CG2 3.81Å; Y628-V662 HydrophobicContact CG-CG2 3.97Å; Q641-V662 HydrophobicContact CB-CG1 4.03Å; Q641-V662 HydrophobicContact CG-CG1 4.33Å; G642-V662 VanDerWaalsContact O-CA 3.32Å; G642-V662 WeakPolarHBondContact O-CA 3.48Å; G642-V662 WeakPolarHBondContact O-CG1 3.45Å
663	Y	89.5	Confident	89.8	Confident	28 Å²	28	44 Å²	44	11%	0.11	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	160.6	174.5	72.3	-91.3	0	0	0	110.1	Q641 G642 C644 F666 L714 R716 A717 P718	Q641-Y663 VanDerWaalsContact CA-O 3.28Å; Q641-Y663 WeakPolarHBondContact CA-O 3.43Å; G642-Y663 VanDerWaalsContact CA-CZ 3.48Å; G642-Y663 WeakPolarHBondContact CA-OH 3.05Å; G642-Y663 PolarHBondContact N-O 2.89Å; G642-Y663 WeakPolarHBondContact O-CD1 3.33Å; G642-Y663 PolarHBondContact O-N 3.37Å; C644-Y663 HydrophobicContact CB-CD1 4.07Å; C644-Y663 WeakPolarHBondContact SG-CD1 3.33Å; C644-Y663 VanDerWaalsContact SG-CE1 3.59Å; Y663-F666 HydrophobicContact CD1-CZ 4.2Å; Y663-F666 AromaticContact CD2-CD2 3.99Å; Y663-F666 HydrophobicContact CD2-CD2 3.99Å; Y663-F666 HydrophobicContact CD2-CE1 4.44Å; Y663-F666 AromaticContact CD2-CE2 3.2Å; Y663-F666 HydrophobicContact CD2-CE2 3.2Å; Y663-F666 AromaticContact CD2-CZ 3.46Å; Y663-F666 HydrophobicContact CD2-CZ 3.46Å; Y663-F666 VanDerWaalsContact CD2-CZ 3.46Å; Y663-F666 HydrophobicContact CE1-CE2 4.49Å; Y663-F666 HydrophobicContact CE1-CZ 4.04Å; Y663-F666 HydrophobicContact CE2-CD2 4.09Å; Y663-F666 AromaticContact CE2-CE2 3.02Å; Y663-F666 HydrophobicContact CE2-CE2 3.02Å; Y663-F666 AromaticContact CE2-CZ 3.4Å; Y663-F666 HydrophobicContact CE2-CZ 3.4Å; Y663-F666 HydrophobicContact CG-CE2 4.12Å; Y663-F666 AromaticContact CG-CZ 3.93Å; Y663-F666 HydrophobicContact CG-CZ 3.93Å; Y663-F666 AromaticContact CZ-CE2 3.73Å; Y663-F666 AromaticContact CZ-CZ 3.67Å; Y663-L714 HydrophobicContact CD1-CD1 4.36Å; Y663-L714 HydrophobicContact CE1-CD1 3.21Å; Y663-L714 WeakPolarHBondContact OH-CD1 3.35Å; Y663-R716 PolarHBondContact OH-O 2.9Å; Y663-A717 VanDerWaalsContact OH-CA 3.32Å; Y663-A717 WeakPolarHBondContact OH-CA 3.12Å; Y663-P718 HydrophobicContact CE2-CG 4.05Å; Y663-P718 WeakPolarHBondContact OH-CD 3.45Å
664	M	89.9	Confident	89.5	Confident	24 Å²	24	48.2 Å²	48.2	12%	0.118	27%	0.265	C	S	.	.	S	Bend	trans	-135	-35.7	177.9	-176.3	-178.5	71.4	0	0	112.4	I586 F589 F640 Q641	I586-M664 HydrophobicContact CB-CE 4.3Å; I586-M664 HydrophobicContact CG1-CE 3.86Å; I586-M664 HydrophobicContact CG2-CE 4.45Å; F589-M664 HydrophobicContact CB-CE 3.97Å; F589-M664 HydrophobicContact CB-SD 3.55Å; F589-M664 VanDerWaalsContact CB-SD 3.55Å; F589-M664 HydrophobicContact CD2-CE 3.72Å; F589-M664 HydrophobicContact CD2-CG 4.26Å; F589-M664 HydrophobicContact CD2-SD 3.45Å; F589-M664 WeakPolarHBondContact CD2-SD 3.34Å; F589-M664 HydrophobicContact CE2-SD 4.42Å; F589-M664 HydrophobicContact CG-CE 4.37Å; F589-M664 HydrophobicContact CG-SD 3.87Å; F640-M664 HydrophobicContact CB-CG 4.02Å; F640-M664 WeakPolarHBondContact O-CA 3.27Å; Q641-M664 HydrophobicContact CG-CB 4.37Å
665	N	87.7	Confident	89.6	Confident	28 Å²	28	50.3 Å²	50.3	15%	0.15	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	125.8	-178.2	-179.3	23.7	0	0	0	111	Q582 S667 H724	Q582-N665 PolarHBondContact NE2-ND2 3.12Å; N665-S667 PolarHBondContact O-N 2.56Å; N665-H724 WeakPolarHBondContact ND2-CB 3.44Å; N665-H724 WeakPolarHBondContact OD1-CB 3.48Å; N665-H724 PolarHBondContact OD1-N 3.02Å
666	F	92.6	Very high	89.8	Confident	6 Å²	6	48 Å²	48	3%	0.026	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	96.4	174.5	-74	-92.5	0	0	0	110.5	Y663 L668 F685 L714 F721 L722 H724 I755	Y663-F666 HydrophobicContact CD1-CZ 4.2Å; Y663-F666 AromaticContact CD2-CD2 3.99Å; Y663-F666 HydrophobicContact CD2-CD2 3.99Å; Y663-F666 HydrophobicContact CD2-CE1 4.44Å; Y663-F666 AromaticContact CD2-CE2 3.2Å; Y663-F666 HydrophobicContact CD2-CE2 3.2Å; Y663-F666 AromaticContact CD2-CZ 3.46Å; Y663-F666 HydrophobicContact CD2-CZ 3.46Å; Y663-F666 VanDerWaalsContact CD2-CZ 3.46Å; Y663-F666 HydrophobicContact CE1-CE2 4.49Å; Y663-F666 HydrophobicContact CE1-CZ 4.04Å; Y663-F666 HydrophobicContact CE2-CD2 4.09Å; Y663-F666 AromaticContact CE2-CE2 3.02Å; Y663-F666 HydrophobicContact CE2-CE2 3.02Å; Y663-F666 AromaticContact CE2-CZ 3.4Å; Y663-F666 HydrophobicContact CE2-CZ 3.4Å; Y663-F666 HydrophobicContact CG-CE2 4.12Å; Y663-F666 AromaticContact CG-CZ 3.93Å; Y663-F666 HydrophobicContact CG-CZ 3.93Å; Y663-F666 AromaticContact CZ-CE2 3.73Å; Y663-F666 AromaticContact CZ-CZ 3.67Å; F666-L668 HydrophobicContact CB-CD2 4.2Å; F666-L668 HydrophobicContact CB-CG 4.45Å; F666-L668 PolarHBondContact O-N 3.39Å; F666-F685 HydrophobicContact CD1-CD1 4.49Å; F666-F685 HydrophobicContact CD1-CE1 4.01Å; F666-F685 HydrophobicContact CD1-CE2 4.31Å; F666-F685 AromaticContact CD1-CZ 3.91Å; F666-F685 HydrophobicContact CD1-CZ 3.91Å; F666-F685 AromaticContact CE1-CE1 3.83Å; F666-F685 HydrophobicContact CE1-CE1 3.83Å; F666-F685 AromaticContact CE1-CZ 3.88Å; F666-F685 HydrophobicContact CE1-CZ 3.88Å; F666-L714 HydrophobicContact CZ-CD1 4.32Å; F666-L714 HydrophobicContact CZ-CD2 4.34Å; F666-F721 HydrophobicContact CB-CZ 4.39Å; F666-F721 HydrophobicContact CD1-CE2 4.41Å; F666-F721 AromaticContact CD2-CD2 3.76Å; F666-F721 HydrophobicContact CD2-CD2 3.76Å; F666-F721 AromaticContact CD2-CE2 3.18Å; F666-F721 HydrophobicContact CD2-CE2 3.18Å; F666-F721 AromaticContact CD2-CZ 3.65Å; F666-F721 HydrophobicContact CD2-CZ 3.65Å; F666-F721 HydrophobicContact CE1-CE2 4.35Å; F666-F721 AromaticContact CE2-CD2 3.56Å; F666-F721 HydrophobicContact CE2-CD2 3.56Å; F666-F721 AromaticContact CE2-CE2 3.05Å; F666-F721 HydrophobicContact CE2-CE2 3.05Å; F666-F721 AromaticContact CE2-CZ 3.95Å; F666-F721 HydrophobicContact CE2-CZ 3.95Å; F666-F721 AromaticContact CG-CE2 3.88Å; F666-F721 HydrophobicContact CG-CE2 3.88Å; F666-F721 AromaticContact CG-CZ 3.94Å; F666-F721 HydrophobicContact CG-CZ 3.94Å; F666-F721 HydrophobicContact CZ-CD2 4.49Å; F666-F721 AromaticContact CZ-CE2 3.72Å; F666-F721 HydrophobicContact CZ-CE2 3.72Å; F666-L722 PolarHBondContact N-O 3.28Å; F666-H724 PolarHBondContact O-N 2.89Å; F666-I755 HydrophobicContact CE1-CD1 4.15Å; F666-I755 HydrophobicContact CZ-CD1 4.4Å
667	S	93.8	Very high	90.1	Very high	35 Å²	35	48 Å²	48	25%	0.245	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	96.9	174.7	-58	0	0	0	0	110.7	N665 H724 K726	N665-S667 PolarHBondContact O-N 2.56Å; S667-H724 CarbonylContact C-O 3.51Å; S667-H724 VanDerWaalsContact CA-O 3.29Å; S667-H724 WeakPolarHBondContact CA-O 3.42Å; S667-H724 WeakPolarHBondContact CB-ND1 3.49Å; S667-H724 PolarHBondContact OG-ND1 3.48Å; S667-K726 WeakPolarHBondContact O-CE 3.22Å
668	L	94.4	Very high	90.4	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	141.7	-174.4	-56.3	-178.3	0	0	0	111.9	F666 L678 L682 F685 V723 H724 K726	F666-L668 HydrophobicContact CB-CD2 4.2Å; F666-L668 HydrophobicContact CB-CG 4.45Å; F666-L668 PolarHBondContact O-N 3.39Å; L668-L678 HydrophobicContact CD1-CD1 3.62Å; L668-L682 HydrophobicContact CD1-CD2 3.66Å; L668-L682 HydrophobicContact CD1-CG 3.87Å; L668-L682 HydrophobicContact CD2-CD2 4.1Å; L668-F685 HydrophobicContact CD2-CB 3.7Å; L668-F685 HydrophobicContact CD2-CD2 4.17Å; L668-F685 HydrophobicContact CD2-CG 3.99Å; L668-V723 HydrophobicContact CD1-CG1 3.6Å; L668-V723 HydrophobicContact CG-CG1 4.01Å; L668-H724 PolarHBondContact N-O 3.17Å; L668-K726 VanDerWaalsContact O-CB 3.32Å; L668-K726 WeakPolarHBondContact O-CB 3.28Å; L668-K726 WeakPolarHBondContact O-CG 3.36Å; L668-K726 PolarHBondContact O-N 3.21Å
669	P	91.8	Very high	90.6	Very high	52 Å²	52	49.3 Å²	49.3	34%	0.338	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	142.1	173.8	30.7	-33.8	0	0	0	110.7	L684	P669-L684 HydrophobicContact CG-CB 4.06Å; P669-L684 HydrophobicContact CG-CD1 4.36Å
670	V	91.6	Very high	90.9	Very high	11 Å²	11	49.4 Å²	49.4	7%	0.067	27%	0.265	C	S	.	.			trans	-110.2	127.4	173.2	-176.4	0	0	0	0	108.4	L725 R727 I738 T740 V742	V670-L725 HydrophobicContact CG2-CB 3.82Å; V670-L725 HydrophobicContact CG2-CD2 4.33Å; V670-R727 HydrophobicContact CG2-CG 4.38Å; V670-I738 HydrophobicContact CB-CG2 4.26Å; V670-I738 HydrophobicContact CG1-CG2 3.74Å; V670-T740 HydrophobicContact CG1-CG2 4.49Å; V670-V742 HydrophobicContact CG1-CG2 3.66Å; V670-V742 HydrophobicContact CG2-CG2 4.32Å
671	P	87.6	Confident	91	Very high	40 Å²	40	48 Å²	48	26%	0.26	26%	0.258	S	S	.	.			trans	-61.6	143.7	173.8	-23.4	35.4	0	0	0	112.1	S676 I738 T740	P671-S676 WeakPolarHBondContact CD-OG 3.48Å; P671-I738 WeakPolarHBondContact O-CG2 3.4Å; P671-T740 WeakPolarHBondContact O-CB 3.11Å; P671-T740 VanDerWaalsContact O-CG2 3.31Å; P671-T740 WeakPolarHBondContact O-CG2 3.44Å; P671-T740 PolarHBondContact O-OG1 2.91Å
672	I	85.2	Confident	91.2	Very high	113 Å²	113	45.9 Å²	45.9	58%	0.579	25%	0.247	S	C	*	.	S	Bend	trans	-79.4	-37.2	-174.3	-59.3	174.9	0	0	0	112.3	I738 T740	I672-I738 HydrophobicContact CG1-CD1 3.92Å; I672-I738 HydrophobicContact CG1-CG1 4.27Å; I672-T740 PolarHBondContact O-OG1 3.08Å
673	D	81.1	Confident	91.2	Very high	158 Å²	158	45.5 Å²	45.5	85%	0.845	25%	0.25	S	C	*	.	S	Bend	trans	-117.8	-5.4	-166.6	-57.1	-51.5	0	0	0	115.1
674	K	88.5	Confident	91.1	Very high	132 Å²	132	48.3 Å²	48.3	57%	0.574	27%	0.266	S	S	*	.	S	Bend	trans	-129.9	124.8	-174.5	-168.2	-162.5	169.8	-166.8	0	110.7	S676 T740	K674-S676 PolarHBondContact O-N 3.33Å; K674-T740 VanDerWaalsContact C-CG2 3.49Å; K674-T740 WeakPolarHBondContact O-CG2 3.24Å
675	P	92.3	Very high	91	Very high	86 Å²	86	50 Å²	50	56%	0.558	27%	0.273	S	S	*	.			trans	-49.5	133.8	166.2	-24.7	33.8	0	0	0	110.4	F741	P675-F741 WeakPolarHBondContact CA-O 3.41Å
676	S	94	Very high	91.1	Very high	6 Å²	6	49.1 Å²	49.1	4%	0.042	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	166.8	-176.4	66.7	0	0	0	0	111	P671 K674 E680 F741 V742 D743	P671-S676 WeakPolarHBondContact CD-OG 3.48Å; K674-S676 PolarHBondContact O-N 3.33Å; S676-E680 WeakPolarHBondContact CA-OE2 3.48Å; S676-E680 VanDerWaalsContact CB-OE2 3.26Å; S676-E680 WeakPolarHBondContact CB-OE2 3.46Å; S676-F741 PolarHBondContact N-O 3.48Å; S676-F741 VanDerWaalsContact N-O 3.13Å; S676-V742 CarbonylContact O-C 2.87Å; S676-V742 VanDerWaalsContact O-CA 3.25Å; S676-V742 WeakPolarHBondContact O-CA 3.44Å; S676-D743 PolarHBondContact O-N 2.9Å
677	T	95	Very high	91	Very high	44 Å²	44	56 Å²	56	27%	0.27	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	159.8	169.4	63.7	0	0	0	0	110.8	Q679 E680 S681 D743	T677-Q679 PolarHBondContact O-N 3.42Å; T677-E680 PolarHBondContact N-OE2 2.92Å; T677-E680 PolarHBondContact O-N 2.85Å; T677-E680 VanDerWaalsContact OG1-CG 3.3Å; T677-E680 WeakPolarHBondContact OG1-CG 3.25Å; T677-E680 PolarHBondContact OG1-N 3.13Å; T677-S681 PolarHBondContact O-N 3.12Å; T677-S681 VanDerWaalsContact O-N 3.13Å; T677-S681 PolarHBondContact O-OG 3.31Å; T677-S681 VanDerWaalsContact O-OG 3.11Å; T677-D743 CarbonylContact C-O 3.57Å; T677-D743 WeakPolarHBondContact CA-O 3.32Å; T677-D743 HydrophobicContact CG2-CB 4.34Å
678	L	95.4	Very high	90.9	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-59.6	-36.8	169.9	177.1	60.9	0	0	0	110.8	L668 S681 L682 V723 L725 V742 D743 F744 L750 L820 Y822	L668-L678 HydrophobicContact CD1-CD1 3.62Å; L678-S681 WeakPolarHBondContact O-CB 3.13Å; L678-S681 PolarHBondContact O-N 3.42Å; L678-S681 VanDerWaalsContact O-N 3.16Å; L678-L682 HydrophobicContact CD1-CG 4.46Å; L678-L682 HydrophobicContact CG-CD1 4.14Å; L678-L682 HydrophobicContact CG-CG 4.48Å; L678-L682 WeakPolarHBondContact O-CG 3.41Å; L678-L682 PolarHBondContact O-N 3.48Å; L678-V723 HydrophobicContact CD1-CG1 3.9Å; L678-V723 HydrophobicContact CD1-CG2 4.49Å; L678-L725 HydrophobicContact CD1-CD2 4.44Å; L678-V742 HydrophobicContact CB-CG1 4.49Å; L678-D743 PolarHBondContact N-O 2.87Å; L678-F744 HydrophobicContact CB-CB 3.86Å; L678-F744 HydrophobicContact CD2-CB 3.88Å; L678-F744 HydrophobicContact CG-CB 4.48Å; L678-L750 HydrophobicContact CD2-CD1 4.12Å; L678-L750 HydrophobicContact CD2-CD2 3.83Å; L678-L820 HydrophobicContact CD1-CD1 4.31Å; L678-L820 HydrophobicContact CD2-CD1 4Å; L678-Y822 HydrophobicContact CD2-CE2 3.94Å; L678-Y822 VanDerWaalsContact CD2-OH 3.26Å; L678-Y822 WeakPolarHBondContact CD2-OH 3.5Å
679	Q	93.1	Very high	90.8	Very high	61 Å²	61	62.6 Å²	62.6	29%	0.285	33%	0.329	S	S	.	.	H	α-helix	trans	-63.1	-41.3	176.9	-72.1	77.9	-2.4	0	0	111.9	T677 S681 L682 A683 L750 L754	T677-Q679 PolarHBondContact O-N 3.42Å; Q679-S681 VanDerWaalsContact C-N 3.32Å; Q679-L682 PolarHBondContact O-N 3.16Å; Q679-A683 WeakPolarHBondContact O-CB 3.46Å; Q679-A683 PolarHBondContact O-N 3.36Å; Q679-L750 HydrophobicContact CG-CD1 4.49Å; Q679-L754 HydrophobicContact CB-CD1 4.32Å
680	E	93.3	Very high	90.8	Very high	85 Å²	85	67 Å²	67	40%	0.397	34%	0.34	S	S	.	.	H	α-helix	trans	-62.4	-40.7	172.2	-75.5	171.7	153.5	0	0	111.4	S676 T677 A683 L684	S676-E680 WeakPolarHBondContact CA-OE2 3.48Å; S676-E680 VanDerWaalsContact CB-OE2 3.26Å; S676-E680 WeakPolarHBondContact CB-OE2 3.46Å; T677-E680 PolarHBondContact N-OE2 2.92Å; T677-E680 PolarHBondContact O-N 2.85Å; T677-E680 VanDerWaalsContact OG1-CG 3.3Å; T677-E680 WeakPolarHBondContact OG1-CG 3.25Å; T677-E680 PolarHBondContact OG1-N 3.13Å; E680-A683 PolarHBondContact O-N 2.82Å; E680-L684 WeakPolarHBondContact O-CG 3.39Å; E680-L684 PolarHBondContact O-N 3.34Å
681	S	93.4	Very high	90.8	Very high	0 Å²	0	67.6 Å²	67.6	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-66.3	-38.1	177.9	-52.7	0	0	0	0	112	T677 L678 Q679 L684 F685	T677-S681 PolarHBondContact O-N 3.12Å; T677-S681 VanDerWaalsContact O-N 3.13Å; T677-S681 PolarHBondContact O-OG 3.31Å; T677-S681 VanDerWaalsContact O-OG 3.11Å; L678-S681 WeakPolarHBondContact O-CB 3.13Å; L678-S681 PolarHBondContact O-N 3.42Å; L678-S681 VanDerWaalsContact O-N 3.16Å; Q679-S681 VanDerWaalsContact C-N 3.32Å; S681-L684 PolarHBondContact O-N 2.83Å; S681-F685 PolarHBondContact O-N 2.86Å; S681-F685 VanDerWaalsContact O-N 3.12Å
682	L	93	Very high	90.9	Very high	1 Å²	1	67.4 Å²	67.4	1%	0.005	34%	0.342	C	S	.	.	H	α-helix	trans	-66.4	-40.2	172.1	-73	168.2	0	0	0	111.8	L668 L678 Q679 L684 F685 A686 F721 L750 L752 I755	L668-L682 HydrophobicContact CD1-CD2 3.66Å; L668-L682 HydrophobicContact CD1-CG 3.87Å; L668-L682 HydrophobicContact CD2-CD2 4.1Å; L678-L682 HydrophobicContact CD1-CG 4.46Å; L678-L682 HydrophobicContact CG-CD1 4.14Å; L678-L682 HydrophobicContact CG-CG 4.48Å; L678-L682 WeakPolarHBondContact O-CG 3.41Å; L678-L682 PolarHBondContact O-N 3.48Å; Q679-L682 PolarHBondContact O-N 3.16Å; L682-L684 VanDerWaalsContact C-N 3.34Å; L682-F685 WeakPolarHBondContact O-CB 3.45Å; L682-F685 PolarHBondContact O-N 2.92Å; L682-A686 PolarHBondContact O-N 2.85Å; L682-F721 HydrophobicContact CD2-CE1 4.48Å; L682-F721 HydrophobicContact CD2-CZ 4.06Å; L682-L750 HydrophobicContact CD1-CD1 4.11Å; L682-L750 HydrophobicContact CD1-CD2 4.44Å; L682-L752 HydrophobicContact CD1-CD2 4.36Å; L682-I755 HydrophobicContact CB-CG2 3.93Å; L682-I755 HydrophobicContact CD2-CD1 4.13Å; L682-I755 HydrophobicContact CD2-CG2 4.21Å; L682-I755 WeakPolarHBondContact O-CG2 3.23Å
683	A	91	Very high	90.7	Very high	46 Å²	46	68 Å²	68	38%	0.38	34%	0.343	S	S	.	.	H	α-helix	trans	-64.9	-37.9	176	0	0	0	0	0	111.9	Q679 E680 F685 A686 K687	Q679-A683 WeakPolarHBondContact O-CB 3.46Å; Q679-A683 PolarHBondContact O-N 3.36Å; E680-A683 PolarHBondContact O-N 2.82Å; A683-F685 VanDerWaalsContact C-N 3.33Å; A683-A686 CarbonylContact O-C 3.33Å; A683-A686 PolarHBondContact O-N 3.46Å; A683-K687 PolarHBondContact O-N 3.14Å
684	L	89.3	Confident	90.7	Very high	86 Å²	86	68.3 Å²	68.3	45%	0.45	34%	0.339	S	S	.	.	H	α-helix	trans	-63	-39.5	172.3	-73.3	173	0	0	0	112	P669 E680 S681 L682 A686 K687	P669-L684 HydrophobicContact CG-CB 4.06Å; P669-L684 HydrophobicContact CG-CD1 4.36Å; E680-L684 WeakPolarHBondContact O-CG 3.39Å; E680-L684 PolarHBondContact O-N 3.34Å; S681-L684 PolarHBondContact O-N 2.83Å; L682-L684 VanDerWaalsContact C-N 3.34Å; L684-A686 VanDerWaalsContact C-N 3.34Å; L684-K687 WeakPolarHBondContact O-CB 3.44Å; L684-K687 PolarHBondContact O-N 3.08Å
685	F	87.2	Confident	90.2	Very high	61 Å²	61	65 Å²	65	27%	0.268	33%	0.329	S	S	.	.	H	α-helix	trans	-63.2	-38.8	173.8	173	-90.8	0	0	0	112.4	F666 L668 S681 L682 A683 K687 I755	F666-F685 HydrophobicContact CD1-CD1 4.49Å; F666-F685 HydrophobicContact CD1-CE1 4.01Å; F666-F685 HydrophobicContact CD1-CE2 4.31Å; F666-F685 AromaticContact CD1-CZ 3.91Å; F666-F685 HydrophobicContact CD1-CZ 3.91Å; F666-F685 AromaticContact CE1-CE1 3.83Å; F666-F685 HydrophobicContact CE1-CE1 3.83Å; F666-F685 AromaticContact CE1-CZ 3.88Å; F666-F685 HydrophobicContact CE1-CZ 3.88Å; L668-F685 HydrophobicContact CD2-CB 3.7Å; L668-F685 HydrophobicContact CD2-CD2 4.17Å; L668-F685 HydrophobicContact CD2-CG 3.99Å; S681-F685 PolarHBondContact O-N 2.86Å; S681-F685 VanDerWaalsContact O-N 3.12Å; L682-F685 WeakPolarHBondContact O-CB 3.45Å; L682-F685 PolarHBondContact O-N 2.92Å; A683-F685 VanDerWaalsContact C-N 3.33Å; F685-K687 VanDerWaalsContact C-N 3.31Å; F685-I755 HydrophobicContact CD1-CG2 4.36Å
686	A	88.7	Confident	89.1	Confident	9 Å²	9	61.4 Å²	61.4	7%	0.074	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-2.8	177.1	0	0	0	0	0	114.4	L682 A683 L684 R713 I755	L682-A686 PolarHBondContact O-N 2.85Å; A683-A686 CarbonylContact O-C 3.33Å; A683-A686 PolarHBondContact O-N 3.46Å; L684-A686 VanDerWaalsContact C-N 3.34Å; A686-R713 PolarHBondContact O-NH1 2.87Å; A686-R713 PolarHBondContact O-NH2 2.96Å; A686-I755 HydrophobicContact CB-CB 4.44Å; A686-I755 HydrophobicContact CB-CG2 3.96Å
687	K	91.2	Very high	88.7	Confident	151 Å²	151	63.5 Å²	63.5	66%	0.657	32%	0.316	S	S	*	.	S	Bend	trans	-65.3	139.3	179.8	-173	179	176.8	-178.1	0	110.5	A683 L684 F685 E689	A683-K687 PolarHBondContact O-N 3.14Å; L684-K687 WeakPolarHBondContact O-CB 3.44Å; L684-K687 PolarHBondContact O-N 3.08Å; F685-K687 VanDerWaalsContact C-N 3.31Å; K687-E689 PolarHBondContact O-N 2.86Å
688	D	91.7	Very high	88.5	Confident	86 Å²	86	68.8 Å²	68.8	46%	0.46	33%	0.331	S	S	.	.	P	Polyproline II helix	trans	-63.4	127.4	176.1	-66	-1.3	0	0	0	110.6	V709 H711 R713	D688-V709 HydrophobicContact CB-CG1 3.77Å; D688-H711 WeakPolarHBondContact OD1-CB 3.4Å; D688-R713 IonicContact OD1-NH2 2.86Å; D688-R713 PolarHBondContact OD1-NH2 3Å
689	E	91.6	Very high	88.2	Confident	87 Å²	87	68.8 Å²	68.8	41%	0.407	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	123.5	178.2	-175.3	-173.9	-165.1	0	0	109.9	K687 L691 V709 R710	K687-E689 PolarHBondContact O-N 2.86Å; E689-L691 HydrophobicContact CG-CD2 4.29Å; E689-V709 WeakPolarHBondContact O-CA 3.45Å; E689-R710 PolarHBondContact N-O 3.39Å; E689-R710 PolarHBondContact O-N 3.17Å; E689-R710 IonicContact OE1-NH2 3.41Å; E689-R710 IonicContact OE2-CZ 3.88Å; E689-R710 IonicContact OE2-NE 2.99Å; E689-R710 PolarHBondContact OE2-NE 2.8Å; E689-R710 IonicContact OE2-NH2 3.41Å; E689-R710 PolarHBondContact OE2-NH2 2.57Å
690	Y	93	Very high	87.9	Confident	144 Å²	144	69.9 Å²	69.9	57%	0.565	34%	0.338	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.8	115	174.7	-178.5	-97.7	0	0	0	110.4	L651 P707 V709	L651-Y690 HydrophobicContact CD1-CD2 4.1Å; L651-Y690 HydrophobicContact CD1-CE2 3.49Å; L651-Y690 VanDerWaalsContact CD1-CE2 3.49Å; Y690-P707 HydrophobicContact CE2-CB 4.47Å; Y690-V709 HydrophobicContact CD2-CG2 4.36Å
691	L	91.8	Very high	87.7	Confident	24 Å²	24	73.6 Å²	73.6	13%	0.126	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	106.6	172	-56.1	177.8	0	0	0	108.2	T648 E689 W697 P707 A708 R710	T648-L691 HydrophobicContact CG2-CD1 4.16Å; E689-L691 HydrophobicContact CG-CD2 4.29Å; L691-W697 HydrophobicContact CD1-CB 4.05Å; L691-P707 VanDerWaalsContact O-CA 3.22Å; L691-P707 WeakPolarHBondContact O-CA 3.4Å; L691-A708 HydrophobicContact CB-CB 4.37Å; L691-A708 WeakPolarHBondContact CB-O 3.12Å; L691-A708 HydrophobicContact CD1-CB 4.35Å; L691-A708 PolarHBondContact N-O 3.39Å; L691-A708 PolarHBondContact O-N 2.99Å; L691-R710 HydrophobicContact CD1-CB 4.17Å; L691-R710 HydrophobicContact CG-CB 4.46Å
692	S	88.2	Confident	87.6	Confident	35 Å²	35	75.1 Å²	75.1	25%	0.245	36%	0.359	C	S	.	.			trans	-65.2	167.5	177.5	73.3	0	0	0	0	112	E694 G696	S692-E694 PolarHBondContact O-N 2.8Å; S692-G696 VanDerWaalsContact O-CA 3.32Å; S692-G696 WeakPolarHBondContact O-CA 3.46Å; S692-G696 PolarHBondContact O-N 2.8Å
693	E	82.3	Confident	87.4	Confident	126 Å²	126	81.1 Å²	81.1	59%	0.589	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-30.7	177.1	-170.1	164.2	-160	0	0	112.8	G696	E693-G696 WeakPolarHBondContact O-CA 3.31Å; E693-G696 PolarHBondContact O-N 2.76Å
694	E	80.6	Confident	87.4	Confident	165 Å²	165	83 Å²	83	77%	0.771	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-44.6	-179.3	-62.5	179.6	177.2	0	0	113	S692	S692-E694 PolarHBondContact O-N 2.8Å
695	V	78.5	Confident	87.5	Confident	61 Å²	61	83.5 Å²	83.5	37%	0.37	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-53.2	169.7	-178.2	0	0	0	0	107.6	Q276 K705	Q276-V695 PolarHBondContact NE2-O 2.69Å; V695-K705 PolarHBondContact O-NZ 2.92Å
696	G	68.9	Low	87.7	Confident	12 Å²	12	83.3 Å²	83.3	12%	0.124	38%	0.384	C	S	.	.			trans	65.1	107.8	165.6	0	0	0	0	0	114.5	S692 E693	S692-G696 VanDerWaalsContact O-CA 3.32Å; S692-G696 WeakPolarHBondContact O-CA 3.46Å; S692-G696 PolarHBondContact O-N 2.8Å; E693-G696 WeakPolarHBondContact O-CA 3.31Å; E693-G696 PolarHBondContact O-N 2.76Å
697	W	85.2	Confident	88	Confident	49 Å²	49	84.1 Å²	84.1	19%	0.186	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	127.8	169.1	172	77.1	0	0	0	110.3	T648 C650 L691 C699 K705 R706 A708	T648-W697 HydrophobicContact CG2-CB 4.46Å; T648-W697 HydrophobicContact CG2-CD2 3.61Å; T648-W697 HydrophobicContact CG2-CE3 4.07Å; T648-W697 HydrophobicContact CG2-CG 3.78Å; T648-W697 HydrophobicContact CG2-CZ2 4.21Å; C650-W697 HydrophobicContact CB-CH2 4.44Å; C650-W697 HydrophobicContact CB-CZ3 3.68Å; L691-W697 HydrophobicContact CD1-CB 4.05Å; W697-C699 HydrophobicContact CE3-CB 3.88Å; W697-C699 HydrophobicContact CH2-CB 3.96Å; W697-C699 VanDerWaalsContact CZ3-CA 3.49Å; W697-C699 HydrophobicContact CZ3-CB 3.42Å; W697-C699 VanDerWaalsContact CZ3-CB 3.42Å; W697-C699 PolarHBondContact O-N 3.39Å; W697-K705 CarbonylContact O-C 3.57Å; W697-K705 WeakPolarHBondContact O-CA 3.46Å; W697-R706 PolarHBondContact N-O 3.28Å; W697-R706 PolarHBondContact O-N 3.41Å; W697-A708 HydrophobicContact CB-CB 4.04Å; W697-A708 HydrophobicContact CD2-CB 4.24Å; W697-A708 HydrophobicContact CE3-CB 3.75Å; W697-A708 HydrophobicContact CG-CB 4.4Å; W697-A708 HydrophobicContact CZ3-CB 4.49Å
698	R	90.9	Very high	88.1	Confident	156 Å²	156	77 Å²	77	59%	0.589	36%	0.357	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.2	103.7	178.7	-171.8	-179.8	-170.1	179.8	3	109.5	K703	R698-K703 PolarHBondContact NE-O 3.15Å; R698-K703 PolarHBondContact NH2-O 3.27Å
699	C	89.8	Confident	88.2	Confident	0 Å²	0	74.2 Å²	74.2	0%	0	34%	0.344	C	S	.	.			trans	-68	135	-177.4	175.5	0	0	0	0	112.2	C650 W697 R701 C702 K703 I704 R706	C650-C699 VanDerWaalsContact SG-SG 3.68Å; W697-C699 HydrophobicContact CE3-CB 3.88Å; W697-C699 HydrophobicContact CH2-CB 3.96Å; W697-C699 VanDerWaalsContact CZ3-CA 3.49Å; W697-C699 HydrophobicContact CZ3-CB 3.42Å; W697-C699 VanDerWaalsContact CZ3-CB 3.42Å; W697-C699 PolarHBondContact O-N 3.39Å; C699-R701 VanDerWaalsContact C-N 3.29Å; C699-R701 PolarHBondContact O-N 2.74Å; C699-R701 PolarHBondContact SG-N 3.3Å; C699-R701 VanDerWaalsContact SG-N 3.43Å; C699-C702 HydrophobicContact CB-CB 3.93Å; C699-C702 PolarHBondContact O-N 2.89Å; C699-C702 PolarHBondContact SG-N 3.22Å; C699-K703 VanDerWaalsContact O-CA 3.25Å; C699-K703 WeakPolarHBondContact O-CA 3.36Å; C699-K703 PolarHBondContact O-N 2.81Å; C699-I704 PolarHBondContact N-O 3.38Å; C699-I704 VanDerWaalsContact N-O 3.15Å; C699-R706 HydrophobicContact CB-CG 4.45Å
700	D	86.5	Confident	88.3	Confident	83 Å²	83	74.1 Å²	74.1	44%	0.444	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-28.2	178.9	-70.6	-43.8	0	0	0	114	M655 K703	M655-D700 HydrophobicContact SD-CB 4.04Å; D700-K703 VanDerWaalsContact O-CD 3.23Å; D700-K703 WeakPolarHBondContact O-CD 3.49Å; D700-K703 WeakPolarHBondContact O-CE 3.29Å; D700-K703 PolarHBondContact O-NZ 3.06Å
701	R	88.6	Confident	88.2	Confident	163 Å²	163	69.4 Å²	69.4	62%	0.615	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-47.4	174.1	-171.8	-177.6	-67.1	-94.3	3.7	112.2	M655 C699 K703	M655-R701 HydrophobicContact CB-CB 4.49Å; M655-R701 HydrophobicContact CE-CB 3.76Å; M655-R701 HydrophobicContact CE-CG 4.39Å; M655-R701 HydrophobicContact SD-CB 3.58Å; M655-R701 VanDerWaalsContact SD-CB 3.58Å; C699-R701 VanDerWaalsContact C-N 3.29Å; C699-R701 PolarHBondContact O-N 2.74Å; C699-R701 PolarHBondContact SG-N 3.3Å; C699-R701 VanDerWaalsContact SG-N 3.43Å; R701-K703 VanDerWaalsContact C-N 3.33Å
702	C	90.6	Very high	88.1	Confident	33 Å²	33	70.3 Å²	70.3	22%	0.223	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-22.2	-176.8	-54.3	0	0	0	0	112.9	C699 I704 R706	C699-C702 HydrophobicContact CB-CB 3.93Å; C699-C702 PolarHBondContact O-N 2.89Å; C699-C702 PolarHBondContact SG-N 3.22Å; C702-I704 HydrophobicContact CB-CG1 3.84Å; C702-I704 PolarHBondContact O-N 3.02Å; C702-R706 HydrophobicContact CB-CG 4.21Å
703	K	90	Very high	88.2	Confident	126 Å²	126	71.1 Å²	71.1	55%	0.548	33%	0.325	S	S	.	.			trans	57.9	9.3	-174.1	-58.9	-55.7	-169.7	-162.4	0	115.9	R698 C699 D700 R701	R698-K703 PolarHBondContact NE-O 3.15Å; R698-K703 PolarHBondContact NH2-O 3.27Å; C699-K703 VanDerWaalsContact O-CA 3.25Å; C699-K703 WeakPolarHBondContact O-CA 3.36Å; C699-K703 PolarHBondContact O-N 2.81Å; D700-K703 VanDerWaalsContact O-CD 3.23Å; D700-K703 WeakPolarHBondContact O-CD 3.49Å; D700-K703 WeakPolarHBondContact O-CE 3.29Å; D700-K703 PolarHBondContact O-NZ 3.06Å; R701-K703 VanDerWaalsContact C-N 3.33Å
704	I	90.3	Very high	88.6	Confident	85 Å²	85	65.1 Å²	65.1	44%	0.436	30%	0.297	S	S	.	.	S	Bend	trans	-125.4	160.6	177.1	59.4	176.6	0	0	0	110.2	C699 C702 R706	C699-I704 PolarHBondContact N-O 3.38Å; C699-I704 VanDerWaalsContact N-O 3.15Å; C702-I704 HydrophobicContact CB-CG1 3.84Å; C702-I704 PolarHBondContact O-N 3.02Å; I704-R706 VanDerWaalsContact CD1-CZ 3.48Å; I704-R706 HydrophobicContact CG1-CG 4.4Å; I704-R706 PolarHBondContact O-N 2.87Å
705	K	91	Very high	89	Confident	98 Å²	98	57.3 Å²	57.3	43%	0.426	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62	133.3	173.8	-74.2	-175.3	167.9	-155.2	0	109.8	V695 W697	V695-K705 PolarHBondContact O-NZ 2.92Å; W697-K705 CarbonylContact O-C 3.57Å; W697-K705 WeakPolarHBondContact O-CA 3.46Å
706	R	92.9	Very high	89.6	Confident	57 Å²	57	57.7 Å²	57.7	22%	0.215	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	152.1	176.8	-69	-60.3	-168.4	-174.6	7.7	109.5	H652 W697 C699 C702 I704	H652-R706 HydrophobicContact CB-CG 4.29Å; H652-R706 PolarHBondContact CD2-NH2 2.85Å; H652-R706 PolarHBondContact NE2-NH2 2.93Å; W697-R706 PolarHBondContact N-O 3.28Å; W697-R706 PolarHBondContact O-N 3.41Å; C699-R706 HydrophobicContact CB-CG 4.45Å; C702-R706 HydrophobicContact CB-CG 4.21Å; I704-R706 VanDerWaalsContact CD1-CZ 3.48Å; I704-R706 HydrophobicContact CG1-CG 4.4Å; I704-R706 PolarHBondContact O-N 2.87Å
707	P	93.6	Very high	90.6	Very high	26 Å²	26	57.2 Å²	57.2	17%	0.169	25%	0.251	C	S	.	.			trans	-61.7	141.2	165.8	28.6	-34.7	0	0	0	109.6	L651 Y690 L691	L651-P707 HydrophobicContact CD1-CB 4.35Å; L651-P707 PolarHBondContact N-O 3.49Å; L651-P707 VanDerWaalsContact N-O 3.1Å; Y690-P707 HydrophobicContact CE2-CB 4.47Å; L691-P707 VanDerWaalsContact O-CA 3.22Å; L691-P707 WeakPolarHBondContact O-CA 3.4Å
708	A	94.4	Very high	91	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	157.2	-175.3	0	0	0	0	0	111	T648 Q649 L691 W697	T648-A708 HydrophobicContact CG2-CB 3.72Å; Q649-A708 CarbonylContact O-C 3.46Å; Q649-A708 WeakPolarHBondContact O-CA 3.25Å; Q649-A708 VanDerWaalsContact O-CB 3.26Å; Q649-A708 WeakPolarHBondContact O-CB 3.4Å; L691-A708 HydrophobicContact CB-CB 4.37Å; L691-A708 WeakPolarHBondContact CB-O 3.12Å; L691-A708 HydrophobicContact CD1-CB 4.35Å; L691-A708 PolarHBondContact N-O 3.39Å; L691-A708 PolarHBondContact O-N 2.99Å; W697-A708 HydrophobicContact CB-CB 4.04Å; W697-A708 HydrophobicContact CD2-CB 4.24Å; W697-A708 HydrophobicContact CE3-CB 3.75Å; W697-A708 HydrophobicContact CG-CB 4.4Å; W697-A708 HydrophobicContact CZ3-CB 4.49Å
709	V	94.1	Very high	91.1	Very high	28 Å²	28	48.3 Å²	48.3	17%	0.17	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	127.8	170.1	174.6	0	0	0	0	108.1	T648 Q649 L651 D688 E689 Y690	T648-V709 CarbonylContact C-O 3.53Å; T648-V709 WeakPolarHBondContact CA-O 3.38Å; Q649-V709 PolarHBondContact N-O 3.37Å; Q649-V709 PolarHBondContact O-N 2.91Å; L651-V709 HydrophobicContact CD1-CG2 4.12Å; L651-V709 HydrophobicContact CD2-CG2 3.84Å; L651-V709 HydrophobicContact CG-CG2 4.23Å; D688-V709 HydrophobicContact CB-CG1 3.77Å; E689-V709 WeakPolarHBondContact O-CA 3.45Å; Y690-V709 HydrophobicContact CD2-CG2 4.36Å
710	R	92.9	Very high	91.3	Very high	85 Å²	85	48.3 Å²	48.3	32%	0.321	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	135	176	-178	172.5	73	152.1	7.1	110	S647 E689 L691	S647-R710 CarbonylContact O-C 3.37Å; S647-R710 VanDerWaalsContact O-CA 3.3Å; S647-R710 WeakPolarHBondContact O-CA 3.19Å; E689-R710 PolarHBondContact N-O 3.39Å; E689-R710 PolarHBondContact O-N 3.17Å; E689-R710 IonicContact OE1-NH2 3.41Å; E689-R710 IonicContact OE2-CZ 3.88Å; E689-R710 IonicContact OE2-NE 2.99Å; E689-R710 PolarHBondContact OE2-NE 2.8Å; E689-R710 IonicContact OE2-NH2 3.41Å; E689-R710 PolarHBondContact OE2-NH2 2.57Å; L691-R710 HydrophobicContact CD1-CB 4.17Å; L691-R710 HydrophobicContact CG-CB 4.46Å
711	H	90.1	Very high	91.7	Very high	45 Å²	45	44.3 Å²	44.3	21%	0.208	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	135.9	172.5	64.9	90.2	0	0	0	110.6	S647 D688	S647-H711 VanDerWaalsContact CB-CE1 3.46Å; S647-H711 WeakPolarHBondContact CB-CE1 3.47Å; S647-H711 WeakPolarHBondContact CB-NE2 3.48Å; S647-H711 PolarHBondContact N-O 3.19Å; S647-H711 PolarHBondContact O-N 3.32Å; D688-H711 WeakPolarHBondContact OD1-CB 3.4Å
712	D	90.3	Very high	92.1	Very high	43 Å²	43	36.8 Å²	36.8	23%	0.23	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	130.8	177.5	-63.9	-40.4	0	0	0	109.3	R645 S646	R645-D712 WeakPolarHBondContact O-CA 3.32Å; S646-D712 WeakPolarHBondContact CA-OD1 3.34Å; S646-D712 WeakPolarHBondContact CB-OD1 3.39Å; S646-D712 PolarHBondContact OG-OD1 3.49Å
713	R	90.2	Very high	92.4	Very high	53 Å²	53	35.2 Å²	35.2	20%	0.2	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	138.3	179	-65.4	-67.5	178.8	-92.1	-0.1	111	C644 R645 A686 D688 I715 I755	C644-R713 CarbonylContact C-O 3.52Å; C644-R713 WeakPolarHBondContact CA-O 3.12Å; R645-R713 PolarHBondContact N-O 3.05Å; R645-R713 PolarHBondContact O-N 3.33Å; A686-R713 PolarHBondContact O-NH1 2.87Å; A686-R713 PolarHBondContact O-NH2 2.96Å; D688-R713 IonicContact OD1-NH2 2.86Å; D688-R713 PolarHBondContact OD1-NH2 3Å; R713-I715 PolarHBondContact O-N 3.24Å; R713-I755 CarbonylContact C-O 3.38Å; R713-I755 WeakPolarHBondContact CA-O 3.3Å
714	L	90.8	Very high	92.8	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	111.8	176.5	176.2	55.6	0	0	0	110.2	Y663 F666 R716 A717 L752 I755 T756 D757	Y663-L714 HydrophobicContact CD1-CD1 4.36Å; Y663-L714 HydrophobicContact CE1-CD1 3.21Å; Y663-L714 WeakPolarHBondContact OH-CD1 3.35Å; F666-L714 HydrophobicContact CZ-CD1 4.32Å; F666-L714 HydrophobicContact CZ-CD2 4.34Å; L714-R716 VanDerWaalsContact CD1-O 3.28Å; L714-R716 WeakPolarHBondContact CD1-O 3.21Å; L714-A717 HydrophobicContact CD2-CB 3.86Å; L714-A717 HydrophobicContact CG-CB 4.35Å; L714-L752 HydrophobicContact CD2-CD1 3.96Å; L714-I755 HydrophobicContact CB-CD1 4.29Å; L714-I755 HydrophobicContact CB-CG1 4.23Å; L714-I755 WeakPolarHBondContact CB-O 3.42Å; L714-I755 HydrophobicContact CD2-CD1 3.76Å; L714-I755 HydrophobicContact CD2-CG1 4.14Å; L714-I755 PolarHBondContact N-O 3.28Å; L714-T756 HydrophobicContact CB-CG2 4.03Å; L714-T756 HydrophobicContact CD2-CG2 3.87Å; L714-T756 HydrophobicContact CG-CG2 3.92Å; L714-T756 CarbonylContact O-C 3.56Å; L714-T756 VanDerWaalsContact O-CA 3.22Å; L714-T756 WeakPolarHBondContact O-CA 3.49Å; L714-D757 PolarHBondContact O-N 3Å
715	I	89.9	Confident	93.1	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.005	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	-42.9	177.8	-55.9	-60.2	0	0	0	110.5	A621 Q643 R645 R713 D757 S760 A762	A621-I715 HydrophobicContact CB-CG2 4.03Å; Q643-I715 PolarHBondContact O-N 2.97Å; R645-I715 HydrophobicContact CB-CD1 3.86Å; R645-I715 HydrophobicContact CB-CG1 3.57Å; R713-I715 PolarHBondContact O-N 3.24Å; I715-D757 HydrophobicContact CD1-CB 3.61Å; I715-S760 WeakPolarHBondContact O-CB 3.42Å; I715-S760 PolarHBondContact O-OG 2.9Å; I715-A762 VanDerWaalsContact O-CB 3.31Å; I715-A762 WeakPolarHBondContact O-CB 3.49Å
716	R	89.8	Confident	93.2	Very high	68 Å²	68	26.3 Å²	26.3	26%	0.257	12%	0.117	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	109.4	179.1	-165.1	178.8	-56.5	-68.5	-4.5	109.4	D622 G642 Q643 Y663 L714	D622-R716 IonicContact OD1-CZ 3.4Å; D622-R716 IonicContact OD1-NH2 2.95Å; D622-R716 PolarHBondContact OD1-NH2 3.36Å; G642-R716 CarbonylContact C-O 3.55Å; G642-R716 VanDerWaalsContact CA-O 3.29Å; G642-R716 WeakPolarHBondContact CA-O 3.49Å; Q643-R716 HydrophobicContact CB-CB 3.91Å; Q643-R716 PolarHBondContact N-O 2.8Å; Q643-R716 PolarHBondContact O-N 2.99Å; Y663-R716 PolarHBondContact OH-O 2.9Å; L714-R716 VanDerWaalsContact CD1-O 3.28Å; L714-R716 WeakPolarHBondContact CD1-O 3.21Å
717	A	91.3	Very high	93.2	Very high	3 Å²	3	23.7 Å²	23.7	3%	0.025	11%	0.108	C	C	.	.			trans	-75.8	144.2	176.1	0	0	0	0	0	110.7	Y663 L714 L752 A762 R765 Y767	Y663-A717 VanDerWaalsContact OH-CA 3.32Å; Y663-A717 WeakPolarHBondContact OH-CA 3.12Å; L714-A717 HydrophobicContact CD2-CB 3.86Å; L714-A717 HydrophobicContact CG-CB 4.35Å; A717-L752 HydrophobicContact CB-CD1 4.4Å; A717-A762 HydrophobicContact CB-CB 3.94Å; A717-R765 PolarHBondContact O-NH1 3.37Å; A717-Y767 HydrophobicContact CB-CE2 4.36Å; A717-Y767 WeakPolarHBondContact CB-OH 3.24Å
718	P	93.1	Very high	93	Very high	4 Å²	4	25.1 Å²	25.1	3%	0.026	11%	0.111	C	C	.	.			trans	-81.5	169.2	-176.5	36.3	-25.5	0	0	0	109.9	Q641 Y663 M720 F721 Y767	Q641-P718 WeakPolarHBondContact O-CB 3.47Å; Y663-P718 HydrophobicContact CE2-CG 4.05Å; Y663-P718 WeakPolarHBondContact OH-CD 3.45Å; P718-M720 WeakPolarHBondContact CB-O 3.4Å; P718-M720 WeakPolarHBondContact CG-O 3.44Å; P718-F721 HydrophobicContact CG-CB 4.18Å; P718-F721 HydrophobicContact CG-CD2 4.26Å; P718-Y767 WeakPolarHBondContact O-CE1 3.29Å; P718-Y767 PolarHBondContact O-OH 3.06Å
719	V	92.7	Very high	92.5	Very high	13 Å²	13	27.2 Å²	27.2	8%	0.079	12%	0.124	C	C	.	.	S	Bend	trans	-68.3	-42.8	171.5	174.4	0	0	0	0	110.2	I511 L639 L823 A824 Y827	I511-V719 HydrophobicContact CD1-CG1 4.1Å; L639-V719 HydrophobicContact CD2-CB 4.22Å; L639-V719 HydrophobicContact CD2-CG1 4.13Å; L639-V719 PolarHBondContact O-N 3Å; V719-L823 HydrophobicContact CG1-CD1 3.69Å; V719-A824 PolarHBondContact O-N 3.05Å; V719-Y827 HydrophobicContact CB-CE2 4.41Å; V719-Y827 HydrophobicContact CG1-CD1 4.18Å; V719-Y827 HydrophobicContact CG1-CD2 3.68Å; V719-Y827 HydrophobicContact CG1-CE1 4.4Å; V719-Y827 HydrophobicContact CG1-CE2 3.93Å; V719-Y827 HydrophobicContact CG1-CG 3.82Å; V719-Y827 HydrophobicContact CG2-CD2 4.42Å; V719-Y827 HydrophobicContact CG2-CE1 4.46Å; V719-Y827 HydrophobicContact CG2-CE2 3.8Å
720	M	94.8	Very high	91.7	Very high	0 Å²	0	31 Å²	31	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	109.6	174.9	-71.4	-63.1	-60.3	0	0	109.8	T509 L639 F640 P718 F821 Y822 L823	T509-M720 HydrophobicContact CG2-CE 4.04Å; T509-M720 HydrophobicContact CG2-CG 4.43Å; T509-M720 HydrophobicContact CG2-SD 3.81Å; L639-M720 PolarHBondContact O-N 3.42Å; F640-M720 HydrophobicContact CD1-CB 3.34Å; F640-M720 HydrophobicContact CD1-CG 4.04Å; F640-M720 HydrophobicContact CE1-CB 3.37Å; F640-M720 HydrophobicContact CE1-CE 4.21Å; F640-M720 HydrophobicContact CE1-CG 3.59Å; F640-M720 HydrophobicContact CG-CB 4.17Å; F640-M720 HydrophobicContact CZ-CB 4.19Å; F640-M720 HydrophobicContact CZ-CG 3.95Å; P718-M720 WeakPolarHBondContact CB-O 3.4Å; P718-M720 WeakPolarHBondContact CG-O 3.44Å; M720-F821 HydrophobicContact CE-CB 4.15Å; M720-F821 HydrophobicContact CE-CD1 4.17Å; M720-Y822 CarbonylContact C-O 3.47Å; M720-Y822 VanDerWaalsContact CA-O 3.29Å; M720-Y822 WeakPolarHBondContact CA-O 3.44Å; M720-L823 HydrophobicContact CG-CD1 4.41Å; M720-L823 HydrophobicContact SD-CB 3.88Å; M720-L823 HydrophobicContact SD-CD1 3.49Å; M720-L823 WeakPolarHBondContact SD-CD1 3.48Å; M720-L823 HydrophobicContact SD-CG 4.23Å
721	F	94.8	Very high	90.5	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	112.3	176.8	-178.2	-100.5	0	0	0	109.9	F666 L682 P718 V723 L750 L752 I755 Y767 Y822	F666-F721 HydrophobicContact CB-CZ 4.39Å; F666-F721 HydrophobicContact CD1-CE2 4.41Å; F666-F721 AromaticContact CD2-CD2 3.76Å; F666-F721 HydrophobicContact CD2-CD2 3.76Å; F666-F721 AromaticContact CD2-CE2 3.18Å; F666-F721 HydrophobicContact CD2-CE2 3.18Å; F666-F721 AromaticContact CD2-CZ 3.65Å; F666-F721 HydrophobicContact CD2-CZ 3.65Å; F666-F721 HydrophobicContact CE1-CE2 4.35Å; F666-F721 AromaticContact CE2-CD2 3.56Å; F666-F721 HydrophobicContact CE2-CD2 3.56Å; F666-F721 AromaticContact CE2-CE2 3.05Å; F666-F721 HydrophobicContact CE2-CE2 3.05Å; F666-F721 AromaticContact CE2-CZ 3.95Å; F666-F721 HydrophobicContact CE2-CZ 3.95Å; F666-F721 AromaticContact CG-CE2 3.88Å; F666-F721 HydrophobicContact CG-CE2 3.88Å; F666-F721 AromaticContact CG-CZ 3.94Å; F666-F721 HydrophobicContact CG-CZ 3.94Å; F666-F721 HydrophobicContact CZ-CD2 4.49Å; F666-F721 AromaticContact CZ-CE2 3.72Å; F666-F721 HydrophobicContact CZ-CE2 3.72Å; L682-F721 HydrophobicContact CD2-CE1 4.48Å; L682-F721 HydrophobicContact CD2-CZ 4.06Å; P718-F721 HydrophobicContact CG-CB 4.18Å; P718-F721 HydrophobicContact CG-CD2 4.26Å; F721-V723 HydrophobicContact CD1-CG2 3.75Å; F721-V723 HydrophobicContact CE1-CG2 3.28Å; F721-V723 HydrophobicContact CZ-CG2 4.14Å; F721-L750 HydrophobicContact CD1-CD2 4.38Å; F721-L750 HydrophobicContact CE1-CD2 4.21Å; F721-L752 HydrophobicContact CD1-CD1 4.42Å; F721-L752 HydrophobicContact CD1-CD2 4.21Å; F721-L752 HydrophobicContact CD2-CD1 3.62Å; F721-L752 HydrophobicContact CE1-CD1 4.45Å; F721-L752 HydrophobicContact CE1-CD2 3.72Å; F721-L752 HydrophobicContact CE2-CD1 3.64Å; F721-L752 HydrophobicContact CE2-CD2 4.08Å; F721-L752 HydrophobicContact CG-CD1 4.02Å; F721-L752 HydrophobicContact CZ-CD1 4.11Å; F721-L752 HydrophobicContact CZ-CD2 3.66Å; F721-I755 HydrophobicContact CE2-CD1 4.11Å; F721-I755 HydrophobicContact CZ-CD1 4.09Å; F721-Y767 HydrophobicContact CB-CD1 3.59Å; F721-Y767 HydrophobicContact CB-CE1 3.5Å; F721-Y767 HydrophobicContact CB-CG 4.31Å; F721-Y822 HydrophobicContact CD1-CD2 4.2Å; F721-Y822 PolarHBondContact N-O 3.22Å; F721-Y822 WeakPolarHBondContact O-CB 3.4Å; F721-Y822 PolarHBondContact O-N 3.42Å
722	L	96.9	Very high	89.5	Confident	4 Å²	4	33.7 Å²	33.7	2%	0.021	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	125.4	-177.7	-57.7	-179.6	0	0	0	110.3	L585 F589 F640 F666 F821	L585-L722 HydrophobicContact CD2-CD1 4.26Å; F589-L722 HydrophobicContact CD2-CD1 4.43Å; F589-L722 HydrophobicContact CE2-CD1 3.46Å; F589-L722 VanDerWaalsContact CE2-CD1 3.46Å; F589-L722 HydrophobicContact CZ-CD1 4.12Å; F640-L722 HydrophobicContact CD1-CD1 3.62Å; F640-L722 HydrophobicContact CD1-CD2 4.25Å; F640-L722 HydrophobicContact CD1-CG 3.99Å; F640-L722 HydrophobicContact CE1-CD1 4.19Å; F640-L722 HydrophobicContact CE1-CD2 4.23Å; F640-L722 HydrophobicContact CE1-CG 4.47Å; F666-L722 PolarHBondContact N-O 3.28Å; L722-F821 HydrophobicContact CD2-CB 4.25Å; L722-F821 HydrophobicContact CD2-CD1 3.27Å; L722-F821 HydrophobicContact CD2-CD2 4.49Å; L722-F821 HydrophobicContact CD2-CE1 3.6Å; L722-F821 HydrophobicContact CD2-CG 3.76Å; L722-F821 HydrophobicContact CD2-CZ 4.33Å
723	V	97.1	Very high	88.1	Confident	1 Å²	1	37.4 Å²	37.4	1%	0.006	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	131.2	174.8	178.6	0	0	0	0	109.1	L668 L678 F721 L725 L819 L820 Y822	L668-V723 HydrophobicContact CD1-CG1 3.6Å; L668-V723 HydrophobicContact CG-CG1 4.01Å; L678-V723 HydrophobicContact CD1-CG1 3.9Å; L678-V723 HydrophobicContact CD1-CG2 4.49Å; F721-V723 HydrophobicContact CD1-CG2 3.75Å; F721-V723 HydrophobicContact CE1-CG2 3.28Å; F721-V723 HydrophobicContact CZ-CG2 4.14Å; V723-L725 HydrophobicContact CG1-CD2 4.04Å; V723-L819 CarbonylContact O-C 3.53Å; V723-L819 VanDerWaalsContact O-CA 3.3Å; V723-L819 WeakPolarHBondContact O-CA 3.32Å; V723-L820 HydrophobicContact CB-CB 4.1Å; V723-L820 HydrophobicContact CB-CD1 4.31Å; V723-L820 HydrophobicContact CB-CG 4.42Å; V723-L820 HydrophobicContact CG1-CD1 4.31Å; V723-L820 PolarHBondContact N-O 3.33Å; V723-L820 PolarHBondContact O-N 3.16Å; V723-Y822 HydrophobicContact CG2-CD2 4.39Å; V723-Y822 HydrophobicContact CG2-CE2 4.34Å
724	H	97.1	Very high	87	Confident	15 Å²	15	42.4 Å²	42.4	7%	0.069	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	122.5	167.5	162.8	-139.5	0	0	0	109.2	Q582 N665 F666 S667 L668 Y818 L819	Q582-H724 HydrophobicContact CG-CB 4.14Å; N665-H724 WeakPolarHBondContact ND2-CB 3.44Å; N665-H724 WeakPolarHBondContact OD1-CB 3.48Å; N665-H724 PolarHBondContact OD1-N 3.02Å; F666-H724 PolarHBondContact O-N 2.89Å; S667-H724 CarbonylContact C-O 3.51Å; S667-H724 VanDerWaalsContact CA-O 3.29Å; S667-H724 WeakPolarHBondContact CA-O 3.42Å; S667-H724 WeakPolarHBondContact CB-ND1 3.49Å; S667-H724 PolarHBondContact OG-ND1 3.48Å; L668-H724 PolarHBondContact N-O 3.17Å; H724-Y818 AromaticContact CD2-CE2 3.45Å; H724-Y818 VanDerWaalsContact CD2-CE2 3.45Å; H724-Y818 WeakPolarHBondContact CD2-CE2 3.26Å; H724-Y818 AromaticContact CD2-CZ 3.76Å; H724-Y818 AromaticContact NE2-CE2 3.28Å; H724-Y818 VanDerWaalsContact NE2-CE2 3.28Å; H724-Y818 WeakPolarHBondContact NE2-CE2 3.47Å; H724-Y818 AromaticContact NE2-CZ 3.58Å; H724-Y818 PolarHBondContact NE2-OH 3.46Å; H724-L819 HydrophobicContact CB-CD2 3.56Å
725	L	96.3	Very high	86.5	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	112.1	173.1	-62.1	-178.6	0	0	0	108.4	V670 L678 V723 R727 V742 A817 Y818	V670-L725 HydrophobicContact CG2-CB 3.82Å; V670-L725 HydrophobicContact CG2-CD2 4.33Å; L678-L725 HydrophobicContact CD1-CD2 4.44Å; V723-L725 HydrophobicContact CG1-CD2 4.04Å; L725-R727 HydrophobicContact CB-CG 4.26Å; L725-R727 PolarHBondContact O-N 3.16Å; L725-V742 HydrophobicContact CD1-CB 4.08Å; L725-V742 HydrophobicContact CD1-CG1 4.26Å; L725-V742 HydrophobicContact CD1-CG2 4.27Å; L725-V742 HydrophobicContact CD2-CG1 4.34Å; L725-A817 WeakPolarHBondContact CD1-O 3.45Å; L725-Y818 PolarHBondContact N-O 3.44Å
726	K	94	Very high	86.2	Confident	107 Å²	107	47.3 Å²	47.3	47%	0.465	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	76.7	-179	-70.3	-179.8	172.3	174.9	0	111.2	S667 L668	S667-K726 WeakPolarHBondContact O-CE 3.22Å; L668-K726 VanDerWaalsContact O-CB 3.32Å; L668-K726 WeakPolarHBondContact O-CB 3.28Å; L668-K726 WeakPolarHBondContact O-CG 3.36Å; L668-K726 PolarHBondContact O-N 3.21Å
727	R	92.6	Very high	86.3	Confident	2 Å²	2	45.7 Å²	45.7	1%	0.008	26%	0.262	C	S	.	.			trans	-85.2	-24.8	-177.6	-68.9	-173.8	-179.6	-76.5	0.2	113.2	V670 L725 K737 I738 T740 R815 A817	V670-R727 HydrophobicContact CG2-CG 4.38Å; L725-R727 HydrophobicContact CB-CG 4.26Å; L725-R727 PolarHBondContact O-N 3.16Å; R727-K737 HydrophobicContact CB-CG 4.36Å; R727-K737 CarbonylContact O-C 3.47Å; R727-K737 WeakPolarHBondContact O-CA 3.17Å; R727-I738 PolarHBondContact NH1-O 3.12Å; R727-I738 PolarHBondContact O-N 2.85Å; R727-T740 PolarHBondContact NH1-O 3.47Å; R727-R815 VanDerWaalsContact CZ-O 3.28Å; R727-R815 PolarHBondContact NH1-O 3.09Å; R727-R815 PolarHBondContact NH2-O 3.19Å; R727-A817 VanDerWaalsContact CZ-O 3.32Å; R727-A817 PolarHBondContact NE-O 3.32Å; R727-A817 PolarHBondContact NH2-O 2.69Å; R727-A817 VanDerWaalsContact NH2-O 3.08Å
728	F	90.2	Very high	86.2	Confident	56 Å²	56	46.3 Å²	46.3	25%	0.246	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	124	-178.6	-57.4	-63.9	0	0	0	110.8	G736 K737 H775 A779 Y818	F728-G736 WeakPolarHBondContact CA-O 3.35Å; F728-K737 HydrophobicContact CD1-CB 4.21Å; F728-K737 HydrophobicContact CD1-CG 4.18Å; F728-K737 HydrophobicContact CE1-CB 4.28Å; F728-K737 HydrophobicContact CE1-CD 4.17Å; F728-K737 HydrophobicContact CE1-CG 3.97Å; F728-H775 AromaticContact CE1-CE1 3.87Å; F728-H775 AromaticContact CE1-ND1 3.91Å; F728-H775 AromaticContact CZ-CE1 3.6Å; F728-H775 AromaticContact CZ-ND1 3.48Å; F728-H775 WeakPolarHBondContact CZ-ND1 3.15Å; F728-A779 HydrophobicContact CD1-CB 3.89Å; F728-A779 HydrophobicContact CE1-CB 4.4Å; F728-Y818 AromaticContact CD2-CE2 3.96Å; F728-Y818 HydrophobicContact CD2-CE2 3.96Å; F728-Y818 HydrophobicContact CE2-CD2 4.31Å; F728-Y818 HydrophobicContact CE2-CE1 4.5Å; F728-Y818 AromaticContact CE2-CE2 3.63Å; F728-Y818 HydrophobicContact CE2-CE2 3.63Å; F728-Y818 AromaticContact CE2-CZ 3.73Å
729	T	83.7	Confident	86.1	Confident	43 Å²	43	50.9 Å²	50.9	26%	0.264	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	153.2	175.5	58.5	0	0	0	0	110	T735 G736 I738	T729-T735 WeakPolarHBondContact O-CA 3.48Å; T729-G736 PolarHBondContact N-O 2.83Å; T729-G736 PolarHBondContact O-N 3.23Å; T729-I738 HydrophobicContact CG2-CD1 3.7Å; T729-I738 HydrophobicContact CG2-CG1 3.99Å
730	H	76.9	Confident	86.1	Confident	107 Å²	107	51 Å²	51	50%	0.495	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	94.9	179.1	-179.1	-69.7	0	0	0	108.5	G732	H730-G732 PolarHBondContact CE1-O 3.05Å
731	D	68	Low	86.1	Confident	124 Å²	124	54.5 Å²	54.5	66%	0.663	30%	0.302	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.2	90.3	-179.9	-68.6	-25.5	0	0	0	108.7	S733 E734	D731-S733 PolarHBondContact O-N 2.87Å; D731-E734 PolarHBondContact N-O 3.02Å; D731-E734 PolarHBondContact O-N 2.94Å; D731-E734 VanDerWaalsContact O-N 3.1Å
732	G	68.2	Low	86.1	Confident	64 Å²	64	54.5 Å²	54.5	66%	0.66	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.6	-100.1	180	0	0	0	0	0	112.7	H730	H730-G732 PolarHBondContact CE1-O 3.05Å
733	S	62.1	Low	86.1	Confident	121 Å²	121	57.9 Å²	57.9	85%	0.846	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.2	-13.7	179.2	-169.3	0	0	0	0	113.4	D731	D731-S733 PolarHBondContact O-N 2.87Å
734	E	66.3	Low	86	Confident	158 Å²	158	58 Å²	58	74%	0.738	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.7	126.8	-176.1	-66.2	-174.8	-178.7	0	0	110.5	D731	D731-E734 PolarHBondContact N-O 3.02Å; D731-E734 PolarHBondContact O-N 2.94Å; D731-E734 VanDerWaalsContact O-N 3.1Å
735	T	79.8	Confident	85.8	Confident	77 Å²	77	58 Å²	58	47%	0.472	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	123	172.4	58.1	0	0	0	0	109.5	T729	T729-T735 WeakPolarHBondContact O-CA 3.48Å
736	G	84.6	Confident	85.6	Confident	26 Å²	26	59 Å²	59	27%	0.268	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	159.9	-178.9	0	0	0	0	0	112.4	F728 T729	F728-G736 WeakPolarHBondContact CA-O 3.35Å; T729-G736 PolarHBondContact N-O 2.83Å; T729-G736 PolarHBondContact O-N 3.23Å
737	K	91	Very high	85.3	Confident	34 Å²	34	57.5 Å²	57.5	15%	0.148	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	123.7	166.4	-176.4	-169.4	173.9	-166.9	0	109.3	R727 F728 E739 H775 G777	R727-K737 HydrophobicContact CB-CG 4.36Å; R727-K737 CarbonylContact O-C 3.47Å; R727-K737 WeakPolarHBondContact O-CA 3.17Å; F728-K737 HydrophobicContact CD1-CB 4.21Å; F728-K737 HydrophobicContact CD1-CG 4.18Å; F728-K737 HydrophobicContact CE1-CB 4.28Å; F728-K737 HydrophobicContact CE1-CD 4.17Å; F728-K737 HydrophobicContact CE1-CG 3.97Å; K737-E739 PolarHBondContact O-N 2.82Å; K737-H775 PolarHBondContact NZ-O 3.4Å; K737-G777 WeakPolarHBondContact CD-O 3.37Å; K737-G777 PolarHBondContact NZ-O 3.41Å
738	I	90.6	Very high	85.1	Confident	16 Å²	16	63.2 Å²	63.2	8%	0.082	36%	0.355	C	S	.	.			trans	-76.4	112	174.9	-58.4	171.6	0	0	0	109.1	V670 P671 I672 R727 T729 T740	V670-I738 HydrophobicContact CB-CG2 4.26Å; V670-I738 HydrophobicContact CG1-CG2 3.74Å; P671-I738 WeakPolarHBondContact O-CG2 3.4Å; I672-I738 HydrophobicContact CG1-CD1 3.92Å; I672-I738 HydrophobicContact CG1-CG1 4.27Å; R727-I738 PolarHBondContact NH1-O 3.12Å; R727-I738 PolarHBondContact O-N 2.85Å; T729-I738 HydrophobicContact CG2-CD1 3.7Å; T729-I738 HydrophobicContact CG2-CG1 3.99Å; I738-T740 VanDerWaalsContact C-N 3.35Å; I738-T740 VanDerWaalsContact CG2-OG1 3.24Å; I738-T740 WeakPolarHBondContact CG2-OG1 3.46Å
739	E	89.2	Confident	85.2	Confident	100 Å²	100	62.9 Å²	62.9	47%	0.467	36%	0.358	S	S	.	.			trans	-92.7	7.4	179.3	-58	-157.9	148.1	0	0	114.1	K737 F741 R815	K737-E739 PolarHBondContact O-N 2.82Å; E739-F741 PolarHBondContact O-N 3.45Å; E739-R815 PolarHBondContact O-NE 2.94Å
740	T	92.9	Very high	85.7	Confident	15 Å²	15	60.8 Å²	60.8	9%	0.092	35%	0.345	C	S	.	.			trans	-53.3	130.3	176.3	-54	0	0	0	0	110.7	V670 P671 I672 K674 R727 I738 V742	V670-T740 HydrophobicContact CG1-CG2 4.49Å; P671-T740 WeakPolarHBondContact O-CB 3.11Å; P671-T740 VanDerWaalsContact O-CG2 3.31Å; P671-T740 WeakPolarHBondContact O-CG2 3.44Å; P671-T740 PolarHBondContact O-OG1 2.91Å; I672-T740 PolarHBondContact O-OG1 3.08Å; K674-T740 VanDerWaalsContact C-CG2 3.49Å; K674-T740 WeakPolarHBondContact O-CG2 3.24Å; R727-T740 PolarHBondContact NH1-O 3.47Å; I738-T740 VanDerWaalsContact C-N 3.35Å; I738-T740 VanDerWaalsContact CG2-OG1 3.24Å; I738-T740 WeakPolarHBondContact CG2-OG1 3.46Å; T740-V742 PolarHBondContact O-N 3.45Å
741	F	94.7	Very high	86.4	Confident	74 Å²	74	59.1 Å²	59.1	33%	0.325	34%	0.34	S	S	.	.			trans	-69.1	127.3	174.7	-176.7	-99.4	0	0	0	109.8	P675 S676 E739 D743 C813 R815	P675-F741 WeakPolarHBondContact CA-O 3.41Å; S676-F741 PolarHBondContact N-O 3.48Å; S676-F741 VanDerWaalsContact N-O 3.13Å; E739-F741 PolarHBondContact O-N 3.45Å; F741-D743 HydrophobicContact CD1-CB 4.48Å; F741-D743 HydrophobicContact CE1-CB 3.82Å; F741-C813 VanDerWaalsContact CZ-SG 3.56Å; F741-R815 HydrophobicContact CD2-CB 4.26Å
742	V	96	Very high	87.4	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	110.3	174.6	-179.6	0	0	0	0	107.3	V670 S676 L678 L725 T740 F744	V670-V742 HydrophobicContact CG1-CG2 3.66Å; V670-V742 HydrophobicContact CG2-CG2 4.32Å; S676-V742 CarbonylContact O-C 2.87Å; S676-V742 VanDerWaalsContact O-CA 3.25Å; S676-V742 WeakPolarHBondContact O-CA 3.44Å; L678-V742 HydrophobicContact CB-CG1 4.49Å; L725-V742 HydrophobicContact CD1-CB 4.08Å; L725-V742 HydrophobicContact CD1-CG1 4.26Å; L725-V742 HydrophobicContact CD1-CG2 4.27Å; L725-V742 HydrophobicContact CD2-CG1 4.34Å; T740-V742 PolarHBondContact O-N 3.45Å; V742-F744 VanDerWaalsContact O-CD1 3.27Å; V742-F744 WeakPolarHBondContact O-CD1 3.39Å
743	D	96.1	Very high	88.4	Confident	76 Å²	76	52.8 Å²	52.8	41%	0.406	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	126.3	177.1	-171.4	60.7	0	0	0	110.2	S676 T677 L678 F741	S676-D743 PolarHBondContact O-N 2.9Å; T677-D743 CarbonylContact C-O 3.57Å; T677-D743 WeakPolarHBondContact CA-O 3.32Å; T677-D743 HydrophobicContact CG2-CB 4.34Å; L678-D743 PolarHBondContact N-O 2.87Å; F741-D743 HydrophobicContact CD1-CB 4.48Å; F741-D743 HydrophobicContact CE1-CB 3.82Å
744	F	96.4	Very high	89.6	Confident	2 Å²	2	51.5 Å²	51.5	1%	0.009	28%	0.278	C	S	.	.			trans	-134.1	143.1	176.9	54.4	-96.3	0	0	0	110.7	L678 V742 T746 L769 V772 C813 A817 L820	L678-F744 HydrophobicContact CB-CB 3.86Å; L678-F744 HydrophobicContact CD2-CB 3.88Å; L678-F744 HydrophobicContact CG-CB 4.48Å; V742-F744 VanDerWaalsContact O-CD1 3.27Å; V742-F744 WeakPolarHBondContact O-CD1 3.39Å; F744-T746 HydrophobicContact CD2-CG2 4.4Å; F744-T746 HydrophobicContact CE2-CG2 4.22Å; F744-T746 PolarHBondContact O-N 2.9Å; F744-L769 HydrophobicContact CD2-CD2 3.87Å; F744-L769 HydrophobicContact CE2-CD2 3.66Å; F744-V772 HydrophobicContact CE2-CG2 4.01Å; F744-V772 HydrophobicContact CZ-CG1 4.42Å; F744-V772 HydrophobicContact CZ-CG2 4.18Å; F744-C813 HydrophobicContact CE2-CB 4.32Å; F744-C813 HydrophobicContact CZ-CB 4.23Å; F744-A817 HydrophobicContact CE1-CB 3.44Å; F744-A817 VanDerWaalsContact CE1-CB 3.44Å; F744-A817 HydrophobicContact CZ-CB 3.77Å; F744-L820 HydrophobicContact CB-CD1 4.15Å; F744-L820 HydrophobicContact CD1-CD1 4.02Å; F744-L820 HydrophobicContact CD1-CD2 4.1Å; F744-L820 HydrophobicContact CD2-CD1 4.44Å; F744-L820 HydrophobicContact CD2-CD2 4.22Å; F744-L820 HydrophobicContact CE1-CD2 3.85Å; F744-L820 HydrophobicContact CE2-CD2 3.96Å; F744-L820 HydrophobicContact CG-CD1 3.95Å; F744-L820 HydrophobicContact CG-CD2 4.29Å; F744-L820 HydrophobicContact CZ-CD2 3.75Å
745	P	92.6	Very high	90.7	Very high	15 Å²	15	44 Å²	44	10%	0.097	24%	0.243	C	C	.	.			trans	-70.1	126	-175.2	29.8	-35.7	0	0	0	110.7	Q748 L750	P745-Q748 HydrophobicContact CB-CB 4.3Å; P745-Q748 WeakPolarHBondContact CB-O 3.29Å; P745-L750 HydrophobicContact CG-CB 4.16Å; P745-L750 HydrophobicContact CG-CD1 4.21Å
746	T	91.3	Very high	91.1	Very high	22 Å²	22	40.7 Å²	40.7	14%	0.135	22%	0.223	C	C	.	.	S	Bend	trans	-94.1	-35.2	176.7	54.7	0	0	0	0	112	F744 L769 R789 V812 C813	F744-T746 HydrophobicContact CD2-CG2 4.4Å; F744-T746 HydrophobicContact CE2-CG2 4.22Å; F744-T746 PolarHBondContact O-N 2.9Å; T746-L769 HydrophobicContact CG2-CD2 4.11Å; T746-R789 PolarHBondContact O-NH2 3.46Å; T746-V812 HydrophobicContact CG2-CB 3.97Å; T746-V812 HydrophobicContact CG2-CG1 4Å; T746-C813 HydrophobicContact CG2-CB 4.2Å
747	V	87.1	Confident	90.9	Very high	76 Å²	76	40.9 Å²	40.9	46%	0.461	22%	0.217	S	C	.	.	S	Bend	trans	-100.3	-54.7	179.7	-179.3	0	0	0	0	111.4	E809	V747-E809 HydrophobicContact CG2-CG 4.18Å; V747-E809 WeakPolarHBondContact CG2-OE1 3.35Å; V747-E809 WeakPolarHBondContact CG2-OE2 3.5Å
748	Q	89.6	Confident	90	Very high	122 Å²	122	48.7 Å²	48.7	57%	0.57	25%	0.251	S	S	*	.	S	Bend	trans	-69.5	140	-173.1	-62.9	77.3	14.5	0	0	109.8	P745 L750	P745-Q748 HydrophobicContact CB-CB 4.3Å; P745-Q748 WeakPolarHBondContact CB-O 3.29Å; Q748-L750 PolarHBondContact O-N 2.94Å
749	P	92.3	Very high	88.9	Confident	48 Å²	48	53.1 Å²	53.1	31%	0.312	28%	0.283	S	S	.	.	P	Polyproline II helix	trans	-62.2	130.2	175	-21.3	32.2	0	0	0	111.1	D751 R766 Y767	P749-D751 PolarHBondContact O-N 3.35Å; P749-R766 HydrophobicContact CB-CB 3.63Å; P749-R766 HydrophobicContact CB-CG 4.39Å; P749-Y767 CarbonylContact C-O 3.58Å; P749-Y767 VanDerWaalsContact CA-O 3.29Å; P749-Y767 WeakPolarHBondContact CA-O 3.16Å
750	L	93.7	Very high	87.9	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	125.8	170.1	177.5	66.9	0	0	0	109.2	L678 Q679 L682 F721 P745 Q748 L752 R766 Y767 Y822	L678-L750 HydrophobicContact CD2-CD1 4.12Å; L678-L750 HydrophobicContact CD2-CD2 3.83Å; Q679-L750 HydrophobicContact CG-CD1 4.49Å; L682-L750 HydrophobicContact CD1-CD1 4.11Å; L682-L750 HydrophobicContact CD1-CD2 4.44Å; F721-L750 HydrophobicContact CD1-CD2 4.38Å; F721-L750 HydrophobicContact CE1-CD2 4.21Å; P745-L750 HydrophobicContact CG-CB 4.16Å; P745-L750 HydrophobicContact CG-CD1 4.21Å; Q748-L750 PolarHBondContact O-N 2.94Å; L750-L752 HydrophobicContact CD2-CD2 3.94Å; L750-L752 HydrophobicContact CG-CD2 4.09Å; L750-R766 WeakPolarHBondContact O-CA 3.39Å; L750-Y767 PolarHBondContact N-O 3.35Å; L750-Y767 PolarHBondContact O-N 3.35Å; L750-Y822 HydrophobicContact CB-CD1 4.16Å; L750-Y822 HydrophobicContact CB-CE1 3.91Å; L750-Y822 HydrophobicContact CD2-CD1 4.14Å; L750-Y822 HydrophobicContact CD2-CD2 4.21Å; L750-Y822 HydrophobicContact CD2-CE1 3.93Å; L750-Y822 HydrophobicContact CD2-CE2 3.98Å; L750-Y822 HydrophobicContact CD2-CG 4.29Å
751	D	90.9	Very high	86.7	Confident	72 Å²	72	52.1 Å²	52.1	39%	0.385	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	127.6	173.8	-177.1	10.9	0	0	0	110.1	P749 S753	P749-D751 PolarHBondContact O-N 3.35Å; D751-S753 WeakPolarHBondContact OD1-CB 3.43Å; D751-S753 PolarHBondContact OD1-N 2.99Å; D751-S753 PolarHBondContact OD1-OG 3.44Å; D751-S753 WeakPolarHBondContact OD2-CB 3.37Å; D751-S753 PolarHBondContact OD2-OG 2.68Å
752	L	90.8	Very high	85.3	Confident	1 Å²	1	48.8 Å²	48.8	1%	0.005	28%	0.279	C	S	.	.			trans	-94.9	4.1	177.1	-58.7	-172.7	0	0	0	112.9	L682 L714 A717 F721 L750 L754 I755 T756 Y767	L682-L752 HydrophobicContact CD1-CD2 4.36Å; L714-L752 HydrophobicContact CD2-CD1 3.96Å; A717-L752 HydrophobicContact CB-CD1 4.4Å; F721-L752 HydrophobicContact CD1-CD1 4.42Å; F721-L752 HydrophobicContact CD1-CD2 4.21Å; F721-L752 HydrophobicContact CD2-CD1 3.62Å; F721-L752 HydrophobicContact CE1-CD1 4.45Å; F721-L752 HydrophobicContact CE1-CD2 3.72Å; F721-L752 HydrophobicContact CE2-CD1 3.64Å; F721-L752 HydrophobicContact CE2-CD2 4.08Å; F721-L752 HydrophobicContact CG-CD1 4.02Å; F721-L752 HydrophobicContact CZ-CD1 4.11Å; F721-L752 HydrophobicContact CZ-CD2 3.66Å; L750-L752 HydrophobicContact CD2-CD2 3.94Å; L750-L752 HydrophobicContact CG-CD2 4.09Å; L752-L754 PolarHBondContact O-N 2.78Å; L752-I755 HydrophobicContact CB-CD1 4.47Å; L752-I755 HydrophobicContact CB-CG1 4.09Å; L752-I755 HydrophobicContact CD2-CD1 4.32Å; L752-I755 VanDerWaalsContact O-CG1 3.26Å; L752-I755 WeakPolarHBondContact O-CG1 3.48Å; L752-I755 PolarHBondContact O-N 2.77Å; L752-T756 HydrophobicContact CB-CG2 4.04Å; L752-T756 WeakPolarHBondContact O-CG2 3.33Å; L752-T756 PolarHBondContact O-N 2.55Å; L752-T756 PolarHBondContact O-OG1 2.91Å; L752-Y767 HydrophobicContact CD1-CD2 3.58Å; L752-Y767 HydrophobicContact CD1-CE2 3.28Å; L752-Y767 HydrophobicContact CD1-CG 4.45Å; L752-Y767 HydrophobicContact CG-CD2 3.72Å; L752-Y767 HydrophobicContact CG-CE2 3.87Å
753	S	88.3	Confident	83.9	Confident	53 Å²	53	50.2 Å²	50.2	37%	0.371	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.9	-34.6	-178.6	64	0	0	0	0	113.6	D751 I755 T756	D751-S753 WeakPolarHBondContact OD1-CB 3.43Å; D751-S753 PolarHBondContact OD1-N 2.99Å; D751-S753 PolarHBondContact OD1-OG 3.44Å; D751-S753 WeakPolarHBondContact OD2-CB 3.37Å; D751-S753 PolarHBondContact OD2-OG 2.68Å; S753-I755 VanDerWaalsContact C-N 3.32Å; S753-I755 PolarHBondContact O-N 2.77Å; S753-T756 VanDerWaalsContact CA-OG1 3.28Å; S753-T756 WeakPolarHBondContact CA-OG1 3.11Å; S753-T756 PolarHBondContact O-OG1 3.1Å
754	L	87	Confident	83.1	Confident	95 Å²	95	56.9 Å²	56.9	50%	0.497	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-33.3	177.1	-67.9	175.2	0	0	0	114.2	Q679 L752	Q679-L754 HydrophobicContact CB-CD1 4.32Å; L752-L754 PolarHBondContact O-N 2.78Å
755	I	89.1	Confident	82.6	Confident	1 Å²	1	60 Å²	60	1%	0.005	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.3	-16.1	-177.5	66.4	163.3	0	0	0	112.4	F666 L682 F685 A686 R713 L714 F721 L752 S753	F666-I755 HydrophobicContact CE1-CD1 4.15Å; F666-I755 HydrophobicContact CZ-CD1 4.4Å; L682-I755 HydrophobicContact CB-CG2 3.93Å; L682-I755 HydrophobicContact CD2-CD1 4.13Å; L682-I755 HydrophobicContact CD2-CG2 4.21Å; L682-I755 WeakPolarHBondContact O-CG2 3.23Å; F685-I755 HydrophobicContact CD1-CG2 4.36Å; A686-I755 HydrophobicContact CB-CB 4.44Å; A686-I755 HydrophobicContact CB-CG2 3.96Å; R713-I755 CarbonylContact C-O 3.38Å; R713-I755 WeakPolarHBondContact CA-O 3.3Å; L714-I755 HydrophobicContact CB-CD1 4.29Å; L714-I755 HydrophobicContact CB-CG1 4.23Å; L714-I755 WeakPolarHBondContact CB-O 3.42Å; L714-I755 HydrophobicContact CD2-CD1 3.76Å; L714-I755 HydrophobicContact CD2-CG1 4.14Å; L714-I755 PolarHBondContact N-O 3.28Å; F721-I755 HydrophobicContact CE2-CD1 4.11Å; F721-I755 HydrophobicContact CZ-CD1 4.09Å; L752-I755 HydrophobicContact CB-CD1 4.47Å; L752-I755 HydrophobicContact CB-CG1 4.09Å; L752-I755 HydrophobicContact CD2-CD1 4.32Å; L752-I755 VanDerWaalsContact O-CG1 3.26Å; L752-I755 WeakPolarHBondContact O-CG1 3.48Å; L752-I755 PolarHBondContact O-N 2.77Å; S753-I755 VanDerWaalsContact C-N 3.32Å; S753-I755 PolarHBondContact O-N 2.77Å
756	T	88.9	Confident	82.6	Confident	7 Å²	7	65 Å²	65	4%	0.043	34%	0.337	C	S	.	.	B	Isolated β-bridge	trans	-81.8	154.9	-179.8	58.9	0	0	0	0	113.4	L714 L752 S753 A762 S763	L714-T756 HydrophobicContact CB-CG2 4.03Å; L714-T756 HydrophobicContact CD2-CG2 3.87Å; L714-T756 HydrophobicContact CG-CG2 3.92Å; L714-T756 CarbonylContact O-C 3.56Å; L714-T756 VanDerWaalsContact O-CA 3.22Å; L714-T756 WeakPolarHBondContact O-CA 3.49Å; L752-T756 HydrophobicContact CB-CG2 4.04Å; L752-T756 WeakPolarHBondContact O-CG2 3.33Å; L752-T756 PolarHBondContact O-N 2.55Å; L752-T756 PolarHBondContact O-OG1 2.91Å; S753-T756 VanDerWaalsContact CA-OG1 3.28Å; S753-T756 WeakPolarHBondContact CA-OG1 3.11Å; S753-T756 PolarHBondContact O-OG1 3.1Å; T756-A762 HydrophobicContact CG2-CB 4.32Å; T756-S763 WeakPolarHBondContact OG1-CA 3.47Å; T756-S763 WeakPolarHBondContact OG1-CB 3.26Å
757	D	81	Confident	82.7	Confident	29 Å²	29	64 Å²	64	16%	0.155	33%	0.33	C	S	.	.			trans	-71.3	136.2	166.7	-166.4	-3.6	0	0	0	111	R645 L714 I715 C759 S760	R645-D757 IonicContact CZ-OD2 3.49Å; R645-D757 VanDerWaalsContact CZ-OD2 3.23Å; R645-D757 IonicContact NH1-OD2 2.79Å; R645-D757 PolarHBondContact NH1-OD2 2.88Å; R645-D757 VanDerWaalsContact NH1-OD2 3.1Å; R645-D757 IonicContact NH2-OD1 3.81Å; R645-D757 IonicContact NH2-OD2 3.4Å; R645-D757 PolarHBondContact NH2-OD2 3.1Å; L714-D757 PolarHBondContact O-N 3Å; I715-D757 HydrophobicContact CD1-CB 3.61Å; D757-C759 PolarHBondContact O-N 3.41Å; D757-S760 WeakPolarHBondContact O-CB 3.28Å; D757-S760 PolarHBondContact O-N 2.86Å
758	K	71.6	Confident	83	Confident	198 Å²	198	61.4 Å²	61.4	86%	0.861	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-28.6	-178.1	-65.5	-175.6	179.4	-178.7	0	112.5	S760	K758-S760 VanDerWaalsContact C-N 3.35Å
759	C	67.1	Low	83.3	Confident	109 Å²	109	55.7 Å²	55.7	74%	0.736	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	-5.4	179.4	-65.7	0	0	0	0	113.7	D757	D757-C759 PolarHBondContact O-N 3.41Å
760	S	68.8	Low	83.5	Confident	9 Å²	9	54.3 Å²	54.3	6%	0.063	28%	0.278	C	S	.	.	S	Bend	trans	-89.8	140.6	-177.3	179.2	0	0	0	0	112.4	I715 D757 K758 A762 S763	I715-S760 WeakPolarHBondContact O-CB 3.42Å; I715-S760 PolarHBondContact O-OG 2.9Å; D757-S760 WeakPolarHBondContact O-CB 3.28Å; D757-S760 PolarHBondContact O-N 2.86Å; K758-S760 VanDerWaalsContact C-N 3.35Å; S760-A762 PolarHBondContact O-N 3.32Å; S760-A762 VanDerWaalsContact O-N 3.16Å; S760-A762 VanDerWaalsContact OG-CB 3.23Å; S760-A762 WeakPolarHBondContact OG-CB 3.4Å; S760-A762 PolarHBondContact OG-N 3.11Å; S760-S763 WeakPolarHBondContact O-CB 3.4Å; S760-S763 PolarHBondContact O-N 3.26Å; S760-S763 PolarHBondContact O-OG 3.35Å
761	A	67.8	Low	83.6	Confident	86 Å²	86	54.4 Å²	54.4	71%	0.711	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-55.9	-25.6	165.6	0	0	0	0	0	112.6	S763 R764	A761-S763 PolarHBondContact O-N 2.98Å; A761-R764 PolarHBondContact O-N 3.26Å
762	A	64.2	Low	84	Confident	4 Å²	4	51 Å²	51	3%	0.033	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-60.3	-26.9	175.4	0	0	0	0	0	113.3	I715 A717 T756 S760 R764 R765	I715-A762 VanDerWaalsContact O-CB 3.31Å; I715-A762 WeakPolarHBondContact O-CB 3.49Å; A717-A762 HydrophobicContact CB-CB 3.94Å; T756-A762 HydrophobicContact CG2-CB 4.32Å; S760-A762 PolarHBondContact O-N 3.32Å; S760-A762 VanDerWaalsContact O-N 3.16Å; S760-A762 VanDerWaalsContact OG-CB 3.23Å; S760-A762 WeakPolarHBondContact OG-CB 3.4Å; S760-A762 PolarHBondContact OG-N 3.11Å; A762-R764 PolarHBondContact O-N 3.17Å; A762-R764 VanDerWaalsContact O-N 3.13Å; A762-R765 PolarHBondContact O-N 2.69Å
763	S	68	Low	84.3	Confident	29 Å²	29	50.9 Å²	50.9	20%	0.203	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-63.1	-16.8	179.3	64.8	0	0	0	0	114.4	T756 S760 A761	T756-S763 WeakPolarHBondContact OG1-CA 3.47Å; T756-S763 WeakPolarHBondContact OG1-CB 3.26Å; S760-S763 WeakPolarHBondContact O-CB 3.4Å; S760-S763 PolarHBondContact O-N 3.26Å; S760-S763 PolarHBondContact O-OG 3.35Å; A761-S763 PolarHBondContact O-N 2.98Å
764	R	78.7	Confident	84.8	Confident	217 Å²	217	48.4 Å²	48.4	82%	0.819	24%	0.242	S	C	*	.	G	3₁₀ helix	trans	-96.8	-8.7	-179.4	-60.3	-176.4	-174.4	176.4	1.4	113.4	A761 A762 R766	A761-R764 PolarHBondContact O-N 3.26Å; A762-R764 PolarHBondContact O-N 3.17Å; A762-R764 VanDerWaalsContact O-N 3.13Å; R764-R766 PolarHBondContact O-N 3.25Å
765	R	86.4	Confident	85.2	Confident	66 Å²	66	44.2 Å²	44.2	25%	0.249	22%	0.22	C	C	.	.			trans	-76.5	126	-177.8	-76.4	-171.3	175.1	141.4	1.8	110.1	A717 A762 Y767 E826	A717-R765 PolarHBondContact O-NH1 3.37Å; A762-R765 PolarHBondContact O-N 2.69Å; R765-Y767 HydrophobicContact CB-CE2 3.75Å; R765-E826 IonicContact CZ-OE1 3.97Å; R765-E826 IonicContact NE-OE1 3.1Å; R765-E826 PolarHBondContact NE-OE1 3.47Å; R765-E826 IonicContact NH2-OE1 2.65Å
766	R	92	Very high	85.4	Confident	122 Å²	122	45.2 Å²	45.2	46%	0.46	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	150.3	173.2	-57.9	-174.9	-62.8	178.2	-1.5	109.8	P749 L750 R764 E825	P749-R766 HydrophobicContact CB-CB 3.63Å; P749-R766 HydrophobicContact CB-CG 4.39Å; L750-R766 WeakPolarHBondContact O-CA 3.39Å; R764-R766 PolarHBondContact O-N 3.25Å; R766-E825 HydrophobicContact CB-CB 4.47Å; R766-E825 IonicContact CZ-OE1 2.91Å; R766-E825 IonicContact CZ-OE2 2.68Å; R766-E825 IonicContact NE-OE1 3.84Å; R766-E825 IonicContact NE-OE2 3.53Å; R766-E825 PolarHBondContact NE-OE2 3.04Å; R766-E825 IonicContact NH2-OE1 3.91Å; R766-E825 PolarHBondContact NH2-OE1 2.95Å; R766-E825 IonicContact NH2-OE2 2.78Å; R766-E825 PolarHBondContact NH2-OE2 3.26Å; R766-E825 WeakPolarHBondContact O-CB 3.14Å; R766-E825 PolarHBondContact O-N 3.39Å
767	Y	94.1	Very high	85.5	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	131.7	-167.6	-81	-87.4	0	0	0	111.4	A717 P718 F721 P749 L750 L752 R765 L823 A824	A717-Y767 HydrophobicContact CB-CE2 4.36Å; A717-Y767 WeakPolarHBondContact CB-OH 3.24Å; P718-Y767 WeakPolarHBondContact O-CE1 3.29Å; P718-Y767 PolarHBondContact O-OH 3.06Å; F721-Y767 HydrophobicContact CB-CD1 3.59Å; F721-Y767 HydrophobicContact CB-CE1 3.5Å; F721-Y767 HydrophobicContact CB-CG 4.31Å; P749-Y767 CarbonylContact C-O 3.58Å; P749-Y767 VanDerWaalsContact CA-O 3.29Å; P749-Y767 WeakPolarHBondContact CA-O 3.16Å; L750-Y767 PolarHBondContact N-O 3.35Å; L750-Y767 PolarHBondContact O-N 3.35Å; L752-Y767 HydrophobicContact CD1-CD2 3.58Å; L752-Y767 HydrophobicContact CD1-CE2 3.28Å; L752-Y767 HydrophobicContact CD1-CG 4.45Å; L752-Y767 HydrophobicContact CG-CD2 3.72Å; L752-Y767 HydrophobicContact CG-CE2 3.87Å; R765-Y767 HydrophobicContact CB-CE2 3.75Å; Y767-L823 WeakPolarHBondContact CA-O 3.48Å; Y767-A824 HydrophobicContact CD1-CB 4.29Å; Y767-A824 HydrophobicContact CE1-CB 3.81Å
768	I	93.7	Very high	85.7	Confident	21 Å²	21	48.6 Å²	48.6	11%	0.108	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	130.8	179.7	-59	-166.2	0	0	0	108.7	T770 Y822 L823 E825 V828	I768-T770 PolarHBondContact O-N 3.41Å; I768-Y822 CarbonylContact O-C 3.56Å; I768-Y822 WeakPolarHBondContact O-CA 3.42Å; I768-L823 PolarHBondContact N-O 3.49Å; I768-L823 PolarHBondContact O-N 3.06Å; I768-E825 HydrophobicContact CD1-CB 4.4Å; I768-E825 HydrophobicContact CD1-CG 4.02Å; I768-E825 HydrophobicContact CG1-CB 4.36Å; I768-E825 HydrophobicContact CG1-CG 4.49Å; I768-V828 HydrophobicContact CB-CG2 3.85Å; I768-V828 HydrophobicContact CD1-CB 4.35Å; I768-V828 HydrophobicContact CD1-CG1 4.19Å; I768-V828 HydrophobicContact CD1-CG2 3.92Å; I768-V828 HydrophobicContact CG1-CG2 4.03Å
769	L	95.9	Very high	86.1	Confident	2 Å²	2	41 Å²	41	1%	0.01	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	126.5	177.9	-172.8	74.1	0	0	0	109.9	F744 T746 V772 R789 W796 V812 L820 Y822	F744-L769 HydrophobicContact CD2-CD2 3.87Å; F744-L769 HydrophobicContact CE2-CD2 3.66Å; T746-L769 HydrophobicContact CG2-CD2 4.11Å; L769-V772 HydrophobicContact CD1-CG2 4.05Å; L769-V772 HydrophobicContact CD2-CG2 3.77Å; L769-V772 HydrophobicContact CG-CG2 4.22Å; L769-R789 WeakPolarHBondContact O-CD 3.28Å; L769-R789 VanDerWaalsContact O-CZ 3.3Å; L769-R789 PolarHBondContact O-NE 2.78Å; L769-W796 HydrophobicContact CB-CH2 4.38Å; L769-W796 HydrophobicContact CD2-CH2 3.77Å; L769-W796 HydrophobicContact CD2-CZ2 4.25Å; L769-W796 HydrophobicContact CG-CH2 3.87Å; L769-V812 HydrophobicContact CD2-CG1 4.03Å; L769-L820 HydrophobicContact CD1-CB 3.99Å; L769-L820 HydrophobicContact CD1-CD2 4.47Å; L769-Y822 HydrophobicContact CB-CD1 4Å; L769-Y822 HydrophobicContact CB-CE1 3.65Å; L769-Y822 HydrophobicContact CD1-CD1 4.21Å; L769-Y822 HydrophobicContact CD1-CD2 4.17Å; L769-Y822 HydrophobicContact CD1-CE1 3.77Å; L769-Y822 HydrophobicContact CD1-CE2 3.75Å; L769-Y822 HydrophobicContact CD1-CG 4.38Å; L769-Y822 VanDerWaalsContact CD1-CZ 3.5Å; L769-Y822 HydrophobicContact CG-CE1 4.29Å
770	T	94.8	Very high	86.6	Confident	20 Å²	20	40.3 Å²	40.3	12%	0.123	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	-30	-179.2	56.4	0	0	0	0	113.2	I768 R789 F821 L823	I768-T770 PolarHBondContact O-N 3.41Å; T770-R789 PolarHBondContact O-N 3.37Å; T770-F821 PolarHBondContact N-O 2.66Å; T770-F821 PolarHBondContact OG1-O 3.14Å; T770-L823 HydrophobicContact CG2-CB 3.54Å; T770-L823 HydrophobicContact CG2-CD2 4.29Å
771	A	97.1	Very high	87.2	Confident	1 Å²	1	42 Å²	42	1%	0.008	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	157.3	175.5	0	0	0	0	0	112.9	C505 F787 F821	C505-A771 HydrophobicContact CB-CB 3.9Å; A771-F787 CarbonylContact C-O 3.56Å; A771-F787 WeakPolarHBondContact CA-O 3.33Å; A771-F787 WeakPolarHBondContact CB-O 3.33Å; A771-F821 HydrophobicContact CB-CB 3.97Å; A771-F821 HydrophobicContact CB-CD2 4.24Å; A771-F821 HydrophobicContact CB-CG 4.21Å; A771-F821 PolarHBondContact N-O 2.88Å; A771-F821 PolarHBondContact O-N 2.99Å
772	V	98.3	Very high	88.2	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	127.8	176.4	178.3	0	0	0	0	108.1	F744 L769 S786 F787 V812 A817 L819 L820	F744-V772 HydrophobicContact CE2-CG2 4.01Å; F744-V772 HydrophobicContact CZ-CG1 4.42Å; F744-V772 HydrophobicContact CZ-CG2 4.18Å; L769-V772 HydrophobicContact CD1-CG2 4.05Å; L769-V772 HydrophobicContact CD2-CG2 3.77Å; L769-V772 HydrophobicContact CG-CG2 4.22Å; V772-S786 CarbonylContact O-C 3.54Å; V772-S786 WeakPolarHBondContact O-CA 3.14Å; V772-F787 HydrophobicContact CB-CB 4.32Å; V772-F787 PolarHBondContact N-O 2.94Å; V772-F787 PolarHBondContact O-N 3.01Å; V772-V812 HydrophobicContact CG2-CG1 3.96Å; V772-A817 HydrophobicContact CG1-CB 3.81Å; V772-L819 CarbonylContact C-O 3.56Å; V772-L819 WeakPolarHBondContact CA-O 3.46Å; V772-L820 HydrophobicContact CB-CD2 4.37Å; V772-L820 HydrophobicContact CG1-CD2 3.89Å; V772-L820 HydrophobicContact CG2-CD2 3.87Å
773	I	98.4	Very high	89.6	Confident	0 Å²	0	40 Å²	40	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	126	164.9	-61.5	174.5	0	0	0	107	V502 C505 A581 Y784 Y818 L819 F821	V502-I773 HydrophobicContact CB-CD1 4.41Å; V502-I773 HydrophobicContact CG2-CD1 3.67Å; C505-I773 WeakPolarHBondContact SG-CG1 3.45Å; A581-I773 HydrophobicContact CB-CG2 4.42Å; I773-Y784 HydrophobicContact CG2-CD1 3.84Å; I773-Y818 WeakPolarHBondContact O-CA 3.48Å; I773-Y818 WeakPolarHBondContact O-CB 3.44Å; I773-Y818 PolarHBondContact O-N 2.98Å; I773-L819 HydrophobicContact CB-CB 4.02Å; I773-L819 HydrophobicContact CB-CD1 4.44Å; I773-L819 HydrophobicContact CB-CG 4.47Å; I773-L819 HydrophobicContact CD1-CB 4.37Å; I773-L819 HydrophobicContact CD1-CD1 3.81Å; I773-L819 HydrophobicContact CG1-CB 4.43Å; I773-L819 PolarHBondContact N-O 2.82Å; I773-L819 PolarHBondContact O-N 3.41Å; I773-L819 VanDerWaalsContact O-N 3.09Å; I773-F821 HydrophobicContact CD1-CE2 3.76Å; I773-F821 HydrophobicContact CD1-CZ 4.12Å; I773-F821 HydrophobicContact CG1-CE2 4.04Å
774	N	98	Very high	91	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	150.1	174.6	-61.6	-82	0	0	0	109.7	Y784 Y785 F787 T814 N816 A817	N774-Y784 WeakPolarHBondContact O-CA 3.31Å; N774-Y785 HydrophobicContact CB-CD1 4.3Å; N774-Y785 HydrophobicContact CB-CD2 3.99Å; N774-Y785 HydrophobicContact CB-CE1 3.78Å; N774-Y785 HydrophobicContact CB-CE2 3.44Å; N774-Y785 VanDerWaalsContact CB-CE2 3.44Å; N774-Y785 HydrophobicContact CB-CG 4.38Å; N774-Y785 WeakPolarHBondContact CB-OH 3.41Å; N774-Y785 PolarHBondContact N-O 2.98Å; N774-Y785 WeakPolarHBondContact ND2-CE2 3.32Å; N774-Y785 PolarHBondContact O-N 2.88Å; N774-Y785 VanDerWaalsContact O-N 3.16Å; N774-F787 VanDerWaalsContact ND2-CD2 3.33Å; N774-F787 WeakPolarHBondContact ND2-CD2 3.5Å; N774-F787 VanDerWaalsContact ND2-CE2 3.33Å; N774-F787 WeakPolarHBondContact ND2-CE2 3.41Å; N774-T814 PolarHBondContact OD1-OG1 3.13Å; N774-N816 CarbonylContact C-O 3.45Å; N774-N816 VanDerWaalsContact CA-O 3.23Å; N774-N816 WeakPolarHBondContact CA-O 3.4Å; N774-N816 HydrophobicContact CB-CB 4.04Å; N774-A817 WeakPolarHBondContact OD1-CA 3.5Å; N774-A817 PolarHBondContact OD1-N 3.32Å
775	H	96.3	Very high	91.9	Very high	7 Å²	7	29 Å²	29	3%	0.032	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	119	172.4	179.5	-99.8	0	0	0	110	F728 K737 T778 G782 H783 Y784 N816 Y818	F728-H775 AromaticContact CE1-CE1 3.87Å; F728-H775 AromaticContact CE1-ND1 3.91Å; F728-H775 AromaticContact CZ-CE1 3.6Å; F728-H775 AromaticContact CZ-ND1 3.48Å; F728-H775 WeakPolarHBondContact CZ-ND1 3.15Å; K737-H775 PolarHBondContact NZ-O 3.4Å; H775-T778 PolarHBondContact CE1-O 2.88Å; H775-G782 WeakPolarHBondContact NE2-CA 3.41Å; H775-H783 WeakPolarHBondContact CA-O 3.45Å; H775-Y784 HydrophobicContact CB-CD1 3.86Å; H775-Y784 HydrophobicContact CB-CE1 3.63Å; H775-Y784 AromaticContact CD2-CD1 3.75Å; H775-Y784 AromaticContact CD2-CD2 3.86Å; H775-Y784 AromaticContact CD2-CE1 3.39Å; H775-Y784 WeakPolarHBondContact CD2-CE1 3.43Å; H775-Y784 AromaticContact CD2-CE2 3.51Å; H775-Y784 AromaticContact CD2-CG 3.98Å; H775-Y784 AromaticContact CD2-CZ 3.26Å; H775-Y784 AromaticContact CG-CE1 3.75Å; H775-Y784 AromaticContact CG-CZ 3.97Å; H775-Y784 AromaticContact NE2-CZ 4Å; H775-N816 PolarHBondContact N-O 3.19Å; H775-Y818 HydrophobicContact CB-CG 4.4Å
776	E	92.9	Very high	92.5	Very high	22 Å²	22	25.9 Å²	25.9	10%	0.103	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	146.7	171.9	-83.4	177.4	-174.3	0	0	110.7	P456 G782 H783 Y785 N816	P456-E776 WeakPolarHBondContact CG-OE2 3.5Å; E776-G782 CarbonylContact O-C 3.46Å; E776-G782 WeakPolarHBondContact O-CA 3.4Å; E776-H783 PolarHBondContact N-O 2.9Å; E776-H783 PolarHBondContact O-N 3.48Å; E776-Y785 HydrophobicContact CB-CE1 4.36Å; E776-Y785 HydrophobicContact CG-CE1 3.79Å; E776-Y785 PolarHBondContact OE1-OH 3.39Å; E776-N816 HydrophobicContact CG-CB 4.28Å; E776-N816 WeakPolarHBondContact CG-ND2 3.34Å; E776-N816 PolarHBondContact OE1-ND2 3Å; E776-N816 VanDerWaalsContact OE1-ND2 3.07Å
777	G	90.1	Very high	92.8	Very high	36 Å²	36	20.5 Å²	20.5	37%	0.371	14%	0.139	S	C	.	.	E	Extended strand (participates in β ladder)	trans	101.6	-163.2	-177.1	0	0	0	0	0	113.9	K737 C781	K737-G777 WeakPolarHBondContact CD-O 3.37Å; K737-G777 PolarHBondContact NZ-O 3.41Å; G777-C781 CarbonylContact C-O 3.56Å
778	T	86	Confident	92.9	Very high	72 Å²	72	20.5 Å²	20.5	44%	0.442	14%	0.139	S	C	.	.			trans	-97.7	175.6	-170.2	66.1	0	0	0	0	112.5	H775 S780 C781	H775-T778 PolarHBondContact CE1-O 2.88Å; T778-S780 PolarHBondContact O-N 3.27Å; T778-S780 PolarHBondContact OG1-N 2.96Å; T778-S780 PolarHBondContact OG1-OG 3.28Å; T778-C781 PolarHBondContact N-O 2.94Å; T778-C781 PolarHBondContact OG1-N 3.45Å; T778-C781 VanDerWaalsContact OG1-N 3.12Å; T778-C781 PolarHBondContact OG1-O 2.67Å
779	A	79.9	Confident	92.8	Very high	38 Å²	38	21.1 Å²	21.1	31%	0.314	14%	0.139	S	C	.	.	S	Bend	trans	-63.5	-26.8	174.8	0	0	0	0	0	113.9	F728	F728-A779 HydrophobicContact CD1-CB 3.89Å; F728-A779 HydrophobicContact CE1-CB 4.4Å
780	S	76.9	Confident	92.4	Very high	95 Å²	95	22.7 Å²	22.7	66%	0.664	15%	0.146	S	C	*	.	S	Bend	trans	-99	-14.5	-177.6	52.9	0	0	0	0	114.3	T778	T778-S780 PolarHBondContact O-N 3.27Å; T778-S780 PolarHBondContact OG1-N 2.96Å; T778-S780 PolarHBondContact OG1-OG 3.28Å
781	C	82.1	Confident	91.7	Very high	45 Å²	45	25.4 Å²	25.4	30%	0.304	18%	0.177	S	C	.	.	S	Bend	trans	-160	131.1	-178.1	-178.5	0	0	0	0	110.7	G777 T778	G777-C781 CarbonylContact C-O 3.56Å; T778-C781 PolarHBondContact N-O 2.94Å; T778-C781 PolarHBondContact OG1-N 3.45Å; T778-C781 VanDerWaalsContact OG1-N 3.12Å; T778-C781 PolarHBondContact OG1-O 2.67Å
782	G	88.2	Confident	90.8	Very high	20 Å²	20	28 Å²	28	21%	0.206	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.4	-176.1	177.8	0	0	0	0	0	114.4	H775 E776	H775-G782 WeakPolarHBondContact NE2-CA 3.41Å; E776-G782 CarbonylContact O-C 3.46Å; E776-G782 WeakPolarHBondContact O-CA 3.4Å
783	H	93.9	Very high	89.8	Confident	27 Å²	27	30.6 Å²	30.6	13%	0.125	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	131.4	-178.8	-176.1	50.5	0	0	0	110.7	C497 H775 E776 D800 D801	C497-H783 VanDerWaalsContact CB-CE1 3.48Å; C497-H783 WeakPolarHBondContact CB-CE1 3.41Å; C497-H783 WeakPolarHBondContact CB-ND1 3.29Å; C497-H783 PolarHBondContact SG-ND1 3.33Å; C497-H783 VanDerWaalsContact SG-ND1 3.44Å; H775-H783 WeakPolarHBondContact CA-O 3.45Å; E776-H783 PolarHBondContact N-O 2.9Å; E776-H783 PolarHBondContact O-N 3.48Å; H783-D800 IonicContact CD2-OD1 3.23Å; H783-D800 IonicContact CE1-OD1 3.87Å; H783-D800 IonicContact NE2-OD1 3.39Å; H783-D800 PolarHBondContact NE2-OD1 2.98Å; H783-D800 IonicContact NE2-OD2 3.12Å; H783-D801 IonicContact CE1-OD2 2.87Å; H783-D801 PolarHBondContact CE1-OD2 3.39Å
784	Y	97.3	Very high	89	Confident	14 Å²	14	33 Å²	33	6%	0.055	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	136.3	176.4	-69.6	-82.9	0	0	0	111	C497 S501 D580 A581 I773 N774 H775 Y818	C497-Y784 WeakPolarHBondContact CB-O 3.49Å; C497-Y784 PolarHBondContact SG-N 2.83Å; S501-Y784 WeakPolarHBondContact OG-CB 3.06Å; D580-Y784 PolarHBondContact OD2-OH 3.45Å; A581-Y784 HydrophobicContact CB-CD1 3.7Å; A581-Y784 HydrophobicContact CB-CD2 4.46Å; A581-Y784 HydrophobicContact CB-CE1 3.56Å; A581-Y784 HydrophobicContact CB-CE2 4.35Å; A581-Y784 HydrophobicContact CB-CG 4.15Å; I773-Y784 HydrophobicContact CG2-CD1 3.84Å; N774-Y784 WeakPolarHBondContact O-CA 3.31Å; H775-Y784 HydrophobicContact CB-CD1 3.86Å; H775-Y784 HydrophobicContact CB-CE1 3.63Å; H775-Y784 AromaticContact CD2-CD1 3.75Å; H775-Y784 AromaticContact CD2-CD2 3.86Å; H775-Y784 AromaticContact CD2-CE1 3.39Å; H775-Y784 WeakPolarHBondContact CD2-CE1 3.43Å; H775-Y784 AromaticContact CD2-CE2 3.51Å; H775-Y784 AromaticContact CD2-CG 3.98Å; H775-Y784 AromaticContact CD2-CZ 3.26Å; H775-Y784 AromaticContact CG-CE1 3.75Å; H775-Y784 AromaticContact CG-CZ 3.97Å; H775-Y784 AromaticContact NE2-CZ 4Å; Y784-Y818 HydrophobicContact CD1-CD1 4.4Å; Y784-Y818 AromaticContact CE1-CD1 3.61Å; Y784-Y818 HydrophobicContact CE1-CD1 3.61Å; Y784-Y818 AromaticContact CE1-CE1 3.82Å; Y784-Y818 HydrophobicContact CE1-CE1 3.82Å
785	Y	98.1	Very high	88.6	Confident	2 Å²	2	33.1 Å²	33.1	1%	0.008	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	157	172.3	60	-86.1	0	0	0	109.6	N774 E776 F787 R798	N774-Y785 HydrophobicContact CB-CD1 4.3Å; N774-Y785 HydrophobicContact CB-CD2 3.99Å; N774-Y785 HydrophobicContact CB-CE1 3.78Å; N774-Y785 HydrophobicContact CB-CE2 3.44Å; N774-Y785 VanDerWaalsContact CB-CE2 3.44Å; N774-Y785 HydrophobicContact CB-CG 4.38Å; N774-Y785 WeakPolarHBondContact CB-OH 3.41Å; N774-Y785 PolarHBondContact N-O 2.98Å; N774-Y785 WeakPolarHBondContact ND2-CE2 3.32Å; N774-Y785 PolarHBondContact O-N 2.88Å; N774-Y785 VanDerWaalsContact O-N 3.16Å; E776-Y785 HydrophobicContact CB-CE1 4.36Å; E776-Y785 HydrophobicContact CG-CE1 3.79Å; E776-Y785 PolarHBondContact OE1-OH 3.39Å; Y785-F787 HydrophobicContact CD2-CD1 4.43Å; Y785-F787 AromaticContact CD2-CE1 3.89Å; Y785-F787 HydrophobicContact CD2-CE1 3.89Å; Y785-F787 HydrophobicContact CD2-CZ 4.4Å; Y785-F787 HydrophobicContact CE2-CD1 4.48Å; Y785-F787 AromaticContact CE2-CE1 3.64Å; Y785-F787 HydrophobicContact CE2-CE1 3.64Å; Y785-F787 AromaticContact CE2-CZ 3.69Å; Y785-F787 HydrophobicContact CE2-CZ 3.69Å; Y785-R798 HydrophobicContact CD2-CG 4.48Å
786	S	98.4	Very high	88.5	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	142.7	-173.9	59.4	0	0	0	0	112.8	Q504 C505 V772 C799	Q504-S786 VanDerWaalsContact CB-OG 3.3Å; Q504-S786 WeakPolarHBondContact CB-OG 3.46Å; C505-S786 VanDerWaalsContact SG-CB 3.5Å; V772-S786 CarbonylContact O-C 3.54Å; V772-S786 WeakPolarHBondContact O-CA 3.14Å; S786-C799 PolarHBondContact N-O 2.88Å; S786-C799 PolarHBondContact O-N 3.4Å; S786-C799 WeakPolarHBondContact OG-CB 3.28Å
787	F	98	Very high	88.6	Confident	8 Å²	8	31.8 Å²	31.8	4%	0.035	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	132.3	160.9	-56.8	-29.2	0	0	0	109.3	A771 V772 N774 Y785 W796 I797 R798 I807 V812 T814	A771-F787 CarbonylContact C-O 3.56Å; A771-F787 WeakPolarHBondContact CA-O 3.33Å; A771-F787 WeakPolarHBondContact CB-O 3.33Å; V772-F787 HydrophobicContact CB-CB 4.32Å; V772-F787 PolarHBondContact N-O 2.94Å; V772-F787 PolarHBondContact O-N 3.01Å; N774-F787 VanDerWaalsContact ND2-CD2 3.33Å; N774-F787 WeakPolarHBondContact ND2-CD2 3.5Å; N774-F787 VanDerWaalsContact ND2-CE2 3.33Å; N774-F787 WeakPolarHBondContact ND2-CE2 3.41Å; Y785-F787 HydrophobicContact CD2-CD1 4.43Å; Y785-F787 AromaticContact CD2-CE1 3.89Å; Y785-F787 HydrophobicContact CD2-CE1 3.89Å; Y785-F787 HydrophobicContact CD2-CZ 4.4Å; Y785-F787 HydrophobicContact CE2-CD1 4.48Å; Y785-F787 AromaticContact CE2-CE1 3.64Å; Y785-F787 HydrophobicContact CE2-CE1 3.64Å; Y785-F787 AromaticContact CE2-CZ 3.69Å; Y785-F787 HydrophobicContact CE2-CZ 3.69Å; F787-W796 HydrophobicContact CB-CE3 4.24Å; F787-W796 HydrophobicContact CB-CZ3 4.44Å; F787-I797 CarbonylContact C-O 3.43Å; F787-I797 VanDerWaalsContact CA-O 3.24Å; F787-I797 WeakPolarHBondContact CA-O 3.38Å; F787-R798 HydrophobicContact CD1-CB 3.86Å; F787-R798 HydrophobicContact CD1-CG 4.07Å; F787-R798 HydrophobicContact CE1-CB 3.84Å; F787-R798 HydrophobicContact CE1-CG 3.75Å; F787-I807 HydrophobicContact CB-CD1 4.14Å; F787-I807 HydrophobicContact CD1-CD1 3.52Å; F787-I807 HydrophobicContact CD2-CD1 4.02Å; F787-I807 HydrophobicContact CE1-CD1 3.8Å; F787-I807 HydrophobicContact CE2-CD1 4.25Å; F787-I807 HydrophobicContact CG-CD1 3.63Å; F787-I807 HydrophobicContact CZ-CD1 4.14Å; F787-V812 HydrophobicContact CD2-CB 4.44Å; F787-V812 HydrophobicContact CD2-CG1 4.22Å; F787-T814 HydrophobicContact CE2-CG2 3.88Å; F787-T814 HydrophobicContact CZ-CG2 4.46Å
788	C	96.2	Very high	89	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	142.3	-176.8	-64.5	0	0	0	0	110.1	H508 I797	H508-C788 HydrophobicContact CB-CB 3.64Å; C788-I797 HydrophobicContact CB-CD1 4.47Å; C788-I797 HydrophobicContact CB-CG1 4.04Å; C788-I797 PolarHBondContact N-O 3.36Å; C788-I797 VanDerWaalsContact O-CG1 3.28Å; C788-I797 WeakPolarHBondContact O-CG1 3.48Å; C788-I797 PolarHBondContact O-N 2.94Å
789	R	92.5	Very high	89.5	Confident	34 Å²	34	28.2 Å²	28.2	13%	0.128	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	142	166.2	-73.2	-170.3	176	-168.7	1.8	110.6	T746 L769 T770 P793 I795 W796 E809	T746-R789 PolarHBondContact O-NH2 3.46Å; L769-R789 WeakPolarHBondContact O-CD 3.28Å; L769-R789 VanDerWaalsContact O-CZ 3.3Å; L769-R789 PolarHBondContact O-NE 2.78Å; T770-R789 PolarHBondContact O-N 3.37Å; R789-P793 PolarHBondContact NE-O 3.35Å; R789-P793 PolarHBondContact NH1-O 2.71Å; R789-I795 WeakPolarHBondContact CA-O 3.49Å; R789-W796 HydrophobicContact CG-CD2 3.77Å; R789-W796 HydrophobicContact CG-CE3 3.94Å; R789-W796 HydrophobicContact CG-CH2 3.67Å; R789-W796 HydrophobicContact CG-CZ2 3.5Å; R789-W796 HydrophobicContact CG-CZ3 3.89Å; R789-E809 IonicContact NH2-OE1 2.67Å
790	Y	86.9	Confident	90.3	Very high	35 Å²	35	27 Å²	27	14%	0.137	18%	0.176	C	C	.	.			trans	-135.4	110.3	-176.3	179.9	-100.5	0	0	0	112.9	L475 A485 L487 H508 K552 D792 I795 I797	L475-Y790 HydrophobicContact CD2-CD1 4.15Å; L475-Y790 HydrophobicContact CD2-CE1 3.75Å; A485-Y790 HydrophobicContact CB-CE1 4.49Å; A485-Y790 WeakPolarHBondContact CB-OH 3.34Å; L487-Y790 HydrophobicContact CD2-CD1 4.03Å; L487-Y790 HydrophobicContact CD2-CD2 4.1Å; L487-Y790 HydrophobicContact CD2-CE1 3.9Å; L487-Y790 HydrophobicContact CD2-CE2 3.99Å; L487-Y790 HydrophobicContact CD2-CG 4.12Å; H508-Y790 AromaticContact CE1-CD2 3.79Å; K552-Y790 PolarHBondContact NZ-OH 2.83Å; Y790-D792 PolarHBondContact O-N 2.81Å; Y790-I795 HydrophobicContact CD1-CG2 4.46Å; Y790-I795 PolarHBondContact N-O 2.9Å; Y790-I795 WeakPolarHBondContact O-CB 3.47Å; Y790-I797 HydrophobicContact CD2-CD1 4.33Å; Y790-I797 HydrophobicContact CG-CD1 4.39Å; Y790-I797 HydrophobicContact CG-CG2 4.35Å
791	G	80.7	Confident	91.2	Very high	77 Å²	77	22.8 Å²	22.8	79%	0.794	15%	0.145	S	C	*	.	S	Bend	trans	71.8	-99.2	177.7	0	0	0	0	0	110.9
792	D	78.1	Confident	91.8	Very high	57 Å²	57	24.2 Å²	24.2	31%	0.305	15%	0.147	S	C	.	.	S	Bend	trans	-69.1	140.4	176.7	-171.7	-87.1	0	0	0	110.8	F474 Y790 S794 I795	F474-D792 HydrophobicContact CE1-CB 3.96Å; F474-D792 HydrophobicContact CZ-CB 4.35Å; Y790-D792 PolarHBondContact O-N 2.81Å; D792-S794 PolarHBondContact O-N 3.26Å; D792-S794 VanDerWaalsContact OD1-CB 3.29Å; D792-S794 WeakPolarHBondContact OD1-CB 3.46Å; D792-S794 PolarHBondContact OD1-N 3.33Å; D792-S794 PolarHBondContact OD1-OG 3.06Å; D792-I795 HydrophobicContact CB-CD1 3.97Å; D792-I795 HydrophobicContact CB-CG1 4.1Å; D792-I795 PolarHBondContact O-N 3.21Å
793	P	77	Confident	92	Very high	53 Å²	53	26.1 Å²	26.1	34%	0.344	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-21.8	178.8	-27.3	35.8	0	0	0	115.5	R789	R789-P793 PolarHBondContact NE-O 3.35Å; R789-P793 PolarHBondContact NH1-O 2.71Å
794	S	80.8	Confident	92	Very high	52 Å²	52	26.4 Å²	26.4	36%	0.364	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-14.1	178.6	65.9	0	0	0	0	114.5	D792	D792-S794 PolarHBondContact O-N 3.26Å; D792-S794 VanDerWaalsContact OD1-CB 3.29Å; D792-S794 WeakPolarHBondContact OD1-CB 3.46Å; D792-S794 PolarHBondContact OD1-N 3.33Å; D792-S794 PolarHBondContact OD1-OG 3.06Å
795	I	90.3	Very high	91.8	Very high	2 Å²	2	28.5 Å²	28.5	1%	0.01	18%	0.182	C	C	.	.			trans	-93.9	120.5	-175.5	-60.9	175.5	0	0	0	109.6	C471 F474 L475 R789 Y790 D792	C471-I795 HydrophobicContact CB-CD1 4.47Å; C471-I795 HydrophobicContact CB-CG1 4.09Å; F474-I795 HydrophobicContact CD1-CD1 3.71Å; F474-I795 HydrophobicContact CE1-CD1 4.3Å; L475-I795 HydrophobicContact CD2-CD1 4.18Å; L475-I795 HydrophobicContact CG-CD1 4.12Å; R789-I795 WeakPolarHBondContact CA-O 3.49Å; Y790-I795 HydrophobicContact CD1-CG2 4.46Å; Y790-I795 PolarHBondContact N-O 2.9Å; Y790-I795 WeakPolarHBondContact O-CB 3.47Å; D792-I795 HydrophobicContact CB-CD1 3.97Å; D792-I795 HydrophobicContact CB-CG1 4.1Å; D792-I795 PolarHBondContact O-N 3.21Å
796	W	94.7	Very high	91.6	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	141.6	173.8	-72.4	89	0	0	0	110.9	L769 F787 R789 I806 I807 V812	L769-W796 HydrophobicContact CB-CH2 4.38Å; L769-W796 HydrophobicContact CD2-CH2 3.77Å; L769-W796 HydrophobicContact CD2-CZ2 4.25Å; L769-W796 HydrophobicContact CG-CH2 3.87Å; F787-W796 HydrophobicContact CB-CE3 4.24Å; F787-W796 HydrophobicContact CB-CZ3 4.44Å; R789-W796 HydrophobicContact CG-CD2 3.77Å; R789-W796 HydrophobicContact CG-CE3 3.94Å; R789-W796 HydrophobicContact CG-CH2 3.67Å; R789-W796 HydrophobicContact CG-CZ2 3.5Å; R789-W796 HydrophobicContact CG-CZ3 3.89Å; W796-I806 WeakPolarHBondContact O-CA 3.29Å; W796-I807 HydrophobicContact CB-CD1 4.27Å; W796-I807 HydrophobicContact CB-CG1 3.67Å; W796-I807 PolarHBondContact O-N 3.04Å; W796-V812 HydrophobicContact CB-CG2 4.08Å; W796-V812 HydrophobicContact CD2-CG1 4.43Å; W796-V812 HydrophobicContact CD2-CG2 3.49Å; W796-V812 VanDerWaalsContact CD2-CG2 3.49Å; W796-V812 HydrophobicContact CE3-CG1 4.13Å; W796-V812 HydrophobicContact CE3-CG2 3.78Å; W796-V812 HydrophobicContact CG-CG2 3.64Å; W796-V812 HydrophobicContact CH2-CG1 3.97Å; W796-V812 HydrophobicContact CZ2-CG1 4.25Å; W796-V812 HydrophobicContact CZ2-CG2 4.43Å; W796-V812 HydrophobicContact CZ3-CG1 3.91Å; W796-V812 HydrophobicContact CZ3-CG2 4.38Å
797	I	95.4	Very high	91.4	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.005	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	145.7	173.6	60.7	170.2	0	0	0	110.4	L487 H508 F787 C788 Y790 V804 S805 I806	L487-I797 HydrophobicContact CD1-CG2 3.94Å; L487-I797 HydrophobicContact CD2-CD1 4.14Å; L487-I797 HydrophobicContact CD2-CG2 4.03Å; H508-I797 VanDerWaalsContact CE1-CD1 3.48Å; H508-I797 WeakPolarHBondContact CE1-CD1 3.27Å; F787-I797 CarbonylContact C-O 3.43Å; F787-I797 VanDerWaalsContact CA-O 3.24Å; F787-I797 WeakPolarHBondContact CA-O 3.38Å; C788-I797 HydrophobicContact CB-CD1 4.47Å; C788-I797 HydrophobicContact CB-CG1 4.04Å; C788-I797 PolarHBondContact N-O 3.36Å; C788-I797 VanDerWaalsContact O-CG1 3.28Å; C788-I797 WeakPolarHBondContact O-CG1 3.48Å; C788-I797 PolarHBondContact O-N 2.94Å; Y790-I797 HydrophobicContact CD2-CD1 4.33Å; Y790-I797 HydrophobicContact CG-CD1 4.39Å; Y790-I797 HydrophobicContact CG-CG2 4.35Å; I797-V804 HydrophobicContact CB-CG1 4.21Å; I797-V804 HydrophobicContact CD1-CG1 3.97Å; I797-S805 CarbonylContact C-O 3.55Å; I797-S805 WeakPolarHBondContact CA-O 3.44Å; I797-S805 WeakPolarHBondContact CB-O 3.39Å; I797-I806 HydrophobicContact CG2-CG1 4.16Å
798	R	97.2	Very high	91.1	Very high	30 Å²	30	30 Å²	30	11%	0.113	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	119.1	166.6	171.8	178.9	178.7	131.5	1.9	108.5	Y785 F787 D800 V804 S805 I807	Y785-R798 HydrophobicContact CD2-CG 4.48Å; F787-R798 HydrophobicContact CD1-CB 3.86Å; F787-R798 HydrophobicContact CD1-CG 4.07Å; F787-R798 HydrophobicContact CE1-CB 3.84Å; F787-R798 HydrophobicContact CE1-CG 3.75Å; R798-D800 HydrophobicContact CG-CB 4.46Å; R798-D800 IonicContact CZ-OD2 2.89Å; R798-D800 IonicContact NE-OD2 2.97Å; R798-D800 IonicContact NH2-OD2 3.63Å; R798-D800 PolarHBondContact NH2-OD2 2.57Å; R798-V804 VanDerWaalsContact O-CA 3.26Å; R798-V804 WeakPolarHBondContact O-CA 3.44Å; R798-S805 PolarHBondContact N-O 3.38Å; R798-S805 PolarHBondContact O-N 3.34Å; R798-I807 HydrophobicContact CB-CG2 3.77Å
799	C	96.9	Very high	90.8	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.014	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	107.9	171.1	-45.4	0	0	0	0	108.7	Q504 S786 V804	Q504-C799 HydrophobicContact CB-CB 4.12Å; Q504-C799 HydrophobicContact CG-CB 3.72Å; Q504-C799 PolarHBondContact OE1-SG 3.24Å; S786-C799 PolarHBondContact N-O 2.88Å; S786-C799 PolarHBondContact O-N 3.4Å; S786-C799 WeakPolarHBondContact OG-CB 3.28Å; C799-V804 HydrophobicContact CB-CG2 4.41Å
800	D	96.5	Very high	90.7	Very high	14 Å²	14	34 Å²	34	8%	0.075	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	85.4	178.9	-172.9	-25.9	0	0	0	107.9	K455 H783 R798 E802 A803	K455-D800 IonicContact NZ-OD1 3.9Å; K455-D800 PolarHBondContact NZ-OD1 3.26Å; K455-D800 VanDerWaalsContact NZ-OD1 3.08Å; H783-D800 IonicContact CD2-OD1 3.23Å; H783-D800 IonicContact CE1-OD1 3.87Å; H783-D800 IonicContact NE2-OD1 3.39Å; H783-D800 PolarHBondContact NE2-OD1 2.98Å; H783-D800 IonicContact NE2-OD2 3.12Å; R798-D800 HydrophobicContact CG-CB 4.46Å; R798-D800 IonicContact CZ-OD2 2.89Å; R798-D800 IonicContact NE-OD2 2.97Å; R798-D800 IonicContact NH2-OD2 3.63Å; R798-D800 PolarHBondContact NH2-OD2 2.57Å; D800-E802 PolarHBondContact O-N 3.05Å; D800-E802 VanDerWaalsContact O-N 3.14Å; D800-A803 PolarHBondContact N-O 3.04Å; D800-A803 PolarHBondContact O-N 2.93Å
801	D	95.4	Very high	91	Very high	5 Å²	5	34.2 Å²	34.2	3%	0.027	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.6	-115.1	-169.1	-58.7	-43.6	0	0	0	111.6	K455 G489 L490 N492 N500 H783 A803	K455-D801 IonicContact NZ-OD2 3.7Å; K455-D801 PolarHBondContact NZ-OD2 3.17Å; G489-D801 CarbonylContact C-O 3.42Å; G489-D801 WeakPolarHBondContact CA-O 3.46Å; L490-D801 PolarHBondContact N-O 3.36Å; L490-D801 CarbonylContact O-C 3.59Å; L490-D801 WeakPolarHBondContact O-CA 3.41Å; L490-D801 WeakPolarHBondContact O-CB 3.28Å; N492-D801 HydrophobicContact CB-CB 4.11Å; N492-D801 PolarHBondContact ND2-OD2 3.12Å; N500-D801 PolarHBondContact ND2-OD1 2.88Å; H783-D801 IonicContact CE1-OD2 2.87Å; H783-D801 PolarHBondContact CE1-OD2 3.39Å; D801-A803 VanDerWaalsContact C-N 3.3Å; D801-A803 PolarHBondContact O-N 2.94Å
802	E	94.6	Very high	91.7	Very high	75 Å²	75	30.5 Å²	30.5	35%	0.35	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-26.1	-178.5	-55.3	80.6	-174.7	0	0	112.5	K455 L490 V491 N492 A556 D800	K455-E802 IonicContact NZ-OE2 3.08Å; L490-E802 PolarHBondContact O-N 2.74Å; L490-E802 VanDerWaalsContact O-N 3.13Å; V491-E802 VanDerWaalsContact CA-OE1 3.25Å; V491-E802 WeakPolarHBondContact CA-OE1 3.45Å; V491-E802 HydrophobicContact CB-CG 4.42Å; V491-E802 HydrophobicContact CG2-CG 4.15Å; N492-E802 PolarHBondContact N-OE1 3.21Å; A556-E802 HydrophobicContact CB-CB 3.89Å; A556-E802 HydrophobicContact CB-CG 3.96Å; D800-E802 PolarHBondContact O-N 3.05Å; D800-E802 VanDerWaalsContact O-N 3.14Å
803	A	93.1	Very high	92.6	Very high	61 Å²	61	29.1 Å²	29.1	50%	0.504	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	116	-175.1	0	0	0	0	0	110.1	D800 D801	D800-A803 PolarHBondContact N-O 3.04Å; D800-A803 PolarHBondContact O-N 2.93Å; D801-A803 VanDerWaalsContact C-N 3.3Å; D801-A803 PolarHBondContact O-N 2.94Å
804	V	94.4	Very high	93.4	Very high	33 Å²	33	27.9 Å²	27.9	20%	0.2	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	122.4	172.4	-165.1	0	0	0	0	110.3	L487 G489 I797 R798 C799	L487-V804 HydrophobicContact CB-CB 3.76Å; L487-V804 HydrophobicContact CB-CG1 3.64Å; L487-V804 HydrophobicContact CD1-CG1 4.02Å; L487-V804 HydrophobicContact CG-CG1 4.27Å; G489-V804 VanDerWaalsContact CA-CG2 3.45Å; I797-V804 HydrophobicContact CB-CG1 4.21Å; I797-V804 HydrophobicContact CD1-CG1 3.97Å; R798-V804 VanDerWaalsContact O-CA 3.26Å; R798-V804 WeakPolarHBondContact O-CA 3.44Å; C799-V804 HydrophobicContact CB-CG2 4.41Å
805	S	93	Very high	94	Very high	57 Å²	57	31.7 Å²	31.7	40%	0.399	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	159.1	-178.8	61.8	0	0	0	0	111.3	I797 R798	I797-S805 CarbonylContact C-O 3.55Å; I797-S805 WeakPolarHBondContact CA-O 3.44Å; I797-S805 WeakPolarHBondContact CB-O 3.39Å; R798-S805 PolarHBondContact N-O 3.38Å; R798-S805 PolarHBondContact O-N 3.34Å
806	I	93.7	Very high	94.2	Very high	19 Å²	19	32.9 Å²	32.9	10%	0.097	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	139.8	173.1	-61.9	173.2	0	0	0	108.2	I468 C471 L472 L475 L487 W796 I797	I468-I806 HydrophobicContact CG1-CG2 4.45Å; I468-I806 HydrophobicContact CG2-CB 4.46Å; I468-I806 HydrophobicContact CG2-CG2 4.42Å; C471-I806 HydrophobicContact CB-CG2 4.06Å; L472-I806 HydrophobicContact CD2-CD1 3.48Å; L472-I806 VanDerWaalsContact CD2-CD1 3.48Å; L472-I806 HydrophobicContact CG-CD1 3.92Å; L475-I806 HydrophobicContact CD1-CD1 3.35Å; L475-I806 HydrophobicContact CD1-CG1 4.42Å; L487-I806 HydrophobicContact CD1-CG1 4.15Å; W796-I806 WeakPolarHBondContact O-CA 3.29Å; I797-I806 HydrophobicContact CG2-CG1 4.16Å
807	I	93.8	Very high	94.4	Very high	21 Å²	21	32.9 Å²	32.9	11%	0.108	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	157.1	176.2	62.5	172.4	0	0	0	110.1	F787 W796 R798 V812	F787-I807 HydrophobicContact CB-CD1 4.14Å; F787-I807 HydrophobicContact CD1-CD1 3.52Å; F787-I807 HydrophobicContact CD2-CD1 4.02Å; F787-I807 HydrophobicContact CE1-CD1 3.8Å; F787-I807 HydrophobicContact CE2-CD1 4.25Å; F787-I807 HydrophobicContact CG-CD1 3.63Å; F787-I807 HydrophobicContact CZ-CD1 4.14Å; W796-I807 HydrophobicContact CB-CD1 4.27Å; W796-I807 HydrophobicContact CB-CG1 3.67Å; W796-I807 PolarHBondContact O-N 3.04Å; R798-I807 HydrophobicContact CB-CG2 3.77Å; I807-V812 HydrophobicContact CD1-CG2 4.09Å
808	S	92	Very high	94.4	Very high	2 Å²	2	33 Å²	33	1%	0.014	19%	0.187	C	C	.	.			trans	-69.4	152.3	169.7	56.2	0	0	0	0	110.7	D464 Q467 S810 S811	D464-S808 WeakPolarHBondContact OD1-CB 3.36Å; D464-S808 PolarHBondContact OD1-OG 3.33Å; Q467-S808 VanDerWaalsContact OE1-CB 3.23Å; S808-S810 VanDerWaalsContact C-N 3.25Å; S808-S810 WeakPolarHBondContact CB-OG 3.13Å; S808-S810 PolarHBondContact O-N 2.93Å; S808-S810 PolarHBondContact OG-OG 3.38Å; S808-S810 VanDerWaalsContact OG-OG 3.1Å; S808-S811 WeakPolarHBondContact O-CB 3.31Å; S808-S811 PolarHBondContact O-N 2.86Å; S808-S811 VanDerWaalsContact O-N 3.15Å; S808-S811 WeakPolarHBondContact OG-CB 3.41Å; S808-S811 PolarHBondContact OG-OG 3.49Å
809	E	89.9	Confident	94.5	Very high	32 Å²	32	31.6 Å²	31.6	15%	0.15	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-65	-32	176.1	179.4	166.7	-140.6	0	0	112.2	V747 R789 S811 V812	V747-E809 HydrophobicContact CG2-CG 4.18Å; V747-E809 WeakPolarHBondContact CG2-OE1 3.35Å; V747-E809 WeakPolarHBondContact CG2-OE2 3.5Å; R789-E809 IonicContact NH2-OE1 2.67Å; E809-S811 PolarHBondContact O-N 3.38Å; E809-V812 WeakPolarHBondContact O-CB 3.4Å; E809-V812 WeakPolarHBondContact O-CG2 3.26Å; E809-V812 PolarHBondContact O-N 3.15Å
810	S	90.8	Very high	94.5	Very high	85 Å²	85	31.6 Å²	31.6	59%	0.594	18%	0.182	S	C	*	.	G	3₁₀ helix	trans	-61.8	-25.4	174	49.4	0	0	0	0	113.1	D464 S808	D464-S810 PolarHBondContact OD1-OG 2.84Å; S808-S810 VanDerWaalsContact C-N 3.25Å; S808-S810 WeakPolarHBondContact CB-OG 3.13Å; S808-S810 PolarHBondContact O-N 2.93Å; S808-S810 PolarHBondContact OG-OG 3.38Å; S808-S810 VanDerWaalsContact OG-OG 3.1Å
811	S	93.2	Very high	94.6	Very high	40 Å²	40	31 Å²	31	28%	0.28	18%	0.178	S	C	.	.	G	3₁₀ helix	trans	-84.6	-4.9	179.8	-66.2	0	0	0	0	114.3	S808 E809 T814	S808-S811 WeakPolarHBondContact O-CB 3.31Å; S808-S811 PolarHBondContact O-N 2.86Å; S808-S811 VanDerWaalsContact O-N 3.15Å; S808-S811 WeakPolarHBondContact OG-CB 3.41Å; S808-S811 PolarHBondContact OG-OG 3.49Å; E809-S811 PolarHBondContact O-N 3.38Å; S811-T814 VanDerWaalsContact O-CG2 3.27Å; S811-T814 WeakPolarHBondContact O-CG2 3.49Å
812	V	95.8	Very high	94.6	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	18%	0.177	C	C	.	.	S	Bend	trans	-75.5	-38.2	-173.9	176.3	0	0	0	0	112	T746 L769 V772 F787 W796 I807 E809 T814	T746-V812 HydrophobicContact CG2-CB 3.97Å; T746-V812 HydrophobicContact CG2-CG1 4Å; L769-V812 HydrophobicContact CD2-CG1 4.03Å; V772-V812 HydrophobicContact CG2-CG1 3.96Å; F787-V812 HydrophobicContact CD2-CB 4.44Å; F787-V812 HydrophobicContact CD2-CG1 4.22Å; W796-V812 HydrophobicContact CB-CG2 4.08Å; W796-V812 HydrophobicContact CD2-CG1 4.43Å; W796-V812 HydrophobicContact CD2-CG2 3.49Å; W796-V812 VanDerWaalsContact CD2-CG2 3.49Å; W796-V812 HydrophobicContact CE3-CG1 4.13Å; W796-V812 HydrophobicContact CE3-CG2 3.78Å; W796-V812 HydrophobicContact CG-CG2 3.64Å; W796-V812 HydrophobicContact CH2-CG1 3.97Å; W796-V812 HydrophobicContact CZ2-CG1 4.25Å; W796-V812 HydrophobicContact CZ2-CG2 4.43Å; W796-V812 HydrophobicContact CZ3-CG1 3.91Å; W796-V812 HydrophobicContact CZ3-CG2 4.38Å; I807-V812 HydrophobicContact CD1-CG2 4.09Å; E809-V812 WeakPolarHBondContact O-CB 3.4Å; E809-V812 WeakPolarHBondContact O-CG2 3.26Å; E809-V812 PolarHBondContact O-N 3.15Å; V812-T814 PolarHBondContact O-N 2.63Å
813	C	95.7	Very high	94.6	Very high	27 Å²	27	27.3 Å²	27.3	18%	0.182	16%	0.161	C	C	.	.			trans	-79.5	107	178.7	-167.9	0	0	0	0	109.7	F741 F744 T746	F741-C813 VanDerWaalsContact CZ-SG 3.56Å; F744-C813 HydrophobicContact CE2-CB 4.32Å; F744-C813 HydrophobicContact CZ-CB 4.23Å; T746-C813 HydrophobicContact CG2-CB 4.2Å
814	T	94.3	Very high	94.5	Very high	28 Å²	28	24.4 Å²	24.4	17%	0.172	14%	0.137	C	C	.	.			trans	-132.7	159.6	-177.2	81.7	0	0	0	0	111.7	N774 F787 S811 V812 N816 A817	N774-T814 PolarHBondContact OD1-OG1 3.13Å; F787-T814 HydrophobicContact CE2-CG2 3.88Å; F787-T814 HydrophobicContact CZ-CG2 4.46Å; S811-T814 VanDerWaalsContact O-CG2 3.27Å; S811-T814 WeakPolarHBondContact O-CG2 3.49Å; V812-T814 PolarHBondContact O-N 2.63Å; T814-N816 PolarHBondContact O-N 3.05Å; T814-N816 PolarHBondContact OG1-N 2.94Å; T814-A817 WeakPolarHBondContact O-CB 3.31Å; T814-A817 PolarHBondContact O-N 2.93Å
815	R	93.5	Very high	94.3	Very high	132 Å²	132	26.2 Å²	26.2	50%	0.498	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-19.8	173	73.1	-176.4	-17.6	174.7	7.4	114	R727 E739 F741	R727-R815 VanDerWaalsContact CZ-O 3.28Å; R727-R815 PolarHBondContact NH1-O 3.09Å; R727-R815 PolarHBondContact NH2-O 3.19Å; E739-R815 PolarHBondContact O-NE 2.94Å; F741-R815 HydrophobicContact CD2-CB 4.26Å
816	N	95.4	Very high	94	Very high	26 Å²	26	28.1 Å²	28.1	14%	0.139	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-7.3	-177.4	-63.9	-29.1	0	0	0	112.7	N774 H775 E776 T814 Y818	N774-N816 CarbonylContact C-O 3.45Å; N774-N816 VanDerWaalsContact CA-O 3.23Å; N774-N816 WeakPolarHBondContact CA-O 3.4Å; N774-N816 HydrophobicContact CB-CB 4.04Å; H775-N816 PolarHBondContact N-O 3.19Å; E776-N816 HydrophobicContact CG-CB 4.28Å; E776-N816 WeakPolarHBondContact CG-ND2 3.34Å; E776-N816 PolarHBondContact OE1-ND2 3Å; E776-N816 VanDerWaalsContact OE1-ND2 3.07Å; T814-N816 PolarHBondContact O-N 3.05Å; T814-N816 PolarHBondContact OG1-N 2.94Å; N816-Y818 PolarHBondContact O-N 3.26Å
817	A	97.2	Very high	93.7	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57	125.1	-179.6	0	0	0	0	0	110.9	L725 R727 F744 V772 N774 T814 L820	L725-A817 WeakPolarHBondContact CD1-O 3.45Å; R727-A817 VanDerWaalsContact CZ-O 3.32Å; R727-A817 PolarHBondContact NE-O 3.32Å; R727-A817 PolarHBondContact NH2-O 2.69Å; R727-A817 VanDerWaalsContact NH2-O 3.08Å; F744-A817 HydrophobicContact CE1-CB 3.44Å; F744-A817 VanDerWaalsContact CE1-CB 3.44Å; F744-A817 HydrophobicContact CZ-CB 3.77Å; V772-A817 HydrophobicContact CG1-CB 3.81Å; N774-A817 WeakPolarHBondContact OD1-CA 3.5Å; N774-A817 PolarHBondContact OD1-N 3.32Å; T814-A817 WeakPolarHBondContact O-CB 3.31Å; T814-A817 PolarHBondContact O-N 2.93Å; A817-L820 HydrophobicContact CB-CD2 4.2Å
818	Y	97.1	Very high	93	Very high	3 Å²	3	31.8 Å²	31.8	1%	0.012	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	-51.5	-172.1	177.9	-125.2	0	0	0	112	D580 A581 Q582 H724 L725 F728 I773 H775 Y784 N816	D580-Y818 PolarHBondContact OD1-OH 3.35Å; D580-Y818 PolarHBondContact OD2-OH 3.25Å; A581-Y818 HydrophobicContact CB-CE1 4.39Å; Q582-Y818 HydrophobicContact CB-CE1 3.94Å; Q582-Y818 WeakPolarHBondContact CB-OH 3.23Å; H724-Y818 AromaticContact CD2-CE2 3.45Å; H724-Y818 VanDerWaalsContact CD2-CE2 3.45Å; H724-Y818 WeakPolarHBondContact CD2-CE2 3.26Å; H724-Y818 AromaticContact CD2-CZ 3.76Å; H724-Y818 AromaticContact NE2-CE2 3.28Å; H724-Y818 VanDerWaalsContact NE2-CE2 3.28Å; H724-Y818 WeakPolarHBondContact NE2-CE2 3.47Å; H724-Y818 AromaticContact NE2-CZ 3.58Å; H724-Y818 PolarHBondContact NE2-OH 3.46Å; L725-Y818 PolarHBondContact N-O 3.44Å; F728-Y818 AromaticContact CD2-CE2 3.96Å; F728-Y818 HydrophobicContact CD2-CE2 3.96Å; F728-Y818 HydrophobicContact CE2-CD2 4.31Å; F728-Y818 HydrophobicContact CE2-CE1 4.5Å; F728-Y818 AromaticContact CE2-CE2 3.63Å; F728-Y818 HydrophobicContact CE2-CE2 3.63Å; F728-Y818 AromaticContact CE2-CZ 3.73Å; I773-Y818 WeakPolarHBondContact O-CA 3.48Å; I773-Y818 WeakPolarHBondContact O-CB 3.44Å; I773-Y818 PolarHBondContact O-N 2.98Å; H775-Y818 HydrophobicContact CB-CG 4.4Å; Y784-Y818 HydrophobicContact CD1-CD1 4.4Å; Y784-Y818 AromaticContact CE1-CD1 3.61Å; Y784-Y818 HydrophobicContact CE1-CD1 3.61Å; Y784-Y818 AromaticContact CE1-CE1 3.82Å; Y784-Y818 HydrophobicContact CE1-CE1 3.82Å; N816-Y818 PolarHBondContact O-N 3.26Å
819	L	98	Very high	91.8	Very high	2 Å²	2	38.4 Å²	38.4	1%	0.01	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	136.5	173.3	-55.3	170.5	0	0	0	109.9	A581 Q582 L585 V723 H724 V772 I773 F821	A581-L819 HydrophobicContact CB-CD1 4.37Å; Q582-L819 HydrophobicContact CB-CD1 4.27Å; Q582-L819 HydrophobicContact CB-CD2 3.99Å; Q582-L819 HydrophobicContact CG-CD2 3.84Å; L585-L819 HydrophobicContact CD2-CD1 4.25Å; V723-L819 CarbonylContact O-C 3.53Å; V723-L819 VanDerWaalsContact O-CA 3.3Å; V723-L819 WeakPolarHBondContact O-CA 3.32Å; H724-L819 HydrophobicContact CB-CD2 3.56Å; V772-L819 CarbonylContact C-O 3.56Å; V772-L819 WeakPolarHBondContact CA-O 3.46Å; I773-L819 HydrophobicContact CB-CB 4.02Å; I773-L819 HydrophobicContact CB-CD1 4.44Å; I773-L819 HydrophobicContact CB-CG 4.47Å; I773-L819 HydrophobicContact CD1-CB 4.37Å; I773-L819 HydrophobicContact CD1-CD1 3.81Å; I773-L819 HydrophobicContact CG1-CB 4.43Å; I773-L819 PolarHBondContact N-O 2.82Å; I773-L819 PolarHBondContact O-N 3.41Å; I773-L819 VanDerWaalsContact O-N 3.09Å; L819-F821 HydrophobicContact CB-CE2 4.09Å
820	L	98.1	Very high	90.1	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.005	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	130	177.3	-45.9	172.4	0	0	0	109.2	L678 V723 F744 L769 V772 A817 Y822	L678-L820 HydrophobicContact CD1-CD1 4.31Å; L678-L820 HydrophobicContact CD2-CD1 4Å; V723-L820 HydrophobicContact CB-CB 4.1Å; V723-L820 HydrophobicContact CB-CD1 4.31Å; V723-L820 HydrophobicContact CB-CG 4.42Å; V723-L820 HydrophobicContact CG1-CD1 4.31Å; V723-L820 PolarHBondContact N-O 3.33Å; V723-L820 PolarHBondContact O-N 3.16Å; F744-L820 HydrophobicContact CB-CD1 4.15Å; F744-L820 HydrophobicContact CD1-CD1 4.02Å; F744-L820 HydrophobicContact CD1-CD2 4.1Å; F744-L820 HydrophobicContact CD2-CD1 4.44Å; F744-L820 HydrophobicContact CD2-CD2 4.22Å; F744-L820 HydrophobicContact CE1-CD2 3.85Å; F744-L820 HydrophobicContact CE2-CD2 3.96Å; F744-L820 HydrophobicContact CG-CD1 3.95Å; F744-L820 HydrophobicContact CG-CD2 4.29Å; F744-L820 HydrophobicContact CZ-CD2 3.75Å; L769-L820 HydrophobicContact CD1-CB 3.99Å; L769-L820 HydrophobicContact CD1-CD2 4.47Å; V772-L820 HydrophobicContact CB-CD2 4.37Å; V772-L820 HydrophobicContact CG1-CD2 3.89Å; V772-L820 HydrophobicContact CG2-CD2 3.87Å; A817-L820 HydrophobicContact CB-CD2 4.2Å; L820-Y822 HydrophobicContact CB-CD2 4.12Å; L820-Y822 HydrophobicContact CB-CE2 3.57Å; L820-Y822 HydrophobicContact CD1-CE2 4Å; L820-Y822 HydrophobicContact CG-CE2 4.43Å
821	F	97.4	Very high	87.8	Confident	1 Å²	1	44.8 Å²	44.8	0%	0.004	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	117.5	177.7	-68.4	-112.4	0	0	0	108.1	C505 L506 L585 M720 L722 T770 A771 I773 L819	C505-F821 HydrophobicContact CB-CD1 4.37Å; C505-F821 HydrophobicContact CB-CD2 4.16Å; C505-F821 HydrophobicContact CB-CE1 4.09Å; C505-F821 HydrophobicContact CB-CE2 3.87Å; C505-F821 HydrophobicContact CB-CG 4.42Å; C505-F821 HydrophobicContact CB-CZ 3.84Å; L506-F821 HydrophobicContact CD2-CE1 4.1Å; L585-F821 HydrophobicContact CD1-CZ 4.33Å; L585-F821 HydrophobicContact CD2-CE1 4.42Å; L585-F821 HydrophobicContact CD2-CZ 3.88Å; M720-F821 HydrophobicContact CE-CB 4.15Å; M720-F821 HydrophobicContact CE-CD1 4.17Å; L722-F821 HydrophobicContact CD2-CB 4.25Å; L722-F821 HydrophobicContact CD2-CD1 3.27Å; L722-F821 HydrophobicContact CD2-CD2 4.49Å; L722-F821 HydrophobicContact CD2-CE1 3.6Å; L722-F821 HydrophobicContact CD2-CG 3.76Å; L722-F821 HydrophobicContact CD2-CZ 4.33Å; T770-F821 PolarHBondContact N-O 2.66Å; T770-F821 PolarHBondContact OG1-O 3.14Å; A771-F821 HydrophobicContact CB-CB 3.97Å; A771-F821 HydrophobicContact CB-CD2 4.24Å; A771-F821 HydrophobicContact CB-CG 4.21Å; A771-F821 PolarHBondContact N-O 2.88Å; A771-F821 PolarHBondContact O-N 2.99Å; I773-F821 HydrophobicContact CD1-CE2 3.76Å; I773-F821 HydrophobicContact CD1-CZ 4.12Å; I773-F821 HydrophobicContact CG1-CE2 4.04Å; L819-F821 HydrophobicContact CB-CE2 4.09Å
822	Y	95.7	Very high	84.8	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	138.6	175.2	-71.4	-90.6	0	0	0	110.8	L678 M720 F721 V723 L750 I768 L769 L820	L678-Y822 HydrophobicContact CD2-CE2 3.94Å; L678-Y822 VanDerWaalsContact CD2-OH 3.26Å; L678-Y822 WeakPolarHBondContact CD2-OH 3.5Å; M720-Y822 CarbonylContact C-O 3.47Å; M720-Y822 VanDerWaalsContact CA-O 3.29Å; M720-Y822 WeakPolarHBondContact CA-O 3.44Å; F721-Y822 HydrophobicContact CD1-CD2 4.2Å; F721-Y822 PolarHBondContact N-O 3.22Å; F721-Y822 WeakPolarHBondContact O-CB 3.4Å; F721-Y822 PolarHBondContact O-N 3.42Å; V723-Y822 HydrophobicContact CG2-CD2 4.39Å; V723-Y822 HydrophobicContact CG2-CE2 4.34Å; L750-Y822 HydrophobicContact CB-CD1 4.16Å; L750-Y822 HydrophobicContact CB-CE1 3.91Å; L750-Y822 HydrophobicContact CD2-CD1 4.14Å; L750-Y822 HydrophobicContact CD2-CD2 4.21Å; L750-Y822 HydrophobicContact CD2-CE1 3.93Å; L750-Y822 HydrophobicContact CD2-CE2 3.98Å; L750-Y822 HydrophobicContact CD2-CG 4.29Å; I768-Y822 CarbonylContact O-C 3.56Å; I768-Y822 WeakPolarHBondContact O-CA 3.42Å; L769-Y822 HydrophobicContact CB-CD1 4Å; L769-Y822 HydrophobicContact CB-CE1 3.65Å; L769-Y822 HydrophobicContact CD1-CD1 4.21Å; L769-Y822 HydrophobicContact CD1-CD2 4.17Å; L769-Y822 HydrophobicContact CD1-CE1 3.77Å; L769-Y822 HydrophobicContact CD1-CE2 3.75Å; L769-Y822 HydrophobicContact CD1-CG 4.38Å; L769-Y822 VanDerWaalsContact CD1-CZ 3.5Å; L769-Y822 HydrophobicContact CG-CE1 4.29Å; L820-Y822 HydrophobicContact CB-CD2 4.12Å; L820-Y822 HydrophobicContact CB-CE2 3.57Å; L820-Y822 HydrophobicContact CD1-CE2 4Å; L820-Y822 HydrophobicContact CG-CE2 4.43Å
823	L	94	Very high	81.6	Confident	4 Å²	4	60.4 Å²	60.4	2%	0.021	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	134.5	173.8	179.1	61.2	0	0	0	109.6	I511 V719 M720 Y767 I768 T770 E825 Y827 V828	I511-L823 HydrophobicContact CD1-CD1 3.91Å; V719-L823 HydrophobicContact CG1-CD1 3.69Å; M720-L823 HydrophobicContact CG-CD1 4.41Å; M720-L823 HydrophobicContact SD-CB 3.88Å; M720-L823 HydrophobicContact SD-CD1 3.49Å; M720-L823 WeakPolarHBondContact SD-CD1 3.48Å; M720-L823 HydrophobicContact SD-CG 4.23Å; Y767-L823 WeakPolarHBondContact CA-O 3.48Å; I768-L823 PolarHBondContact N-O 3.49Å; I768-L823 PolarHBondContact O-N 3.06Å; T770-L823 HydrophobicContact CG2-CB 3.54Å; T770-L823 HydrophobicContact CG2-CD2 4.29Å; L823-E825 PolarHBondContact O-N 2.74Å; L823-Y827 WeakPolarHBondContact CD2-O 3.4Å; L823-V828 HydrophobicContact CB-CG2 4.33Å; L823-V828 HydrophobicContact CD2-CG2 4.09Å; L823-V828 HydrophobicContact CG-CG2 4.1Å
824	A	92.6	Very high	80.9	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.1	130.7	173.5	0	0	0	0	0	110.3	V719 Y767 E826 Y827	V719-A824 PolarHBondContact O-N 3.05Å; Y767-A824 HydrophobicContact CD1-CB 4.29Å; Y767-A824 HydrophobicContact CE1-CB 3.81Å; A824-E826 HydrophobicContact CB-CG 4.32Å; A824-E826 PolarHBondContact O-N 3.37Å; A824-E826 VanDerWaalsContact O-N 3.08Å; A824-Y827 HydrophobicContact CB-CD2 3.89Å; A824-Y827 HydrophobicContact CB-CE2 4.41Å; A824-Y827 WeakPolarHBondContact O-CB 3.21Å; A824-Y827 PolarHBondContact O-N 3.11Å
825	E	89.7	Confident	80.2	Confident	70 Å²	70	63.8 Å²	63.8	33%	0.327	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-53.2	-36	-171.3	-178.2	-178.9	-148.5	0	0	113.2	R766 I768 L823 Y827 V828	R766-E825 HydrophobicContact CB-CB 4.47Å; R766-E825 IonicContact CZ-OE1 2.91Å; R766-E825 IonicContact CZ-OE2 2.68Å; R766-E825 IonicContact NE-OE1 3.84Å; R766-E825 IonicContact NE-OE2 3.53Å; R766-E825 PolarHBondContact NE-OE2 3.04Å; R766-E825 IonicContact NH2-OE1 3.91Å; R766-E825 PolarHBondContact NH2-OE1 2.95Å; R766-E825 IonicContact NH2-OE2 2.78Å; R766-E825 PolarHBondContact NH2-OE2 3.26Å; R766-E825 WeakPolarHBondContact O-CB 3.14Å; R766-E825 PolarHBondContact O-N 3.39Å; I768-E825 HydrophobicContact CD1-CB 4.4Å; I768-E825 HydrophobicContact CD1-CG 4.02Å; I768-E825 HydrophobicContact CG1-CB 4.36Å; I768-E825 HydrophobicContact CG1-CG 4.49Å; L823-E825 PolarHBondContact O-N 2.74Å; E825-Y827 PolarHBondContact O-N 2.96Å; E825-V828 PolarHBondContact O-N 3.41Å
826	E	86.8	Confident	79.5	Confident	98 Å²	98	60.1 Å²	60.1	46%	0.458	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-61.4	-13	177.1	66.2	-153.4	-158.1	0	0	114.3	R765 A824	R765-E826 IonicContact CZ-OE1 3.97Å; R765-E826 IonicContact NE-OE1 3.1Å; R765-E826 PolarHBondContact NE-OE1 3.47Å; R765-E826 IonicContact NH2-OE1 2.65Å; A824-E826 HydrophobicContact CB-CG 4.32Å; A824-E826 PolarHBondContact O-N 3.37Å; A824-E826 VanDerWaalsContact O-N 3.08Å
827	Y	86.6	Confident	78.6	Confident	85 Å²	85	62.1 Å²	62.1	33%	0.333	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-114.6	2.2	177.8	-62.7	-90	0	0	0	113.7	W510 I511 V719 L823 A824 E825	W510-Y827 VanDerWaalsContact CZ2-O 3.28Å; W510-Y827 WeakPolarHBondContact CZ2-O 3.49Å; W510-Y827 PolarHBondContact NE1-O 3.19Å; I511-Y827 HydrophobicContact CD1-CD1 4.11Å; I511-Y827 HydrophobicContact CD1-CG 4.35Å; V719-Y827 HydrophobicContact CB-CE2 4.41Å; V719-Y827 HydrophobicContact CG1-CD1 4.18Å; V719-Y827 HydrophobicContact CG1-CD2 3.68Å; V719-Y827 HydrophobicContact CG1-CE1 4.4Å; V719-Y827 HydrophobicContact CG1-CE2 3.93Å; V719-Y827 HydrophobicContact CG1-CG 3.82Å; V719-Y827 HydrophobicContact CG2-CD2 4.42Å; V719-Y827 HydrophobicContact CG2-CE1 4.46Å; V719-Y827 HydrophobicContact CG2-CE2 3.8Å; L823-Y827 WeakPolarHBondContact CD2-O 3.4Å; A824-Y827 HydrophobicContact CB-CD2 3.89Å; A824-Y827 HydrophobicContact CB-CE2 4.41Å; A824-Y827 WeakPolarHBondContact O-CB 3.21Å; A824-Y827 PolarHBondContact O-N 3.11Å; E825-Y827 PolarHBondContact O-N 2.96Å
828	V	78.9	Confident	77.4	Confident	31 Å²	31	65.9 Å²	65.9	19%	0.188	33%	0.333	C	S	.	.	S	Bend	trans	-72.1	-33.7	-173	170.1	0	0	0	0	112.7	I768 L823 E825	I768-V828 HydrophobicContact CB-CG2 3.85Å; I768-V828 HydrophobicContact CD1-CB 4.35Å; I768-V828 HydrophobicContact CD1-CG1 4.19Å; I768-V828 HydrophobicContact CD1-CG2 3.92Å; I768-V828 HydrophobicContact CG1-CG2 4.03Å; L823-V828 HydrophobicContact CB-CG2 4.33Å; L823-V828 HydrophobicContact CD2-CG2 4.09Å; L823-V828 HydrophobicContact CG-CG2 4.1Å; E825-V828 PolarHBondContact O-N 3.41Å
829	Q	67.8	Low	76.1	Confident	142 Å²	142	70.1 Å²	70.1	66%	0.664	36%	0.355	S	S	*	.	S	Bend	trans	-100.5	136.7	167	-63	-154.1	-3.1	0	0	109.4	K831	Q829-K831 PolarHBondContact O-N 2.76Å
830	P	53.3	Low	74.5	Confident	78 Å²	78	75 Å²	75	51%	0.506	38%	0.38	S	S	.	.			trans	-60.1	109	161.3	17.3	-13.7	0	0	0	105.5	W510 T832	W510-P830 HydrophobicContact CH2-CB 4.01Å; W510-P830 HydrophobicContact CZ2-CB 4.38Å; W510-P830 HydrophobicContact CZ3-CB 4.08Å; P830-T832 PolarHBondContact O-N 2.96Å
831	K	42.7	Very low	72.7	Confident	172 Å²	172	80.7 Å²	80.7	75%	0.748	41%	0.408	S	S	*	.			trans	-50	120	154.1	-71.1	-177.5	-179.5	177.2	0	103.4	Q829 L833	Q829-K831 PolarHBondContact O-N 2.76Å; K831-L833 PolarHBondContact O-N 2.85Å
832	T	29.6	Very low	70.7	Confident	147 Å²	147	87.3 Å²	87.3	90%	0.902	44%	0.442	S	S	*	.			trans	-47.5	103.2	164.1	27.8	0	0	0	0	105.7	P830	P830-T832 PolarHBondContact O-N 2.96Å
833	L	30.2	Very low	68.4	Low	221 Å²	221	95.3 Å²	95.3	100%	1.157	48%	0.482	S	S	*	.			trans	-70.8	0	178	-97.2	162.3	0	0	0	108.5	K831	K831-L833 PolarHBondContact O-N 2.85Å

Retrieved 833 of 833 residues in 1131.7 ms (Link to these results)

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