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E3 ubiquitin-protein ligase

E3 ubiquitin-protein ligase which accepts ubiquitin from an E2 ubiquitin-conjugating enzyme in the form of a thioester and then directly transfers the ubiquitin to targeted substrates.

AlphaFold DB , UniProt , Accession A0A087WRV6, Species MOUSE (Mus musculus, Mouse), Gene Trip12, Length 830 aa.

						>A0A087WRV6_MOUSE|A0A087WRV6|Trip12
IQHSGFVKQLLLYLTSKNEKDAVGREIRLKRFLHVFFSSPLPGEEPVGRVEPVGHAPLLALVHKMNNCLSQMEQFPVKVHDFPSGNGAGGRGSQALKFFNTHQLKCQLQRHPDCANVKQWKGGPVKIDPLALVQAIERYLVVRGYGRVREDDEDSDDDGSDEEIDESLAAQFLNSGNVRHRLQFYIGEHLLPYNMTVYQAVRQFSVQAEDERESTDDESNPLGRAGIWTKTHTIWYKPVREDEESTKDCVGGKRGRAQTAPTKTSPRNAKKHDELWHDGVCPSVANPLEVYLIPTPPENITFEDPSLDVILLLRVLHAISRYWYYLYDNAMCKEIIPTSEFINSKLTAKANRQLQDPLVIMTGNIPTWLTELGKTCPFFFPFDTRQMLFYVTAFDRDRAMQRLLDTNPEINQSDSQDSRVAPRLDRKKRTVNREELLKQAESVMQDLGSSRAMLEIQYENEVGTGLGPTLEFYALVSQELQRADLCLWRGEEVTLSNPKGSQEGTKYIQNLQGLFALPFGRTAKPAHIAKVKMKFRFLGKLMAKAIMDFRLVDLPLGLPFYKWMLRQETSLTSHDLFDIDPVVARSVYHLEDIVRQKKRLEQDKSQTKESLQYALETLTMNGCSVEDLGLDFTLPGFPNIELKKGGKDIPVTIHNLEEYLRLVIFWALNEGVCRQFDSFRDGFESVFPLCHLQYFYPEELDQLLCGSKADTWDAKTLMECCRPDHGYTHDSRAVKFLFEILSSFDNEQQRLFLQFVTGSPRLPVGGFRSLNPPLTIVRKTFESTENPDDFLPSVMTCVNYLKLPDYSSIDIMRDKLLIAAREGQQSFHLS
					

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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	I	64.5	Low	84.7	Confident	64 Å²	64	73.3 Å²	73.3	33%	0.328	38%	0.379	S	S	.	.				0	-56	0	-63.3	-163.2	0	0	0	111.1	H3 S4 F6 V7 K64 M65	I1-H3 PolarHBondContact O-N 3.38Å; I1-S4 VanDerWaalsContact C-OG 3.24Å; I1-S4 WeakPolarHBondContact CA-OG 3.49Å; I1-S4 PolarHBondContact N-OG 2.62Å; I1-S4 PolarHBondContact O-N 3.01Å; I1-S4 PolarHBondContact O-OG 3.24Å; I1-F6 HydrophobicContact CG2-CD1 4.23Å; I1-V7 HydrophobicContact CG2-CG2 3.86Å; I1-K64 HydrophobicContact CD1-CD 3.38Å; I1-K64 HydrophobicContact CD1-CG 3.89Å; I1-M65 HydrophobicContact CD1-CE 4.01Å; I1-M65 HydrophobicContact CG2-CE 3.81Å
2	Q	60.3	Low	85.6	Confident	77 Å²	77	73 Å²	73	36%	0.36	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-45.9	-176	-71.6	162.2	-21	0	0	113.3	M72	Q2-M72 HydrophobicContact CG-SD 3.85Å
3	H	72.9	Confident	86.3	Confident	185 Å²	185	73.7 Å²	73.7	86%	0.856	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94	-0.7	-179.8	-56.5	-65.3	0	0	0	114.8	I1 G5	I1-H3 PolarHBondContact O-N 3.38Å; H3-G5 VanDerWaalsContact C-N 3.33Å; H3-G5 PolarHBondContact O-N 3.31Å
4	S	83.3	Confident	87.1	Confident	81 Å²	81	68.4 Å²	68.4	57%	0.566	35%	0.347	S	S	*	.	S	Bend	trans	-86.2	-0.5	-173.8	49.4	0	0	0	0	114	I1 F6	I1-S4 VanDerWaalsContact C-OG 3.24Å; I1-S4 WeakPolarHBondContact CA-OG 3.49Å; I1-S4 PolarHBondContact N-OG 2.62Å; I1-S4 PolarHBondContact O-N 3.01Å; I1-S4 PolarHBondContact O-OG 3.24Å; S4-F6 PolarHBondContact O-N 3.13Å
5	G	86.8	Confident	87.7	Confident	40 Å²	40	63.9 Å²	63.9	41%	0.412	33%	0.325	S	S	.	.	S	Bend	trans	67.7	-4.9	-172	0	0	0	0	0	114.9	H3 V7 K8 Q9	H3-G5 VanDerWaalsContact C-N 3.33Å; H3-G5 PolarHBondContact O-N 3.31Å; G5-V7 PolarHBondContact O-N 3.12Å; G5-K8 PolarHBondContact O-N 3.01Å; G5-Q9 WeakPolarHBondContact O-CG 3.34Å; G5-Q9 PolarHBondContact O-N 2.79Å
6	F	92.6	Very high	88	Confident	78 Å²	78	61.4 Å²	61.4	34%	0.342	31%	0.314	S	S	.	.	H	α-helix	trans	-51.7	-47.6	-176.1	177.7	-98.4	0	0	0	113.8	I1 S4 K8 Q9 L10 L61	I1-F6 HydrophobicContact CG2-CD1 4.23Å; S4-F6 PolarHBondContact O-N 3.13Å; F6-K8 PolarHBondContact O-N 3.23Å; F6-Q9 PolarHBondContact O-N 3.33Å; F6-L10 HydrophobicContact CE1-CD2 3.84Å; F6-L10 HydrophobicContact CZ-CB 4.49Å; F6-L10 HydrophobicContact CZ-CD2 3.76Å; F6-L10 WeakPolarHBondContact O-CB 3.38Å; F6-L10 PolarHBondContact O-N 3.16Å; F6-L61 HydrophobicContact CE1-CD1 4.25Å
7	V	93.5	Very high	88.1	Confident	14 Å²	14	66 Å²	66	9%	0.085	33%	0.332	C	S	.	.	H	α-helix	trans	-58.7	-52.1	-177.3	177	0	0	0	0	110.6	I1 G5 Q9 L10 L11 M65 D308 V309 L312	I1-V7 HydrophobicContact CG2-CG2 3.86Å; G5-V7 PolarHBondContact O-N 3.12Å; V7-Q9 PolarHBondContact O-N 3.4Å; V7-L10 PolarHBondContact O-N 3.45Å; V7-L11 WeakPolarHBondContact O-CB 3.45Å; V7-L11 PolarHBondContact O-N 3.05Å; V7-M65 HydrophobicContact CG2-SD 4.05Å; V7-D308 HydrophobicContact CG1-CB 3.97Å; V7-D308 WeakPolarHBondContact CG1-O 3.2Å; V7-V309 HydrophobicContact CG1-CG2 4.11Å; V7-V309 HydrophobicContact CG2-CG2 4.41Å; V7-L312 HydrophobicContact CB-CD2 4.42Å; V7-L312 HydrophobicContact CG1-CB 4.18Å; V7-L312 HydrophobicContact CG1-CD2 3.85Å
8	K	92.4	Very high	87.9	Confident	116 Å²	116	67.1 Å²	67.1	50%	0.504	34%	0.339	S	S	.	.	H	α-helix	trans	-62.1	-43	179.2	-172.2	171.1	-175.3	169.4	0	112.1	G5 F6 L11 L12	G5-K8 PolarHBondContact O-N 3.01Å; F6-K8 PolarHBondContact O-N 3.23Å; K8-L11 PolarHBondContact O-N 3.22Å; K8-L12 HydrophobicContact CG-CD1 4.42Å; K8-L12 VanDerWaalsContact O-CG 3.3Å; K8-L12 WeakPolarHBondContact O-CG 3.5Å; K8-L12 PolarHBondContact O-N 3.09Å
9	Q	94.2	Very high	87.6	Confident	127 Å²	127	73.9 Å²	73.9	59%	0.593	37%	0.369	S	S	*	.	H	α-helix	trans	-67.6	-40.3	178.8	-67.9	-59.9	-29.6	0	0	112.5	G5 F6 V7 L12 Y13	G5-Q9 WeakPolarHBondContact O-CG 3.34Å; G5-Q9 PolarHBondContact O-N 2.79Å; F6-Q9 PolarHBondContact O-N 3.33Å; V7-Q9 PolarHBondContact O-N 3.4Å; Q9-L12 PolarHBondContact O-N 3.31Å; Q9-Y13 VanDerWaalsContact O-CB 3.32Å; Q9-Y13 WeakPolarHBondContact O-CB 3.22Å; Q9-Y13 PolarHBondContact O-N 3.02Å
10	L	95.8	Very high	87.4	Confident	20 Å²	20	79.4 Å²	79.4	11%	0.105	39%	0.391	C	S	.	.	H	α-helix	trans	-67.3	-41.3	175.5	-178	58.9	0	0	0	111.3	F6 V7 L12 Y13 L14 F32 L61 L312	F6-L10 HydrophobicContact CE1-CD2 3.84Å; F6-L10 HydrophobicContact CZ-CB 4.49Å; F6-L10 HydrophobicContact CZ-CD2 3.76Å; F6-L10 WeakPolarHBondContact O-CB 3.38Å; F6-L10 PolarHBondContact O-N 3.16Å; V7-L10 PolarHBondContact O-N 3.45Å; L10-L12 VanDerWaalsContact C-N 3.34Å; L10-L12 PolarHBondContact O-N 3.46Å; L10-Y13 HydrophobicContact CD1-CD1 4.46Å; L10-Y13 WeakPolarHBondContact O-CB 3.23Å; L10-Y13 PolarHBondContact O-N 3.24Å; L10-L14 HydrophobicContact CD1-CD1 4.03Å; L10-L14 HydrophobicContact CD1-CG 4.06Å; L10-L14 HydrophobicContact CG-CD1 4.02Å; L10-L14 HydrophobicContact CG-CG 4.45Å; L10-L14 VanDerWaalsContact O-CG 3.32Å; L10-L14 WeakPolarHBondContact O-CG 3.42Å; L10-L14 PolarHBondContact O-N 3.34Å; L10-F32 HydrophobicContact CD1-CD2 4.23Å; L10-F32 HydrophobicContact CD1-CE2 4.22Å; L10-F32 HydrophobicContact CD2-CE2 4.5Å; L10-L61 HydrophobicContact CD2-CD2 4.14Å; L10-L312 HydrophobicContact CD2-CD1 4.18Å; L10-L312 HydrophobicContact CD2-CD2 4.09Å; L10-L312 HydrophobicContact CG-CD1 4.04Å
11	L	95.8	Very high	87.4	Confident	4 Å²	4	77.8 Å²	77.8	2%	0.021	38%	0.384	C	S	.	.	H	α-helix	trans	-57.5	-47.9	174.2	178.6	61.6	0	0	0	111	V7 K8 Y13 L14 T15 L311 L312 V315	V7-L11 WeakPolarHBondContact O-CB 3.45Å; V7-L11 PolarHBondContact O-N 3.05Å; K8-L11 PolarHBondContact O-N 3.22Å; L11-Y13 PolarHBondContact O-N 3.35Å; L11-L14 PolarHBondContact O-N 3.48Å; L11-T15 HydrophobicContact CD1-CG2 3.89Å; L11-T15 WeakPolarHBondContact O-CB 3.38Å; L11-T15 WeakPolarHBondContact O-CG2 3.4Å; L11-T15 PolarHBondContact O-N 3.42Å; L11-T15 PolarHBondContact O-OG1 3.05Å; L11-L311 HydrophobicContact CD1-CB 4.21Å; L11-L311 HydrophobicContact CD2-CB 3.77Å; L11-L311 HydrophobicContact CD2-CD1 4.16Å; L11-L312 HydrophobicContact CB-CD1 4.47Å; L11-V315 HydrophobicContact CD1-CG2 3.87Å
12	L	94.6	Very high	88.5	Confident	70 Å²	70	79.9 Å²	79.9	37%	0.366	41%	0.411	S	S	.	.	H	α-helix	trans	-63.3	-41.8	176.4	-70.4	172.5	0	0	0	112.2	K8 Q9 L10 L14 T15 S16 P294	K8-L12 HydrophobicContact CG-CD1 4.42Å; K8-L12 VanDerWaalsContact O-CG 3.3Å; K8-L12 WeakPolarHBondContact O-CG 3.5Å; K8-L12 PolarHBondContact O-N 3.09Å; Q9-L12 PolarHBondContact O-N 3.31Å; L10-L12 VanDerWaalsContact C-N 3.34Å; L10-L12 PolarHBondContact O-N 3.46Å; L12-L14 VanDerWaalsContact C-N 3.29Å; L12-L14 PolarHBondContact O-N 2.75Å; L12-T15 PolarHBondContact O-N 3.3Å; L12-S16 WeakPolarHBondContact O-CB 3.31Å; L12-S16 PolarHBondContact O-N 3.39Å; L12-P294 HydrophobicContact CD2-CB 3.98Å
13	Y	95.7	Very high	90	Very high	82 Å²	82	78 Å²	78	32%	0.322	40%	0.404	S	S	.	.	H	α-helix	trans	-58.6	-40.6	177.3	-178.7	-91.3	0	0	0	112.1	Q9 L10 L11 R28	Q9-Y13 VanDerWaalsContact O-CB 3.32Å; Q9-Y13 WeakPolarHBondContact O-CB 3.22Å; Q9-Y13 PolarHBondContact O-N 3.02Å; L10-Y13 HydrophobicContact CD1-CD1 4.46Å; L10-Y13 WeakPolarHBondContact O-CB 3.23Å; L10-Y13 PolarHBondContact O-N 3.24Å; L11-Y13 PolarHBondContact O-N 3.35Å; Y13-R28 HydrophobicContact CD1-CB 4.25Å; Y13-R28 HydrophobicContact CD2-CG 4.43Å; Y13-R28 HydrophobicContact CE1-CB 3.67Å; Y13-R28 HydrophobicContact CE1-CG 4.22Å; Y13-R28 HydrophobicContact CE2-CB 4.23Å; Y13-R28 HydrophobicContact CE2-CG 3.85Å; Y13-R28 WeakPolarHBondContact O-CD 3.42Å; Y13-R28 PolarHBondContact O-NE 2.78Å
14	L	96.7	Very high	90.9	Very high	0 Å²	0	71.2 Å²	71.2	0%	0	39%	0.385	C	S	.	.	H	α-helix	trans	-80.5	-26.9	-178.7	-63.5	173.6	0	0	0	113.3	L10 L11 L12 R25 L29 F32 L312 V315 L316 I319	L10-L14 HydrophobicContact CD1-CD1 4.03Å; L10-L14 HydrophobicContact CD1-CG 4.06Å; L10-L14 HydrophobicContact CG-CD1 4.02Å; L10-L14 HydrophobicContact CG-CG 4.45Å; L10-L14 VanDerWaalsContact O-CG 3.32Å; L10-L14 WeakPolarHBondContact O-CG 3.42Å; L10-L14 PolarHBondContact O-N 3.34Å; L11-L14 PolarHBondContact O-N 3.48Å; L12-L14 VanDerWaalsContact C-N 3.29Å; L12-L14 PolarHBondContact O-N 2.75Å; L14-R25 WeakPolarHBondContact O-CD 3.2Å; L14-R25 WeakPolarHBondContact O-CG 3.26Å; L14-L29 HydrophobicContact CB-CD2 4.35Å; L14-L29 HydrophobicContact CD2-CD2 3.96Å; L14-F32 HydrophobicContact CD1-CE2 4.47Å; L14-F32 HydrophobicContact CD2-CB 3.78Å; L14-F32 HydrophobicContact CD2-CD1 4.1Å; L14-F32 HydrophobicContact CD2-CD2 3.86Å; L14-F32 HydrophobicContact CD2-CG 3.63Å; L14-L312 HydrophobicContact CD1-CD1 4.02Å; L14-V315 HydrophobicContact CB-CG1 3.98Å; L14-V315 HydrophobicContact CD1-CG1 4Å; L14-L316 HydrophobicContact CD1-CD2 4.23Å; L14-I319 HydrophobicContact CD1-CD1 4.18Å; L14-I319 HydrophobicContact CD2-CD1 4.24Å
15	T	96.1	Very high	91.4	Very high	1 Å²	1	68.6 Å²	68.6	1%	0.006	36%	0.362	C	S	.	.	H	α-helix	trans	-111.8	-27	-167.3	60.4	0	0	0	0	115.4	L11 L12 K17 R25 P294 V315	L11-T15 HydrophobicContact CD1-CG2 3.89Å; L11-T15 WeakPolarHBondContact O-CB 3.38Å; L11-T15 WeakPolarHBondContact O-CG2 3.4Å; L11-T15 PolarHBondContact O-N 3.42Å; L11-T15 PolarHBondContact O-OG1 3.05Å; L12-T15 PolarHBondContact O-N 3.3Å; T15-K17 PolarHBondContact O-N 2.91Å; T15-R25 VanDerWaalsContact O-CD 3.23Å; T15-R25 WeakPolarHBondContact O-CD 3.31Å; T15-R25 PolarHBondContact O-NH1 3.15Å; T15-R25 VanDerWaalsContact O-NH1 3.09Å; T15-P294 WeakPolarHBondContact OG1-CA 3.42Å; T15-P294 WeakPolarHBondContact OG1-CB 3.48Å; T15-V315 HydrophobicContact CG2-CG1 4.33Å; T15-V315 HydrophobicContact CG2-CG2 3.63Å
16	S	93.3	Very high	91.7	Very high	23 Å²	23	72 Å²	72	16%	0.161	37%	0.367	C	S	.	.			trans	-57.6	136	-173.5	173.9	0	0	0	0	112.6	L12 N18 D21 R25 R28	L12-S16 WeakPolarHBondContact O-CB 3.31Å; L12-S16 PolarHBondContact O-N 3.39Å; S16-N18 PolarHBondContact OG-N 3.24Å; S16-D21 VanDerWaalsContact CB-OD2 3.24Å; S16-D21 WeakPolarHBondContact CB-OD2 3.43Å; S16-D21 PolarHBondContact OG-OD2 3.35Å; S16-R25 WeakPolarHBondContact O-CB 3.33Å; S16-R25 WeakPolarHBondContact O-CD 3.34Å; S16-R28 PolarHBondContact O-NH2 2.88Å
17	K	88.7	Confident	91.8	Very high	140 Å²	140	71.6 Å²	71.6	61%	0.609	37%	0.368	S	S	*	.			trans	-112	17.5	171.8	-71.8	-167	176	-174.9	0	112.3	T15 E19 E289	T15-K17 PolarHBondContact O-N 2.91Å; K17-E19 PolarHBondContact O-N 3.47Å; K17-E289 VanDerWaalsContact CE-OE2 3.32Å; K17-E289 WeakPolarHBondContact CE-OE2 3.27Å; K17-E289 IonicContact NZ-OE2 3.41Å; K17-E289 PolarHBondContact NZ-OE2 2.83Å
18	N	85.6	Confident	91.9	Very high	86 Å²	86	71.9 Å²	71.9	46%	0.46	37%	0.368	S	S	.	.			trans	-65.4	125.9	-176.6	-170.4	-12.1	0	0	0	110.3	S16 K20 D21	S16-N18 PolarHBondContact OG-N 3.24Å; N18-K20 PolarHBondContact O-N 2.89Å; N18-K20 VanDerWaalsContact O-N 3.13Å; N18-K20 WeakPolarHBondContact OD1-CB 3.28Å; N18-K20 PolarHBondContact OD1-N 2.98Å; N18-D21 VanDerWaalsContact O-CB 3.22Å; N18-D21 WeakPolarHBondContact O-CB 3.32Å; N18-D21 PolarHBondContact O-N 3.48Å
19	E	80.9	Confident	92	Very high	197 Å²	197	66.5 Å²	66.5	92%	0.921	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-20.9	176.4	-64.5	-177.5	171	0	0	112.6	K17 D21	K17-E19 PolarHBondContact O-N 3.47Å; E19-D21 VanDerWaalsContact C-N 3.27Å
20	K	84.2	Confident	92	Very high	183 Å²	183	62.3 Å²	62.3	80%	0.796	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-7.8	174.3	-59.6	-177.5	180	179.8	0	113.6	N18 A22	N18-K20 PolarHBondContact O-N 2.89Å; N18-K20 VanDerWaalsContact O-N 3.13Å; N18-K20 WeakPolarHBondContact OD1-CB 3.28Å; N18-K20 PolarHBondContact OD1-N 2.98Å; K20-A22 PolarHBondContact O-N 3.33Å
21	D	87.6	Confident	92	Very high	45 Å²	45	66.8 Å²	66.8	24%	0.241	34%	0.34	C	S	.	.	S	Bend	trans	-64.9	129.2	177	-72.2	-15.2	0	0	0	109.4	S16 N18 E19 V23 R28	S16-D21 VanDerWaalsContact CB-OD2 3.24Å; S16-D21 WeakPolarHBondContact CB-OD2 3.43Å; S16-D21 PolarHBondContact OG-OD2 3.35Å; N18-D21 VanDerWaalsContact O-CB 3.22Å; N18-D21 WeakPolarHBondContact O-CB 3.32Å; N18-D21 PolarHBondContact O-N 3.48Å; E19-D21 VanDerWaalsContact C-N 3.27Å; D21-V23 PolarHBondContact O-N 2.9Å; D21-R28 IonicContact OD1-NH1 3.6Å; D21-R28 IonicContact OD2-CZ 3.59Å; D21-R28 VanDerWaalsContact OD2-CZ 3.23Å; D21-R28 IonicContact OD2-NH1 2.65Å; D21-R28 PolarHBondContact OD2-NH1 3.22Å; D21-R28 IonicContact OD2-NH2 3.56Å; D21-R28 PolarHBondContact OD2-NH2 2.75Å
22	A	86.9	Confident	92	Very high	109 Å²	109	67 Å²	67	90%	0.901	34%	0.341	S	S	*	.	S	Bend	trans	-58.9	-20.8	-178.5	0	0	0	0	0	113.6	K20	K20-A22 PolarHBondContact O-N 3.33Å
23	V	91.8	Very high	92	Very high	37 Å²	37	63.7 Å²	63.7	22%	0.224	32%	0.323	C	S	.	.	S	Bend	trans	-139.2	130.1	-179.2	-179.1	0	0	0	0	108.7	D21 I27 R28	D21-V23 PolarHBondContact O-N 2.9Å; V23-I27 HydrophobicContact CG1-CB 3.55Å; V23-I27 HydrophobicContact CG1-CD1 4.33Å; V23-I27 HydrophobicContact CG1-CG2 3.35Å; V23-R28 HydrophobicContact CB-CG 4.17Å; V23-R28 HydrophobicContact CG1-CG 3.95Å
24	G	92.9	Very high	91.9	Very high	43 Å²	43	63.2 Å²	63.2	44%	0.443	32%	0.324	S	S	.	.			trans	-59	149.8	177.5	0	0	0	0	0	112.8	E26 I27 R28	G24-E26 VanDerWaalsContact C-N 3.32Å; G24-E26 PolarHBondContact O-N 2.86Å; G24-I27 PolarHBondContact O-N 3.1Å; G24-I27 VanDerWaalsContact O-N 3.15Å; G24-R28 PolarHBondContact O-N 2.64Å; G24-R28 VanDerWaalsContact O-N 3.13Å
25	R	94.6	Very high	91.7	Very high	26 Å²	26	67.7 Å²	67.7	10%	0.098	35%	0.351	C	S	.	.	H	α-helix	trans	-56.8	-41.8	-174.6	-169.7	174.7	66.4	173.1	11.1	113.5	L14 T15 S16 I27 R28 L29 E289 L292	L14-R25 WeakPolarHBondContact O-CD 3.2Å; L14-R25 WeakPolarHBondContact O-CG 3.26Å; T15-R25 VanDerWaalsContact O-CD 3.23Å; T15-R25 WeakPolarHBondContact O-CD 3.31Å; T15-R25 PolarHBondContact O-NH1 3.15Å; T15-R25 VanDerWaalsContact O-NH1 3.09Å; S16-R25 WeakPolarHBondContact O-CB 3.33Å; S16-R25 WeakPolarHBondContact O-CD 3.34Å; R25-I27 VanDerWaalsContact C-N 3.33Å; R25-I27 PolarHBondContact O-N 3.16Å; R25-R28 WeakPolarHBondContact O-CB 3.46Å; R25-R28 PolarHBondContact O-N 3.26Å; R25-R28 VanDerWaalsContact O-N 3.14Å; R25-L29 HydrophobicContact CG-CD1 4.26Å; R25-L29 HydrophobicContact CG-CG 4.43Å; R25-L29 WeakPolarHBondContact O-CG 3.49Å; R25-L29 PolarHBondContact O-N 3.45Å; R25-E289 IonicContact CZ-OE1 3.21Å; R25-E289 IonicContact CZ-OE2 3.95Å; R25-E289 IonicContact NH2-OE1 3.63Å; R25-E289 PolarHBondContact NH2-OE1 3.19Å; R25-E289 IonicContact NH2-OE2 2.69Å; R25-E289 PolarHBondContact NH2-OE2 3.48Å; R25-L292 VanDerWaalsContact NH1-CB 3.33Å; R25-L292 PolarHBondContact NH1-O 3.31Å
26	E	92.5	Very high	91.5	Very high	110 Å²	110	69.9 Å²	69.9	51%	0.514	36%	0.36	S	S	.	.	H	α-helix	trans	-58.9	-44.2	178.8	-167.7	-167.6	146.8	0	0	112	G24 R28 L29 K30 L326	G24-E26 VanDerWaalsContact C-N 3.32Å; G24-E26 PolarHBondContact O-N 2.86Å; E26-R28 VanDerWaalsContact C-N 3.33Å; E26-R28 PolarHBondContact O-N 2.94Å; E26-L29 PolarHBondContact O-N 3.34Å; E26-K30 WeakPolarHBondContact O-CG 3.28Å; E26-K30 PolarHBondContact O-N 3.03Å; E26-K30 WeakPolarHBondContact OE1-CE 3.44Å; E26-K30 IonicContact OE1-NZ 3.43Å; E26-K30 PolarHBondContact OE1-NZ 2.96Å; E26-L326 HydrophobicContact CG-CD2 4.43Å
27	I	93.8	Very high	91.4	Very high	71 Å²	71	69 Å²	69	36%	0.364	35%	0.354	S	S	.	.	H	α-helix	trans	-63.5	-40.8	176.5	-62.6	172.5	0	0	0	110.3	V23 G24 R25 K30 R31 P42	V23-I27 HydrophobicContact CG1-CB 3.55Å; V23-I27 HydrophobicContact CG1-CD1 4.33Å; V23-I27 HydrophobicContact CG1-CG2 3.35Å; G24-I27 PolarHBondContact O-N 3.1Å; G24-I27 VanDerWaalsContact O-N 3.15Å; R25-I27 VanDerWaalsContact C-N 3.33Å; R25-I27 PolarHBondContact O-N 3.16Å; I27-K30 PolarHBondContact O-N 3.24Å; I27-R31 HydrophobicContact CG2-CG 4.49Å; I27-R31 WeakPolarHBondContact O-CG 3.47Å; I27-R31 PolarHBondContact O-N 3.39Å; I27-P42 HydrophobicContact CG2-CB 3.87Å; I27-P42 HydrophobicContact CG2-CG 3.91Å
28	R	95.6	Very high	91.3	Very high	20 Å²	20	66.7 Å²	66.7	8%	0.075	36%	0.355	C	S	.	.	H	α-helix	trans	-62.4	-41.5	175.7	-68.4	-166.6	-63	-151.4	-8.6	112.4	Y13 S16 D21 V23 G24 R25 E26 R31 F32	Y13-R28 HydrophobicContact CD1-CB 4.25Å; Y13-R28 HydrophobicContact CD2-CG 4.43Å; Y13-R28 HydrophobicContact CE1-CB 3.67Å; Y13-R28 HydrophobicContact CE1-CG 4.22Å; Y13-R28 HydrophobicContact CE2-CB 4.23Å; Y13-R28 HydrophobicContact CE2-CG 3.85Å; Y13-R28 WeakPolarHBondContact O-CD 3.42Å; Y13-R28 PolarHBondContact O-NE 2.78Å; S16-R28 PolarHBondContact O-NH2 2.88Å; D21-R28 IonicContact OD1-NH1 3.6Å; D21-R28 IonicContact OD2-CZ 3.59Å; D21-R28 VanDerWaalsContact OD2-CZ 3.23Å; D21-R28 IonicContact OD2-NH1 2.65Å; D21-R28 PolarHBondContact OD2-NH1 3.22Å; D21-R28 IonicContact OD2-NH2 3.56Å; D21-R28 PolarHBondContact OD2-NH2 2.75Å; V23-R28 HydrophobicContact CB-CG 4.17Å; V23-R28 HydrophobicContact CG1-CG 3.95Å; G24-R28 PolarHBondContact O-N 2.64Å; G24-R28 VanDerWaalsContact O-N 3.13Å; R25-R28 WeakPolarHBondContact O-CB 3.46Å; R25-R28 PolarHBondContact O-N 3.26Å; R25-R28 VanDerWaalsContact O-N 3.14Å; E26-R28 VanDerWaalsContact C-N 3.33Å; E26-R28 PolarHBondContact O-N 2.94Å; R28-R31 PolarHBondContact O-N 3.23Å; R28-F32 WeakPolarHBondContact O-CB 3.35Å; R28-F32 PolarHBondContact O-N 3.07Å
29	L	95.7	Very high	91.5	Very high	3 Å²	3	62.7 Å²	62.7	2%	0.016	33%	0.334	C	S	.	.	H	α-helix	trans	-63.8	-45.5	175.3	-68	169	0	0	0	111.6	L14 R25 E26 R31 F32 L33 L288 L292 I319 L326	L14-L29 HydrophobicContact CB-CD2 4.35Å; L14-L29 HydrophobicContact CD2-CD2 3.96Å; R25-L29 HydrophobicContact CG-CD1 4.26Å; R25-L29 HydrophobicContact CG-CG 4.43Å; R25-L29 WeakPolarHBondContact O-CG 3.49Å; R25-L29 PolarHBondContact O-N 3.45Å; E26-L29 PolarHBondContact O-N 3.34Å; L29-R31 VanDerWaalsContact C-N 3.34Å; L29-R31 PolarHBondContact O-N 3.23Å; L29-F32 WeakPolarHBondContact O-CB 3.28Å; L29-F32 PolarHBondContact O-N 3.15Å; L29-L33 PolarHBondContact O-N 2.62Å; L29-L288 HydrophobicContact CD1-CD2 4.45Å; L29-L292 HydrophobicContact CD1-CD1 3.63Å; L29-L292 HydrophobicContact CD1-CD2 4.42Å; L29-L292 HydrophobicContact CD2-CD2 4.08Å; L29-I319 HydrophobicContact CD2-CD1 3.73Å; L29-I319 HydrophobicContact CD2-CG1 4.29Å; L29-L326 HydrophobicContact CB-CD1 3.97Å; L29-L326 HydrophobicContact CD1-CD1 4.46Å; L29-L326 HydrophobicContact CD1-CD2 4.12Å
30	K	94.2	Very high	91.8	Very high	38 Å²	38	54.4 Å²	54.4	17%	0.165	30%	0.297	C	S	.	.	H	α-helix	trans	-61.4	-39.8	175.2	-73.6	177.4	169.8	166.4	0	112.1	E26 I27 L33 H34 P42 L326 Y327	E26-K30 WeakPolarHBondContact O-CG 3.28Å; E26-K30 PolarHBondContact O-N 3.03Å; E26-K30 WeakPolarHBondContact OE1-CE 3.44Å; E26-K30 IonicContact OE1-NZ 3.43Å; E26-K30 PolarHBondContact OE1-NZ 2.96Å; I27-K30 PolarHBondContact O-N 3.24Å; K30-L33 PolarHBondContact O-N 3.08Å; K30-H34 WeakPolarHBondContact O-CB 3.45Å; K30-H34 PolarHBondContact O-N 2.9Å; K30-P42 HydrophobicContact CB-CB 4.18Å; K30-P42 HydrophobicContact CB-CG 3.84Å; K30-L326 WeakPolarHBondContact CE-O 3.13Å; K30-L326 PolarHBondContact NZ-O 2.82Å; K30-L326 VanDerWaalsContact NZ-O 3.11Å; K30-Y327 HydrophobicContact CD-CE1 4.48Å; K30-Y327 HydrophobicContact CG-CE1 4.35Å; K30-Y327 HydrophobicContact CG-CE2 4.45Å
31	R	95.5	Very high	92	Very high	115 Å²	115	48.9 Å²	48.9	43%	0.434	28%	0.276	S	S	.	.	H	α-helix	trans	-63.7	-42.8	172.7	-74.1	178.8	179.3	177.7	0.9	112.3	I27 R28 L29 H34 V35 P42	I27-R31 HydrophobicContact CG2-CG 4.49Å; I27-R31 WeakPolarHBondContact O-CG 3.47Å; I27-R31 PolarHBondContact O-N 3.39Å; R28-R31 PolarHBondContact O-N 3.23Å; L29-R31 VanDerWaalsContact C-N 3.34Å; L29-R31 PolarHBondContact O-N 3.23Å; R31-H34 PolarHBondContact O-N 3.18Å; R31-V35 WeakPolarHBondContact O-CG2 3.31Å; R31-V35 PolarHBondContact O-N 3.09Å; R31-V35 VanDerWaalsContact O-N 3.15Å; R31-P42 HydrophobicContact CG-CG 3.59Å
32	F	96	Very high	92	Very high	8 Å²	8	48.5 Å²	48.5	4%	0.035	28%	0.276	C	S	.	.	H	α-helix	trans	-60.7	-48.9	176.4	174.8	-94.5	0	0	0	111	L10 L14 R28 L29 H34 V35 F36 L58 L61 L316	L10-F32 HydrophobicContact CD1-CD2 4.23Å; L10-F32 HydrophobicContact CD1-CE2 4.22Å; L10-F32 HydrophobicContact CD2-CE2 4.5Å; L14-F32 HydrophobicContact CD1-CE2 4.47Å; L14-F32 HydrophobicContact CD2-CB 3.78Å; L14-F32 HydrophobicContact CD2-CD1 4.1Å; L14-F32 HydrophobicContact CD2-CD2 3.86Å; L14-F32 HydrophobicContact CD2-CG 3.63Å; R28-F32 WeakPolarHBondContact O-CB 3.35Å; R28-F32 PolarHBondContact O-N 3.07Å; L29-F32 WeakPolarHBondContact O-CB 3.28Å; L29-F32 PolarHBondContact O-N 3.15Å; F32-H34 VanDerWaalsContact C-N 3.31Å; F32-H34 PolarHBondContact O-N 2.57Å; F32-V35 PolarHBondContact O-N 2.95Å; F32-F36 AromaticContact CD2-CD2 3.53Å; F32-F36 HydrophobicContact CD2-CD2 3.53Å; F32-F36 AromaticContact CD2-CE2 3.8Å; F32-F36 HydrophobicContact CD2-CE2 3.8Å; F32-F36 HydrophobicContact CD2-CG 4.4Å; F32-F36 HydrophobicContact CE1-CB 4.31Å; F32-F36 HydrophobicContact CE1-CD2 4.49Å; F32-F36 AromaticContact CE2-CD2 3.35Å; F32-F36 HydrophobicContact CE2-CD2 3.35Å; F32-F36 AromaticContact CE2-CE2 3.56Å; F32-F36 HydrophobicContact CE2-CE2 3.56Å; F32-F36 AromaticContact CE2-CG 3.88Å; F32-F36 HydrophobicContact CE2-CG 3.88Å; F32-F36 HydrophobicContact CE2-CZ 4.25Å; F32-F36 HydrophobicContact CG-CD2 4.19Å; F32-F36 HydrophobicContact CZ-CB 4.19Å; F32-F36 AromaticContact CZ-CD2 3.87Å; F32-F36 HydrophobicContact CZ-CD2 3.87Å; F32-F36 HydrophobicContact CZ-CE2 4.42Å; F32-F36 AromaticContact CZ-CG 3.94Å; F32-F36 HydrophobicContact CZ-CG 3.94Å; F32-F36 WeakPolarHBondContact O-CB 3.38Å; F32-F36 WeakPolarHBondContact O-CD2 3.45Å; F32-F36 PolarHBondContact O-N 2.91Å; F32-L58 HydrophobicContact CE1-CD1 3.86Å; F32-L58 HydrophobicContact CZ-CD1 3.77Å; F32-L61 HydrophobicContact CE2-CD2 4.1Å; F32-L61 HydrophobicContact CZ-CD2 4Å; F32-L316 HydrophobicContact CE1-CD2 3.98Å; F32-L316 HydrophobicContact CE2-CD2 4.35Å; F32-L316 HydrophobicContact CZ-CD2 3.48Å; F32-L316 VanDerWaalsContact CZ-CD2 3.48Å
33	L	94.3	Very high	91.7	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-64.1	-35.5	177.2	-72.2	174.6	0	0	0	112.4	L29 K30 V35 F36 F37 S38 S39 I319 W323 L326 Y327 I335	L29-L33 PolarHBondContact O-N 2.62Å; K30-L33 PolarHBondContact O-N 3.08Å; L33-V35 VanDerWaalsContact C-N 3.29Å; L33-V35 PolarHBondContact O-N 2.96Å; L33-F36 PolarHBondContact O-N 3.28Å; L33-F37 HydrophobicContact CD2-CB 4.14Å; L33-F37 HydrophobicContact CD2-CD1 4.22Å; L33-F37 CarbonylContact O-C 3.56Å; L33-F37 WeakPolarHBondContact O-CA 3.26Å; L33-F37 WeakPolarHBondContact O-CB 3.16Å; L33-F37 PolarHBondContact O-N 3.05Å; L33-S38 PolarHBondContact O-N 3.19Å; L33-S39 WeakPolarHBondContact CB-OG 3.34Å; L33-S39 PolarHBondContact O-N 3.09Å; L33-S39 PolarHBondContact O-OG 3.28Å; L33-I319 HydrophobicContact CD1-CG2 4.45Å; L33-I319 HydrophobicContact CD2-CG2 3.63Å; L33-I319 HydrophobicContact CG-CG2 4.23Å; L33-W323 HydrophobicContact CD1-CB 3.94Å; L33-L326 HydrophobicContact CD1-CD1 3.65Å; L33-Y327 HydrophobicContact CD1-CE2 3.95Å; L33-I335 HydrophobicContact CD2-CD1 3.59Å
34	H	92.3	Very high	91.2	Very high	73 Å²	73	50.9 Å²	50.9	34%	0.338	29%	0.289	S	S	.	.	H	α-helix	trans	-59.4	-43.9	174.9	176.7	70.2	0	0	0	111.3	K30 R31 F32 S38 S39 L41	K30-H34 WeakPolarHBondContact O-CB 3.45Å; K30-H34 PolarHBondContact O-N 2.9Å; R31-H34 PolarHBondContact O-N 3.18Å; F32-H34 VanDerWaalsContact C-N 3.31Å; F32-H34 PolarHBondContact O-N 2.57Å; H34-S38 VanDerWaalsContact O-CA 3.23Å; H34-S38 WeakPolarHBondContact O-CA 3.48Å; H34-S38 PolarHBondContact O-N 3.27Å; H34-S38 VanDerWaalsContact O-N 3.12Å; H34-S39 WeakPolarHBondContact CA-O 3.43Å; H34-S39 WeakPolarHBondContact CA-OG 3.31Å; H34-S39 PolarHBondContact N-OG 3.4Å; H34-S39 PolarHBondContact ND1-O 2.96Å; H34-L41 HydrophobicContact CB-CD2 4.37Å; H34-L41 VanDerWaalsContact CD2-CD2 3.41Å; H34-L41 WeakPolarHBondContact CD2-CD2 3.3Å
35	V	92.6	Very high	90.1	Very high	94 Å²	94	53.4 Å²	53.4	57%	0.57	29%	0.289	S	S	*	.	H	α-helix	trans	-73.8	-43.9	-179.7	174.9	0	0	0	0	112.4	R31 F32 L33	R31-V35 WeakPolarHBondContact O-CG2 3.31Å; R31-V35 PolarHBondContact O-N 3.09Å; R31-V35 VanDerWaalsContact O-N 3.15Å; F32-V35 PolarHBondContact O-N 2.95Å; L33-V35 VanDerWaalsContact C-N 3.29Å; L33-V35 PolarHBondContact O-N 2.96Å
36	F	93.3	Very high	88.8	Confident	47 Å²	47	53.6 Å²	53.6	21%	0.206	29%	0.294	C	S	.	.	H	α-helix	trans	-95.9	-13.3	-169.5	-76.9	-88.7	0	0	0	114.5	F32 L33 P57 L58 L61	F32-F36 AromaticContact CD2-CD2 3.53Å; F32-F36 HydrophobicContact CD2-CD2 3.53Å; F32-F36 AromaticContact CD2-CE2 3.8Å; F32-F36 HydrophobicContact CD2-CE2 3.8Å; F32-F36 HydrophobicContact CD2-CG 4.4Å; F32-F36 HydrophobicContact CE1-CB 4.31Å; F32-F36 HydrophobicContact CE1-CD2 4.49Å; F32-F36 AromaticContact CE2-CD2 3.35Å; F32-F36 HydrophobicContact CE2-CD2 3.35Å; F32-F36 AromaticContact CE2-CE2 3.56Å; F32-F36 HydrophobicContact CE2-CE2 3.56Å; F32-F36 AromaticContact CE2-CG 3.88Å; F32-F36 HydrophobicContact CE2-CG 3.88Å; F32-F36 HydrophobicContact CE2-CZ 4.25Å; F32-F36 HydrophobicContact CG-CD2 4.19Å; F32-F36 HydrophobicContact CZ-CB 4.19Å; F32-F36 AromaticContact CZ-CD2 3.87Å; F32-F36 HydrophobicContact CZ-CD2 3.87Å; F32-F36 HydrophobicContact CZ-CE2 4.42Å; F32-F36 AromaticContact CZ-CG 3.94Å; F32-F36 HydrophobicContact CZ-CG 3.94Å; F32-F36 WeakPolarHBondContact O-CB 3.38Å; F32-F36 WeakPolarHBondContact O-CD2 3.45Å; F32-F36 PolarHBondContact O-N 2.91Å; L33-F36 PolarHBondContact O-N 3.28Å; F36-P57 HydrophobicContact CD1-CB 4.02Å; F36-L58 HydrophobicContact CB-CB 4.12Å; F36-L58 HydrophobicContact CB-CD1 4.33Å; F36-L58 WeakPolarHBondContact O-CB 3.42Å; F36-L58 PolarHBondContact O-N 2.8Å; F36-L61 HydrophobicContact CD1-CB 4.42Å; F36-L61 HydrophobicContact CD1-CD2 4.2Å; F36-L61 HydrophobicContact CE1-CB 4.14Å; F36-L61 HydrophobicContact CE1-CD2 3.85Å; F36-L61 HydrophobicContact CZ-CD2 4.24Å
37	F	89.6	Confident	87.6	Confident	4 Å²	4	55.8 Å²	55.8	2%	0.018	31%	0.314	C	S	.	.	H	α-helix	trans	-137.8	-4.1	-173.6	175.2	-121.5	0	0	0	113.9	L33 S39 P52 G54 H55 W323 I335	L33-F37 HydrophobicContact CD2-CB 4.14Å; L33-F37 HydrophobicContact CD2-CD1 4.22Å; L33-F37 CarbonylContact O-C 3.56Å; L33-F37 WeakPolarHBondContact O-CA 3.26Å; L33-F37 WeakPolarHBondContact O-CB 3.16Å; L33-F37 PolarHBondContact O-N 3.05Å; F37-S39 VanDerWaalsContact C-N 3.26Å; F37-S39 PolarHBondContact O-N 3.47Å; F37-P52 HydrophobicContact CE2-CB 3.45Å; F37-P52 VanDerWaalsContact CE2-CB 3.45Å; F37-P52 HydrophobicContact CZ-CB 3.48Å; F37-P52 VanDerWaalsContact CZ-CB 3.48Å; F37-G54 CarbonylContact C-O 3.53Å; F37-G54 VanDerWaalsContact CA-O 3.22Å; F37-G54 WeakPolarHBondContact CA-O 3.44Å; F37-H55 HydrophobicContact CD2-CB 4.45Å; F37-W323 AromaticContact CE1-CD2 3.95Å; F37-W323 HydrophobicContact CE1-CD2 3.95Å; F37-W323 AromaticContact CE1-CE3 3.82Å; F37-W323 HydrophobicContact CE1-CE3 3.82Å; F37-W323 AromaticContact CE1-CH2 3.88Å; F37-W323 HydrophobicContact CE1-CH2 3.88Å; F37-W323 HydrophobicContact CE1-CZ2 4.02Å; F37-W323 AromaticContact CE1-CZ3 3.79Å; F37-W323 HydrophobicContact CE1-CZ3 3.79Å; F37-W323 HydrophobicContact CZ-CD2 4.46Å; F37-W323 HydrophobicContact CZ-CH2 4.21Å; F37-W323 AromaticContact CZ-CZ2 3.99Å; F37-W323 HydrophobicContact CZ-CZ2 3.99Å; F37-I335 HydrophobicContact CB-CD1 4.38Å; F37-I335 HydrophobicContact CD1-CD1 3.75Å; F37-I335 HydrophobicContact CD1-CG1 4.34Å; F37-I335 HydrophobicContact CD2-CB 4.29Å; F37-I335 HydrophobicContact CD2-CD1 4.09Å; F37-I335 HydrophobicContact CD2-CG1 4.14Å; F37-I335 HydrophobicContact CD2-CG2 3.26Å; F37-I335 HydrophobicContact CE1-CD1 3.9Å; F37-I335 HydrophobicContact CE1-CG1 4.07Å; F37-I335 HydrophobicContact CE2-CB 4.09Å; F37-I335 HydrophobicContact CE2-CD1 4.21Å; F37-I335 HydrophobicContact CE2-CG1 3.83Å; F37-I335 HydrophobicContact CE2-CG2 3.4Å; F37-I335 HydrophobicContact CG-CD1 3.82Å; F37-I335 HydrophobicContact CG-CG1 4.34Å; F37-I335 HydrophobicContact CG-CG2 3.99Å; F37-I335 HydrophobicContact CZ-CB 4.49Å; F37-I335 HydrophobicContact CZ-CD1 4.08Å; F37-I335 HydrophobicContact CZ-CG1 3.75Å; F37-I335 HydrophobicContact CZ-CG2 4.23Å
38	S	88.2	Confident	86.6	Confident	91 Å²	91	54.2 Å²	54.2	64%	0.636	32%	0.315	S	S	*	.			trans	60.6	31.2	-178.1	-54.1	0	0	0	0	114.1	L33 H34	L33-S38 PolarHBondContact O-N 3.19Å; H34-S38 VanDerWaalsContact O-CA 3.23Å; H34-S38 WeakPolarHBondContact O-CA 3.48Å; H34-S38 PolarHBondContact O-N 3.27Å; H34-S38 VanDerWaalsContact O-N 3.12Å
39	S	88.6	Confident	86	Confident	3 Å²	3	59.1 Å²	59.1	2%	0.021	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-70.4	164.3	171.5	65.3	0	0	0	0	112.2	L33 H34 F37 Y327	L33-S39 WeakPolarHBondContact CB-OG 3.34Å; L33-S39 PolarHBondContact O-N 3.09Å; L33-S39 PolarHBondContact O-OG 3.28Å; H34-S39 WeakPolarHBondContact CA-O 3.43Å; H34-S39 WeakPolarHBondContact CA-OG 3.31Å; H34-S39 PolarHBondContact N-OG 3.4Å; H34-S39 PolarHBondContact ND1-O 2.96Å; F37-S39 VanDerWaalsContact C-N 3.26Å; F37-S39 PolarHBondContact O-N 3.47Å; S39-Y327 WeakPolarHBondContact CB-OH 3.42Å; S39-Y327 PolarHBondContact OG-OH 2.83Å
40	P	88.4	Confident	85.5	Confident	23 Å²	23	59.6 Å²	59.6	15%	0.149	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-56.5	148.7	175.2	-24	33	0	0	0	112.9	E44 P46 V50 Y327	P40-E44 HydrophobicContact CB-CB 4.44Å; P40-P46 HydrophobicContact CG-CB 3.79Å; P40-P46 HydrophobicContact CG-CG 4.19Å; P40-V50 HydrophobicContact CG-CG2 4.24Å; P40-Y327 HydrophobicContact CB-CE1 4.34Å; P40-Y327 HydrophobicContact CG-CE1 4.37Å; P40-Y327 PolarHBondContact O-OH 3.26Å; P40-Y327 VanDerWaalsContact O-OH 3.13Å
41	L	87.8	Confident	85	Confident	66 Å²	66	62.9 Å²	62.9	35%	0.346	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-64.1	152.7	175.9	-76.6	167.1	0	0	0	110.9	H34 G43 E44	H34-L41 HydrophobicContact CB-CD2 4.37Å; H34-L41 VanDerWaalsContact CD2-CD2 3.41Å; H34-L41 WeakPolarHBondContact CD2-CD2 3.3Å; L41-G43 PolarHBondContact O-N 3.02Å; L41-G43 VanDerWaalsContact O-N 3.17Å; L41-E44 HydrophobicContact CB-CB 4.45Å; L41-E44 HydrophobicContact CB-CG 4.03Å; L41-E44 PolarHBondContact O-N 3.06Å
42	P	87.4	Confident	84.1	Confident	37 Å²	37	58.6 Å²	58.6	24%	0.24	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	124.2	172.7	-12.8	21.4	0	0	0	110.9	I27 K30 R31	I27-P42 HydrophobicContact CG2-CB 3.87Å; I27-P42 HydrophobicContact CG2-CG 3.91Å; K30-P42 HydrophobicContact CB-CB 4.18Å; K30-P42 HydrophobicContact CB-CG 3.84Å; R31-P42 HydrophobicContact CG-CG 3.59Å
43	G	80.4	Confident	83.2	Confident	85 Å²	85	64.3 Å²	64.3	88%	0.876	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.8	-9.2	-177.6	0	0	0	0	0	114.6	L41	L41-G43 PolarHBondContact O-N 3.02Å; L41-G43 VanDerWaalsContact O-N 3.17Å
44	E	81.6	Confident	82.5	Confident	112 Å²	112	65.4 Å²	65.4	52%	0.523	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-89.6	127.5	168.1	-68.2	-177.5	170.7	0	0	109.9	P40 L41	P40-E44 HydrophobicContact CB-CB 4.44Å; L41-E44 HydrophobicContact CB-CB 4.45Å; L41-E44 HydrophobicContact CB-CG 4.03Å; L41-E44 PolarHBondContact O-N 3.06Å
45	E	68.9	Low	82.4	Confident	96 Å²	96	65.5 Å²	65.5	45%	0.449	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-86.4	128.5	168.6	-74.5	-156	177.4	0	0	110.6	V47 R599	E45-V47 PolarHBondContact O-N 3.42Å; E45-R599 WeakPolarHBondContact OE2-CG 3.47Å; E45-R599 IonicContact OE2-CZ 2.74Å; E45-R599 IonicContact OE2-NE 2.68Å; E45-R599 PolarHBondContact OE2-NE 3.3Å; E45-R599 IonicContact OE2-NH2 3.1Å
46	P	69.1	Low	82.5	Confident	30 Å²	30	64.3 Å²	64.3	20%	0.195	39%	0.387	C	S	.	.	P	Polyproline II helix	trans	-64.3	134.5	176.1	24.8	-31.7	0	0	0	111.4	P40 G48 V50	P40-P46 HydrophobicContact CG-CB 3.79Å; P40-P46 HydrophobicContact CG-CG 4.19Å; P46-G48 PolarHBondContact O-N 3.35Å; P46-G48 VanDerWaalsContact O-N 3.14Å; P46-V50 HydrophobicContact CB-CG2 3.46Å; P46-V50 VanDerWaalsContact CB-CG2 3.46Å; P46-V50 HydrophobicContact CG-CG2 3.31Å
47	V	65.9	Low	82.6	Confident	155 Å²	155	64.9 Å²	64.9	94%	0.939	40%	0.396	S	S	*	.	S	Bend	trans	-77.1	97.5	167.3	-176.2	0	0	0	0	107.7	E45	E45-V47 PolarHBondContact O-N 3.42Å
48	G	73.9	Confident	82.9	Confident	38 Å²	38	64.7 Å²	64.7	39%	0.392	40%	0.395	S	S	.	.	S	Bend	trans	97.6	-165.7	-178.1	0	0	0	0	0	113.6	P46 N329	P46-G48 PolarHBondContact O-N 3.35Å; P46-G48 VanDerWaalsContact O-N 3.14Å; G48-N329 PolarHBondContact O-ND2 2.8Å
49	R	81.9	Confident	83.4	Confident	123 Å²	123	62 Å²	62	46%	0.464	37%	0.373	S	S	.	.			trans	-78.3	133.3	-176.4	-162.5	-178	-167.6	-172.4	4.5	110.2	N329	R49-N329 WeakPolarHBondContact CA-ND2 3.28Å; R49-N329 WeakPolarHBondContact CA-O 3.47Å; R49-N329 WeakPolarHBondContact CG-O 3.47Å; R49-N329 PolarHBondContact N-ND2 2.92Å
50	V	85.1	Confident	83.7	Confident	14 Å²	14	64.7 Å²	64.7	9%	0.085	40%	0.396	C	S	.	.	B	Isolated β-bridge	trans	-81.9	120.8	175.3	-166.9	0	0	0	0	109.1	P40 P46 W323 N329 A330 M331	P40-V50 HydrophobicContact CG-CG2 4.24Å; P46-V50 HydrophobicContact CB-CG2 3.46Å; P46-V50 VanDerWaalsContact CB-CG2 3.46Å; P46-V50 HydrophobicContact CG-CG2 3.31Å; V50-W323 HydrophobicContact CB-CH2 3.84Å; V50-W323 HydrophobicContact CB-CZ3 4.11Å; V50-W323 HydrophobicContact CG1-CH2 3.58Å; V50-W323 HydrophobicContact CG1-CZ3 3.68Å; V50-N329 PolarHBondContact N-O 2.77Å; V50-A330 HydrophobicContact CB-CB 4.35Å; V50-M331 PolarHBondContact O-N 3.46Å
51	E	83.8	Confident	84.1	Confident	106 Å²	106	64.3 Å²	64.3	50%	0.495	39%	0.392	S	S	.	.			trans	-113	155.3	-179.7	-65.9	-168.9	171.7	0	0	112	V53 M331	E51-V53 HydrophobicContact CB-CG2 4.09Å; E51-V53 WeakPolarHBondContact O-CG2 3.41Å; E51-V53 PolarHBondContact O-N 3.24Å; E51-V53 VanDerWaalsContact O-N 3.1Å; E51-M331 HydrophobicContact CB-CE 4.36Å; E51-M331 HydrophobicContact CG-CE 4.19Å
52	P	76.9	Confident	84.6	Confident	26 Å²	26	61.2 Å²	61.2	17%	0.169	38%	0.376	C	S	.	.			trans	-78.2	91	173.8	30.4	-29.1	0	0	0	113	F37 M331 K333	F37-P52 HydrophobicContact CE2-CB 3.45Å; F37-P52 VanDerWaalsContact CE2-CB 3.45Å; F37-P52 HydrophobicContact CZ-CB 3.48Å; F37-P52 VanDerWaalsContact CZ-CB 3.48Å; P52-M331 HydrophobicContact CG-CE 3.97Å; P52-K333 HydrophobicContact CG-CB 4.39Å; P52-K333 HydrophobicContact CG-CD 3.96Å; P52-K333 HydrophobicContact CG-CG 4.34Å
53	V	77.3	Confident	85.1	Confident	127 Å²	127	63 Å²	63	77%	0.77	38%	0.381	S	S	*	.			trans	-106.1	-24.9	-175.5	-149	0	0	0	0	113.8	E51	E51-V53 HydrophobicContact CB-CG2 4.09Å; E51-V53 WeakPolarHBondContact O-CG2 3.41Å; E51-V53 PolarHBondContact O-N 3.24Å; E51-V53 VanDerWaalsContact O-N 3.1Å
54	G	80.3	Confident	85.9	Confident	23 Å²	23	64.5 Å²	64.5	24%	0.237	36%	0.363	C	S	.	.			trans	-133	65	-169.5	0	0	0	0	0	115.5	F37	F37-G54 CarbonylContact C-O 3.53Å; F37-G54 VanDerWaalsContact CA-O 3.22Å; F37-G54 WeakPolarHBondContact CA-O 3.44Å
55	H	90.1	Very high	86.6	Confident	75 Å²	75	59.1 Å²	59.1	35%	0.347	34%	0.338	S	S	.	.			trans	-93.4	-0.1	-173.2	65.5	73.9	0	0	0	116	F37 L58 L59 I335 I336	F37-H55 HydrophobicContact CD2-CB 4.45Å; H55-L58 PolarHBondContact O-N 3.41Å; H55-L59 WeakPolarHBondContact O-CB 2.97Å; H55-L59 PolarHBondContact O-N 3.07Å; H55-I335 HydrophobicContact CB-CG2 3.59Å; H55-I336 HydrophobicContact CB-CG1 4.1Å
56	A	94.4	Very high	88	Confident	69 Å²	69	55.1 Å²	55.1	57%	0.57	32%	0.32	S	S	*	.	H	α-helix	trans	-59	-42.6	-173.3	0	0	0	0	0	114.5	L59 A60	A56-L59 PolarHBondContact O-N 3.33Å; A56-A60 WeakPolarHBondContact O-CB 3.37Å; A56-A60 PolarHBondContact O-N 3.15Å
57	P	95.6	Very high	89.3	Confident	60 Å²	60	58.5 Å²	58.5	39%	0.39	34%	0.336	S	S	.	.	H	α-helix	trans	-65.7	-41.3	176.9	-20.5	33.2	0	0	0	112.7	F36 L59 A60 L61	F36-P57 HydrophobicContact CD1-CB 4.02Å; P57-L59 VanDerWaalsContact C-N 3.34Å; P57-A60 PolarHBondContact O-N 3.33Å; P57-L61 PolarHBondContact O-N 2.98Å
58	L	96.2	Very high	90.7	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-62.5	-42.7	175.6	-174.8	62.1	0	0	0	111	F32 F36 H55 L61 V62 L316 I335 I336	F32-L58 HydrophobicContact CE1-CD1 3.86Å; F32-L58 HydrophobicContact CZ-CD1 3.77Å; F36-L58 HydrophobicContact CB-CB 4.12Å; F36-L58 HydrophobicContact CB-CD1 4.33Å; F36-L58 WeakPolarHBondContact O-CB 3.42Å; F36-L58 PolarHBondContact O-N 2.8Å; H55-L58 PolarHBondContact O-N 3.41Å; L58-L61 WeakPolarHBondContact O-CB 3.42Å; L58-L61 PolarHBondContact O-N 3.23Å; L58-V62 WeakPolarHBondContact O-CG2 3.4Å; L58-V62 PolarHBondContact O-N 3.47Å; L58-L316 HydrophobicContact CD1-CD2 4.16Å; L58-I335 HydrophobicContact CD2-CB 4.26Å; L58-I335 HydrophobicContact CD2-CD1 4.29Å; L58-I335 HydrophobicContact CD2-CG2 3.75Å; L58-I336 HydrophobicContact CB-CD1 3.86Å; L58-I336 HydrophobicContact CD2-CD1 3.77Å; L58-I336 HydrophobicContact CD2-CG1 4.17Å; L58-I336 HydrophobicContact CG-CD1 3.54Å; L58-I336 HydrophobicContact CG-CG1 4.45Å
59	L	97	Very high	91.8	Very high	35 Å²	35	49.8 Å²	49.8	18%	0.183	28%	0.276	C	S	.	.	H	α-helix	trans	-61.8	-45.8	177.8	-178.2	61.5	0	0	0	111.5	H55 A56 P57 L61 V62 H63 I336 E340	H55-L59 WeakPolarHBondContact O-CB 2.97Å; H55-L59 PolarHBondContact O-N 3.07Å; A56-L59 PolarHBondContact O-N 3.33Å; P57-L59 VanDerWaalsContact C-N 3.34Å; L59-L61 VanDerWaalsContact C-N 3.28Å; L59-L61 PolarHBondContact O-N 3.15Å; L59-V62 PolarHBondContact O-N 3.16Å; L59-H63 WeakPolarHBondContact CD1-NE2 3.47Å; L59-H63 PolarHBondContact O-N 3.49Å; L59-I336 VanDerWaalsContact CA-CD1 3.5Å; L59-I336 HydrophobicContact CB-CD1 3.86Å; L59-I336 HydrophobicContact CD1-CD1 4.24Å; L59-I336 HydrophobicContact CD1-CG2 3.81Å; L59-E340 HydrophobicContact CD1-CB 3.9Å; L59-E340 HydrophobicContact CD1-CG 3.79Å
60	A	96.9	Very high	92.5	Very high	59 Å²	59	45.1 Å²	45.1	49%	0.488	26%	0.262	S	S	.	.	H	α-helix	trans	-60.3	-37.9	175.4	0	0	0	0	0	112.3	A56 P57 K64	A56-A60 WeakPolarHBondContact O-CB 3.37Å; A56-A60 PolarHBondContact O-N 3.15Å; P57-A60 PolarHBondContact O-N 3.33Å; A60-K64 VanDerWaalsContact O-CB 3.31Å; A60-K64 WeakPolarHBondContact O-CB 3.36Å; A60-K64 PolarHBondContact O-N 3.42Å
61	L	96.6	Very high	92.9	Very high	15 Å²	15	51 Å²	51	8%	0.079	29%	0.289	C	S	.	.	H	α-helix	trans	-64.6	-47.5	174	177.8	62.7	0	0	0	111.4	F6 L10 F32 F36 P57 L58 L59 K64 M65 L316	F6-L61 HydrophobicContact CE1-CD1 4.25Å; L10-L61 HydrophobicContact CD2-CD2 4.14Å; F32-L61 HydrophobicContact CE2-CD2 4.1Å; F32-L61 HydrophobicContact CZ-CD2 4Å; F36-L61 HydrophobicContact CD1-CB 4.42Å; F36-L61 HydrophobicContact CD1-CD2 4.2Å; F36-L61 HydrophobicContact CE1-CB 4.14Å; F36-L61 HydrophobicContact CE1-CD2 3.85Å; F36-L61 HydrophobicContact CZ-CD2 4.24Å; P57-L61 PolarHBondContact O-N 2.98Å; L58-L61 WeakPolarHBondContact O-CB 3.42Å; L58-L61 PolarHBondContact O-N 3.23Å; L59-L61 VanDerWaalsContact C-N 3.28Å; L59-L61 PolarHBondContact O-N 3.15Å; L61-K64 PolarHBondContact O-N 3.19Å; L61-M65 HydrophobicContact CD1-CE 4.11Å; L61-M65 HydrophobicContact CD1-CG 4.23Å; L61-M65 WeakPolarHBondContact O-CG 3.42Å; L61-M65 PolarHBondContact O-N 3.46Å; L61-L316 HydrophobicContact CD2-CD1 4Å; L61-L316 HydrophobicContact CD2-CD2 4.11Å; L61-L316 HydrophobicContact CG-CD1 4.09Å
62	V	97.7	Very high	93.5	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-58.8	-50.5	178.4	170.3	0	0	0	0	110.8	L58 L59 K64 M65 N66 L313 L316 I336 F341	L58-V62 WeakPolarHBondContact O-CG2 3.4Å; L58-V62 PolarHBondContact O-N 3.47Å; L59-V62 PolarHBondContact O-N 3.16Å; V62-K64 VanDerWaalsContact C-N 3.29Å; V62-K64 PolarHBondContact O-N 2.91Å; V62-M65 PolarHBondContact O-N 3.22Å; V62-N66 WeakPolarHBondContact O-CB 3.41Å; V62-N66 PolarHBondContact O-N 3.27Å; V62-L313 HydrophobicContact CG1-CD2 4.32Å; V62-L316 HydrophobicContact CG2-CD1 4.45Å; V62-I336 HydrophobicContact CG2-CD1 4.3Å; V62-F341 HydrophobicContact CB-CE1 4.29Å; V62-F341 HydrophobicContact CG1-CD1 3.68Å; V62-F341 HydrophobicContact CG1-CD2 4.45Å; V62-F341 HydrophobicContact CG1-CE1 3.67Å; V62-F341 HydrophobicContact CG1-CE2 4.45Å; V62-F341 HydrophobicContact CG1-CG 4.09Å; V62-F341 HydrophobicContact CG1-CZ 4.08Å; V62-F341 HydrophobicContact CG2-CD1 4.38Å; V62-F341 HydrophobicContact CG2-CE1 3.53Å; V62-F341 HydrophobicContact CG2-CZ 3.62Å
63	H	97.7	Very high	94.3	Very high	76 Å²	76	47.4 Å²	47.4	35%	0.352	27%	0.27	S	S	.	.	H	α-helix	trans	-58.2	-41.1	176.9	-71.4	169.4	0	0	0	112.2	L59 N66 N67 E340	L59-H63 WeakPolarHBondContact CD1-NE2 3.47Å; L59-H63 PolarHBondContact O-N 3.49Å; H63-N66 PolarHBondContact O-N 2.83Å; H63-N67 WeakPolarHBondContact O-CB 3.43Å; H63-N67 VanDerWaalsContact O-CG 3.29Å; H63-N67 PolarHBondContact O-N 3.35Å; H63-N67 PolarHBondContact O-ND2 3.01Å; H63-E340 IonicContact CD2-OE2 3.87Å; H63-E340 IonicContact CE1-OE2 2.74Å; H63-E340 IonicContact NE2-OE2 3.1Å; H63-E340 PolarHBondContact NE2-OE2 2.89Å
64	K	96.4	Very high	95.2	Very high	115 Å²	115	48 Å²	48	50%	0.5	27%	0.265	S	S	.	.	H	α-helix	trans	-67.6	-39.2	178.3	-161.5	166.1	-170.4	-180	0	112.3	I1 A60 L61 V62 N67 C68	I1-K64 HydrophobicContact CD1-CD 3.38Å; I1-K64 HydrophobicContact CD1-CG 3.89Å; A60-K64 VanDerWaalsContact O-CB 3.31Å; A60-K64 WeakPolarHBondContact O-CB 3.36Å; A60-K64 PolarHBondContact O-N 3.42Å; L61-K64 PolarHBondContact O-N 3.19Å; V62-K64 VanDerWaalsContact C-N 3.29Å; V62-K64 PolarHBondContact O-N 2.91Å; K64-N67 PolarHBondContact O-N 3.49Å; K64-C68 PolarHBondContact O-N 2.94Å; K64-C68 PolarHBondContact O-SG 3.47Å; K64-C68 VanDerWaalsContact O-SG 3.34Å
65	M	97.2	Very high	95.9	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-66.5	-41.5	173.7	-67.9	-50.7	89	0	0	111.4	I1 V7 L61 V62 N67 C68 L69 V309 L312 L313 L316	I1-M65 HydrophobicContact CD1-CE 4.01Å; I1-M65 HydrophobicContact CG2-CE 3.81Å; V7-M65 HydrophobicContact CG2-SD 4.05Å; L61-M65 HydrophobicContact CD1-CE 4.11Å; L61-M65 HydrophobicContact CD1-CG 4.23Å; L61-M65 WeakPolarHBondContact O-CG 3.42Å; L61-M65 PolarHBondContact O-N 3.46Å; V62-M65 PolarHBondContact O-N 3.22Å; M65-N67 VanDerWaalsContact C-N 3.33Å; M65-N67 PolarHBondContact O-N 3.41Å; M65-C68 WeakPolarHBondContact O-CB 3.22Å; M65-C68 PolarHBondContact O-N 3.44Å; M65-C68 VanDerWaalsContact O-N 3.16Å; M65-L69 PolarHBondContact O-N 3.29Å; M65-V309 HydrophobicContact CB-CG1 4.26Å; M65-V309 VanDerWaalsContact O-CG1 3.29Å; M65-V309 WeakPolarHBondContact O-CG1 3.47Å; M65-L312 HydrophobicContact CG-CD2 4.19Å; M65-L312 HydrophobicContact SD-CD2 3.69Å; M65-L313 HydrophobicContact CB-CD1 4.05Å; M65-L313 HydrophobicContact CB-CD2 3.59Å; M65-L313 HydrophobicContact CB-CG 3.73Å; M65-L316 HydrophobicContact CG-CD1 4.26Å
66	N	97.3	Very high	95.8	Very high	11 Å²	11	47.7 Å²	47.7	6%	0.059	26%	0.264	C	S	.	.	H	α-helix	trans	-61.1	-41.6	175.6	-107.5	-33.3	0	0	0	112	V62 H63 L69 S70 E340 F341 N343	V62-N66 WeakPolarHBondContact O-CB 3.41Å; V62-N66 PolarHBondContact O-N 3.27Å; H63-N66 PolarHBondContact O-N 2.83Å; N66-L69 WeakPolarHBondContact O-CB 3.4Å; N66-L69 PolarHBondContact O-N 3.22Å; N66-S70 PolarHBondContact O-N 2.9Å; N66-S70 PolarHBondContact O-OG 2.95Å; N66-E340 PolarHBondContact ND2-O 3.26Å; N66-F341 PolarHBondContact ND2-O 3.36Å; N66-F341 VanDerWaalsContact ND2-O 3.12Å; N66-N343 PolarHBondContact O-ND2 3.2Å; N66-N343 PolarHBondContact OD1-ND2 2.93Å; N66-N343 VanDerWaalsContact OD1-ND2 3.13Å
67	N	96.4	Very high	95.4	Very high	102 Å²	102	46.3 Å²	46.3	55%	0.545	25%	0.249	S	C	.	.	H	α-helix	trans	-63.9	-40.6	173.2	-73	-27.3	0	0	0	112.4	H63 K64 M65 S70 Q71	H63-N67 WeakPolarHBondContact O-CB 3.43Å; H63-N67 VanDerWaalsContact O-CG 3.29Å; H63-N67 PolarHBondContact O-N 3.35Å; H63-N67 PolarHBondContact O-ND2 3.01Å; K64-N67 PolarHBondContact O-N 3.49Å; M65-N67 VanDerWaalsContact C-N 3.33Å; M65-N67 PolarHBondContact O-N 3.41Å; N67-S70 PolarHBondContact O-N 2.74Å; N67-Q71 WeakPolarHBondContact O-CG 3.44Å; N67-Q71 PolarHBondContact O-N 2.68Å; N67-Q71 VanDerWaalsContact O-N 3.13Å
68	C	95.9	Very high	94.4	Very high	10 Å²	10	50.4 Å²	50.4	7%	0.068	26%	0.26	C	S	.	.	H	α-helix	trans	-61.5	-43.9	174	-73.5	0	0	0	0	111.6	K64 M65 Q71 M72 V309	K64-C68 PolarHBondContact O-N 2.94Å; K64-C68 PolarHBondContact O-SG 3.47Å; K64-C68 VanDerWaalsContact O-SG 3.34Å; M65-C68 WeakPolarHBondContact O-CB 3.22Å; M65-C68 PolarHBondContact O-N 3.44Å; M65-C68 VanDerWaalsContact O-N 3.16Å; C68-Q71 PolarHBondContact O-N 2.78Å; C68-M72 WeakPolarHBondContact O-CB 3.17Å; C68-M72 VanDerWaalsContact O-CG 3.29Å; C68-M72 WeakPolarHBondContact O-CG 3.38Å; C68-M72 PolarHBondContact O-N 3.13Å; C68-V309 HydrophobicContact CB-CG1 4.29Å; C68-V309 HydrophobicContact CB-CG2 4.46Å
69	L	96.7	Very high	92.9	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-57.5	-50.1	175.2	173.3	57.6	0	0	0	110.8	M65 N66 Q71 M72 E73 S306 V309 I310 L313 N343 L346 F379	M65-L69 PolarHBondContact O-N 3.29Å; N66-L69 WeakPolarHBondContact O-CB 3.4Å; N66-L69 PolarHBondContact O-N 3.22Å; L69-Q71 PolarHBondContact O-N 3.11Å; L69-M72 PolarHBondContact O-N 3.31Å; L69-M72 VanDerWaalsContact O-N 3.17Å; L69-E73 HydrophobicContact CD1-CB 4.12Å; L69-E73 VanDerWaalsContact O-CB 3.31Å; L69-E73 WeakPolarHBondContact O-CB 3.35Å; L69-E73 VanDerWaalsContact O-CG 3.27Å; L69-E73 WeakPolarHBondContact O-CG 3.37Å; L69-E73 PolarHBondContact O-N 3.29Å; L69-S306 WeakPolarHBondContact CD1-OG 3.48Å; L69-V309 HydrophobicContact CB-CG1 4Å; L69-I310 HydrophobicContact CD1-CD1 4.05Å; L69-I310 HydrophobicContact CD1-CG1 3.64Å; L69-I310 HydrophobicContact CD2-CG1 4.44Å; L69-L313 HydrophobicContact CB-CD1 4.26Å; L69-L313 HydrophobicContact CD2-CD1 3.89Å; L69-N343 HydrophobicContact CD2-CB 4.45Å; L69-L346 HydrophobicContact CD1-CD1 4.46Å; L69-L346 HydrophobicContact CD2-CD1 3.85Å; L69-L346 HydrophobicContact CG-CD1 4.28Å; L69-F379 HydrophobicContact CD2-CD1 4.13Å; L69-F379 HydrophobicContact CD2-CE1 3.5Å; L69-F379 HydrophobicContact CD2-CE2 4.31Å; L69-F379 HydrophobicContact CD2-CZ 3.62Å
70	S	96.6	Very high	91.4	Very high	24 Å²	24	52.5 Å²	52.5	17%	0.168	27%	0.272	C	S	.	.	H	α-helix	trans	-61.9	-25.3	179.1	-62.6	0	0	0	0	113.9	N66 N67 N343 K345	N66-S70 PolarHBondContact O-N 2.9Å; N66-S70 PolarHBondContact O-OG 2.95Å; N67-S70 PolarHBondContact O-N 2.74Å; S70-N343 PolarHBondContact OG-ND2 2.94Å; S70-N343 PolarHBondContact OG-OD1 3.25Å; S70-K345 WeakPolarHBondContact O-CD 3.41Å; S70-K345 WeakPolarHBondContact O-CE 3.39Å; S70-K345 PolarHBondContact O-NZ 3.15Å
71	Q	95.1	Very high	89.1	Confident	139 Å²	139	55 Å²	55	65%	0.65	28%	0.277	S	S	*	.	H	α-helix	trans	-83.9	-34.9	175.7	-71.9	175.5	-3.7	0	0	113.1	N67 C68 L69	N67-Q71 WeakPolarHBondContact O-CG 3.44Å; N67-Q71 PolarHBondContact O-N 2.68Å; N67-Q71 VanDerWaalsContact O-N 3.13Å; C68-Q71 PolarHBondContact O-N 2.78Å; L69-Q71 PolarHBondContact O-N 3.11Å
72	M	94.4	Very high	86.7	Confident	49 Å²	49	56.7 Å²	56.7	24%	0.241	28%	0.284	C	S	.	.	H	α-helix	trans	-93.5	-28.8	-170.6	-68.8	179.9	73	0	0	114	Q2 C68 L69 Q74 P305 V309	Q2-M72 HydrophobicContact CG-SD 3.85Å; C68-M72 WeakPolarHBondContact O-CB 3.17Å; C68-M72 VanDerWaalsContact O-CG 3.29Å; C68-M72 WeakPolarHBondContact O-CG 3.38Å; C68-M72 PolarHBondContact O-N 3.13Å; L69-M72 PolarHBondContact O-N 3.31Å; L69-M72 VanDerWaalsContact O-N 3.17Å; M72-Q74 WeakPolarHBondContact O-CG 3.43Å; M72-Q74 PolarHBondContact O-N 3.02Å; M72-P305 HydrophobicContact CE-CB 4.27Å; M72-P305 WeakPolarHBondContact CE-O 3.43Å; M72-V309 HydrophobicContact SD-CG2 4.05Å
73	E	95.3	Very high	83.9	Confident	7 Å²	7	62.5 Å²	62.5	3%	0.033	32%	0.322	C	S	.	.			trans	-60.8	133.5	-175.2	68.4	80	-154.4	0	0	111.8	L69 F75 K345 L346 K349	L69-E73 HydrophobicContact CD1-CB 4.12Å; L69-E73 VanDerWaalsContact O-CB 3.31Å; L69-E73 WeakPolarHBondContact O-CB 3.35Å; L69-E73 VanDerWaalsContact O-CG 3.27Å; L69-E73 WeakPolarHBondContact O-CG 3.37Å; L69-E73 PolarHBondContact O-N 3.29Å; E73-F75 HydrophobicContact CB-CD2 3.88Å; E73-F75 HydrophobicContact CB-CE2 4.05Å; E73-F75 PolarHBondContact OE2-N 3.11Å; E73-K345 HydrophobicContact CG-CD 4.33Å; E73-K345 WeakPolarHBondContact OE1-CD 3.42Å; E73-K345 WeakPolarHBondContact OE1-CE 3.44Å; E73-K345 IonicContact OE1-NZ 3.3Å; E73-K345 PolarHBondContact OE1-NZ 3.04Å; E73-L346 HydrophobicContact CB-CD2 4.25Å; E73-L346 HydrophobicContact CG-CD2 3.9Å; E73-K349 WeakPolarHBondContact OE1-CE 3.42Å; E73-K349 IonicContact OE1-NZ 2.79Å; E73-K349 PolarHBondContact OE1-NZ 3.11Å; E73-K349 WeakPolarHBondContact OE2-CE 3.42Å; E73-K349 IonicContact OE2-NZ 2.68Å; E73-K349 PolarHBondContact OE2-NZ 3.2Å
74	Q	95.3	Very high	81.2	Confident	140 Å²	140	62.6 Å²	62.6	65%	0.654	33%	0.331	S	S	*	.			trans	-118.8	22.3	179.9	-60.1	-173.6	-6.6	0	0	111.7	M72 D304 P305	M72-Q74 WeakPolarHBondContact O-CG 3.43Å; M72-Q74 PolarHBondContact O-N 3.02Å; Q74-D304 WeakPolarHBondContact CA-OD2 3.2Å; Q74-D304 PolarHBondContact N-OD2 3.14Å; Q74-P305 HydrophobicContact CG-CG 4.41Å
75	F	94.9	Very high	78.4	Confident	7 Å²	7	60.4 Å²	60.4	3%	0.031	34%	0.341	C	S	.	.			trans	-59.8	124.3	-175.8	-66.6	-60.7	0	0	0	111.4	E73 F302 D304 I310 L346 K349 W368 L372	E73-F75 HydrophobicContact CB-CD2 3.88Å; E73-F75 HydrophobicContact CB-CE2 4.05Å; E73-F75 PolarHBondContact OE2-N 3.11Å; F75-F302 HydrophobicContact CE1-CD1 4.29Å; F75-F302 AromaticContact CE1-CD2 3.61Å; F75-F302 HydrophobicContact CE1-CD2 3.61Å; F75-F302 HydrophobicContact CE1-CE1 4.29Å; F75-F302 AromaticContact CE1-CE2 3.63Å; F75-F302 HydrophobicContact CE1-CE2 3.63Å; F75-F302 AromaticContact CE1-CG 3.98Å; F75-F302 HydrophobicContact CE1-CG 3.98Å; F75-F302 AromaticContact CE1-CZ 3.98Å; F75-F302 HydrophobicContact CE1-CZ 3.98Å; F75-F302 HydrophobicContact CZ-CD2 4.09Å; F75-F302 AromaticContact CZ-CE2 3.61Å; F75-F302 HydrophobicContact CZ-CE2 3.61Å; F75-F302 AromaticContact CZ-CZ 3.86Å; F75-F302 HydrophobicContact CZ-CZ 3.86Å; F75-D304 HydrophobicContact CE1-CB 4.12Å; F75-D304 HydrophobicContact CZ-CB 4.22Å; F75-I310 HydrophobicContact CE2-CD1 4.06Å; F75-I310 HydrophobicContact CZ-CD1 3.79Å; F75-L346 HydrophobicContact CD2-CD2 3.56Å; F75-L346 HydrophobicContact CE2-CD2 3.98Å; F75-K349 PolarHBondContact O-NZ 2.84Å; F75-W368 HydrophobicContact CB-CD2 3.79Å; F75-W368 HydrophobicContact CB-CE3 4.2Å; F75-W368 HydrophobicContact CB-CG 4.17Å; F75-W368 HydrophobicContact CB-CH2 4.5Å; F75-W368 HydrophobicContact CB-CZ2 4.09Å; F75-W368 HydrophobicContact CD1-CB 3.56Å; F75-W368 AromaticContact CD1-CD2 3.75Å; F75-W368 HydrophobicContact CD1-CD2 3.75Å; F75-W368 HydrophobicContact CD1-CE3 4.1Å; F75-W368 AromaticContact CD1-CG 3.5Å; F75-W368 HydrophobicContact CD1-CG 3.5Å; F75-W368 HydrophobicContact CD2-CE3 4.27Å; F75-W368 HydrophobicContact CE1-CB 3.75Å; F75-W368 HydrophobicContact CE1-CG 4.19Å; F75-W368 HydrophobicContact CG-CB 4.49Å; F75-W368 AromaticContact CG-CD2 3.79Å; F75-W368 HydrophobicContact CG-CD2 3.79Å; F75-W368 AromaticContact CG-CE3 3.92Å; F75-W368 HydrophobicContact CG-CE3 3.92Å; F75-W368 HydrophobicContact CG-CG 4.04Å; F75-L372 HydrophobicContact CE2-CD1 3.87Å; F75-L372 HydrophobicContact CZ-CD1 3.92Å
76	P	88.4	Confident	75.5	Confident	83 Å²	83	69 Å²	69	54%	0.539	39%	0.387	S	S	.	.			trans	-71.6	141.1	-175	27.9	-34.4	0	0	0	110.8	W368	P76-W368 PolarHBondContact O-NE1 2.95Å; P76-W368 VanDerWaalsContact O-NE1 3.16Å
77	V	85.4	Confident	72.6	Confident	41 Å²	41	70.8 Å²	70.8	25%	0.248	41%	0.408	C	S	.	.			trans	-117.2	109.6	169.1	178.6	0	0	0	0	106.8	V79 K349 R352 Q353	V77-V79 HydrophobicContact CG1-CG2 3.98Å; V77-K349 HydrophobicContact CG2-CB 3.62Å; V77-K349 HydrophobicContact CG2-CD 3.72Å; V77-K349 HydrophobicContact CG2-CG 3.53Å; V77-R352 HydrophobicContact CG1-CB 4.22Å; V77-R352 HydrophobicContact CG1-CG 3.8Å; V77-Q353 VanDerWaalsContact CA-NE2 3.32Å
78	K	74.4	Confident	69.8	Low	145 Å²	145	71.8 Å²	71.8	63%	0.63	43%	0.431	S	S	*	.			trans	-78.2	131.6	169.9	-64	-175.2	-179.5	-177.1	0	108.4	Q353	K78-Q353 PolarHBondContact O-NE2 3.12Å
79	V	66.3	Low	67.4	Low	45 Å²	45	73.9 Å²	73.9	27%	0.273	45%	0.454	S	S	.	.			trans	-124.1	131.5	-178.9	-166.7	0	0	0	0	107.4	V77 D81 R352	V77-V79 HydrophobicContact CG1-CG2 3.98Å; V79-D81 VanDerWaalsContact CG1-CG 3.45Å; V79-D81 WeakPolarHBondContact CG1-OD1 3.37Å; V79-D81 WeakPolarHBondContact CG1-OD2 3.23Å; V79-R352 VanDerWaalsContact CG2-CZ 3.43Å; V79-R352 VanDerWaalsContact CG2-NE 3.34Å; V79-R352 VanDerWaalsContact CG2-NH2 3.29Å
80	H	63.9	Low	65.2	Low	35 Å²	35	75.9 Å²	75.9	16%	0.162	48%	0.475	C	S	.	.			trans	-101.4	75.7	176.3	-62.8	-31.3	0	0	0	108.4	P221 D356 L358	H80-P221 HydrophobicContact CB-CB 3.51Å; H80-P221 HydrophobicContact CB-CG 4.12Å; H80-D356 IonicContact CD2-OD1 3.15Å; H80-D356 IonicContact CD2-OD2 3.75Å; H80-D356 PolarHBondContact CD2-OD2 2.73Å; H80-D356 VanDerWaalsContact CD2-OD2 3.3Å; H80-D356 IonicContact CG-OD2 3.68Å; H80-L358 HydrophobicContact CB-CD2 4.24Å
81	D	48.8	Very low	63.1	Low	111 Å²	111	85.6 Å²	85.6	59%	0.594	51%	0.508	S	S	*	.			trans	-80.6	131	-178.5	-73.1	-37.6	0	0	0	111.2	V79	V79-D81 VanDerWaalsContact CG1-CG 3.45Å; V79-D81 WeakPolarHBondContact CG1-OD1 3.37Å; V79-D81 WeakPolarHBondContact CG1-OD2 3.23Å
82	F	47.6	Very low	61.1	Low	50 Å²	50	80 Å²	80	22%	0.219	49%	0.487	C	S	.	.			trans	-107.8	136.8	162.9	-86.1	-99.5	0	0	0	109.4	S84 Q94 A95 P221 L222	F82-S84 PolarHBondContact O-N 2.89Å; F82-Q94 HydrophobicContact CG-CB 4.4Å; F82-A95 HydrophobicContact CD2-CB 3.99Å; F82-A95 VanDerWaalsContact CE2-CA 3.5Å; F82-A95 HydrophobicContact CE2-CB 3.35Å; F82-A95 HydrophobicContact CZ-CB 4.12Å; F82-P221 HydrophobicContact CD2-CG 4.3Å; F82-P221 HydrophobicContact CE2-CG 3.84Å; F82-P221 HydrophobicContact CZ-CG 4.5Å; F82-L222 HydrophobicContact CE1-CD1 3.78Å; F82-L222 HydrophobicContact CE1-CG 4.27Å; F82-L222 HydrophobicContact CE2-CD2 4.47Å; F82-L222 HydrophobicContact CE2-CG 4.39Å; F82-L222 HydrophobicContact CZ-CD1 3.53Å; F82-L222 HydrophobicContact CZ-CD2 3.78Å; F82-L222 HydrophobicContact CZ-CG 3.54Å
83	P	38.7	Very low	59.3	Low	123 Å²	123	78.4 Å²	78.4	80%	0.799	48%	0.481	S	S	*	.			trans	-62.8	114.4	174.6	23.4	-29.3	0	0	0	109.6	G85	P83-G85 PolarHBondContact O-N 3.22Å; P83-G85 VanDerWaalsContact O-N 3.16Å
84	S	40.6	Very low	57.6	Low	78 Å²	78	82.6 Å²	82.6	55%	0.545	50%	0.5	S	S	.	.			trans	-70.1	107.2	176.6	-59.7	0	0	0	0	109.4	F82 N86	F82-S84 PolarHBondContact O-N 2.89Å; S84-N86 PolarHBondContact O-N 2.79Å; S84-N86 VanDerWaalsContact O-N 3.11Å
85	G	36.5	Very low	56	Low	68 Å²	68	76.1 Å²	76.1	70%	0.701	47%	0.471	S	S	*	.			trans	-71.1	97.7	160.2	0	0	0	0	0	109.1	P83 G87	P83-G85 PolarHBondContact O-N 3.22Å; P83-G85 VanDerWaalsContact O-N 3.16Å; G85-G87 PolarHBondContact O-N 2.85Å
86	N	36.3	Very low	54.6	Low	180 Å²	180	76.2 Å²	76.2	96%	0.963	47%	0.471	S	S	*	.	S	Bend	trans	35.5	14.5	161.7	-91.5	37.5	0	0	0	121.7	S84	S84-N86 PolarHBondContact O-N 2.79Å; S84-N86 VanDerWaalsContact O-N 3.11Å
87	G	37.5	Very low	53.6	Low	50 Å²	50	75.1 Å²	75.1	52%	0.515	46%	0.458	S	S	.	.	S	Bend	trans	-114	137.6	177.4	0	0	0	0	0	111.3	G85 G89	G85-G87 PolarHBondContact O-N 2.85Å; G87-G89 PolarHBondContact O-N 2.83Å
88	A	37.7	Very low	53	Low	122 Å²	122	75.3 Å²	75.3	100%	1.008	46%	0.456	S	S	*	.			trans	-70.3	43.7	177.6	0	0	0	0	0	113.6
89	G	44.2	Very low	52.9	Low	55 Å²	55	68.4 Å²	68.4	57%	0.567	43%	0.426	S	S	*	.			trans	-91.3	139.4	177.1	0	0	0	0	0	112.4	G87	G87-G89 PolarHBondContact O-N 2.83Å
90	G	50.6	Low	53	Low	42 Å²	42	69.3 Å²	69.3	43%	0.433	43%	0.429	S	S	.	.			trans	-57.4	135.2	-177.2	0	0	0	0	0	114.7	G92 S93	G90-G92 VanDerWaalsContact C-N 3.27Å; G90-G92 PolarHBondContact O-N 3.38Å; G90-S93 WeakPolarHBondContact O-CB 3.44Å; G90-S93 PolarHBondContact O-N 2.88Å; G90-S93 VanDerWaalsContact O-N 3.13Å
91	R	52.6	Low	53.4	Low	228 Å²	228	72.4 Å²	72.4	86%	0.86	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-20	-165.6	-63.3	175.7	-179.5	172.1	-0.3	116.6
92	G	52.6	Low	54.9	Low	20 Å²	20	70.6 Å²	70.6	21%	0.206	44%	0.439	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.1	-7.8	179.6	0	0	0	0	0	115.8	G90 Q94	G90-G92 VanDerWaalsContact C-N 3.27Å; G90-G92 PolarHBondContact O-N 3.38Å; G92-Q94 PolarHBondContact O-N 3.34Å
93	S	56.8	Low	56.8	Low	16 Å²	16	73.2 Å²	73.2	11%	0.112	45%	0.451	C	S	.	.	H	α-helix	trans	-71	-32.2	-172.8	-175.9	0	0	0	0	112.9	G90 K97	G90-S93 WeakPolarHBondContact O-CB 3.44Å; G90-S93 PolarHBondContact O-N 2.88Å; G90-S93 VanDerWaalsContact O-N 3.13Å; S93-K97 VanDerWaalsContact O-CG 3.24Å; S93-K97 WeakPolarHBondContact O-CG 3.3Å; S93-K97 PolarHBondContact O-N 2.95Å; S93-K97 VanDerWaalsContact O-N 3.09Å; S93-K97 WeakPolarHBondContact OG-CE 3.43Å
94	Q	59.4	Low	59.2	Low	95 Å²	95	67.3 Å²	67.3	44%	0.444	41%	0.413	S	S	.	.	H	α-helix	trans	-74.2	-40.6	-175.6	-65.6	-171.8	-1.9	0	0	113.8	F82 G92 L96 K97 F98	F82-Q94 HydrophobicContact CG-CB 4.4Å; G92-Q94 PolarHBondContact O-N 3.34Å; Q94-L96 VanDerWaalsContact C-N 3.34Å; Q94-L96 PolarHBondContact O-N 3.03Å; Q94-K97 PolarHBondContact O-N 3.37Å; Q94-F98 PolarHBondContact O-N 2.82Å
95	A	63.6	Low	61.6	Low	4 Å²	4	67.9 Å²	67.9	3%	0.033	41%	0.406	C	S	.	.	H	α-helix	trans	-59.4	-47.6	176	0	0	0	0	0	111	F82 K97 F98 F99	F82-A95 HydrophobicContact CD2-CB 3.99Å; F82-A95 VanDerWaalsContact CE2-CA 3.5Å; F82-A95 HydrophobicContact CE2-CB 3.35Å; F82-A95 HydrophobicContact CZ-CB 4.12Å; A95-K97 PolarHBondContact O-N 3.07Å; A95-F98 WeakPolarHBondContact O-CB 3.47Å; A95-F98 PolarHBondContact O-N 3.33Å; A95-F98 VanDerWaalsContact O-N 3.15Å; A95-F99 WeakPolarHBondContact O-CD2 3.4Å; A95-F99 PolarHBondContact O-N 2.85Å
96	L	65.4	Low	64.3	Low	9 Å²	9	64.6 Å²	64.6	5%	0.047	37%	0.372	C	S	.	.	H	α-helix	trans	-60.7	-43.5	176.6	-78.3	-178.8	0	0	0	112.6	Q94 F98 F99 N100 P357 M361 V420	Q94-L96 VanDerWaalsContact C-N 3.34Å; Q94-L96 PolarHBondContact O-N 3.03Å; L96-F98 VanDerWaalsContact C-N 3.27Å; L96-F98 PolarHBondContact O-N 2.72Å; L96-F99 PolarHBondContact O-N 3.45Å; L96-N100 PolarHBondContact O-N 2.91Å; L96-P357 HydrophobicContact CD1-CB 3.39Å; L96-P357 HydrophobicContact CD1-CG 3.87Å; L96-P357 HydrophobicContact CD2-CB 4.07Å; L96-P357 HydrophobicContact CG-CB 3.87Å; L96-M361 HydrophobicContact CD2-CG 4.4Å; L96-V420 HydrophobicContact CB-CG2 3.77Å; L96-V420 HydrophobicContact CD1-CB 4.41Å; L96-V420 HydrophobicContact CD1-CG2 4.02Å; L96-V420 HydrophobicContact CD2-CG2 4.1Å; L96-V420 HydrophobicContact CG-CG2 4.18Å
97	K	66.8	Low	67	Low	60 Å²	60	57.5 Å²	57.5	26%	0.261	33%	0.333	S	S	.	.	H	α-helix	trans	-58.5	-40.6	173.5	-74.2	177.6	-154.6	-141	0	111.5	S93 Q94 A95 N100 T101 S418	S93-K97 VanDerWaalsContact O-CG 3.24Å; S93-K97 WeakPolarHBondContact O-CG 3.3Å; S93-K97 PolarHBondContact O-N 2.95Å; S93-K97 VanDerWaalsContact O-N 3.09Å; S93-K97 WeakPolarHBondContact OG-CE 3.43Å; Q94-K97 PolarHBondContact O-N 3.37Å; A95-K97 PolarHBondContact O-N 3.07Å; K97-N100 PolarHBondContact O-N 3.4Å; K97-T101 WeakPolarHBondContact O-CB 3.41Å; K97-T101 VanDerWaalsContact O-CG2 3.3Å; K97-T101 WeakPolarHBondContact O-CG2 3.37Å; K97-T101 PolarHBondContact O-N 3.13Å; K97-T101 VanDerWaalsContact O-N 3.11Å; K97-T101 PolarHBondContact O-OG1 3.36Å; K97-S418 VanDerWaalsContact CE-CB 3.42Å; K97-S418 PolarHBondContact NZ-OG 3.09Å
98	F	72.1	Confident	69.7	Low	45 Å²	45	55.2 Å²	55.2	20%	0.197	31%	0.309	C	S	.	.	H	α-helix	trans	-62.1	-50.8	176.4	-175.6	-81	0	0	0	111.4	Q94 A95 L96 N100 T101 H102 L222 W228	Q94-F98 PolarHBondContact O-N 2.82Å; A95-F98 WeakPolarHBondContact O-CB 3.47Å; A95-F98 PolarHBondContact O-N 3.33Å; A95-F98 VanDerWaalsContact O-N 3.15Å; L96-F98 VanDerWaalsContact C-N 3.27Å; L96-F98 PolarHBondContact O-N 2.72Å; F98-N100 VanDerWaalsContact C-N 3.28Å; F98-N100 PolarHBondContact O-N 2.89Å; F98-T101 PolarHBondContact O-N 3.46Å; F98-T101 VanDerWaalsContact O-N 3.14Å; F98-T101 PolarHBondContact O-OG1 3.19Å; F98-T101 VanDerWaalsContact O-OG1 3.04Å; F98-H102 HydrophobicContact CD1-CB 4.41Å; F98-H102 AromaticContact CD1-ND1 3.96Å; F98-H102 AromaticContact CD2-CE1 3.49Å; F98-H102 VanDerWaalsContact CD2-CE1 3.49Å; F98-H102 WeakPolarHBondContact CD2-CE1 3.26Å; F98-H102 AromaticContact CD2-ND1 3.66Å; F98-H102 HydrophobicContact CE1-CB 4.03Å; F98-H102 AromaticContact CE1-CG 3.73Å; F98-H102 AromaticContact CE1-ND1 3.95Å; F98-H102 AromaticContact CE2-CD2 3.81Å; F98-H102 AromaticContact CE2-CE1 3.33Å; F98-H102 WeakPolarHBondContact CE2-CE1 3.42Å; F98-H102 AromaticContact CE2-CG 3.96Å; F98-H102 AromaticContact CE2-ND1 3.67Å; F98-H102 AromaticContact CE2-NE2 3.42Å; F98-H102 WeakPolarHBondContact CE2-NE2 3.1Å; F98-H102 AromaticContact CG-ND1 3.82Å; F98-H102 HydrophobicContact CZ-CB 4.38Å; F98-H102 AromaticContact CZ-CD2 3.55Å; F98-H102 AromaticContact CZ-CE1 3.83Å; F98-H102 AromaticContact CZ-CG 3.65Å; F98-H102 AromaticContact CZ-ND1 3.82Å; F98-H102 AromaticContact CZ-NE2 3.68Å; F98-H102 WeakPolarHBondContact O-CB 3.43Å; F98-H102 PolarHBondContact O-N 3.37Å; F98-H102 PolarHBondContact O-ND1 3.19Å; F98-L222 HydrophobicContact CB-CD1 4.45Å; F98-L222 HydrophobicContact CB-CD2 4.04Å; F98-L222 HydrophobicContact CD1-CD1 3.83Å; F98-L222 HydrophobicContact CD1-CD2 3.26Å; F98-L222 HydrophobicContact CD1-CG 4.09Å; F98-L222 HydrophobicContact CD2-CD1 3.62Å; F98-L222 HydrophobicContact CD2-CD2 4.47Å; F98-L222 HydrophobicContact CE1-CB 4.45Å; F98-L222 HydrophobicContact CE1-CD1 3.92Å; F98-L222 HydrophobicContact CE1-CD2 3.79Å; F98-L222 HydrophobicContact CE1-CG 4.26Å; F98-L222 HydrophobicContact CE2-CD1 3.7Å; F98-L222 HydrophobicContact CG-CD1 3.68Å; F98-L222 HydrophobicContact CG-CD2 3.67Å; F98-L222 HydrophobicContact CG-CG 4.31Å; F98-L222 HydrophobicContact CZ-CD1 3.85Å; F98-W228 HydrophobicContact CD1-CH2 4.31Å; F98-W228 HydrophobicContact CD1-CZ2 4.26Å; F98-W228 AromaticContact CE1-CD2 3.77Å; F98-W228 HydrophobicContact CE1-CD2 3.77Å; F98-W228 AromaticContact CE1-CE2 3.5Å; F98-W228 HydrophobicContact CE1-CE3 4Å; F98-W228 HydrophobicContact CE1-CG 4.46Å; F98-W228 AromaticContact CE1-CH2 3.76Å; F98-W228 HydrophobicContact CE1-CH2 3.76Å; F98-W228 AromaticContact CE1-CZ2 3.52Å; F98-W228 HydrophobicContact CE1-CZ2 3.52Å; F98-W228 AromaticContact CE1-CZ3 3.98Å; F98-W228 HydrophobicContact CE1-CZ3 3.98Å; F98-W228 HydrophobicContact CZ-CD2 4.05Å; F98-W228 HydrophobicContact CZ-CG 4.3Å; F98-W228 HydrophobicContact CZ-CZ2 4.47Å
99	F	73.3	Confident	72.3	Confident	0 Å²	0	52 Å²	52	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-62	-33.4	-180	-78	-70.6	0	0	0	113.3	A95 L96 H102 P129 L130 Y198 L222 W228 L358	A95-F99 WeakPolarHBondContact O-CD2 3.4Å; A95-F99 PolarHBondContact O-N 2.85Å; L96-F99 PolarHBondContact O-N 3.45Å; F99-H102 VanDerWaalsContact O-O 3.13Å; F99-P129 HydrophobicContact CD1-CB 3.68Å; F99-P129 HydrophobicContact CD1-CG 4.07Å; F99-P129 HydrophobicContact CE1-CB 4.22Å; F99-P129 WeakPolarHBondContact O-CD 3.28Å; F99-L130 HydrophobicContact CB-CD1 4.06Å; F99-L130 HydrophobicContact CB-CG 4.14Å; F99-L130 HydrophobicContact CD1-CD2 4.42Å; F99-L130 HydrophobicContact CG-CD2 4.43Å; F99-L130 HydrophobicContact CG-CG 4.41Å; F99-Y198 AromaticContact CE1-CD1 3.97Å; F99-Y198 HydrophobicContact CE1-CD1 3.97Å; F99-Y198 AromaticContact CE1-CD2 3.62Å; F99-Y198 HydrophobicContact CE1-CD2 3.62Å; F99-Y198 HydrophobicContact CE1-CE1 4.13Å; F99-Y198 AromaticContact CE1-CE2 3.77Å; F99-Y198 HydrophobicContact CE1-CE2 3.77Å; F99-Y198 AromaticContact CE1-CG 3.71Å; F99-Y198 HydrophobicContact CE1-CG 3.71Å; F99-Y198 HydrophobicContact CZ-CD1 4.16Å; F99-Y198 HydrophobicContact CZ-CD2 4.28Å; F99-Y198 AromaticContact CZ-CE1 3.91Å; F99-Y198 HydrophobicContact CZ-CE1 3.91Å; F99-Y198 HydrophobicContact CZ-CE2 4.02Å; F99-Y198 HydrophobicContact CZ-CG 4.34Å; F99-Y198 AromaticContact CZ-CZ 3.84Å; F99-L222 HydrophobicContact CD2-CD2 4.36Å; F99-L222 HydrophobicContact CE2-CD2 3.77Å; F99-L222 HydrophobicContact CZ-CD2 4.02Å; F99-W228 AromaticContact CD1-CH2 3.65Å; F99-W228 HydrophobicContact CD1-CH2 3.65Å; F99-W228 HydrophobicContact CD1-CZ2 4.36Å; F99-W228 AromaticContact CE1-CH2 3.49Å; F99-W228 HydrophobicContact CE1-CH2 3.49Å; F99-W228 VanDerWaalsContact CE1-CH2 3.49Å; F99-W228 AromaticContact CE1-CZ2 3.81Å; F99-W228 HydrophobicContact CE1-CZ2 3.81Å; F99-W228 HydrophobicContact CZ-CH2 4.46Å; F99-W228 HydrophobicContact CZ-CZ2 4.4Å; F99-L358 HydrophobicContact CD2-CD1 3.77Å; F99-L358 HydrophobicContact CE2-CD1 3.32Å; F99-L358 HydrophobicContact CE2-CD2 3.75Å; F99-L358 HydrophobicContact CE2-CG 4.2Å; F99-L358 HydrophobicContact CZ-CD1 3.87Å; F99-L358 HydrophobicContact CZ-CD2 4.32Å
100	N	67.7	Low	74.6	Confident	65 Å²	65	52.1 Å²	52.1	35%	0.348	26%	0.257	S	S	.	.	H	α-helix	trans	-73.5	-29.9	175.5	-78.7	-1.9	0	0	0	114.2	L96 K97 F98 V420	L96-N100 PolarHBondContact O-N 2.91Å; K97-N100 PolarHBondContact O-N 3.4Å; F98-N100 VanDerWaalsContact C-N 3.28Å; F98-N100 PolarHBondContact O-N 2.89Å; N100-V420 WeakPolarHBondContact ND2-CG2 3.1Å
101	T	72.4	Confident	76.5	Confident	100 Å²	100	50.5 Å²	50.5	61%	0.613	24%	0.238	S	C	*	.	H	α-helix	trans	-91.3	-21.2	-175.6	49.3	0	0	0	0	112.6	K97 F98	K97-T101 WeakPolarHBondContact O-CB 3.41Å; K97-T101 VanDerWaalsContact O-CG2 3.3Å; K97-T101 WeakPolarHBondContact O-CG2 3.37Å; K97-T101 PolarHBondContact O-N 3.13Å; K97-T101 VanDerWaalsContact O-N 3.11Å; K97-T101 PolarHBondContact O-OG1 3.36Å; F98-T101 PolarHBondContact O-N 3.46Å; F98-T101 VanDerWaalsContact O-N 3.14Å; F98-T101 PolarHBondContact O-OG1 3.19Å; F98-T101 VanDerWaalsContact O-OG1 3.04Å
102	H	80.3	Confident	78	Confident	73 Å²	73	44.1 Å²	44.1	34%	0.338	23%	0.226	S	C	.	.			trans	-102.9	148.5	-179.2	-66.6	68.6	0	0	0	110.7	F98 F99 P129 W228	F98-H102 HydrophobicContact CD1-CB 4.41Å; F98-H102 AromaticContact CD1-ND1 3.96Å; F98-H102 AromaticContact CD2-CE1 3.49Å; F98-H102 VanDerWaalsContact CD2-CE1 3.49Å; F98-H102 WeakPolarHBondContact CD2-CE1 3.26Å; F98-H102 AromaticContact CD2-ND1 3.66Å; F98-H102 HydrophobicContact CE1-CB 4.03Å; F98-H102 AromaticContact CE1-CG 3.73Å; F98-H102 AromaticContact CE1-ND1 3.95Å; F98-H102 AromaticContact CE2-CD2 3.81Å; F98-H102 AromaticContact CE2-CE1 3.33Å; F98-H102 WeakPolarHBondContact CE2-CE1 3.42Å; F98-H102 AromaticContact CE2-CG 3.96Å; F98-H102 AromaticContact CE2-ND1 3.67Å; F98-H102 AromaticContact CE2-NE2 3.42Å; F98-H102 WeakPolarHBondContact CE2-NE2 3.1Å; F98-H102 AromaticContact CG-ND1 3.82Å; F98-H102 HydrophobicContact CZ-CB 4.38Å; F98-H102 AromaticContact CZ-CD2 3.55Å; F98-H102 AromaticContact CZ-CE1 3.83Å; F98-H102 AromaticContact CZ-CG 3.65Å; F98-H102 AromaticContact CZ-ND1 3.82Å; F98-H102 AromaticContact CZ-NE2 3.68Å; F98-H102 WeakPolarHBondContact O-CB 3.43Å; F98-H102 PolarHBondContact O-N 3.37Å; F98-H102 PolarHBondContact O-ND1 3.19Å; F99-H102 VanDerWaalsContact O-O 3.13Å; H102-P129 WeakPolarHBondContact O-CD 3.31Å; H102-P129 WeakPolarHBondContact O-CG 3.38Å; H102-W228 HydrophobicContact CB-CE3 3.86Å; H102-W228 HydrophobicContact CB-CZ3 3.83Å
103	Q	87.6	Confident	79.5	Confident	104 Å²	104	49 Å²	49	49%	0.486	25%	0.247	S	C	.	.			trans	-126	139.6	177	-64.3	180	-34.5	0	0	108.9	K126 I127	Q103-K126 HydrophobicContact CB-CB 3.9Å; Q103-K126 HydrophobicContact CG-CB 4.46Å; Q103-I127 WeakPolarHBondContact CA-O 3.49Å
104	L	89.2	Confident	80.6	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	134	172	-66.9	171.9	0	0	0	109	K126 I127 P129 V197 V201 I227 W228	L104-K126 CarbonylContact O-C 3.58Å; L104-K126 WeakPolarHBondContact O-CA 3.46Å; L104-I127 PolarHBondContact N-O 3.23Å; L104-I127 PolarHBondContact O-N 3.38Å; L104-P129 HydrophobicContact CD1-CB 3.92Å; L104-P129 HydrophobicContact CD1-CG 4.48Å; L104-P129 HydrophobicContact CG-CB 4.12Å; L104-P129 HydrophobicContact CG-CG 4.14Å; L104-V197 HydrophobicContact CD1-CB 4.36Å; L104-V197 HydrophobicContact CD1-CG1 3.9Å; L104-V201 HydrophobicContact CD1-CB 4.44Å; L104-V201 HydrophobicContact CD1-CG2 4.27Å; L104-I227 HydrophobicContact CD2-CG2 3.67Å; L104-I227 WeakPolarHBondContact CD2-O 2.85Å; L104-W228 HydrophobicContact CD2-CD2 4.49Å; L104-W228 HydrophobicContact CD2-CE3 3.85Å; L104-W228 HydrophobicContact CD2-CH2 4.42Å; L104-W228 HydrophobicContact CD2-CZ3 3.82Å; L104-W228 HydrophobicContact CG-CZ3 4.25Å
105	K	91.4	Very high	81.5	Confident	89 Å²	89	47.8 Å²	47.8	39%	0.387	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	106.1	176.7	-169.7	174.2	171.8	-170.6	0	108.7	P124 T231 H232	K105-P124 HydrophobicContact CD-CB 4.2Å; K105-P124 HydrophobicContact CG-CB 3.7Å; K105-T231 VanDerWaalsContact CD-OG1 3.26Å; K105-T231 WeakPolarHBondContact CD-OG1 3.14Å; K105-T231 VanDerWaalsContact CE-OG1 3.3Å; K105-T231 WeakPolarHBondContact CE-OG1 3.44Å; K105-T231 HydrophobicContact CG-CG2 4.11Å; K105-T231 CarbonylContact O-C 3.45Å; K105-T231 WeakPolarHBondContact O-CA 3.36Å; K105-H232 PolarHBondContact O-N 3.04Å
106	C	93.2	Very high	82.3	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	127.7	-177.1	-63.2	0	0	0	0	111.1	P124 V125 I127 H232 I234	C106-P124 CarbonylContact O-C 3.6Å; C106-P124 WeakPolarHBondContact O-CA 3.48Å; C106-V125 PolarHBondContact N-O 3.23Å; C106-V125 PolarHBondContact O-N 3.07Å; C106-I127 HydrophobicContact CB-CD1 3.67Å; C106-I127 HydrophobicContact CB-CG1 4.28Å; C106-H232 CarbonylContact C-O 3.56Å; C106-H232 WeakPolarHBondContact CA-O 3.38Å; C106-I234 HydrophobicContact CB-CD1 4.03Å; C106-I234 HydrophobicContact CB-CG1 4.46Å
107	Q	93.4	Very high	83.1	Confident	31 Å²	31	49.9 Å²	49.9	15%	0.145	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	106	171.3	-177.5	57.9	61.2	0	0	108.7	Q109 P124 T231 H232 T233 I234	Q107-Q109 HydrophobicContact CG-CG 3.89Å; Q107-P124 VanDerWaalsContact OE1-CD 3.25Å; Q107-P124 VanDerWaalsContact OE1-CG 3.28Å; Q107-P124 VanDerWaalsContact OE1-N 3.13Å; Q107-T231 HydrophobicContact CB-CG2 3.79Å; Q107-H232 PolarHBondContact N-O 3.44Å; Q107-T233 CarbonylContact O-C 3.59Å; Q107-T233 WeakPolarHBondContact O-CA 3.36Å; Q107-I234 PolarHBondContact O-N 3.48Å
108	L	94.3	Very high	84	Confident	1 Å²	1	51.8 Å²	51.8	1%	0.005	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	128.2	175	-53.7	-177.9	0	0	0	108.8	W120 V125 I136 L140 I234 Y236	L108-W120 HydrophobicContact CB-CB 4.37Å; L108-W120 HydrophobicContact CB-CG 4.13Å; L108-V125 HydrophobicContact CD1-CG2 4.02Å; L108-V125 HydrophobicContact CG-CG2 4.26Å; L108-I136 HydrophobicContact CD1-CG2 3.89Å; L108-I136 HydrophobicContact CD2-CG2 3.73Å; L108-I136 HydrophobicContact CG-CG2 4.49Å; L108-L140 HydrophobicContact CD1-CD1 4.3Å; L108-L140 HydrophobicContact CD1-CD2 3.94Å; L108-L140 HydrophobicContact CD1-CG 4.21Å; L108-I234 WeakPolarHBondContact CA-O 3.32Å; L108-I234 HydrophobicContact CD2-CB 4.01Å; L108-Y236 HydrophobicContact CB-CD1 4.46Å; L108-Y236 HydrophobicContact CB-CE1 4.31Å
109	Q	92	Very high	84.8	Confident	56 Å²	56	52.4 Å²	52.4	26%	0.262	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	144.3	178.3	-64.5	-172.1	-14.5	0	0	111.1	Q107 T233 I234 W235 Y236	Q107-Q109 HydrophobicContact CG-CG 3.89Å; Q109-T233 HydrophobicContact CB-CG2 4.3Å; Q109-T233 HydrophobicContact CG-CG2 4.09Å; Q109-I234 PolarHBondContact N-O 3.2Å; Q109-W235 HydrophobicContact CB-CD2 4.34Å; Q109-W235 HydrophobicContact CB-CE3 3.52Å; Q109-W235 HydrophobicContact CB-CH2 4.38Å; Q109-W235 HydrophobicContact CB-CZ3 3.56Å; Q109-W235 HydrophobicContact CG-CZ3 4.44Å; Q109-W235 CarbonylContact O-C 3.59Å; Q109-W235 WeakPolarHBondContact O-CA 3.45Å; Q109-Y236 WeakPolarHBondContact O-CD1 3.26Å; Q109-Y236 WeakPolarHBondContact O-CE1 3.35Å; Q109-Y236 PolarHBondContact O-N 2.79Å
110	R	91.9	Very high	85.5	Confident	56 Å²	56	53.5 Å²	53.5	21%	0.211	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	136.2	168.8	-179	179.8	74.1	-177.2	3.9	108.6	C114 A115 V117 W235 Y236	R110-C114 WeakPolarHBondContact CD-O 3.19Å; R110-C114 WeakPolarHBondContact CG-O 3.48Å; R110-C114 WeakPolarHBondContact CG-SG 3.27Å; R110-C114 PolarHBondContact NE-O 2.98Å; R110-A115 PolarHBondContact NH1-O 3.44Å; R110-V117 WeakPolarHBondContact CD-O 3.47Å; R110-V117 HydrophobicContact CG-CG2 3.77Å; R110-V117 PolarHBondContact NH1-O 3.47Å; R110-W235 VanDerWaalsContact O-CE3 3.24Å; R110-W235 VanDerWaalsContact O-CZ3 3.32Å; R110-W235 WeakPolarHBondContact O-CZ3 3.33Å; R110-Y236 WeakPolarHBondContact CA-O 3.23Å; R110-Y236 HydrophobicContact CB-CE2 4.2Å
111	H	90.5	Very high	86.3	Confident	9 Å²	9	57.5 Å²	57.5	4%	0.042	30%	0.295	C	S	.	.			trans	-58.4	137.3	176.8	-162.9	-80.7	0	0	0	110.8	D113 C114 W235 Y236 K237	H111-D113 VanDerWaalsContact CE1-CG 3.49Å; H111-D113 IonicContact CE1-OD2 2.93Å; H111-D113 PolarHBondContact CE1-OD2 2.76Å; H111-D113 WeakPolarHBondContact ND1-CB 3.43Å; H111-D113 PolarHBondContact ND1-N 2.89Å; H111-D113 IonicContact ND1-OD2 2.74Å; H111-D113 PolarHBondContact O-N 3.09Å; H111-C114 PolarHBondContact O-N 3.38Å; H111-C114 PolarHBondContact O-SG 3.47Å; H111-W235 HydrophobicContact CB-CB 4.48Å; H111-Y236 PolarHBondContact N-O 3.07Å; H111-K237 HydrophobicContact CB-CB 3.84Å; H111-K237 HydrophobicContact CB-CD 4.09Å; H111-K237 HydrophobicContact CB-CG 4.44Å
112	P	85.3	Confident	86.7	Confident	93 Å²	93	55.4 Å²	55.4	60%	0.604	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-36.5	-177.9	-27.2	36	0	0	0	113.4	C114 W235	P112-C114 PolarHBondContact O-N 2.74Å; P112-C114 VanDerWaalsContact O-N 3.14Å; P112-W235 HydrophobicContact CG-CE3 4.48Å; P112-W235 HydrophobicContact CG-CH2 4.08Å; P112-W235 HydrophobicContact CG-CZ3 3.92Å
113	D	83.9	Confident	87.1	Confident	122 Å²	122	53.1 Å²	53.1	65%	0.652	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	4.7	179.4	-53.4	-10.9	0	0	0	115.4	H111	H111-D113 VanDerWaalsContact CE1-CG 3.49Å; H111-D113 IonicContact CE1-OD2 2.93Å; H111-D113 PolarHBondContact CE1-OD2 2.76Å; H111-D113 WeakPolarHBondContact ND1-CB 3.43Å; H111-D113 PolarHBondContact ND1-N 2.89Å; H111-D113 IonicContact ND1-OD2 2.74Å; H111-D113 PolarHBondContact O-N 3.09Å
114	C	79.5	Confident	87.1	Confident	13 Å²	13	50.9 Å²	50.9	9%	0.088	28%	0.283	C	S	.	.			trans	-134.9	127	175.7	67.7	0	0	0	0	111.5	R110 H111 P112 K237	R110-C114 WeakPolarHBondContact CD-O 3.19Å; R110-C114 WeakPolarHBondContact CG-O 3.48Å; R110-C114 WeakPolarHBondContact CG-SG 3.27Å; R110-C114 PolarHBondContact NE-O 2.98Å; H111-C114 PolarHBondContact O-N 3.38Å; H111-C114 PolarHBondContact O-SG 3.47Å; P112-C114 PolarHBondContact O-N 2.74Å; P112-C114 VanDerWaalsContact O-N 3.14Å; C114-K237 HydrophobicContact CB-CB 4.33Å; C114-K237 WeakPolarHBondContact SG-CB 3.27Å
115	A	77.1	Confident	87.2	Confident	74 Å²	74	51.9 Å²	51.9	61%	0.612	29%	0.289	S	S	*	.			trans	-105.6	-15.1	175.5	0	0	0	0	0	113.1	R110 V117	R110-A115 PolarHBondContact NH1-O 3.44Å; A115-V117 VanDerWaalsContact C-N 3.28Å; A115-V117 PolarHBondContact O-N 2.87Å
116	N	80.1	Confident	87.2	Confident	57 Å²	57	54.5 Å²	54.5	31%	0.305	30%	0.301	S	S	.	.	S	Bend	trans	-81.5	6.5	-170.1	63	-14.7	0	0	0	114.9	V148 R149	N116-V148 HydrophobicContact CB-CG1 3.95Å; N116-V148 WeakPolarHBondContact ND2-CG1 3.37Å; N116-V148 CarbonylContact O-C 3.44Å; N116-V148 VanDerWaalsContact O-CA 3.3Å; N116-V148 WeakPolarHBondContact O-CA 3.46Å; N116-R149 PolarHBondContact O-N 3.16Å
117	V	84.3	Confident	87	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	31%	0.306	C	S	.	.	S	Bend	trans	-125.1	154.6	169.2	-75.3	0	0	0	0	110	R110 A115 V148 L182 Y236 P238	R110-V117 WeakPolarHBondContact CD-O 3.47Å; R110-V117 HydrophobicContact CG-CG2 3.77Å; R110-V117 PolarHBondContact NH1-O 3.47Å; A115-V117 VanDerWaalsContact C-N 3.28Å; A115-V117 PolarHBondContact O-N 2.87Å; V117-V148 HydrophobicContact CG1-CG2 4.35Å; V117-L182 HydrophobicContact CG1-CD2 4.46Å; V117-Y236 HydrophobicContact CG2-CE2 4.3Å; V117-P238 HydrophobicContact CG1-CB 4.47Å; V117-P238 HydrophobicContact CG1-CG 3.66Å; V117-P238 HydrophobicContact CG2-CG 4.36Å
118	K	85.1	Confident	86.6	Confident	100 Å²	100	57.4 Å²	57.4	44%	0.435	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-64.1	140.6	-179.9	-67.9	-173.3	177.9	-173.6	0	111	Y145 Y236	K118-Y145 HydrophobicContact CB-CD1 3.65Å; K118-Y145 HydrophobicContact CB-CE1 3.97Å; K118-Y236 PolarHBondContact O-OH 3.45Å
119	Q	87.9	Confident	86.2	Confident	57 Å²	57	57.3 Å²	57.3	27%	0.266	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-80.8	132.3	171.8	172.6	63.1	41.4	0	0	110.5	K121 Y236	Q119-K121 PolarHBondContact O-N 2.79Å; Q119-Y236 WeakPolarHBondContact CA-OH 3.43Å
120	W	88.6	Confident	85.8	Confident	23 Å²	23	55.5 Å²	55.5	9%	0.087	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-67.1	119.3	172.2	176.6	-102.5	0	0	0	109.9	L108 G123 V125 Y139 L140 Y145 Y236	L108-W120 HydrophobicContact CB-CB 4.37Å; L108-W120 HydrophobicContact CB-CG 4.13Å; W120-G123 PolarHBondContact NE1-O 3.46Å; W120-V125 HydrophobicContact CZ2-CG2 3.68Å; W120-Y139 AromaticContact CH2-CE1 3.67Å; W120-Y139 HydrophobicContact CH2-CE1 3.67Å; W120-Y139 HydrophobicContact CZ2-CE1 4.31Å; W120-Y139 AromaticContact CZ3-CE1 3.95Å; W120-Y139 HydrophobicContact CZ3-CE1 3.95Å; W120-L140 HydrophobicContact CD2-CD2 4.5Å; W120-L140 HydrophobicContact CE3-CD2 3.95Å; W120-Y145 HydrophobicContact CE3-CD2 4.26Å; W120-Y145 HydrophobicContact CE3-CE1 4.18Å; W120-Y145 AromaticContact CE3-CE2 3.66Å; W120-Y145 HydrophobicContact CE3-CE2 3.66Å; W120-Y145 AromaticContact CE3-CZ 3.62Å; W120-Y145 HydrophobicContact CZ3-CD2 4.48Å; W120-Y145 AromaticContact CZ3-CE2 3.74Å; W120-Y145 HydrophobicContact CZ3-CE2 3.74Å; W120-Y236 HydrophobicContact CB-CE1 4.14Å; W120-Y236 PolarHBondContact N-OH 3.38Å
121	K	84.8	Confident	85.5	Confident	150 Å²	150	53.9 Å²	53.9	65%	0.652	31%	0.307	S	S	*	.			trans	-104.2	-6	179.5	-65.2	-176.1	-178.7	176.3	0	113.3	Q119 G123 D156	Q119-K121 PolarHBondContact O-N 2.79Å; K121-G123 PolarHBondContact O-N 2.94Å; K121-G123 VanDerWaalsContact O-N 3.08Å; K121-D156 PolarHBondContact NZ-O 3.4Å
122	G	80.6	Confident	85.3	Confident	55 Å²	55	55.9 Å²	55.9	57%	0.567	32%	0.318	S	S	*	.	S	Bend	trans	-77.3	15.8	-173.7	0	0	0	0	0	116.5
123	G	87.7	Confident	85.5	Confident	25 Å²	25	51.4 Å²	51.4	26%	0.258	29%	0.289	S	S	.	.			trans	65.6	-164.2	-179	0	0	0	0	0	114.6	W120 K121 V125	W120-G123 PolarHBondContact NE1-O 3.46Å; K121-G123 PolarHBondContact O-N 2.94Å; K121-G123 VanDerWaalsContact O-N 3.08Å; G123-V125 PolarHBondContact O-N 3.4Å
124	P	89	Confident	85.7	Confident	57 Å²	57	48.8 Å²	48.8	37%	0.37	27%	0.273	S	S	.	.	P	Polyproline II helix	trans	-68.2	129.1	179.5	-19	30.2	0	0	0	112.3	K105 C106 Q107 T231	K105-P124 HydrophobicContact CD-CB 4.2Å; K105-P124 HydrophobicContact CG-CB 3.7Å; C106-P124 CarbonylContact O-C 3.6Å; C106-P124 WeakPolarHBondContact O-CA 3.48Å; Q107-P124 VanDerWaalsContact OE1-CD 3.25Å; Q107-P124 VanDerWaalsContact OE1-CG 3.28Å; Q107-P124 VanDerWaalsContact OE1-N 3.13Å; P124-T231 HydrophobicContact CB-CG2 4.06Å; P124-T231 HydrophobicContact CG-CG2 4.22Å
125	V	91.4	Very high	86	Confident	21 Å²	21	50.3 Å²	50.3	13%	0.127	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	135.3	177.3	-174.1	0	0	0	0	109.2	C106 L108 W120 G123 I127	C106-V125 PolarHBondContact N-O 3.23Å; C106-V125 PolarHBondContact O-N 3.07Å; L108-V125 HydrophobicContact CD1-CG2 4.02Å; L108-V125 HydrophobicContact CG-CG2 4.26Å; W120-V125 HydrophobicContact CZ2-CG2 3.68Å; G123-V125 PolarHBondContact O-N 3.4Å; V125-I127 HydrophobicContact CB-CG1 4.31Å; V125-I127 HydrophobicContact CG1-CG1 3.94Å
126	K	90.7	Very high	86.7	Confident	145 Å²	145	47 Å²	47	63%	0.63	26%	0.259	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.6	121.6	170.9	-64	-173.5	-176.1	178.7	0	109.3	Q103 L104	Q103-K126 HydrophobicContact CB-CB 3.9Å; Q103-K126 HydrophobicContact CG-CB 4.46Å; L104-K126 CarbonylContact O-C 3.58Å; L104-K126 WeakPolarHBondContact O-CA 3.46Å
127	I	89.2	Confident	87.2	Confident	19 Å²	19	44.4 Å²	44.4	10%	0.097	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	137.5	-173.3	-49.7	-178.6	0	0	0	109.2	Q103 L104 C106 V125 A131 I136 V197	Q103-I127 WeakPolarHBondContact CA-O 3.49Å; L104-I127 PolarHBondContact N-O 3.23Å; L104-I127 PolarHBondContact O-N 3.38Å; C106-I127 HydrophobicContact CB-CD1 3.67Å; C106-I127 HydrophobicContact CB-CG1 4.28Å; V125-I127 HydrophobicContact CB-CG1 4.31Å; V125-I127 HydrophobicContact CG1-CG1 3.94Å; I127-A131 HydrophobicContact CG2-CB 4.09Å; I127-I136 HydrophobicContact CD1-CD1 3.89Å; I127-I136 HydrophobicContact CD1-CG1 4.06Å; I127-V197 HydrophobicContact CG2-CB 4.49Å; I127-V197 HydrophobicContact CG2-CG2 3.94Å
128	D	85.7	Confident	87.2	Confident	72 Å²	72	48.7 Å²	48.7	39%	0.385	26%	0.261	S	S	.	.			trans	-57.3	125.4	170.7	-178.5	-34	0	0	0	108.9	L130 A131	D128-L130 PolarHBondContact O-N 2.91Å; D128-L130 PolarHBondContact OD1-N 3.02Å; D128-A131 HydrophobicContact CB-CB 4.09Å; D128-A131 VanDerWaalsContact O-CB 3.22Å; D128-A131 WeakPolarHBondContact O-CB 3.43Å; D128-A131 PolarHBondContact O-N 3.09Å
129	P	85.3	Confident	87.3	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-30.3	-176.6	-19.3	29.8	0	0	0	113.5	F99 H102 L104 T196 Y198 W228	F99-P129 HydrophobicContact CD1-CB 3.68Å; F99-P129 HydrophobicContact CD1-CG 4.07Å; F99-P129 HydrophobicContact CE1-CB 4.22Å; F99-P129 WeakPolarHBondContact O-CD 3.28Å; H102-P129 WeakPolarHBondContact O-CD 3.31Å; H102-P129 WeakPolarHBondContact O-CG 3.38Å; L104-P129 HydrophobicContact CD1-CB 3.92Å; L104-P129 HydrophobicContact CD1-CG 4.48Å; L104-P129 HydrophobicContact CG-CB 4.12Å; L104-P129 HydrophobicContact CG-CG 4.14Å; P129-T196 WeakPolarHBondContact O-CB 3.34Å; P129-Y198 WeakPolarHBondContact O-CB 3.24Å; P129-Y198 PolarHBondContact O-N 3.16Å; P129-W228 HydrophobicContact CB-CH2 4.09Å; P129-W228 HydrophobicContact CB-CZ3 4.2Å; P129-W228 HydrophobicContact CG-CH2 3.92Å; P129-W228 HydrophobicContact CG-CZ3 3.6Å
130	L	84	Confident	87.3	Confident	17 Å²	17	45 Å²	45	9%	0.089	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-5.8	179.5	-61.1	-179.3	0	0	0	112.8	F99 D128 T196 L358 M361	F99-L130 HydrophobicContact CB-CD1 4.06Å; F99-L130 HydrophobicContact CB-CG 4.14Å; F99-L130 HydrophobicContact CD1-CD2 4.42Å; F99-L130 HydrophobicContact CG-CD2 4.43Å; F99-L130 HydrophobicContact CG-CG 4.41Å; D128-L130 PolarHBondContact O-N 2.91Å; D128-L130 PolarHBondContact OD1-N 3.02Å; L130-T196 HydrophobicContact CD2-CG2 4.39Å; L130-L358 HydrophobicContact CD2-CD1 4.48Å; L130-M361 HydrophobicContact CB-CE 4.46Å; L130-M361 HydrophobicContact CD1-CB 4.19Å; L130-M361 HydrophobicContact CD1-CE 4.07Å; L130-M361 HydrophobicContact CD1-CG 4.32Å; L130-M361 HydrophobicContact CD2-CB 4.18Å
131	A	84.9	Confident	87.2	Confident	23 Å²	23	44.2 Å²	44.2	19%	0.19	24%	0.24	C	C	.	.	S	Bend	trans	-59.6	145.2	171.2	0	0	0	0	0	110.6	I127 D128 A135 T196 V197	I127-A131 HydrophobicContact CG2-CB 4.09Å; D128-A131 HydrophobicContact CB-CB 4.09Å; D128-A131 VanDerWaalsContact O-CB 3.22Å; D128-A131 WeakPolarHBondContact O-CB 3.43Å; D128-A131 PolarHBondContact O-N 3.09Å; A131-A135 HydrophobicContact CB-CB 4.25Å; A131-T196 CarbonylContact O-C 3.31Å; A131-T196 VanDerWaalsContact O-CA 3.29Å; A131-T196 WeakPolarHBondContact O-CA 3.17Å; A131-V197 WeakPolarHBondContact O-CG2 3.34Å; A131-V197 PolarHBondContact O-N 2.86Å
132	L	86.5	Confident	87	Confident	50 Å²	50	37.8 Å²	37.8	26%	0.262	21%	0.213	S	C	.	.	B	Isolated β-bridge	trans	-74.5	152.6	174.3	-62.6	-174.5	0	0	0	110.9	Q134 A135 N194 M195	L132-Q134 HydrophobicContact CB-CB 4.18Å; L132-Q134 PolarHBondContact O-N 3.45Å; L132-A135 WeakPolarHBondContact O-CA 3.34Å; L132-A135 WeakPolarHBondContact O-CB 3.34Å; L132-A135 PolarHBondContact O-N 3.1Å; L132-N194 WeakPolarHBondContact CD2-O 3.4Å; L132-M195 CarbonylContact C-O 3.47Å; L132-M195 WeakPolarHBondContact CA-O 3.45Å
133	V	89.3	Confident	87.2	Confident	0 Å²	0	40 Å²	40	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-54.3	-35.1	167.4	172.7	0	0	0	0	110.7	A135 I136 E137 F184 L191 M195 A200	V133-A135 PolarHBondContact O-N 3.08Å; V133-I136 VanDerWaalsContact O-CB 3.28Å; V133-I136 WeakPolarHBondContact O-CB 3.31Å; V133-I136 PolarHBondContact O-N 3.15Å; V133-E137 PolarHBondContact O-N 3.15Å; V133-F184 HydrophobicContact CG1-CB 3.77Å; V133-F184 HydrophobicContact CG1-CD2 3.75Å; V133-F184 HydrophobicContact CG1-CG 3.79Å; V133-L191 HydrophobicContact CG1-CB 4.11Å; V133-L191 HydrophobicContact CG1-CD1 4.49Å; V133-L191 HydrophobicContact CG2-CB 4.12Å; V133-L191 HydrophobicContact CG2-CD1 4.12Å; V133-M195 HydrophobicContact CG2-CB 4.34Å; V133-M195 PolarHBondContact N-O 2.84Å; V133-A200 HydrophobicContact CG2-CB 4.49Å
134	Q	87.7	Confident	86.9	Confident	66 Å²	66	39.6 Å²	39.6	31%	0.308	20%	0.2	S	C	.	.	H	α-helix	trans	-56.5	-30.1	171.8	-167.1	177.3	12.5	0	0	114.1	L132 I136 E137 R138 Y193	L132-Q134 HydrophobicContact CB-CB 4.18Å; L132-Q134 PolarHBondContact O-N 3.45Å; Q134-I136 VanDerWaalsContact C-N 3.29Å; Q134-I136 PolarHBondContact O-N 2.81Å; Q134-E137 WeakPolarHBondContact O-CB 3.36Å; Q134-E137 PolarHBondContact O-N 3.01Å; Q134-R138 PolarHBondContact O-N 3.19Å; Q134-Y193 WeakPolarHBondContact CB-O 3.08Å; Q134-Y193 PolarHBondContact N-O 2.76Å
135	A	87.1	Confident	86.7	Confident	46 Å²	46	39 Å²	39	38%	0.38	19%	0.191	S	C	.	.	H	α-helix	trans	-67.6	-32.9	176.4	0	0	0	0	0	111.6	A131 L132 V133 R138 Y139	A131-A135 HydrophobicContact CB-CB 4.25Å; L132-A135 WeakPolarHBondContact O-CA 3.34Å; L132-A135 WeakPolarHBondContact O-CB 3.34Å; L132-A135 PolarHBondContact O-N 3.1Å; V133-A135 PolarHBondContact O-N 3.08Å; A135-R138 PolarHBondContact O-N 2.91Å; A135-Y139 VanDerWaalsContact O-CB 3.31Å; A135-Y139 WeakPolarHBondContact O-CB 3.39Å; A135-Y139 PolarHBondContact O-N 2.9Å
136	I	90.5	Very high	86.1	Confident	5 Å²	5	38.3 Å²	38.3	3%	0.026	19%	0.188	C	C	.	.	H	α-helix	trans	-64.8	-44.9	172.8	-50.7	-177.1	0	0	0	109.7	L108 I127 V133 Q134 R138 Y139 L140 F184 V197 I234	L108-I136 HydrophobicContact CD1-CG2 3.89Å; L108-I136 HydrophobicContact CD2-CG2 3.73Å; L108-I136 HydrophobicContact CG-CG2 4.49Å; I127-I136 HydrophobicContact CD1-CD1 3.89Å; I127-I136 HydrophobicContact CD1-CG1 4.06Å; V133-I136 VanDerWaalsContact O-CB 3.28Å; V133-I136 WeakPolarHBondContact O-CB 3.31Å; V133-I136 PolarHBondContact O-N 3.15Å; Q134-I136 VanDerWaalsContact C-N 3.29Å; Q134-I136 PolarHBondContact O-N 2.81Å; I136-R138 PolarHBondContact O-N 2.93Å; I136-Y139 WeakPolarHBondContact O-CB 3.39Å; I136-Y139 PolarHBondContact O-N 2.91Å; I136-L140 HydrophobicContact CG2-CD1 4.21Å; I136-L140 WeakPolarHBondContact O-CG 3.49Å; I136-L140 PolarHBondContact O-N 3.41Å; I136-F184 HydrophobicContact CB-CE1 4.09Å; I136-F184 HydrophobicContact CB-CZ 4.4Å; I136-F184 HydrophobicContact CG2-CD1 4.13Å; I136-F184 HydrophobicContact CG2-CE1 3.54Å; I136-F184 HydrophobicContact CG2-CZ 4.19Å; I136-V197 HydrophobicContact CD1-CG2 3.83Å; I136-V197 HydrophobicContact CG1-CG2 4.28Å; I136-I234 HydrophobicContact CD1-CD1 3.68Å
137	E	90.4	Very high	85.6	Confident	1 Å²	1	38.5 Å²	38.5	1%	0.005	19%	0.185	C	C	.	.	H	α-helix	trans	-55.4	-53.6	174.6	-170.2	-177.1	-157.6	0	0	111.6	V133 Q134 Y139 L140 V141 H180 R181 L182 F184	V133-E137 PolarHBondContact O-N 3.15Å; Q134-E137 WeakPolarHBondContact O-CB 3.36Å; Q134-E137 PolarHBondContact O-N 3.01Å; E137-Y139 VanDerWaalsContact C-N 3.26Å; E137-Y139 PolarHBondContact O-N 3.32Å; E137-L140 PolarHBondContact O-N 3.46Å; E137-L140 VanDerWaalsContact O-N 3.15Å; E137-V141 HydrophobicContact CG-CG2 3.86Å; E137-V141 WeakPolarHBondContact O-CB 3.41Å; E137-V141 VanDerWaalsContact O-CG2 3.26Å; E137-V141 WeakPolarHBondContact O-CG2 3.43Å; E137-V141 PolarHBondContact O-N 2.91Å; E137-H180 WeakPolarHBondContact OE1-CA 3.41Å; E137-H180 WeakPolarHBondContact OE1-CB 3.3Å; E137-H180 IonicContact OE1-CG 3.17Å; E137-H180 IonicContact OE1-ND1 2.73Å; E137-H180 IonicContact OE2-CE1 3.94Å; E137-H180 IonicContact OE2-CG 2.88Å; E137-H180 IonicContact OE2-ND1 3.27Å; E137-H180 PolarHBondContact OE2-ND1 3.47Å; E137-R181 PolarHBondContact OE1-N 2.65Å; E137-L182 HydrophobicContact CG-CB 4.36Å; E137-L182 PolarHBondContact OE1-N 3.2Å; E137-F184 VanDerWaalsContact CA-CZ 3.48Å; E137-F184 HydrophobicContact CB-CE2 3.55Å; E137-F184 HydrophobicContact CB-CZ 3.81Å; E137-F184 HydrophobicContact CG-CE2 4.01Å; E137-F184 HydrophobicContact CG-CZ 4.31Å
138	R	84.7	Confident	85	Confident	90 Å²	90	41.6 Å²	41.6	34%	0.34	21%	0.205	S	C	.	.	H	α-helix	trans	-56.5	-44	179.4	-170.3	-179.1	-168	163.8	7.6	111.3	Q134 A135 I136 L140 V142 F172	Q134-R138 PolarHBondContact O-N 3.19Å; A135-R138 PolarHBondContact O-N 2.91Å; I136-R138 PolarHBondContact O-N 2.93Å; R138-L140 VanDerWaalsContact C-N 3.34Å; R138-L140 PolarHBondContact O-N 3.31Å; R138-V142 HydrophobicContact CG-CG2 4.34Å; R138-V142 WeakPolarHBondContact O-CB 3.49Å; R138-V142 VanDerWaalsContact O-CG2 3.23Å; R138-V142 WeakPolarHBondContact O-CG2 3.3Å; R138-V142 PolarHBondContact O-N 3.19Å; R138-V142 VanDerWaalsContact O-N 3.1Å; R138-F172 HydrophobicContact CG-CB 4.34Å; R138-F172 HydrophobicContact CG-CD1 4.28Å; R138-F172 HydrophobicContact CG-CD2 4.36Å; R138-F172 HydrophobicContact CG-CG 4.1Å
139	Y	87.5	Confident	84.3	Confident	81 Å²	81	40.5 Å²	40.5	32%	0.318	20%	0.195	S	C	.	.	H	α-helix	trans	-60.2	-41.9	179	-179.2	-86.4	0	0	0	112.6	W120 A135 I136 E137 R143	W120-Y139 AromaticContact CH2-CE1 3.67Å; W120-Y139 HydrophobicContact CH2-CE1 3.67Å; W120-Y139 HydrophobicContact CZ2-CE1 4.31Å; W120-Y139 AromaticContact CZ3-CE1 3.95Å; W120-Y139 HydrophobicContact CZ3-CE1 3.95Å; A135-Y139 VanDerWaalsContact O-CB 3.31Å; A135-Y139 WeakPolarHBondContact O-CB 3.39Å; A135-Y139 PolarHBondContact O-N 2.9Å; I136-Y139 WeakPolarHBondContact O-CB 3.39Å; I136-Y139 PolarHBondContact O-N 2.91Å; E137-Y139 VanDerWaalsContact C-N 3.26Å; E137-Y139 PolarHBondContact O-N 3.32Å; Y139-R143 VanDerWaalsContact CE2-NH2 3.33Å; Y139-R143 VanDerWaalsContact CG-NH1 3.34Å; Y139-R143 VanDerWaalsContact CZ-NH1 3.32Å; Y139-R143 PolarHBondContact O-NH1 3.39Å
140	L	88.3	Confident	83.1	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-76.5	-45.5	179.4	-73	178.6	0	0	0	112.4	L108 W120 I136 E137 R138 V142 R143 G144 Y145 L182 F184 Y236	L108-L140 HydrophobicContact CD1-CD1 4.3Å; L108-L140 HydrophobicContact CD1-CD2 3.94Å; L108-L140 HydrophobicContact CD1-CG 4.21Å; W120-L140 HydrophobicContact CD2-CD2 4.5Å; W120-L140 HydrophobicContact CE3-CD2 3.95Å; I136-L140 HydrophobicContact CG2-CD1 4.21Å; I136-L140 WeakPolarHBondContact O-CG 3.49Å; I136-L140 PolarHBondContact O-N 3.41Å; E137-L140 PolarHBondContact O-N 3.46Å; E137-L140 VanDerWaalsContact O-N 3.15Å; R138-L140 VanDerWaalsContact C-N 3.34Å; R138-L140 PolarHBondContact O-N 3.31Å; L140-V142 PolarHBondContact O-N 2.84Å; L140-R143 CarbonylContact O-C 3.59Å; L140-R143 PolarHBondContact O-N 3.37Å; L140-G144 PolarHBondContact O-N 2.95Å; L140-Y145 HydrophobicContact CD2-CD2 4.2Å; L140-Y145 HydrophobicContact CD2-CG 4.19Å; L140-Y145 WeakPolarHBondContact O-CB 3.35Å; L140-Y145 PolarHBondContact O-N 2.85Å; L140-L182 HydrophobicContact CB-CD1 3.91Å; L140-L182 HydrophobicContact CD1-CD1 4.09Å; L140-F184 HydrophobicContact CD1-CE1 3.8Å; L140-F184 HydrophobicContact CD1-CZ 4.12Å; L140-Y236 HydrophobicContact CD1-CD1 3.75Å; L140-Y236 HydrophobicContact CD1-CD2 4.37Å; L140-Y236 HydrophobicContact CD1-CE1 4.11Å; L140-Y236 HydrophobicContact CD1-CG 3.9Å
141	V	85.9	Confident	81.6	Confident	5 Å²	5	55.2 Å²	55.2	3%	0.03	27%	0.268	C	S	.	.	H	α-helix	trans	-64.6	-42.6	-176.5	172.9	0	0	0	0	111.5	E137 R143 G144 L168 F172 R181 L182	E137-V141 HydrophobicContact CG-CG2 3.86Å; E137-V141 WeakPolarHBondContact O-CB 3.41Å; E137-V141 VanDerWaalsContact O-CG2 3.26Å; E137-V141 WeakPolarHBondContact O-CG2 3.43Å; E137-V141 PolarHBondContact O-N 2.91Å; V141-R143 PolarHBondContact O-N 3.49Å; V141-G144 PolarHBondContact O-N 3.31Å; V141-L168 HydrophobicContact CG1-CD2 3.61Å; V141-F172 HydrophobicContact CB-CE2 4.16Å; V141-F172 HydrophobicContact CB-CZ 4.18Å; V141-F172 HydrophobicContact CG1-CE2 3.69Å; V141-F172 HydrophobicContact CG1-CZ 3.95Å; V141-R181 HydrophobicContact CG2-CB 4.25Å; V141-L182 HydrophobicContact CG2-CD1 4.2Å; V141-L182 HydrophobicContact CG2-CG 4.47Å
142	V	81.6	Confident	80	Confident	16 Å²	16	61.8 Å²	61.8	10%	0.097	30%	0.3	C	S	.	.	H	α-helix	trans	-63.1	-24.8	178.1	169.1	0	0	0	0	112.2	R138 L140 I164 D165 A169 F172	R138-V142 HydrophobicContact CG-CG2 4.34Å; R138-V142 WeakPolarHBondContact O-CB 3.49Å; R138-V142 VanDerWaalsContact O-CG2 3.23Å; R138-V142 WeakPolarHBondContact O-CG2 3.3Å; R138-V142 PolarHBondContact O-N 3.19Å; R138-V142 VanDerWaalsContact O-N 3.1Å; L140-V142 PolarHBondContact O-N 2.84Å; V142-I164 HydrophobicContact CG1-CB 4.5Å; V142-I164 HydrophobicContact CG1-CG2 3.56Å; V142-D165 PolarHBondContact O-N 3.4Å; V142-D165 VanDerWaalsContact O-N 3.14Å; V142-A169 HydrophobicContact CG1-CB 4.19Å; V142-A169 HydrophobicContact CG2-CB 4.05Å; V142-F172 HydrophobicContact CG2-CD2 4.45Å
143	R	84.2	Confident	78.5	Confident	100 Å²	100	65.6 Å²	65.6	38%	0.377	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	14.6	174.8	-68.4	-179.7	177.5	74.8	1.6	113.4	Y139 L140 V141 Y145	Y139-R143 VanDerWaalsContact CE2-NH2 3.33Å; Y139-R143 VanDerWaalsContact CG-NH1 3.34Å; Y139-R143 VanDerWaalsContact CZ-NH1 3.32Å; Y139-R143 PolarHBondContact O-NH1 3.39Å; L140-R143 CarbonylContact O-C 3.59Å; L140-R143 PolarHBondContact O-N 3.37Å; V141-R143 PolarHBondContact O-N 3.49Å; R143-Y145 VanDerWaalsContact C-N 3.34Å; R143-Y145 HydrophobicContact CB-CD2 3.7Å; R143-Y145 HydrophobicContact CB-CE2 3.77Å; R143-Y145 WeakPolarHBondContact O-CD2 3.35Å; R143-Y145 PolarHBondContact O-N 3.1Å
144	G	82	Confident	76.5	Confident	17 Å²	17	73.4 Å²	73.4	18%	0.175	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.9	3.8	174.9	0	0	0	0	0	115.9	L140 V141 G146 R147	L140-G144 PolarHBondContact O-N 2.95Å; V141-G144 PolarHBondContact O-N 3.31Å; G144-G146 PolarHBondContact O-N 3.42Å; G144-R147 PolarHBondContact O-N 3.11Å
145	Y	83.7	Confident	74.8	Confident	44 Å²	44	73.6 Å²	73.6	17%	0.173	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-7.5	179.6	-67.1	-87.3	0	0	0	113.9	K118 W120 L140 R143	K118-Y145 HydrophobicContact CB-CD1 3.65Å; K118-Y145 HydrophobicContact CB-CE1 3.97Å; W120-Y145 HydrophobicContact CE3-CD2 4.26Å; W120-Y145 HydrophobicContact CE3-CE1 4.18Å; W120-Y145 AromaticContact CE3-CE2 3.66Å; W120-Y145 HydrophobicContact CE3-CE2 3.66Å; W120-Y145 AromaticContact CE3-CZ 3.62Å; W120-Y145 HydrophobicContact CZ3-CD2 4.48Å; W120-Y145 AromaticContact CZ3-CE2 3.74Å; W120-Y145 HydrophobicContact CZ3-CE2 3.74Å; L140-Y145 HydrophobicContact CD2-CD2 4.2Å; L140-Y145 HydrophobicContact CD2-CG 4.19Å; L140-Y145 WeakPolarHBondContact O-CB 3.35Å; L140-Y145 PolarHBondContact O-N 2.85Å; R143-Y145 VanDerWaalsContact C-N 3.34Å; R143-Y145 HydrophobicContact CB-CD2 3.7Å; R143-Y145 HydrophobicContact CB-CE2 3.77Å; R143-Y145 WeakPolarHBondContact O-CD2 3.35Å; R143-Y145 PolarHBondContact O-N 3.1Å
146	G	79.7	Confident	73.2	Confident	7 Å²	7	75.9 Å²	75.9	7%	0.072	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	7.8	175.9	0	0	0	0	0	115.2	G144	G144-G146 PolarHBondContact O-N 3.42Å
147	R	79.1	Confident	71.6	Confident	150 Å²	150	82.1 Å²	82.1	57%	0.566	41%	0.406	S	S	*	.	P	Polyproline II helix	trans	-90	128.2	175.4	-65.3	-173	-175.3	-176.5	3.2	109.4	G144 D165	G144-R147 PolarHBondContact O-N 3.11Å; R147-D165 IonicContact NH2-OD2 2.87Å; R147-D165 PolarHBondContact NH2-OD2 3.11Å
148	V	76.5	Confident	69.5	Low	83 Å²	83	89.8 Å²	89.8	50%	0.503	45%	0.447	S	S	.	.	P	Polyproline II helix	trans	-81.9	125.1	174	-177.7	0	0	0	0	108.1	N116 V117 P238	N116-V148 HydrophobicContact CB-CG1 3.95Å; N116-V148 WeakPolarHBondContact ND2-CG1 3.37Å; N116-V148 CarbonylContact O-C 3.44Å; N116-V148 VanDerWaalsContact O-CA 3.3Å; N116-V148 WeakPolarHBondContact O-CA 3.46Å; V117-V148 HydrophobicContact CG1-CG2 4.35Å; V148-P238 HydrophobicContact CG2-CB 3.85Å; V148-P238 HydrophobicContact CG2-CG 4.08Å
149	R	71.8	Confident	67.5	Low	50 Å²	50	88.5 Å²	88.5	19%	0.189	46%	0.462	C	S	.	.	P	Polyproline II helix	trans	-74.8	136.7	173.2	-71.7	176	162.1	165.6	-7.9	109.3	N116 D156	N116-R149 PolarHBondContact O-N 3.16Å; R149-D156 IonicContact CZ-OD1 3.16Å; R149-D156 IonicContact NH1-OD1 3.82Å; R149-D156 PolarHBondContact NH1-OD1 3.39Å; R149-D156 IonicContact NH2-OD1 2.68Å
150	E	59.6	Low	65.7	Low	174 Å²	174	89.8 Å²	89.8	81%	0.813	48%	0.483	S	S	*	.	P	Polyproline II helix	trans	-81.4	150.2	165.7	-64.3	-177.5	170.4	0	0	108.5	D152	E150-D152 PolarHBondContact O-N 3.02Å
151	D	53.4	Low	63.6	Low	152 Å²	152	95.9 Å²	95.9	81%	0.813	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	10.1	-160.9	-68.3	-38.9	0	0	0	116.8
152	D	50.9	Low	61.9	Low	161 Å²	161	104.9 Å²	104.9	86%	0.861	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.6	5	-175.8	-69.6	-34.3	0	0	0	115.1	E150 D154	E150-D152 PolarHBondContact O-N 3.02Å; D152-D154 PolarHBondContact O-N 3.27Å
153	E	54.1	Low	60.5	Low	129 Å²	129	111.5 Å²	111.5	60%	0.603	59%	0.587	S	S	*	*			trans	-99.2	66.4	176.9	-71.5	-171.5	175.1	0	0	113.3	S155	E153-S155 VanDerWaalsContact C-N 3.31Å; E153-S155 PolarHBondContact O-N 3.26Å; E153-S155 VanDerWaalsContact O-N 3.09Å
154	D	47.9	Very low	59.3	Low	165 Å²	165	111.1 Å²	111.1	88%	0.882	59%	0.592	S	S	*	*			trans	-84.3	54.5	-177.8	-89.6	-22.7	0	0	0	114.3	D152	D152-D154 PolarHBondContact O-N 3.27Å
155	S	53.1	Low	58.4	Low	70 Å²	70	112 Å²	112	49%	0.49	59%	0.592	S	S	.	*			trans	-145.3	120	162.2	-173.6	0	0	0	0	111.8	E153 D157	E153-S155 VanDerWaalsContact C-N 3.31Å; E153-S155 PolarHBondContact O-N 3.26Å; E153-S155 VanDerWaalsContact O-N 3.09Å; S155-D157 PolarHBondContact O-N 3.37Å; S155-D157 WeakPolarHBondContact OG-CA 3.41Å; S155-D157 PolarHBondContact OG-N 3.22Å; S155-D157 PolarHBondContact OG-O 3.34Å
156	D	52.2	Low	57.1	Low	94 Å²	94	117.4 Å²	117.4	50%	0.503	62%	0.619	S	S	.	*	S	Bend	trans	-81.7	11.3	166.3	-92.9	-12.3	0	0	0	112.5	K121 R149	K121-D156 PolarHBondContact NZ-O 3.4Å; R149-D156 IonicContact CZ-OD1 3.16Å; R149-D156 IonicContact NH1-OD1 3.82Å; R149-D156 PolarHBondContact NH1-OD1 3.39Å; R149-D156 IonicContact NH2-OD1 2.68Å
157	D	57.7	Low	56.2	Low	136 Å²	136	120.6 Å²	120.6	73%	0.727	64%	0.64	S	S	*	*			trans	-125	94.8	-177.8	-148.5	24.1	0	0	0	110.5	S155	S155-D157 PolarHBondContact O-N 3.37Å; S155-D157 WeakPolarHBondContact OG-CA 3.41Å; S155-D157 PolarHBondContact OG-N 3.22Å; S155-D157 PolarHBondContact OG-O 3.34Å
158	D	46.8	Very low	55.5	Low	161 Å²	161	114.2 Å²	114.2	86%	0.861	62%	0.618	S	S	*	*			trans	-172.8	119.4	136.9	-118.6	-22.9	0	0	0	104.9
159	G	41.8	Very low	54.6	Low	63 Å²	63	111.5 Å²	111.5	65%	0.649	60%	0.604	S	S	*	*				98.6	112.5	86	0	0	0	0	0	106.5	D161	G159-D161 PolarHBondContact O-N 3.15Å
160	S	48.9	Very low	53.9	Low	109 Å²	109	111.1 Å²	111.1	76%	0.762	61%	0.611	S	S	*	*			trans	-24.7	123.7	-179.2	51.1	0	0	0	0	115.3
161	D	44	Very low	53.9	Low	128 Å²	128	108 Å²	108	68%	0.684	60%	0.597	S	S	*	*				-164.1	112.7	122	-92.6	-22.4	0	0	0	110	G159 E163	G159-D161 PolarHBondContact O-N 3.15Å; D161-E163 HydrophobicContact CB-CB 4.38Å; D161-E163 HydrophobicContact CB-CG 4.08Å; D161-E163 PolarHBondContact O-N 3.46Å
162	E	50.5	Low	54.2	Low	193 Å²	193	101.9 Å²	101.9	90%	0.902	56%	0.563	S	S	*	*			trans	-70.8	46.2	160.6	-62.5	-170	157.9	0	0	109.9	I164	E162-I164 VanDerWaalsContact C-N 3.32Å; E162-I164 PolarHBondContact O-N 3.28Å
163	E	52.3	Low	54.2	Low	155 Å²	155	98.9 Å²	98.9	72%	0.724	55%	0.546	S	S	*	.			trans	-71.4	95.8	173.8	-84.7	-167.7	169.7	0	0	108.2	D161 D165	D161-E163 HydrophobicContact CB-CB 4.38Å; D161-E163 HydrophobicContact CB-CG 4.08Å; D161-E163 PolarHBondContact O-N 3.46Å; E163-D165 PolarHBondContact O-N 3.48Å; E163-D165 VanDerWaalsContact O-N 3.17Å
164	I	59.2	Low	53.7	Low	93 Å²	93	97.6 Å²	97.6	48%	0.477	54%	0.544	S	S	.	.			trans	-54.3	117.5	165	-66.8	176.4	0	0	0	106.5	V142 E162 E166	V142-I164 HydrophobicContact CG1-CB 4.5Å; V142-I164 HydrophobicContact CG1-CG2 3.56Å; E162-I164 VanDerWaalsContact C-N 3.32Å; E162-I164 PolarHBondContact O-N 3.28Å; I164-E166 VanDerWaalsContact C-N 3.26Å; I164-E166 HydrophobicContact CG2-CG 4.45Å; I164-E166 PolarHBondContact O-N 2.96Å
165	D	62.8	Low	53.7	Low	35 Å²	35	93.3 Å²	93.3	19%	0.187	53%	0.526	C	S	.	.			trans	-72.8	85.8	175.9	-166.6	-35.7	0	0	0	108.6	V142 R147 E163 S167 L168 A169	V142-D165 PolarHBondContact O-N 3.4Å; V142-D165 VanDerWaalsContact O-N 3.14Å; R147-D165 IonicContact NH2-OD2 2.87Å; R147-D165 PolarHBondContact NH2-OD2 3.11Å; E163-D165 PolarHBondContact O-N 3.48Å; E163-D165 VanDerWaalsContact O-N 3.17Å; D165-S167 PolarHBondContact O-N 3.1Å; D165-S167 PolarHBondContact OD1-N 2.77Å; D165-S167 PolarHBondContact OD1-OG 2.99Å; D165-L168 HydrophobicContact CB-CB 4.09Å; D165-L168 HydrophobicContact CB-CD1 4.25Å; D165-L168 PolarHBondContact O-N 3.17Å; D165-L168 VanDerWaalsContact O-N 3.08Å; D165-L168 PolarHBondContact OD1-N 2.9Å; D165-L168 VanDerWaalsContact OD1-N 3.14Å; D165-L168 WeakPolarHBondContact OD2-CD1 3.35Å; D165-A169 PolarHBondContact O-N 3.48Å
166	E	57.9	Low	53.3	Low	157 Å²	157	92.5 Å²	92.5	73%	0.734	53%	0.529	S	S	*	.	H	α-helix	trans	-57.6	-30.6	-177	-69.8	-169.9	164.9	0	0	111.8	I164 A169 A170	I164-E166 VanDerWaalsContact C-N 3.26Å; I164-E166 HydrophobicContact CG2-CG 4.45Å; I164-E166 PolarHBondContact O-N 2.96Å; E166-A169 PolarHBondContact O-N 2.95Å; E166-A170 WeakPolarHBondContact O-CB 3.43Å; E166-A170 PolarHBondContact O-N 3.15Å
167	S	60.8	Low	53	Low	74 Å²	74	94.3 Å²	94.3	52%	0.517	54%	0.539	S	S	.	.	H	α-helix	trans	-66.8	-42.8	176.9	85.6	0	0	0	0	111.9	D165 A170 Q171	D165-S167 PolarHBondContact O-N 3.1Å; D165-S167 PolarHBondContact OD1-N 2.77Å; D165-S167 PolarHBondContact OD1-OG 2.99Å; S167-A170 PolarHBondContact O-N 3.13Å; S167-Q171 WeakPolarHBondContact O-CG 3.38Å; S167-Q171 PolarHBondContact O-N 3.17Å; S167-Q171 VanDerWaalsContact O-N 3.12Å
168	L	62.8	Low	53	Low	17 Å²	17	89.3 Å²	89.3	9%	0.089	51%	0.513	C	S	.	.	H	α-helix	trans	-70.7	-40.5	174.2	-101.1	114.8	0	0	0	111.5	V141 D165 A170 Q171 F172	V141-L168 HydrophobicContact CG1-CD2 3.61Å; D165-L168 HydrophobicContact CB-CB 4.09Å; D165-L168 HydrophobicContact CB-CD1 4.25Å; D165-L168 PolarHBondContact O-N 3.17Å; D165-L168 VanDerWaalsContact O-N 3.08Å; D165-L168 PolarHBondContact OD1-N 2.9Å; D165-L168 VanDerWaalsContact OD1-N 3.14Å; D165-L168 WeakPolarHBondContact OD2-CD1 3.35Å; L168-A170 PolarHBondContact O-N 2.81Å; L168-Q171 WeakPolarHBondContact O-CB 3.36Å; L168-Q171 PolarHBondContact O-N 3.2Å; L168-Q171 VanDerWaalsContact O-N 3.09Å; L168-F172 HydrophobicContact CD2-CE2 4.3Å; L168-F172 VanDerWaalsContact O-CD2 3.26Å; L168-F172 WeakPolarHBondContact O-CD2 3.42Å; L168-F172 PolarHBondContact O-N 3.13Å; L168-F172 VanDerWaalsContact O-N 3.11Å
169	A	58.6	Low	54.1	Low	25 Å²	25	89.7 Å²	89.7	21%	0.207	50%	0.502	C	S	.	.	H	α-helix	trans	-56.8	-39.8	175.1	0	0	0	0	0	111.7	V142 D165 E166 L173	V142-A169 HydrophobicContact CG1-CB 4.19Å; V142-A169 HydrophobicContact CG2-CB 4.05Å; D165-A169 PolarHBondContact O-N 3.48Å; E166-A169 PolarHBondContact O-N 2.95Å; A169-L173 PolarHBondContact O-N 2.98Å
170	A	56.4	Low	56	Low	42 Å²	42	89.6 Å²	89.6	35%	0.347	49%	0.485	S	S	.	.	H	α-helix	trans	-69.5	-34.4	174.6	0	0	0	0	0	113.8	E166 S167 L168 L173 N174	E166-A170 WeakPolarHBondContact O-CB 3.43Å; E166-A170 PolarHBondContact O-N 3.15Å; S167-A170 PolarHBondContact O-N 3.13Å; L168-A170 PolarHBondContact O-N 2.81Å; A170-L173 PolarHBondContact O-N 3.11Å; A170-L173 VanDerWaalsContact O-N 3.16Å; A170-N174 PolarHBondContact O-N 3.37Å; A170-N174 PolarHBondContact O-ND2 2.89Å
171	Q	59.5	Low	57.7	Low	110 Å²	110	89.1 Å²	89.1	51%	0.514	47%	0.466	S	S	.	.	H	α-helix	trans	-64.3	-39.5	173.9	-74.7	178.5	-0.5	0	0	112.2	S167 L168 L173 N174 S175	S167-Q171 WeakPolarHBondContact O-CG 3.38Å; S167-Q171 PolarHBondContact O-N 3.17Å; S167-Q171 VanDerWaalsContact O-N 3.12Å; L168-Q171 WeakPolarHBondContact O-CB 3.36Å; L168-Q171 PolarHBondContact O-N 3.2Å; L168-Q171 VanDerWaalsContact O-N 3.09Å; Q171-L173 PolarHBondContact O-N 3.47Å; Q171-N174 PolarHBondContact O-N 3.39Å; Q171-S175 PolarHBondContact O-N 3.26Å
172	F	60.4	Low	59.9	Low	23 Å²	23	83 Å²	83	10%	0.101	43%	0.434	C	S	.	.	H	α-helix	trans	-66.1	-20.4	172.9	-78.9	-80.5	0	0	0	113.8	R138 V141 V142 L168 V178	R138-F172 HydrophobicContact CG-CB 4.34Å; R138-F172 HydrophobicContact CG-CD1 4.28Å; R138-F172 HydrophobicContact CG-CD2 4.36Å; R138-F172 HydrophobicContact CG-CG 4.1Å; V141-F172 HydrophobicContact CB-CE2 4.16Å; V141-F172 HydrophobicContact CB-CZ 4.18Å; V141-F172 HydrophobicContact CG1-CE2 3.69Å; V141-F172 HydrophobicContact CG1-CZ 3.95Å; V142-F172 HydrophobicContact CG2-CD2 4.45Å; L168-F172 HydrophobicContact CD2-CE2 4.3Å; L168-F172 VanDerWaalsContact O-CD2 3.26Å; L168-F172 WeakPolarHBondContact O-CD2 3.42Å; L168-F172 PolarHBondContact O-N 3.13Å; L168-F172 VanDerWaalsContact O-N 3.11Å; F172-V178 HydrophobicContact CD1-CB 4Å; F172-V178 HydrophobicContact CD1-CG1 3.94Å; F172-V178 HydrophobicContact CD1-CG2 3.74Å; F172-V178 HydrophobicContact CE1-CB 3.91Å; F172-V178 HydrophobicContact CE1-CG1 3.51Å; F172-V178 HydrophobicContact CE1-CG2 4.17Å; F172-V178 HydrophobicContact CE2-CG1 4.41Å; F172-V178 HydrophobicContact CG-CG2 4.23Å; F172-V178 HydrophobicContact CZ-CG1 3.77Å
173	L	49.9	Very low	61.9	Low	98 Å²	98	74.9 Å²	74.9	51%	0.513	40%	0.396	S	S	.	.	H	α-helix	trans	-85	-27.7	174.9	-69.2	168.4	0	0	0	113.1	A169 A170 Q171	A169-L173 PolarHBondContact O-N 2.98Å; A170-L173 PolarHBondContact O-N 3.11Å; A170-L173 VanDerWaalsContact O-N 3.16Å; Q171-L173 PolarHBondContact O-N 3.47Å
174	N	45.2	Very low	64	Low	102 Å²	102	67.5 Å²	67.5	55%	0.545	36%	0.362	S	S	.	.	H	α-helix	trans	-102.4	-21.5	-168.6	-80.7	-38.1	0	0	0	115.3	A170 Q171 K427	A170-N174 PolarHBondContact O-N 3.37Å; A170-N174 PolarHBondContact O-ND2 2.89Å; Q171-N174 PolarHBondContact O-N 3.39Å; N174-K427 PolarHBondContact OD1-NZ 2.86Å
175	S	46	Very low	65.6	Low	74 Å²	74	64.1 Å²	64.1	52%	0.517	34%	0.343	S	S	.	.			trans	-120.1	120.2	-177.3	-84.5	0	0	0	0	112.4	Q171 N177	Q171-S175 PolarHBondContact O-N 3.26Å; S175-N177 PolarHBondContact O-N 3.39Å; S175-N177 VanDerWaalsContact O-N 3.14Å
176	G	45.3	Very low	66.9	Low	53 Å²	53	62.8 Å²	62.8	55%	0.546	34%	0.335	S	S	.	.	S	Bend	trans	-69.9	0.6	172.3	0	0	0	0	0	115.1
177	N	47.1	Very low	68.3	Low	132 Å²	132	57.1 Å²	57.1	71%	0.706	32%	0.319	S	S	*	.			trans	-130.3	71.3	174.7	-86.2	-23.9	0	0	0	109.1	S175	S175-N177 PolarHBondContact O-N 3.39Å; S175-N177 VanDerWaalsContact O-N 3.14Å
178	V	57.3	Low	69.5	Low	32 Å²	32	61.3 Å²	61.3	19%	0.194	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-79.4	124	164.4	-174.4	0	0	0	0	107.5	F172 H180	F172-V178 HydrophobicContact CD1-CB 4Å; F172-V178 HydrophobicContact CD1-CG1 3.94Å; F172-V178 HydrophobicContact CD1-CG2 3.74Å; F172-V178 HydrophobicContact CE1-CB 3.91Å; F172-V178 HydrophobicContact CE1-CG1 3.51Å; F172-V178 HydrophobicContact CE1-CG2 4.17Å; F172-V178 HydrophobicContact CE2-CG1 4.41Å; F172-V178 HydrophobicContact CG-CG2 4.23Å; F172-V178 HydrophobicContact CZ-CG1 3.77Å; V178-H180 PolarHBondContact O-N 3.29Å; V178-H180 VanDerWaalsContact O-N 3.16Å
179	R	69.6	Low	70.7	Confident	168 Å²	168	65.4 Å²	65.4	63%	0.634	35%	0.349	S	S	*	.	P	Polyproline II helix	trans	-59.6	117.4	171.4	-171.6	179.4	-174.6	-160.4	-2.1	107.4	R181 E241	R179-R181 PolarHBondContact O-N 3.45Å; R179-E241 IonicContact CZ-OE1 3.64Å; R179-E241 VanDerWaalsContact CZ-OE1 3.31Å; R179-E241 IonicContact NH1-OE1 3.57Å; R179-E241 PolarHBondContact NH1-OE1 3.21Å; R179-E241 IonicContact NH2-OE1 2.95Å; R179-E241 PolarHBondContact NH2-OE1 3.15Å
180	H	82.7	Confident	72.3	Confident	61 Å²	61	67.6 Å²	67.6	28%	0.282	36%	0.357	S	S	.	.	P	Polyproline II helix	trans	-58.6	138.1	177.4	-63.3	-69.2	0	0	0	109.8	E137 V178 Y193 V239	E137-H180 WeakPolarHBondContact OE1-CA 3.41Å; E137-H180 WeakPolarHBondContact OE1-CB 3.3Å; E137-H180 IonicContact OE1-CG 3.17Å; E137-H180 IonicContact OE1-ND1 2.73Å; E137-H180 IonicContact OE2-CE1 3.94Å; E137-H180 IonicContact OE2-CG 2.88Å; E137-H180 IonicContact OE2-ND1 3.27Å; E137-H180 PolarHBondContact OE2-ND1 3.47Å; V178-H180 PolarHBondContact O-N 3.29Å; V178-H180 VanDerWaalsContact O-N 3.16Å; H180-Y193 HydrophobicContact CB-CE1 3.98Å; H180-Y193 HydrophobicContact CB-CE2 4.03Å; H180-Y193 WeakPolarHBondContact CB-OH 3.45Å; H180-Y193 AromaticContact CD2-CD2 3.71Å; H180-Y193 AromaticContact CD2-CE2 3.6Å; H180-Y193 AromaticContact CD2-CZ 3.98Å; H180-Y193 AromaticContact CE1-CD1 3.59Å; H180-Y193 AromaticContact CE1-CD2 3.74Å; H180-Y193 AromaticContact CE1-CG 3.42Å; H180-Y193 VanDerWaalsContact CE1-CG 3.42Å; H180-Y193 AromaticContact CG-CD2 3.96Å; H180-Y193 AromaticContact CG-CE1 3.71Å; H180-Y193 AromaticContact CG-CE2 3.61Å; H180-Y193 AromaticContact CG-CZ 3.48Å; H180-Y193 VanDerWaalsContact CG-CZ 3.48Å; H180-Y193 AromaticContact ND1-CD1 3.44Å; H180-Y193 WeakPolarHBondContact ND1-CD1 3.28Å; H180-Y193 AromaticContact ND1-CD2 3.97Å; H180-Y193 AromaticContact ND1-CE1 3.44Å; H180-Y193 WeakPolarHBondContact ND1-CE1 3.26Å; H180-Y193 AromaticContact ND1-CE2 3.98Å; H180-Y193 AromaticContact ND1-CG 3.71Å; H180-Y193 AromaticContact ND1-CZ 3.72Å; H180-Y193 AromaticContact NE2-CD2 3.59Å; H180-Y193 AromaticContact NE2-CG 3.75Å; H180-V239 HydrophobicContact CB-CG2 4.21Å; H180-V239 WeakPolarHBondContact O-CG2 3.35Å
181	R	84.4	Confident	74	Confident	99 Å²	99	65.7 Å²	65.7	37%	0.374	34%	0.341	S	S	.	.			trans	-107.6	-27.3	179.8	-64.3	-169.7	179.6	-165.2	0.8	112.2	E137 V141 R179 P238 V239	E137-R181 PolarHBondContact OE1-N 2.65Å; V141-R181 HydrophobicContact CG2-CB 4.25Å; R179-R181 PolarHBondContact O-N 3.45Å; R181-P238 WeakPolarHBondContact O-CA 3.41Å; R181-V239 PolarHBondContact O-N 2.71Å
182	L	89.9	Confident	75.4	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	132.4	-178.5	-64.3	174.7	0	0	0	110.5	V117 E137 L140 V141 F184 Y193 Y236 K237	V117-L182 HydrophobicContact CG1-CD2 4.46Å; E137-L182 HydrophobicContact CG-CB 4.36Å; E137-L182 PolarHBondContact OE1-N 3.2Å; L140-L182 HydrophobicContact CB-CD1 3.91Å; L140-L182 HydrophobicContact CD1-CD1 4.09Å; V141-L182 HydrophobicContact CG2-CD1 4.2Å; V141-L182 HydrophobicContact CG2-CG 4.47Å; L182-F184 HydrophobicContact CB-CE2 3.94Å; L182-F184 HydrophobicContact CB-CZ 3.91Å; L182-F184 HydrophobicContact CD1-CZ 4.41Å; L182-F184 VanDerWaalsContact O-CE2 3.24Å; L182-F184 WeakPolarHBondContact O-CE2 3.29Å; L182-Y193 WeakPolarHBondContact O-CE1 3.19Å; L182-Y193 PolarHBondContact O-OH 3.3Å; L182-Y236 HydrophobicContact CD1-CD2 4.23Å; L182-Y236 HydrophobicContact CD2-CD2 4.19Å; L182-K237 CarbonylContact C-O 3.52Å; L182-K237 VanDerWaalsContact CA-O 3.32Å; L182-K237 WeakPolarHBondContact CA-O 3.39Å
183	Q	92.6	Very high	76.6	Confident	23 Å²	23	62.3 Å²	62.3	11%	0.107	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	150.9	166.9	-69.5	174.3	-13	0	0	110.4	Y185 L190 Y193 Y236 K237 V239	Q183-Y185 HydrophobicContact CB-CE2 3.83Å; Q183-Y185 PolarHBondContact OE1-OH 2.91Å; Q183-L190 HydrophobicContact CB-CD1 3.79Å; Q183-L190 HydrophobicContact CG-CD1 4.14Å; Q183-Y193 WeakPolarHBondContact CG-OH 3.48Å; Q183-Y236 VanDerWaalsContact O-CA 3.24Å; Q183-Y236 WeakPolarHBondContact O-CA 3.26Å; Q183-K237 PolarHBondContact N-O 2.79Å; Q183-K237 PolarHBondContact O-N 2.89Å; Q183-V239 HydrophobicContact CG-CB 4.46Å; Q183-V239 HydrophobicContact CG-CG2 3.66Å
184	F	94.7	Very high	78	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	143.1	-174.7	-64.9	-88.8	0	0	0	111.6	V133 I136 E137 L140 L182 L191 Y193 I234 W235	V133-F184 HydrophobicContact CG1-CB 3.77Å; V133-F184 HydrophobicContact CG1-CD2 3.75Å; V133-F184 HydrophobicContact CG1-CG 3.79Å; I136-F184 HydrophobicContact CB-CE1 4.09Å; I136-F184 HydrophobicContact CB-CZ 4.4Å; I136-F184 HydrophobicContact CG2-CD1 4.13Å; I136-F184 HydrophobicContact CG2-CE1 3.54Å; I136-F184 HydrophobicContact CG2-CZ 4.19Å; E137-F184 VanDerWaalsContact CA-CZ 3.48Å; E137-F184 HydrophobicContact CB-CE2 3.55Å; E137-F184 HydrophobicContact CB-CZ 3.81Å; E137-F184 HydrophobicContact CG-CE2 4.01Å; E137-F184 HydrophobicContact CG-CZ 4.31Å; L140-F184 HydrophobicContact CD1-CE1 3.8Å; L140-F184 HydrophobicContact CD1-CZ 4.12Å; L182-F184 HydrophobicContact CB-CE2 3.94Å; L182-F184 HydrophobicContact CB-CZ 3.91Å; L182-F184 HydrophobicContact CD1-CZ 4.41Å; L182-F184 VanDerWaalsContact O-CE2 3.24Å; L182-F184 WeakPolarHBondContact O-CE2 3.29Å; F184-L191 HydrophobicContact CB-CB 4.2Å; F184-L191 HydrophobicContact CB-CD1 4.12Å; F184-L191 HydrophobicContact CB-CG 4.41Å; F184-L191 PolarHBondContact O-N 2.73Å; F184-Y193 HydrophobicContact CD2-CE1 4.11Å; F184-Y193 HydrophobicContact CE2-CE1 4.22Å; F184-I234 HydrophobicContact CB-CG2 4.19Å; F184-I234 HydrophobicContact CD1-CG2 3.9Å; F184-W235 CarbonylContact C-O 3.57Å; F184-W235 VanDerWaalsContact CA-O 3.25Å; F184-W235 WeakPolarHBondContact CA-O 3.24Å
185	Y	93.1	Very high	79.9	Confident	22 Å²	22	58 Å²	58	9%	0.086	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	150.3	-178.5	-61.7	-105.6	0	0	0	112.1	Q183 H189 L190 I234 W235 K237	Q183-Y185 HydrophobicContact CB-CE2 3.83Å; Q183-Y185 PolarHBondContact OE1-OH 2.91Å; Y185-H189 WeakPolarHBondContact CA-O 3.25Å; Y185-L190 HydrophobicContact CD1-CB 4.07Å; Y185-L190 HydrophobicContact CD2-CD1 4.41Å; Y185-L190 HydrophobicContact CE1-CB 3.62Å; Y185-L190 HydrophobicContact CE1-CD1 3.96Å; Y185-L190 HydrophobicContact CE1-CG 4.37Å; Y185-L190 HydrophobicContact CE2-CD1 3.76Å; Y185-I234 CarbonylContact O-C 3.43Å; Y185-I234 WeakPolarHBondContact O-CA 3.22Å; Y185-W235 PolarHBondContact N-O 2.92Å; Y185-W235 PolarHBondContact O-N 3.36Å; Y185-K237 HydrophobicContact CE2-CD 3.98Å; Y185-K237 HydrophobicContact CE2-CG 3.97Å; Y185-K237 VanDerWaalsContact CZ-CE 3.48Å; Y185-K237 WeakPolarHBondContact OH-CE 3.34Å; Y185-K237 PolarHBondContact OH-NZ 3.47Å
186	I	91.8	Very high	81.9	Confident	6 Å²	6	54.5 Å²	54.5	3%	0.031	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	119.7	160.7	-68.5	168.2	0	0	0	107	E188 H189 L191 A200 V201 F204 I234	I186-E188 PolarHBondContact O-N 3.11Å; I186-H189 PolarHBondContact N-O 3.22Å; I186-H189 VanDerWaalsContact N-O 3.14Å; I186-H189 PolarHBondContact O-N 3.07Å; I186-H189 VanDerWaalsContact O-N 3.13Å; I186-L191 HydrophobicContact CB-CD2 4.46Å; I186-L191 HydrophobicContact CD1-CD1 4.04Å; I186-L191 HydrophobicContact CD1-CD2 4.23Å; I186-L191 HydrophobicContact CG1-CD1 4.04Å; I186-L191 HydrophobicContact CG1-CD2 4.32Å; I186-A200 HydrophobicContact CD1-CB 3.96Å; I186-V201 HydrophobicContact CD1-CG2 4.42Å; I186-F204 HydrophobicContact CB-CB 3.82Å; I186-F204 HydrophobicContact CD1-CB 4.49Å; I186-F204 VanDerWaalsContact CG2-C 3.49Å; I186-F204 HydrophobicContact CG2-CB 3.77Å; I186-F204 WeakPolarHBondContact CG2-O 3.35Å; I186-I234 HydrophobicContact CD1-CG1 4.19Å; I186-I234 HydrophobicContact CG1-CG1 4Å
187	G	86.8	Confident	83.9	Confident	38 Å²	38	52 Å²	52	39%	0.392	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.5	-127.1	-162.7	0	0	0	0	0	109.9
188	E	84.7	Confident	85.8	Confident	162 Å²	162	45.9 Å²	45.9	76%	0.757	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.2	-2.2	178.4	-59.2	-56.7	131.2	0	0	113.8	I186	I186-E188 PolarHBondContact O-N 3.11Å
189	H	89.8	Confident	87.1	Confident	104 Å²	104	45 Å²	45	48%	0.481	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	119.6	-172.5	-64.8	-75.1	0	0	0	112.1	Y185 I186 F204	Y185-H189 WeakPolarHBondContact CA-O 3.25Å; I186-H189 PolarHBondContact N-O 3.22Å; I186-H189 VanDerWaalsContact N-O 3.14Å; I186-H189 PolarHBondContact O-N 3.07Å; I186-H189 VanDerWaalsContact O-N 3.13Å; H189-F204 HydrophobicContact CB-CB 4.48Å; H189-F204 HydrophobicContact CB-CD1 3.68Å; H189-F204 HydrophobicContact CB-CE1 3.98Å; H189-F204 HydrophobicContact CB-CG 3.98Å; H189-F204 AromaticContact CD2-CD1 3.67Å; H189-F204 AromaticContact CG-CD1 3.54Å; H189-F204 AromaticContact CG-CE1 3.87Å
190	L	92.1	Very high	88	Confident	71 Å²	71	37 Å²	37	37%	0.372	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	128.3	171.8	178.1	68.2	0	0	0	110.3	Q183 Y185	Q183-L190 HydrophobicContact CB-CD1 3.79Å; Q183-L190 HydrophobicContact CG-CD1 4.14Å; Y185-L190 HydrophobicContact CD1-CB 4.07Å; Y185-L190 HydrophobicContact CD2-CD1 4.41Å; Y185-L190 HydrophobicContact CE1-CB 3.62Å; Y185-L190 HydrophobicContact CE1-CD1 3.96Å; Y185-L190 HydrophobicContact CE1-CG 4.37Å; Y185-L190 HydrophobicContact CE2-CD1 3.76Å
191	L	90.9	Very high	88.2	Confident	1 Å²	1	34.1 Å²	34.1	1%	0.005	17%	0.171	C	C	.	.	P	Polyproline II helix	trans	-91	125.6	179.6	-55.5	-175.3	0	0	0	111.3	V133 F184 I186 A200 F204 I234	V133-L191 HydrophobicContact CG1-CB 4.11Å; V133-L191 HydrophobicContact CG1-CD1 4.49Å; V133-L191 HydrophobicContact CG2-CB 4.12Å; V133-L191 HydrophobicContact CG2-CD1 4.12Å; F184-L191 HydrophobicContact CB-CB 4.2Å; F184-L191 HydrophobicContact CB-CD1 4.12Å; F184-L191 HydrophobicContact CB-CG 4.41Å; F184-L191 PolarHBondContact O-N 2.73Å; I186-L191 HydrophobicContact CB-CD2 4.46Å; I186-L191 HydrophobicContact CD1-CD1 4.04Å; I186-L191 HydrophobicContact CD1-CD2 4.23Å; I186-L191 HydrophobicContact CG1-CD1 4.04Å; I186-L191 HydrophobicContact CG1-CD2 4.32Å; L191-A200 HydrophobicContact CD1-CB 3.86Å; L191-A200 HydrophobicContact CD2-CB 3.84Å; L191-A200 HydrophobicContact CG-CB 4.42Å; L191-F204 HydrophobicContact CD2-CD2 3.53Å; L191-F204 HydrophobicContact CD2-CE2 3.9Å; L191-F204 HydrophobicContact CD2-CG 4.46Å; L191-I234 HydrophobicContact CD1-CG2 4.21Å
192	P	89.4	Confident	88.2	Confident	31 Å²	31	33.8 Å²	33.8	20%	0.201	17%	0.17	C	C	.	.	P	Polyproline II helix	trans	-61.4	137.1	170.2	-24.2	35.2	0	0	0	111.9	N194 M195 D248	P192-N194 VanDerWaalsContact CB-OD1 3.32Å; P192-N194 WeakPolarHBondContact CB-OD1 3.18Å; P192-N194 PolarHBondContact O-N 3.09Å; P192-M195 HydrophobicContact CB-CB 4.16Å; P192-M195 HydrophobicContact CG-CE 4.14Å; P192-M195 VanDerWaalsContact O-CB 3.24Å; P192-M195 WeakPolarHBondContact O-CB 3.38Å; P192-M195 PolarHBondContact O-N 3.36Å; P192-D248 WeakPolarHBondContact CB-OD1 3.45Å
193	Y	85.4	Confident	87.9	Confident	31 Å²	31	38.7 Å²	38.7	12%	0.122	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-29.4	-178.6	-65.7	-81.4	0	0	0	113.4	Q134 H180 L182 Q183 F184 M195	Q134-Y193 WeakPolarHBondContact CB-O 3.08Å; Q134-Y193 PolarHBondContact N-O 2.76Å; H180-Y193 HydrophobicContact CB-CE1 3.98Å; H180-Y193 HydrophobicContact CB-CE2 4.03Å; H180-Y193 WeakPolarHBondContact CB-OH 3.45Å; H180-Y193 AromaticContact CD2-CD2 3.71Å; H180-Y193 AromaticContact CD2-CE2 3.6Å; H180-Y193 AromaticContact CD2-CZ 3.98Å; H180-Y193 AromaticContact CE1-CD1 3.59Å; H180-Y193 AromaticContact CE1-CD2 3.74Å; H180-Y193 AromaticContact CE1-CG 3.42Å; H180-Y193 VanDerWaalsContact CE1-CG 3.42Å; H180-Y193 AromaticContact CG-CD2 3.96Å; H180-Y193 AromaticContact CG-CE1 3.71Å; H180-Y193 AromaticContact CG-CE2 3.61Å; H180-Y193 AromaticContact CG-CZ 3.48Å; H180-Y193 VanDerWaalsContact CG-CZ 3.48Å; H180-Y193 AromaticContact ND1-CD1 3.44Å; H180-Y193 WeakPolarHBondContact ND1-CD1 3.28Å; H180-Y193 AromaticContact ND1-CD2 3.97Å; H180-Y193 AromaticContact ND1-CE1 3.44Å; H180-Y193 WeakPolarHBondContact ND1-CE1 3.26Å; H180-Y193 AromaticContact ND1-CE2 3.98Å; H180-Y193 AromaticContact ND1-CG 3.71Å; H180-Y193 AromaticContact ND1-CZ 3.72Å; H180-Y193 AromaticContact NE2-CD2 3.59Å; H180-Y193 AromaticContact NE2-CG 3.75Å; L182-Y193 WeakPolarHBondContact O-CE1 3.19Å; L182-Y193 PolarHBondContact O-OH 3.3Å; Q183-Y193 WeakPolarHBondContact CG-OH 3.48Å; F184-Y193 HydrophobicContact CD2-CE1 4.11Å; F184-Y193 HydrophobicContact CE2-CE1 4.22Å; Y193-M195 VanDerWaalsContact C-N 3.34Å
194	N	79.4	Confident	87.7	Confident	86 Å²	86	40.3 Å²	40.3	46%	0.46	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	2	178.4	67.1	-12.2	0	0	0	113.7	L132 P192 R396	L132-N194 WeakPolarHBondContact CD2-O 3.4Å; P192-N194 VanDerWaalsContact CB-OD1 3.32Å; P192-N194 WeakPolarHBondContact CB-OD1 3.18Å; P192-N194 PolarHBondContact O-N 3.09Å; N194-R396 PolarHBondContact O-NH2 3.29Å
195	M	85.7	Confident	86.9	Confident	24 Å²	24	41.8 Å²	41.8	12%	0.118	21%	0.21	C	C	.	.	S	Bend	trans	-78.7	144.8	174.5	-173.3	178.3	-86	0	0	110.6	L132 V133 P192 Y193 Q199 A200 F204	L132-M195 CarbonylContact C-O 3.47Å; L132-M195 WeakPolarHBondContact CA-O 3.45Å; V133-M195 HydrophobicContact CG2-CB 4.34Å; V133-M195 PolarHBondContact N-O 2.84Å; P192-M195 HydrophobicContact CB-CB 4.16Å; P192-M195 HydrophobicContact CG-CE 4.14Å; P192-M195 VanDerWaalsContact O-CB 3.24Å; P192-M195 WeakPolarHBondContact O-CB 3.38Å; P192-M195 PolarHBondContact O-N 3.36Å; Y193-M195 VanDerWaalsContact C-N 3.34Å; M195-Q199 HydrophobicContact CG-CB 3.6Å; M195-Q199 HydrophobicContact SD-CB 4.1Å; M195-A200 HydrophobicContact CG-CB 4.46Å; M195-A200 HydrophobicContact SD-CB 3.83Å; M195-F204 HydrophobicContact CE-CE2 4.05Å; M195-F204 HydrophobicContact SD-CE2 4Å
196	T	86.7	Confident	85.6	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.222	C	C	.	.	B	Isolated β-bridge	trans	-70.6	151.1	168.6	57.3	0	0	0	0	111.1	P129 L130 A131 Y198 Q199 A200	P129-T196 WeakPolarHBondContact O-CB 3.34Å; L130-T196 HydrophobicContact CD2-CG2 4.39Å; A131-T196 CarbonylContact O-C 3.31Å; A131-T196 VanDerWaalsContact O-CA 3.29Å; A131-T196 WeakPolarHBondContact O-CA 3.17Å; T196-Y198 PolarHBondContact O-N 3.2Å; T196-Q199 PolarHBondContact O-N 2.95Å; T196-Q199 VanDerWaalsContact OG1-CB 3.28Å; T196-Q199 WeakPolarHBondContact OG1-CB 3.34Å; T196-Q199 VanDerWaalsContact OG1-CD 3.27Å; T196-Q199 WeakPolarHBondContact OG1-CG 3.45Å; T196-Q199 PolarHBondContact OG1-N 3.18Å; T196-Q199 PolarHBondContact OG1-OE1 3.22Å; T196-A200 PolarHBondContact O-N 2.82Å
197	V	87.8	Confident	84	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-60	-36.1	171.3	-177.3	0	0	0	0	111	L104 I127 A131 I136 Q199 A200 V201 I234	L104-V197 HydrophobicContact CD1-CB 4.36Å; L104-V197 HydrophobicContact CD1-CG1 3.9Å; I127-V197 HydrophobicContact CG2-CB 4.49Å; I127-V197 HydrophobicContact CG2-CG2 3.94Å; A131-V197 WeakPolarHBondContact O-CG2 3.34Å; A131-V197 PolarHBondContact O-N 2.86Å; I136-V197 HydrophobicContact CD1-CG2 3.83Å; I136-V197 HydrophobicContact CG1-CG2 4.28Å; V197-Q199 PolarHBondContact O-N 3.37Å; V197-A200 PolarHBondContact O-N 3.3Å; V197-V201 HydrophobicContact CG1-CG2 4.15Å; V197-V201 WeakPolarHBondContact O-CB 3.5Å; V197-V201 VanDerWaalsContact O-CG2 3.32Å; V197-V201 WeakPolarHBondContact O-CG2 3.34Å; V197-V201 PolarHBondContact O-N 2.98Å; V197-I234 HydrophobicContact CG1-CD1 4.31Å
198	Y	86.8	Confident	82.1	Confident	5 Å²	5	51.7 Å²	51.7	2%	0.02	26%	0.262	C	S	.	.	H	α-helix	trans	-58.2	-47.6	173.3	175.4	-108.2	0	0	0	113.1	F99 P129 T196 R202 P221 L222 G223 W228	F99-Y198 AromaticContact CE1-CD1 3.97Å; F99-Y198 HydrophobicContact CE1-CD1 3.97Å; F99-Y198 AromaticContact CE1-CD2 3.62Å; F99-Y198 HydrophobicContact CE1-CD2 3.62Å; F99-Y198 HydrophobicContact CE1-CE1 4.13Å; F99-Y198 AromaticContact CE1-CE2 3.77Å; F99-Y198 HydrophobicContact CE1-CE2 3.77Å; F99-Y198 AromaticContact CE1-CG 3.71Å; F99-Y198 HydrophobicContact CE1-CG 3.71Å; F99-Y198 HydrophobicContact CZ-CD1 4.16Å; F99-Y198 HydrophobicContact CZ-CD2 4.28Å; F99-Y198 AromaticContact CZ-CE1 3.91Å; F99-Y198 HydrophobicContact CZ-CE1 3.91Å; F99-Y198 HydrophobicContact CZ-CE2 4.02Å; F99-Y198 HydrophobicContact CZ-CG 4.34Å; F99-Y198 AromaticContact CZ-CZ 3.84Å; P129-Y198 WeakPolarHBondContact O-CB 3.24Å; P129-Y198 PolarHBondContact O-N 3.16Å; T196-Y198 PolarHBondContact O-N 3.2Å; Y198-R202 WeakPolarHBondContact O-CB 3.48Å; Y198-R202 PolarHBondContact O-N 3.28Å; Y198-R202 WeakPolarHBondContact OH-CD 3.33Å; Y198-R202 PolarHBondContact OH-NH1 2.84Å; Y198-P221 PolarHBondContact OH-O 3.03Å; Y198-L222 VanDerWaalsContact OH-C 3.25Å; Y198-L222 PolarHBondContact OH-O 3.26Å; Y198-G223 PolarHBondContact OH-N 2.87Å; Y198-W228 HydrophobicContact CD2-CH2 4.01Å; Y198-W228 AromaticContact CD2-CZ2 3.99Å; Y198-W228 HydrophobicContact CD2-CZ2 3.99Å; Y198-W228 HydrophobicContact CE2-CH2 4.2Å; Y198-W228 AromaticContact CE2-CZ2 3.71Å; Y198-W228 HydrophobicContact CE2-CZ2 3.71Å
199	Q	85.1	Confident	80.2	Confident	14 Å²	14	52.2 Å²	52.2	7%	0.065	26%	0.264	C	S	.	.	H	α-helix	trans	-61.8	-47.1	176	-77.6	163.2	-53.8	0	0	111.3	M195 T196 V197 V201 R202 Q203 T362 N364	M195-Q199 HydrophobicContact CG-CB 3.6Å; M195-Q199 HydrophobicContact SD-CB 4.1Å; T196-Q199 PolarHBondContact O-N 2.95Å; T196-Q199 VanDerWaalsContact OG1-CB 3.28Å; T196-Q199 WeakPolarHBondContact OG1-CB 3.34Å; T196-Q199 VanDerWaalsContact OG1-CD 3.27Å; T196-Q199 WeakPolarHBondContact OG1-CG 3.45Å; T196-Q199 PolarHBondContact OG1-N 3.18Å; T196-Q199 PolarHBondContact OG1-OE1 3.22Å; V197-Q199 PolarHBondContact O-N 3.37Å; Q199-V201 VanDerWaalsContact C-N 3.35Å; Q199-V201 PolarHBondContact O-N 3.34Å; Q199-R202 PolarHBondContact O-N 2.94Å; Q199-Q203 VanDerWaalsContact O-CB 3.26Å; Q199-Q203 WeakPolarHBondContact O-CB 3.48Å; Q199-Q203 VanDerWaalsContact O-CG 3.28Å; Q199-Q203 WeakPolarHBondContact O-CG 3.47Å; Q199-Q203 PolarHBondContact O-N 3.05Å; Q199-T362 PolarHBondContact NE2-O 3.44Å; Q199-T362 PolarHBondContact OE1-O 3.23Å; Q199-N364 PolarHBondContact NE2-ND2 2.72Å; Q199-N364 PolarHBondContact NE2-OD1 3.41Å
200	A	88	Confident	78.3	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-58.3	-48	-179.7	0	0	0	0	0	111.3	V133 I186 L191 M195 T196 V197 F204	V133-A200 HydrophobicContact CG2-CB 4.49Å; I186-A200 HydrophobicContact CD1-CB 3.96Å; L191-A200 HydrophobicContact CD1-CB 3.86Å; L191-A200 HydrophobicContact CD2-CB 3.84Å; L191-A200 HydrophobicContact CG-CB 4.42Å; M195-A200 HydrophobicContact CG-CB 4.46Å; M195-A200 HydrophobicContact SD-CB 3.83Å; T196-A200 PolarHBondContact O-N 2.82Å; V197-A200 PolarHBondContact O-N 3.3Å; A200-F204 WeakPolarHBondContact O-CB 3.36Å; A200-F204 WeakPolarHBondContact O-CD2 3.48Å; A200-F204 PolarHBondContact O-N 3.27Å
201	V	88.3	Confident	76.2	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-65.8	-47.5	178.6	169.6	0	0	0	0	111.3	L104 I186 V197 Q199 Q203 S205 I227 H232	L104-V201 HydrophobicContact CD1-CB 4.44Å; L104-V201 HydrophobicContact CD1-CG2 4.27Å; I186-V201 HydrophobicContact CD1-CG2 4.42Å; V197-V201 HydrophobicContact CG1-CG2 4.15Å; V197-V201 WeakPolarHBondContact O-CB 3.5Å; V197-V201 VanDerWaalsContact O-CG2 3.32Å; V197-V201 WeakPolarHBondContact O-CG2 3.34Å; V197-V201 PolarHBondContact O-N 2.98Å; Q199-V201 VanDerWaalsContact C-N 3.35Å; Q199-V201 PolarHBondContact O-N 3.34Å; V201-Q203 VanDerWaalsContact C-N 3.31Å; V201-Q203 PolarHBondContact O-N 3.21Å; V201-S205 WeakPolarHBondContact O-CB 3.24Å; V201-S205 PolarHBondContact O-N 2.81Å; V201-I227 HydrophobicContact CG1-CG2 3.9Å; V201-H232 HydrophobicContact CG1-CB 4.37Å; V201-H232 VanDerWaalsContact CG1-CE1 3.45Å; V201-H232 WeakPolarHBondContact CG1-CE1 3.32Å; V201-H232 WeakPolarHBondContact CG1-NE2 3.4Å; V201-H232 HydrophobicContact CG2-CB 4Å
202	R	83.8	Confident	74	Confident	92 Å²	92	65.7 Å²	65.7	35%	0.347	32%	0.318	S	S	.	.	H	α-helix	trans	-61.9	-38.6	-179.4	-178.7	179.5	174.9	171.8	-0.3	112.2	Y198 Q199 E218 I227	Y198-R202 WeakPolarHBondContact O-CB 3.48Å; Y198-R202 PolarHBondContact O-N 3.28Å; Y198-R202 WeakPolarHBondContact OH-CD 3.33Å; Y198-R202 PolarHBondContact OH-NH1 2.84Å; Q199-R202 PolarHBondContact O-N 2.94Å; R202-E218 PolarHBondContact NH2-O 2.92Å; R202-I227 HydrophobicContact CB-CD1 4.16Å; R202-I227 HydrophobicContact CG-CD1 4.13Å
203	Q	83.9	Confident	71.8	Confident	102 Å²	102	72.3 Å²	72.3	48%	0.477	35%	0.346	S	S	.	.	H	α-helix	trans	-83.1	-39	-176.1	-71	178.1	-5	0	0	113.2	Q199 V201	Q199-Q203 VanDerWaalsContact O-CB 3.26Å; Q199-Q203 WeakPolarHBondContact O-CB 3.48Å; Q199-Q203 VanDerWaalsContact O-CG 3.28Å; Q199-Q203 WeakPolarHBondContact O-CG 3.47Å; Q199-Q203 PolarHBondContact O-N 3.05Å; V201-Q203 VanDerWaalsContact C-N 3.31Å; V201-Q203 PolarHBondContact O-N 3.21Å
204	F	86.8	Confident	69.8	Low	57 Å²	57	73.6 Å²	73.6	25%	0.25	36%	0.36	C	S	.	.	H	α-helix	trans	-118.2	-19.2	-166.5	-54.3	-61.6	0	0	0	114.5	I186 H189 L191 M195 A200	I186-F204 HydrophobicContact CB-CB 3.82Å; I186-F204 HydrophobicContact CD1-CB 4.49Å; I186-F204 VanDerWaalsContact CG2-C 3.49Å; I186-F204 HydrophobicContact CG2-CB 3.77Å; I186-F204 WeakPolarHBondContact CG2-O 3.35Å; H189-F204 HydrophobicContact CB-CB 4.48Å; H189-F204 HydrophobicContact CB-CD1 3.68Å; H189-F204 HydrophobicContact CB-CE1 3.98Å; H189-F204 HydrophobicContact CB-CG 3.98Å; H189-F204 AromaticContact CD2-CD1 3.67Å; H189-F204 AromaticContact CG-CD1 3.54Å; H189-F204 AromaticContact CG-CE1 3.87Å; L191-F204 HydrophobicContact CD2-CD2 3.53Å; L191-F204 HydrophobicContact CD2-CE2 3.9Å; L191-F204 HydrophobicContact CD2-CG 4.46Å; M195-F204 HydrophobicContact CE-CE2 4.05Å; M195-F204 HydrophobicContact SD-CE2 4Å; A200-F204 WeakPolarHBondContact O-CB 3.36Å; A200-F204 WeakPolarHBondContact O-CD2 3.48Å; A200-F204 PolarHBondContact O-N 3.27Å
205	S	79.4	Confident	68.2	Low	32 Å²	32	76.1 Å²	76.1	22%	0.224	38%	0.378	C	S	.	.	S	Bend	trans	-87.5	-14.1	-176.6	-169.8	0	0	0	0	114.1	V201 H232	V201-S205 WeakPolarHBondContact O-CB 3.24Å; V201-S205 PolarHBondContact O-N 2.81Å; S205-H232 WeakPolarHBondContact CB-ND1 3.21Å; S205-H232 PolarHBondContact OG-ND1 2.89Å
206	V	66.2	Low	66.2	Low	55 Å²	55	81.1 Å²	81.1	33%	0.333	41%	0.406	S	S	.	.	S	Bend	trans	-94.9	110.1	179.5	-173.8	0	0	0	0	107.5	I227	V206-I227 HydrophobicContact CG2-CG1 4.38Å
207	Q	57.8	Low	64.5	Low	151 Å²	151	84.3 Å²	84.3	71%	0.706	42%	0.423	S	S	*	.			trans	-71.7	143.8	178.4	-72.4	176.1	-24.2	0	0	110.8	E209 D210	Q207-E209 PolarHBondContact O-N 2.82Å; Q207-D210 PolarHBondContact O-N 2.61Å
208	A	45.7	Very low	62.6	Low	67 Å²	67	92.5 Å²	92.5	55%	0.554	46%	0.461	S	S	*	.	G	3₁₀ helix	trans	-57.8	-12.8	-178.7	0	0	0	0	0	115.3	D210 E211	A208-D210 VanDerWaalsContact C-N 3.35Å; A208-E211 WeakPolarHBondContact O-CB 3.46Å; A208-E211 WeakPolarHBondContact O-CG 3.43Å; A208-E211 PolarHBondContact O-N 3.08Å
209	E	45.1	Very low	60.8	Low	174 Å²	174	96.7 Å²	96.7	81%	0.813	49%	0.491	S	S	*	.	G	3₁₀ helix	trans	-74.8	-21.5	178.8	-67.3	-170.8	157.1	0	0	113.5	Q207 E211	Q207-E209 PolarHBondContact O-N 2.82Å; E209-E211 VanDerWaalsContact C-N 3.29Å; E209-E211 PolarHBondContact O-N 3.49Å
210	D	49.2	Very low	59.7	Low	87 Å²	87	98.7 Å²	98.7	47%	0.465	50%	0.502	S	S	.	.	G	3₁₀ helix	trans	-85	7.4	174.6	-80.7	-12.9	0	0	0	112.6	Q207 A208 R224 K230	Q207-D210 PolarHBondContact O-N 2.61Å; A208-D210 VanDerWaalsContact C-N 3.35Å; D210-R224 PolarHBondContact O-NH1 3.08Å; D210-K230 IonicContact OD2-NZ 2.64Å; D210-K230 PolarHBondContact OD2-NZ 3.35Å
211	E	48.8	Very low	58.2	Low	133 Å²	133	99 Å²	99	62%	0.621	50%	0.504	S	S	*	.	G	3₁₀ helix	trans	-80.2	-11.5	-176	-73.4	-177.8	170.9	0	0	114.8	A208 E209 E213	A208-E211 WeakPolarHBondContact O-CB 3.46Å; A208-E211 WeakPolarHBondContact O-CG 3.43Å; A208-E211 PolarHBondContact O-N 3.08Å; E209-E211 VanDerWaalsContact C-N 3.29Å; E209-E211 PolarHBondContact O-N 3.49Å; E211-E213 PolarHBondContact O-N 2.76Å
212	R	44.1	Very low	57	Low	239 Å²	239	99.8 Å²	99.8	90%	0.902	51%	0.508	S	S	*	.	G	3₁₀ helix	trans	-83	-6.2	-169	-69.1	-172.5	-179.1	-178.4	2.9	116.2
213	E	43.2	Very low	55.8	Low	169 Å²	169	95.8 Å²	95.8	79%	0.79	50%	0.495	S	S	*	.	S	Bend	trans	-123.5	123.1	176.8	-68.7	-176.1	167.9	0	0	110.2	E211	E211-E213 PolarHBondContact O-N 2.76Å
214	S	44.8	Very low	54.9	Low	59 Å²	59	94.8 Å²	94.8	41%	0.413	49%	0.487	S	S	.	.			trans	79	99.3	177.8	-178	0	0	0	0	116.8	D216 D217	S214-D216 VanDerWaalsContact C-N 3.29Å; S214-D217 PolarHBondContact OG-OD2 2.64Å
215	T	44.3	Very low	53.7	Low	138 Å²	138	95.8 Å²	95.8	85%	0.847	51%	0.506	S	S	*	.	S	Bend	trans	-79.6	-5.1	167.5	49.9	0	0	0	0	113.6
216	D	45.6	Very low	53.2	Low	130 Å²	130	95.5 Å²	95.5	70%	0.695	51%	0.508	S	S	*	.	S	Bend	trans	-88.6	-15.3	-173.3	-73.5	-15.7	0	0	0	113.4	S214 S219	S214-D216 VanDerWaalsContact C-N 3.29Å; D216-S219 PolarHBondContact O-OG 3.29Å; D216-S219 VanDerWaalsContact O-OG 3.07Å
217	D	49.1	Very low	53.9	Low	67 Å²	67	93.2 Å²	93.2	36%	0.358	49%	0.494	S	S	.	.	G	3₁₀ helix	trans	-91.8	-6.3	-169	-79.6	-50.2	0	0	0	116.4	S214 S219 N220 R224	S214-D217 PolarHBondContact OG-OD2 2.64Å; D217-S219 PolarHBondContact O-N 2.96Å; D217-N220 PolarHBondContact O-N 3.23Å; D217-R224 HydrophobicContact CB-CG 4.43Å
218	E	48.8	Very low	55.1	Low	171 Å²	171	87.9 Å²	87.9	80%	0.799	47%	0.467	S	S	*	.	G	3₁₀ helix	trans	-64.3	-25	174.9	-95.9	-157.4	142.9	0	0	112.8	R202 N220	R202-E218 PolarHBondContact NH2-O 2.92Å; E218-N220 VanDerWaalsContact C-N 3.32Å
219	S	49.3	Very low	56.8	Low	93 Å²	93	90 Å²	90	65%	0.65	47%	0.474	S	S	*	.	G	3₁₀ helix	trans	-77.2	-13.8	-179.8	68.2	0	0	0	0	113.8	D216 D217 P221	D216-S219 PolarHBondContact O-OG 3.29Å; D216-S219 VanDerWaalsContact O-OG 3.07Å; D217-S219 PolarHBondContact O-N 2.96Å; S219-P221 WeakPolarHBondContact O-CD 3.48Å
220	N	61.7	Low	58.7	Low	56 Å²	56	86.8 Å²	86.8	30%	0.299	46%	0.457	S	S	.	.			trans	-74.3	119.1	-176.4	-173.7	-10.4	0	0	0	111.5	D217 E218 L222 G223	D217-N220 PolarHBondContact O-N 3.23Å; E218-N220 VanDerWaalsContact C-N 3.32Å; N220-L222 PolarHBondContact O-N 2.79Å; N220-L222 PolarHBondContact OD1-N 3.05Å; N220-L222 VanDerWaalsContact OD1-N 3.07Å; N220-G223 PolarHBondContact O-N 2.91Å
221	P	55.9	Low	60.6	Low	6 Å²	6	85.5 Å²	85.5	4%	0.039	45%	0.452	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-21.4	-178.6	25.2	-34.6	0	0	0	114.7	H80 F82 Y198 S219 G223 L358	H80-P221 HydrophobicContact CB-CB 3.51Å; H80-P221 HydrophobicContact CB-CG 4.12Å; F82-P221 HydrophobicContact CD2-CG 4.3Å; F82-P221 HydrophobicContact CE2-CG 3.84Å; F82-P221 HydrophobicContact CZ-CG 4.5Å; Y198-P221 PolarHBondContact OH-O 3.03Å; S219-P221 WeakPolarHBondContact O-CD 3.48Å; P221-G223 VanDerWaalsContact C-N 3.34Å; P221-L358 HydrophobicContact CB-CD2 4.02Å
222	L	63.2	Low	62.6	Low	18 Å²	18	79.4 Å²	79.4	9%	0.094	42%	0.424	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-7.5	175.4	-62.5	-177.6	0	0	0	112.8	F82 F98 F99 Y198 N220 W228	F82-L222 HydrophobicContact CE1-CD1 3.78Å; F82-L222 HydrophobicContact CE1-CG 4.27Å; F82-L222 HydrophobicContact CE2-CD2 4.47Å; F82-L222 HydrophobicContact CE2-CG 4.39Å; F82-L222 HydrophobicContact CZ-CD1 3.53Å; F82-L222 HydrophobicContact CZ-CD2 3.78Å; F82-L222 HydrophobicContact CZ-CG 3.54Å; F98-L222 HydrophobicContact CB-CD1 4.45Å; F98-L222 HydrophobicContact CB-CD2 4.04Å; F98-L222 HydrophobicContact CD1-CD1 3.83Å; F98-L222 HydrophobicContact CD1-CD2 3.26Å; F98-L222 HydrophobicContact CD1-CG 4.09Å; F98-L222 HydrophobicContact CD2-CD1 3.62Å; F98-L222 HydrophobicContact CD2-CD2 4.47Å; F98-L222 HydrophobicContact CE1-CB 4.45Å; F98-L222 HydrophobicContact CE1-CD1 3.92Å; F98-L222 HydrophobicContact CE1-CD2 3.79Å; F98-L222 HydrophobicContact CE1-CG 4.26Å; F98-L222 HydrophobicContact CE2-CD1 3.7Å; F98-L222 HydrophobicContact CG-CD1 3.68Å; F98-L222 HydrophobicContact CG-CD2 3.67Å; F98-L222 HydrophobicContact CG-CG 4.31Å; F98-L222 HydrophobicContact CZ-CD1 3.85Å; F99-L222 HydrophobicContact CD2-CD2 4.36Å; F99-L222 HydrophobicContact CE2-CD2 3.77Å; F99-L222 HydrophobicContact CZ-CD2 4.02Å; Y198-L222 VanDerWaalsContact OH-C 3.25Å; Y198-L222 PolarHBondContact OH-O 3.26Å; N220-L222 PolarHBondContact O-N 2.79Å; N220-L222 PolarHBondContact OD1-N 3.05Å; N220-L222 VanDerWaalsContact OD1-N 3.07Å; L222-W228 VanDerWaalsContact O-CE2 3.32Å; L222-W228 VanDerWaalsContact O-CZ2 3.32Å; L222-W228 WeakPolarHBondContact O-CZ2 3.5Å; L222-W228 PolarHBondContact O-NE1 3.25Å
223	G	59.8	Low	64.9	Low	7 Å²	7	70.2 Å²	70.2	7%	0.072	39%	0.394	C	S	.	.			trans	66.8	-179.3	-168.7	0	0	0	0	0	112.5	Y198 N220 P221	Y198-G223 PolarHBondContact OH-N 2.87Å; N220-G223 PolarHBondContact O-N 2.91Å; P221-G223 VanDerWaalsContact C-N 3.34Å
224	R	63.7	Low	67.4	Low	81 Å²	81	62.1 Å²	62.1	31%	0.306	36%	0.357	S	S	.	.			trans	-64.5	147.5	-176.9	-63.8	-179.9	177.8	-172.8	-4.9	111.2	D210 D217 G226 I227	D210-R224 PolarHBondContact O-NH1 3.08Å; D217-R224 HydrophobicContact CB-CG 4.43Å; R224-G226 PolarHBondContact O-N 3.21Å; R224-I227 WeakPolarHBondContact O-CB 3.25Å; R224-I227 PolarHBondContact O-N 3.11Å
225	A	62.9	Low	69.7	Low	79 Å²	79	62.3 Å²	62.3	65%	0.653	35%	0.348	S	S	*	.	H	α-helix	trans	-52.5	-27.9	176.2	0	0	0	0	0	113.5	I227 W228 T229	A225-I227 VanDerWaalsContact C-N 3.28Å; A225-I227 PolarHBondContact O-N 2.72Å; A225-W228 PolarHBondContact O-N 3.36Å; A225-T229 PolarHBondContact O-N 3Å; A225-T229 PolarHBondContact O-OG1 3.43Å
226	G	67.9	Low	72	Confident	26 Å²	26	55.7 Å²	55.7	27%	0.268	31%	0.308	S	S	.	.	H	α-helix	trans	-61.1	-28.3	175.6	0	0	0	0	0	114.9	R224 W228 T229 K230	R224-G226 PolarHBondContact O-N 3.21Å; G226-W228 PolarHBondContact O-N 2.86Å; G226-T229 PolarHBondContact O-N 3.37Å; G226-K230 WeakPolarHBondContact O-CB 3.5Å; G226-K230 VanDerWaalsContact O-CG 3.28Å; G226-K230 WeakPolarHBondContact O-CG 3.22Å; G226-K230 PolarHBondContact O-N 3.43Å
227	I	81.3	Confident	74.2	Confident	6 Å²	6	51.5 Å²	51.5	3%	0.031	28%	0.283	C	S	.	.	H	α-helix	trans	-65.8	-30.4	176.8	-67.9	172	0	0	0	111.3	L104 V201 R202 V206 R224 A225 H232	L104-I227 HydrophobicContact CD2-CG2 3.67Å; L104-I227 WeakPolarHBondContact CD2-O 2.85Å; V201-I227 HydrophobicContact CG1-CG2 3.9Å; R202-I227 HydrophobicContact CB-CD1 4.16Å; R202-I227 HydrophobicContact CG-CD1 4.13Å; V206-I227 HydrophobicContact CG2-CG1 4.38Å; R224-I227 WeakPolarHBondContact O-CB 3.25Å; R224-I227 PolarHBondContact O-N 3.11Å; A225-I227 VanDerWaalsContact C-N 3.28Å; A225-I227 PolarHBondContact O-N 2.72Å; I227-H232 PolarHBondContact O-NE2 2.82Å
228	W	82.8	Confident	76.1	Confident	39 Å²	39	49.1 Å²	49.1	15%	0.148	27%	0.272	C	S	.	.	H	α-helix	trans	-91.5	-17.9	-174.8	-55.6	102.5	0	0	0	112.8	F98 F99 H102 L104 P129 Y198 L222 A225 G226	F98-W228 HydrophobicContact CD1-CH2 4.31Å; F98-W228 HydrophobicContact CD1-CZ2 4.26Å; F98-W228 AromaticContact CE1-CD2 3.77Å; F98-W228 HydrophobicContact CE1-CD2 3.77Å; F98-W228 AromaticContact CE1-CE2 3.5Å; F98-W228 HydrophobicContact CE1-CE3 4Å; F98-W228 HydrophobicContact CE1-CG 4.46Å; F98-W228 AromaticContact CE1-CH2 3.76Å; F98-W228 HydrophobicContact CE1-CH2 3.76Å; F98-W228 AromaticContact CE1-CZ2 3.52Å; F98-W228 HydrophobicContact CE1-CZ2 3.52Å; F98-W228 AromaticContact CE1-CZ3 3.98Å; F98-W228 HydrophobicContact CE1-CZ3 3.98Å; F98-W228 HydrophobicContact CZ-CD2 4.05Å; F98-W228 HydrophobicContact CZ-CG 4.3Å; F98-W228 HydrophobicContact CZ-CZ2 4.47Å; F99-W228 AromaticContact CD1-CH2 3.65Å; F99-W228 HydrophobicContact CD1-CH2 3.65Å; F99-W228 HydrophobicContact CD1-CZ2 4.36Å; F99-W228 AromaticContact CE1-CH2 3.49Å; F99-W228 HydrophobicContact CE1-CH2 3.49Å; F99-W228 VanDerWaalsContact CE1-CH2 3.49Å; F99-W228 AromaticContact CE1-CZ2 3.81Å; F99-W228 HydrophobicContact CE1-CZ2 3.81Å; F99-W228 HydrophobicContact CZ-CH2 4.46Å; F99-W228 HydrophobicContact CZ-CZ2 4.4Å; H102-W228 HydrophobicContact CB-CE3 3.86Å; H102-W228 HydrophobicContact CB-CZ3 3.83Å; L104-W228 HydrophobicContact CD2-CD2 4.49Å; L104-W228 HydrophobicContact CD2-CE3 3.85Å; L104-W228 HydrophobicContact CD2-CH2 4.42Å; L104-W228 HydrophobicContact CD2-CZ3 3.82Å; L104-W228 HydrophobicContact CG-CZ3 4.25Å; P129-W228 HydrophobicContact CB-CH2 4.09Å; P129-W228 HydrophobicContact CB-CZ3 4.2Å; P129-W228 HydrophobicContact CG-CH2 3.92Å; P129-W228 HydrophobicContact CG-CZ3 3.6Å; Y198-W228 HydrophobicContact CD2-CH2 4.01Å; Y198-W228 AromaticContact CD2-CZ2 3.99Å; Y198-W228 HydrophobicContact CD2-CZ2 3.99Å; Y198-W228 HydrophobicContact CE2-CH2 4.2Å; Y198-W228 AromaticContact CE2-CZ2 3.71Å; Y198-W228 HydrophobicContact CE2-CZ2 3.71Å; L222-W228 VanDerWaalsContact O-CE2 3.32Å; L222-W228 VanDerWaalsContact O-CZ2 3.32Å; L222-W228 WeakPolarHBondContact O-CZ2 3.5Å; L222-W228 PolarHBondContact O-NE1 3.25Å; A225-W228 PolarHBondContact O-N 3.36Å; G226-W228 PolarHBondContact O-N 2.86Å
229	T	81.1	Confident	77.9	Confident	112 Å²	112	43.3 Å²	43.3	69%	0.687	25%	0.248	S	C	*	.	H	α-helix	trans	-109.1	-30.3	-175.2	55.3	0	0	0	0	113.6	A225 G226	A225-T229 PolarHBondContact O-N 3Å; A225-T229 PolarHBondContact O-OG1 3.43Å; G226-T229 PolarHBondContact O-N 3.37Å
230	K	85.1	Confident	79	Confident	106 Å²	106	46.7 Å²	46.7	46%	0.461	25%	0.246	S	C	.	.	S	Bend	trans	-75.2	156.4	178	-67.7	-178	179	-176.7	0	111	D210 G226	D210-K230 IonicContact OD2-NZ 2.64Å; D210-K230 PolarHBondContact OD2-NZ 3.35Å; G226-K230 WeakPolarHBondContact O-CB 3.5Å; G226-K230 VanDerWaalsContact O-CG 3.28Å; G226-K230 WeakPolarHBondContact O-CG 3.22Å; G226-K230 PolarHBondContact O-N 3.43Å
231	T	88.6	Confident	78.8	Confident	60 Å²	60	50.7 Å²	50.7	37%	0.368	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	124.9	169.8	-58.3	0	0	0	0	108.7	K105 Q107 P124	K105-T231 VanDerWaalsContact CD-OG1 3.26Å; K105-T231 WeakPolarHBondContact CD-OG1 3.14Å; K105-T231 VanDerWaalsContact CE-OG1 3.3Å; K105-T231 WeakPolarHBondContact CE-OG1 3.44Å; K105-T231 HydrophobicContact CG-CG2 4.11Å; K105-T231 CarbonylContact O-C 3.45Å; K105-T231 WeakPolarHBondContact O-CA 3.36Å; Q107-T231 HydrophobicContact CB-CG2 3.79Å; P124-T231 HydrophobicContact CB-CG2 4.06Å; P124-T231 HydrophobicContact CG-CG2 4.22Å
232	H	91.3	Very high	78.1	Confident	6 Å²	6	58.2 Å²	58.2	3%	0.028	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	122.7	-173.2	-58.2	-73.7	0	0	0	110.8	K105 C106 Q107 V201 S205 I227	K105-H232 PolarHBondContact O-N 3.04Å; C106-H232 CarbonylContact C-O 3.56Å; C106-H232 WeakPolarHBondContact CA-O 3.38Å; Q107-H232 PolarHBondContact N-O 3.44Å; V201-H232 HydrophobicContact CG1-CB 4.37Å; V201-H232 VanDerWaalsContact CG1-CE1 3.45Å; V201-H232 WeakPolarHBondContact CG1-CE1 3.32Å; V201-H232 WeakPolarHBondContact CG1-NE2 3.4Å; V201-H232 HydrophobicContact CG2-CB 4Å; S205-H232 WeakPolarHBondContact CB-ND1 3.21Å; S205-H232 PolarHBondContact OG-ND1 2.89Å; I227-H232 PolarHBondContact O-NE2 2.82Å
233	T	92.9	Very high	77.1	Confident	45 Å²	45	62.6 Å²	62.6	28%	0.276	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	123.4	-179.8	-55.5	0	0	0	0	110.6	Q107 Q109 W235	Q107-T233 CarbonylContact O-C 3.59Å; Q107-T233 WeakPolarHBondContact O-CA 3.36Å; Q109-T233 HydrophobicContact CB-CG2 4.3Å; Q109-T233 HydrophobicContact CG-CG2 4.09Å; T233-W235 HydrophobicContact CG2-CD2 4.07Å; T233-W235 HydrophobicContact CG2-CG 4.49Å; T233-W235 HydrophobicContact CG2-CZ2 3.91Å
234	I	94.8	Very high	76.2	Confident	0 Å²	0	70.8 Å²	70.8	0%	0	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	116.8	171.1	-57.9	177.2	0	0	0	107.4	C106 Q107 L108 Q109 I136 F184 Y185 I186 L191 V197	C106-I234 HydrophobicContact CB-CD1 4.03Å; C106-I234 HydrophobicContact CB-CG1 4.46Å; Q107-I234 PolarHBondContact O-N 3.48Å; L108-I234 WeakPolarHBondContact CA-O 3.32Å; L108-I234 HydrophobicContact CD2-CB 4.01Å; Q109-I234 PolarHBondContact N-O 3.2Å; I136-I234 HydrophobicContact CD1-CD1 3.68Å; F184-I234 HydrophobicContact CB-CG2 4.19Å; F184-I234 HydrophobicContact CD1-CG2 3.9Å; Y185-I234 CarbonylContact O-C 3.43Å; Y185-I234 WeakPolarHBondContact O-CA 3.22Å; I186-I234 HydrophobicContact CD1-CG1 4.19Å; I186-I234 HydrophobicContact CG1-CG1 4Å; L191-I234 HydrophobicContact CD1-CG2 4.21Å; V197-I234 HydrophobicContact CG1-CD1 4.31Å
235	W	93.5	Very high	75	Confident	62 Å²	62	72 Å²	72	24%	0.235	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	142.5	177.6	-56.5	98.8	0	0	0	110.3	Q109 R110 H111 P112 F184 Y185 T233	Q109-W235 HydrophobicContact CB-CD2 4.34Å; Q109-W235 HydrophobicContact CB-CE3 3.52Å; Q109-W235 HydrophobicContact CB-CH2 4.38Å; Q109-W235 HydrophobicContact CB-CZ3 3.56Å; Q109-W235 HydrophobicContact CG-CZ3 4.44Å; Q109-W235 CarbonylContact O-C 3.59Å; Q109-W235 WeakPolarHBondContact O-CA 3.45Å; R110-W235 VanDerWaalsContact O-CE3 3.24Å; R110-W235 VanDerWaalsContact O-CZ3 3.32Å; R110-W235 WeakPolarHBondContact O-CZ3 3.33Å; H111-W235 HydrophobicContact CB-CB 4.48Å; P112-W235 HydrophobicContact CG-CE3 4.48Å; P112-W235 HydrophobicContact CG-CH2 4.08Å; P112-W235 HydrophobicContact CG-CZ3 3.92Å; F184-W235 CarbonylContact C-O 3.57Å; F184-W235 VanDerWaalsContact CA-O 3.25Å; F184-W235 WeakPolarHBondContact CA-O 3.24Å; Y185-W235 PolarHBondContact N-O 2.92Å; Y185-W235 PolarHBondContact O-N 3.36Å; T233-W235 HydrophobicContact CG2-CD2 4.07Å; T233-W235 HydrophobicContact CG2-CG 4.49Å; T233-W235 HydrophobicContact CG2-CZ2 3.91Å
236	Y	93.4	Very high	73.5	Confident	0 Å²	0	74 Å²	74	0%	0	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	145.4	171.9	64.7	-92.6	0	0	0	111.7	L108 Q109 R110 H111 V117 K118 Q119 W120 L140 L182 Q183	L108-Y236 HydrophobicContact CB-CD1 4.46Å; L108-Y236 HydrophobicContact CB-CE1 4.31Å; Q109-Y236 WeakPolarHBondContact O-CD1 3.26Å; Q109-Y236 WeakPolarHBondContact O-CE1 3.35Å; Q109-Y236 PolarHBondContact O-N 2.79Å; R110-Y236 WeakPolarHBondContact CA-O 3.23Å; R110-Y236 HydrophobicContact CB-CE2 4.2Å; H111-Y236 PolarHBondContact N-O 3.07Å; V117-Y236 HydrophobicContact CG2-CE2 4.3Å; K118-Y236 PolarHBondContact O-OH 3.45Å; Q119-Y236 WeakPolarHBondContact CA-OH 3.43Å; W120-Y236 HydrophobicContact CB-CE1 4.14Å; W120-Y236 PolarHBondContact N-OH 3.38Å; L140-Y236 HydrophobicContact CD1-CD1 3.75Å; L140-Y236 HydrophobicContact CD1-CD2 4.37Å; L140-Y236 HydrophobicContact CD1-CE1 4.11Å; L140-Y236 HydrophobicContact CD1-CG 3.9Å; L182-Y236 HydrophobicContact CD1-CD2 4.23Å; L182-Y236 HydrophobicContact CD2-CD2 4.19Å; Q183-Y236 VanDerWaalsContact O-CA 3.24Å; Q183-Y236 WeakPolarHBondContact O-CA 3.26Å
237	K	90.8	Very high	71.8	Confident	41 Å²	41	79.5 Å²	79.5	18%	0.178	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	158.6	175.1	68.2	-173.4	-172.9	-162.7	0	111.3	H111 C114 L182 Q183 Y185	H111-K237 HydrophobicContact CB-CB 3.84Å; H111-K237 HydrophobicContact CB-CD 4.09Å; H111-K237 HydrophobicContact CB-CG 4.44Å; C114-K237 HydrophobicContact CB-CB 4.33Å; C114-K237 WeakPolarHBondContact SG-CB 3.27Å; L182-K237 CarbonylContact C-O 3.52Å; L182-K237 VanDerWaalsContact CA-O 3.32Å; L182-K237 WeakPolarHBondContact CA-O 3.39Å; Q183-K237 PolarHBondContact N-O 2.79Å; Q183-K237 PolarHBondContact O-N 2.89Å; Y185-K237 HydrophobicContact CE2-CD 3.98Å; Y185-K237 HydrophobicContact CE2-CG 3.97Å; Y185-K237 VanDerWaalsContact CZ-CE 3.48Å; Y185-K237 WeakPolarHBondContact OH-CE 3.34Å; Y185-K237 PolarHBondContact OH-NZ 3.47Å
238	P	88.6	Confident	69.4	Low	17 Å²	17	82.9 Å²	82.9	11%	0.11	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	145.4	178.7	-5.2	12.5	0	0	0	112	V117 V148 R181 R240	V117-P238 HydrophobicContact CG1-CB 4.47Å; V117-P238 HydrophobicContact CG1-CG 3.66Å; V117-P238 HydrophobicContact CG2-CG 4.36Å; V148-P238 HydrophobicContact CG2-CB 3.85Å; V148-P238 HydrophobicContact CG2-CG 4.08Å; R181-P238 WeakPolarHBondContact O-CA 3.41Å; P238-R240 PolarHBondContact O-N 3.12Å
239	V	86.5	Confident	67	Low	49 Å²	49	87.1 Å²	87.1	30%	0.297	45%	0.454	S	S	.	.	P	Polyproline II helix	trans	-66.9	120	166.5	178.7	0	0	0	0	108.1	H180 R181 Q183	H180-V239 HydrophobicContact CB-CG2 4.21Å; H180-V239 WeakPolarHBondContact O-CG2 3.35Å; R181-V239 PolarHBondContact O-N 2.71Å; Q183-V239 HydrophobicContact CG-CB 4.46Å; Q183-V239 HydrophobicContact CG-CG2 3.66Å
240	R	74.2	Confident	64.7	Low	164 Å²	164	88.6 Å²	88.6	62%	0.619	46%	0.462	S	S	*	.	P	Polyproline II helix	trans	-71.4	134.3	172.7	-69.5	-178.4	171.8	169.7	-2.9	109.6	P238 D242 E243	P238-R240 PolarHBondContact O-N 3.12Å; R240-D242 PolarHBondContact O-N 3.05Å; R240-D242 VanDerWaalsContact O-N 3.14Å; R240-E243 PolarHBondContact O-N 3.48Å
241	E	56.1	Low	62	Low	141 Å²	141	86.1 Å²	86.1	66%	0.659	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-15.6	-177.9	-65.5	-155.3	121.9	0	0	113.7	R179	R179-E241 IonicContact CZ-OE1 3.64Å; R179-E241 VanDerWaalsContact CZ-OE1 3.31Å; R179-E241 IonicContact NH1-OE1 3.57Å; R179-E241 PolarHBondContact NH1-OE1 3.21Å; R179-E241 IonicContact NH2-OE1 2.95Å; R179-E241 PolarHBondContact NH2-OE1 3.15Å
242	D	42.6	Very low	59.2	Low	164 Å²	164	86.5 Å²	86.5	88%	0.877	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.4	-5.6	-175.9	-65.8	-39.4	0	0	0	115.6	R240	R240-D242 PolarHBondContact O-N 3.05Å; R240-D242 VanDerWaalsContact O-N 3.14Å
243	E	42.1	Very low	56.1	Low	110 Å²	110	95.6 Å²	95.6	51%	0.514	52%	0.522	S	S	.	.			trans	-105.2	44.7	-178	-72.9	-171.8	179.5	0	0	113.6	R240 S245	R240-E243 PolarHBondContact O-N 3.48Å; E243-S245 PolarHBondContact O-N 2.93Å
244	E	40.6	Very low	53	Low	178 Å²	178	102.8 Å²	102.8	83%	0.832	54%	0.544	S	S	*	.			trans	-75	67.8	162.9	-88.7	-164	162	0	0	111.2
245	S	37.3	Very low	49.7	Very low	106 Å²	106	106 Å²	106	74%	0.741	58%	0.578	S	S	*	*			trans	-160.1	55.1	162.8	65.6	0	0	0	0	115.3	E243	E243-S245 PolarHBondContact O-N 2.93Å
246	T	31.8	Very low	46.5	Very low	121 Å²	121	113.8 Å²	113.8	74%	0.742	61%	0.607	S	S	*	*			trans	-133.6	89	151.9	-29.8	0	0	0	0	107.9	D248	T246-D248 PolarHBondContact O-N 3.49Å
247	K	32.2	Very low	43.4	Very low	142 Å²	142	118 Å²	118	62%	0.617	64%	0.642	S	S	*	*			trans	-65.7	126.9	170.6	-81	178.9	174	174.3	0	108.1	C249	K247-C249 PolarHBondContact O-N 3.03Å
248	D	32.1	Very low	40.3	Very low	78 Å²	78	124.2 Å²	124.2	42%	0.417	67%	0.671	S	S	.	*			trans	-46.7	124.5	159.7	-77.4	-42.4	0	0	0	109.9	P192 T246 V250	P192-D248 WeakPolarHBondContact CB-OD1 3.45Å; T246-D248 PolarHBondContact O-N 3.49Å; D248-V250 PolarHBondContact O-N 3.42Å
249	C	31.7	Very low	37.7	Very low	128 Å²	128	129.7 Å²	129.7	87%	0.865	71%	0.705	S	S	*	*	S	Bend	trans	-74.8	49.1	178.4	-52	0	0	0	0	112	K247	K247-C249 PolarHBondContact O-N 3.03Å
250	V	33.7	Very low	35	Very low	142 Å²	142	131 Å²	131	86%	0.861	72%	0.721	S	S	*	*	S	Bend	trans	-152.1	72.5	151.3	-172.5	0	0	0	0	106.1	D248	D248-V250 PolarHBondContact O-N 3.42Å
251	G	28.3	Very low	32.9	Very low	54 Å²	54	127.4 Å²	127.4	56%	0.557	72%	0.719	S	S	*	*			trans	-155.8	107.6	179.4	0	0	0	0	0	108.1	K253	G251-K253 PolarHBondContact O-N 3.19Å
252	G	29.5	Very low	31.9	Very low	69 Å²	69	127.8 Å²	127.8	71%	0.711	73%	0.731	S	S	*	*			trans	-45.6	140.2	172.6	0	0	0	0	0	109.8	R254	G252-R254 VanDerWaalsContact C-N 3.3Å; G252-R254 PolarHBondContact O-N 3.32Å
253	K	25.3	Very low	31.3	Very low	196 Å²	196	127.8 Å²	127.8	85%	0.852	72%	0.723	S	S	*	*			trans	-47.1	97.1	174.7	-72.8	175.8	178.6	171	0	108.7	G251 G255	G251-K253 PolarHBondContact O-N 3.19Å; K253-G255 PolarHBondContact O-N 3.19Å
254	R	28.6	Very low	31	Very low	197 Å²	197	129 Å²	129	74%	0.743	74%	0.738	S	S	*	*			trans	-61.7	91.1	152.5	-83.2	-173.9	176.4	172.7	1.8	104.4	G252 R256	G252-R254 VanDerWaalsContact C-N 3.3Å; G252-R254 PolarHBondContact O-N 3.32Å; R254-R256 PolarHBondContact O-N 3.48Å
255	G	25.1	Very low	30.3	Very low	68 Å²	68	125.7 Å²	125.7	70%	0.701	74%	0.735	S	S	*	*			trans	-56.8	104.8	148.6	0	0	0	0	0	104.6	K253 A257	K253-G255 PolarHBondContact O-N 3.19Å; G255-A257 VanDerWaalsContact C-N 3.31Å; G255-A257 PolarHBondContact O-N 2.95Å
256	R	25.4	Very low	30.2	Very low	224 Å²	224	126.4 Å²	126.4	85%	0.845	74%	0.736	S	S	*	*			trans	-52	110.9	157.2	-158.9	177.1	-172	173.9	3.7	103.1	R254 Q258	R254-R256 PolarHBondContact O-N 3.48Å; R256-Q258 PolarHBondContact O-N 3.35Å
257	A	29.3	Very low	30.6	Very low	90 Å²	90	132 Å²	132	74%	0.744	74%	0.744	S	S	*	*			trans	-52.4	106.8	158.5	0	0	0	0	0	103.5	G255 T259	G255-A257 VanDerWaalsContact C-N 3.31Å; G255-A257 PolarHBondContact O-N 2.95Å; A257-T259 PolarHBondContact O-N 3.38Å
258	Q	26.4	Very low	31.3	Very low	170 Å²	170	132.5 Å²	132.5	79%	0.794	75%	0.754	S	S	*	*			trans	-55.2	107.3	159.3	-75	179.2	0.2	0	0	103	R256 A260	R256-Q258 PolarHBondContact O-N 3.35Å; Q258-A260 PolarHBondContact O-N 2.91Å
259	T	32.9	Very low	31.7	Very low	133 Å²	133	133.5 Å²	133.5	82%	0.816	77%	0.772	S	S	*	*			trans	-49.8	103.3	140.3	43.7	0	0	0	0	103.4	A257	A257-T259 PolarHBondContact O-N 3.38Å
260	A	29.2	Very low	32.7	Very low	76 Å²	76	136.7 Å²	136.7	63%	0.628	77%	0.771	S	S	*	*			trans	-45	138.5	172.4	0	0	0	0	0	106.7	Q258 T262	Q258-A260 PolarHBondContact O-N 2.91Å; A260-T262 PolarHBondContact O-N 2.88Å
261	P	31.5	Very low	34.4	Very low	88 Å²	88	139.5 Å²	139.5	57%	0.571	77%	0.772	S	S	*	*			trans	-53.7	136.6	174.2	25.7	-32.5	0	0	0	106.7	K263	P261-K263 HydrophobicContact CB-CG 4.36Å; P261-K263 HydrophobicContact CG-CD 4.4Å; P261-K263 HydrophobicContact CG-CG 4.12Å; P261-K263 PolarHBondContact O-N 3.21Å
262	T	34.2	Very low	37.1	Very low	149 Å²	149	141.9 Å²	141.9	91%	0.914	77%	0.769	S	S	*	*			trans	-58.7	73.8	158.1	39.6	0	0	0	0	107.7	A260	A260-T262 PolarHBondContact O-N 2.88Å
263	K	31	Very low	40	Very low	165 Å²	165	141 Å²	141	72%	0.717	75%	0.748	S	S	*	*			trans	-76	117.9	157.1	-78.6	-175.2	176.9	-177.9	0	104.2	P261 S265	P261-K263 HydrophobicContact CB-CG 4.36Å; P261-K263 HydrophobicContact CG-CD 4.4Å; P261-K263 HydrophobicContact CG-CG 4.12Å; P261-K263 PolarHBondContact O-N 3.21Å; K263-S265 PolarHBondContact O-N 3Å; K263-S265 VanDerWaalsContact O-N 3.14Å
264	T	34.4	Very low	43.2	Very low	136 Å²	136	137.1 Å²	137.1	83%	0.834	73%	0.732	S	S	*	*			trans	-27.4	120.3	153.8	39.8	0	0	0	0	109.4	P266	T264-P266 WeakPolarHBondContact O-CD 3.26Å
265	S	25.9	Very low	46.3	Very low	108 Å²	108	128.5 Å²	128.5	76%	0.755	70%	0.701	S	S	*	*			trans	-44.4	122.9	-176.9	-52.4	0	0	0	0	110.5	K263 R267	K263-S265 PolarHBondContact O-N 3Å; K263-S265 VanDerWaalsContact O-N 3.14Å; S265-R267 PolarHBondContact O-N 3.22Å
266	P	35.9	Very low	49.7	Very low	120 Å²	120	127.4 Å²	127.4	78%	0.779	68%	0.676	S	S	*	*			trans	-66.2	121.8	150.5	25.2	-19.5	0	0	0	104.9	T264 N268	T264-P266 WeakPolarHBondContact O-CD 3.26Å; P266-N268 PolarHBondContact O-N 3.23Å
267	R	40.6	Very low	52.9	Low	240 Å²	240	120.7 Å²	120.7	91%	0.906	65%	0.654	S	S	*	*			trans	-41.4	125.8	175.9	-86.5	174.8	166.3	174	-4.6	110.7	S265	S265-R267 PolarHBondContact O-N 3.22Å
268	N	45.9	Very low	56	Low	152 Å²	152	120.4 Å²	120.4	81%	0.813	64%	0.64	S	S	*	*			trans	3.5	111	156.4	-76.4	-30.3	0	0	0	116.7	P266	P266-N268 PolarHBondContact O-N 3.23Å
269	A	40.6	Very low	59.2	Low	98 Å²	98	112.4 Å²	112.4	81%	0.81	60%	0.603	S	S	*	*			trans	-117.7	107.6	130.4	0	0	0	0	0	106	K271	A269-K271 PolarHBondContact O-N 2.93Å
270	K	53.6	Low	62.2	Low	195 Å²	195	109.5 Å²	109.5	85%	0.848	59%	0.585	S	S	*	*			trans	-57.8	112.1	171.2	-81.2	178.7	175.2	178	0	106.6	H272	K270-H272 PolarHBondContact O-N 3.07Å
271	K	69.3	Low	65.2	Low	201 Å²	201	107 Å²	107	87%	0.874	56%	0.563	S	S	*	*			trans	-52.4	126.2	170.2	-160.7	177.6	-177.5	-173.9	0	106.6	A269 D273	A269-K271 PolarHBondContact O-N 2.93Å; K271-D273 PolarHBondContact O-N 3.31Å
272	H	84.6	Confident	68.2	Low	104 Å²	104	106.7 Å²	106.7	48%	0.481	56%	0.56	S	S	.	*			trans	-56.4	124.7	179.9	-169.3	-105.8	0	0	0	108.4	K270 E274 H277 D278	K270-H272 PolarHBondContact O-N 3.07Å; H272-E274 PolarHBondContact O-N 3.35Å; H272-H277 AromaticContact NE2-CG 3.84Å; H272-D278 IonicContact CE1-OD1 3.96Å; H272-D278 PolarHBondContact CE1-OD1 2.96Å; H272-D278 IonicContact CE1-OD2 3.88Å; H272-D278 PolarHBondContact CE1-OD2 3.17Å; H272-D278 IonicContact ND1-OD2 3.56Å; H272-D278 PolarHBondContact ND1-OD2 3.04Å
273	D	89.3	Confident	70.9	Confident	51 Å²	51	104.8 Å²	104.8	27%	0.273	55%	0.553	S	S	.	*			trans	-88.9	84.2	179.4	-174	-22.9	0	0	0	107.4	K271 L275 W276 H277 R521	K271-D273 PolarHBondContact O-N 3.31Å; D273-L275 PolarHBondContact O-N 3.34Å; D273-W276 HydrophobicContact CB-CB 4.26Å; D273-W276 PolarHBondContact O-N 2.93Å; D273-W276 VanDerWaalsContact O-N 3.15Å; D273-W276 PolarHBondContact OD1-N 3.28Å; D273-W276 VanDerWaalsContact OD1-N 3.15Å; D273-H277 PolarHBondContact O-N 3.19Å; D273-H277 PolarHBondContact O-ND1 3.03Å; D273-R521 IonicContact OD1-NH2 3.46Å; D273-R521 PolarHBondContact OD1-NH2 3.25Å; D273-R521 IonicContact OD2-CZ 3.01Å; D273-R521 IonicContact OD2-NH1 3.43Å; D273-R521 PolarHBondContact OD2-NH1 3.08Å; D273-R521 IonicContact OD2-NH2 3.82Å; D273-R521 PolarHBondContact OD2-NH2 3.4Å
274	E	93.8	Very high	73.7	Confident	114 Å²	114	100.8 Å²	100.8	53%	0.533	54%	0.542	S	S	.	.	H	α-helix	trans	-60.8	-32.4	-174.3	-63.9	177.2	178.3	0	0	112	H272 D278 G279 V280	H272-E274 PolarHBondContact O-N 3.35Å; E274-D278 CarbonylContact O-C 3.58Å; E274-D278 VanDerWaalsContact O-CA 3.31Å; E274-D278 WeakPolarHBondContact O-CA 3.46Å; E274-D278 VanDerWaalsContact O-CB 3.28Å; E274-D278 WeakPolarHBondContact O-CB 3.46Å; E274-D278 PolarHBondContact O-N 3.48Å; E274-G279 PolarHBondContact O-N 3.3Å; E274-G279 VanDerWaalsContact O-N 3.08Å; E274-V280 HydrophobicContact CB-CB 4.23Å; E274-V280 PolarHBondContact O-N 2.87Å
275	L	94.1	Very high	76.5	Confident	17 Å²	17	96.2 Å²	96.2	9%	0.089	52%	0.518	C	S	.	.	H	α-helix	trans	-61.4	-51	173.3	176.5	68.9	0	0	0	110.6	D273 G279 V280 L662 F665 E670	D273-L275 PolarHBondContact O-N 3.34Å; L275-G279 VanDerWaalsContact O-CA 3.24Å; L275-G279 WeakPolarHBondContact O-CA 3.48Å; L275-G279 PolarHBondContact O-N 3.08Å; L275-G279 VanDerWaalsContact O-N 3.1Å; L275-V280 WeakPolarHBondContact CA-O 3.03Å; L275-L662 HydrophobicContact CD1-CD2 3.71Å; L275-F665 HydrophobicContact CD1-CD1 3.9Å; L275-F665 HydrophobicContact CD1-CE1 4.09Å; L275-F665 HydrophobicContact CD2-CD1 4.14Å; L275-F665 HydrophobicContact CD2-CE1 3.68Å; L275-E670 HydrophobicContact CD2-CB 4.24Å; L275-E670 HydrophobicContact CD2-CG 3.79Å
276	W	95.1	Very high	79.7	Confident	44 Å²	44	93 Å²	93	17%	0.167	49%	0.493	C	S	.	.	H	α-helix	trans	-75.2	-39.2	-174.8	-178.1	-115.9	0	0	0	113.7	D273 R521 E641 K644 W666	D273-W276 HydrophobicContact CB-CB 4.26Å; D273-W276 PolarHBondContact O-N 2.93Å; D273-W276 VanDerWaalsContact O-N 3.15Å; D273-W276 PolarHBondContact OD1-N 3.28Å; D273-W276 VanDerWaalsContact OD1-N 3.15Å; W276-R521 VanDerWaalsContact CB-CZ 3.47Å; W276-R521 VanDerWaalsContact CD2-CD 3.5Å; W276-R521 HydrophobicContact CE3-CG 4.31Å; W276-R521 VanDerWaalsContact CG-NH1 3.34Å; W276-R521 HydrophobicContact CZ3-CG 4.27Å; W276-E641 HydrophobicContact CH2-CB 3.87Å; W276-E641 HydrophobicContact CZ3-CB 4.09Å; W276-E641 WeakPolarHBondContact CZ3-O 3.26Å; W276-K644 HydrophobicContact CD2-CB 4.27Å; W276-K644 HydrophobicContact CZ2-CB 4.05Å; W276-K644 HydrophobicContact CZ2-CG 4.36Å; W276-K644 WeakPolarHBondContact O-CB 3.37Å; W276-K644 PolarHBondContact O-N 3.31Å; W276-W666 HydrophobicContact CE3-CZ2 4.35Å
277	H	94.3	Very high	82.4	Confident	84 Å²	84	88.5 Å²	88.5	39%	0.389	46%	0.463	S	S	.	.	H	α-helix	trans	-88.6	-37.8	-174.8	-63.6	84.5	0	0	0	112.2	H272 D273	H272-H277 AromaticContact NE2-CG 3.84Å; D273-H277 PolarHBondContact O-N 3.19Å; D273-H277 PolarHBondContact O-ND1 3.03Å
278	D	93.3	Very high	84.9	Confident	84 Å²	84	77.1 Å²	77.1	45%	0.449	42%	0.42	S	S	.	.	H	α-helix	trans	-111.6	-7.1	-172.5	-48.3	-40.1	0	0	0	113.3	H272 E274 V280	H272-D278 IonicContact CE1-OD1 3.96Å; H272-D278 PolarHBondContact CE1-OD1 2.96Å; H272-D278 IonicContact CE1-OD2 3.88Å; H272-D278 PolarHBondContact CE1-OD2 3.17Å; H272-D278 IonicContact ND1-OD2 3.56Å; H272-D278 PolarHBondContact ND1-OD2 3.04Å; E274-D278 CarbonylContact O-C 3.58Å; E274-D278 VanDerWaalsContact O-CA 3.31Å; E274-D278 WeakPolarHBondContact O-CA 3.46Å; E274-D278 VanDerWaalsContact O-CB 3.28Å; E274-D278 WeakPolarHBondContact O-CB 3.46Å; E274-D278 PolarHBondContact O-N 3.48Å; D278-V280 VanDerWaalsContact C-N 3.28Å; D278-V280 HydrophobicContact CB-CG2 3.85Å; D278-V280 PolarHBondContact O-N 2.77Å
279	G	94.1	Very high	87.1	Confident	1 Å²	1	73.2 Å²	73.2	1%	0.01	40%	0.398	C	S	.	.			trans	71.9	20	-177	0	0	0	0	0	113.9	E274 L275 C281	E274-G279 PolarHBondContact O-N 3.3Å; E274-G279 VanDerWaalsContact O-N 3.08Å; L275-G279 VanDerWaalsContact O-CA 3.24Å; L275-G279 WeakPolarHBondContact O-CA 3.48Å; L275-G279 PolarHBondContact O-N 3.08Å; L275-G279 VanDerWaalsContact O-N 3.1Å; G279-C281 PolarHBondContact O-N 3.1Å
280	V	94.9	Very high	89.6	Confident	73 Å²	73	73.2 Å²	73.2	44%	0.442	39%	0.387	S	S	.	.			trans	-86.7	106.7	-176.7	-179.7	0	0	0	0	110.4	E274 L275 D278	E274-V280 HydrophobicContact CB-CB 4.23Å; E274-V280 PolarHBondContact O-N 2.87Å; L275-V280 WeakPolarHBondContact CA-O 3.03Å; D278-V280 VanDerWaalsContact C-N 3.28Å; D278-V280 HydrophobicContact CB-CG2 3.85Å; D278-V280 PolarHBondContact O-N 2.77Å
281	C	93.8	Very high	91.5	Very high	24 Å²	24	66.2 Å²	66.2	16%	0.162	36%	0.356	C	S	.	.	P	Polyproline II helix	trans	-77.5	147.3	172.9	-58.7	0	0	0	0	111.6	G279 L662 F665	G279-C281 PolarHBondContact O-N 3.1Å; C281-L662 VanDerWaalsContact SG-CD2 3.56Å; C281-F665 HydrophobicContact CB-CB 4.33Å; C281-F665 HydrophobicContact CB-CG 4.25Å
282	P	93.5	Very high	92.7	Very high	80 Å²	80	56.8 Å²	56.8	52%	0.519	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-55	147.9	163	-23.5	34.3	0	0	0	112.1	F665	P282-F665 HydrophobicContact CB-CE2 4.37Å; P282-F665 VanDerWaalsContact CD-CZ 3.46Å; P282-F665 HydrophobicContact CG-CE1 4.35Å; P282-F665 HydrophobicContact CG-CE2 3.88Å; P282-F665 HydrophobicContact CG-CZ 3.63Å
283	S	90.3	Very high	92.9	Very high	109 Å²	109	54.8 Å²	54.8	76%	0.762	31%	0.307	S	S	*	.	P	Polyproline II helix	trans	-65.9	135.2	176.2	58	0	0	0	0	111.3	A285	S283-A285 PolarHBondContact O-N 3.31Å
284	V	91.3	Very high	92.7	Very high	81 Å²	81	54.8 Å²	54.8	49%	0.491	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-65.9	125.7	170.5	-177.8	0	0	0	0	109.1	T569 T572	V284-T569 CarbonylContact C-O 3.56Å; V284-T569 WeakPolarHBondContact CA-O 3.39Å; V284-T572 HydrophobicContact CG1-CG2 3.98Å
285	A	93.3	Very high	92.5	Very high	40 Å²	40	53.4 Å²	53.4	33%	0.331	31%	0.309	S	S	.	.	P	Polyproline II helix	trans	-76.9	130.9	178.1	0	0	0	0	0	110.3	S283 P287 T569 S570	S283-A285 PolarHBondContact O-N 3.31Å; A285-P287 VanDerWaalsContact O-CD 3.27Å; A285-P287 WeakPolarHBondContact O-CD 3.45Å; A285-T569 PolarHBondContact N-O 3.38Å; A285-S570 WeakPolarHBondContact O-CA 3.5Å; A285-S570 WeakPolarHBondContact O-CB 3.26Å
286	N	92.5	Very high	92.3	Very high	42 Å²	42	55 Å²	55	23%	0.225	32%	0.32	C	S	.	.			trans	-81.2	112.9	172.6	-177.4	-15.2	0	0	0	109.9	L288 E289 Y325	N286-L288 PolarHBondContact O-N 2.82Å; N286-L288 VanDerWaalsContact O-N 3.11Å; N286-L288 WeakPolarHBondContact OD1-CB 3.17Å; N286-L288 PolarHBondContact OD1-N 3.2Å; N286-E289 HydrophobicContact CB-CG 4.09Å; N286-E289 WeakPolarHBondContact O-CB 3.48Å; N286-E289 PolarHBondContact O-N 2.96Å; N286-E289 VanDerWaalsContact O-N 3.15Å; N286-Y325 WeakPolarHBondContact OD1-CB 3.43Å
287	P	92.5	Very high	92.1	Very high	24 Å²	24	53.9 Å²	53.9	16%	0.156	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-58.8	-25.7	-179.2	-24.5	35.7	0	0	0	113.9	A285 E289 Y291 Y322 Y325	A285-P287 VanDerWaalsContact O-CD 3.27Å; A285-P287 WeakPolarHBondContact O-CD 3.45Å; P287-E289 PolarHBondContact O-N 3.47Å; P287-Y291 VanDerWaalsContact O-CD2 3.31Å; P287-Y291 WeakPolarHBondContact O-CD2 3.4Å; P287-Y322 HydrophobicContact CB-CD1 3.9Å; P287-Y322 HydrophobicContact CB-CD2 4.23Å; P287-Y322 HydrophobicContact CB-CE1 3.88Å; P287-Y322 HydrophobicContact CB-CE2 4.2Å; P287-Y322 HydrophobicContact CB-CG 4.09Å; P287-Y322 HydrophobicContact CG-CD1 4.26Å; P287-Y322 HydrophobicContact CG-CE1 4.34Å; P287-Y325 HydrophobicContact CG-CD2 4.47Å; P287-Y325 HydrophobicContact CG-CE2 3.72Å
288	L	93.3	Very high	91.7	Very high	1 Å²	1	59.1 Å²	59.1	1%	0.005	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-62.4	-31.3	-179.8	-173.1	59.4	0	0	0	112	L29 N286 V290 Y291 L292 A318 I319 L326	L29-L288 HydrophobicContact CD1-CD2 4.45Å; N286-L288 PolarHBondContact O-N 2.82Å; N286-L288 VanDerWaalsContact O-N 3.11Å; N286-L288 WeakPolarHBondContact OD1-CB 3.17Å; N286-L288 PolarHBondContact OD1-N 3.2Å; L288-V290 VanDerWaalsContact C-N 3.29Å; L288-V290 PolarHBondContact O-N 3.03Å; L288-Y291 PolarHBondContact O-N 2.94Å; L288-L292 HydrophobicContact CD1-CD2 4.28Å; L288-L292 HydrophobicContact CD1-CG 4.27Å; L288-L292 HydrophobicContact CD2-CD1 4.01Å; L288-L292 HydrophobicContact CG-CD1 3.73Å; L288-L292 HydrophobicContact CG-CD2 4.3Å; L288-L292 HydrophobicContact CG-CG 3.89Å; L288-L292 WeakPolarHBondContact O-CG 3.32Å; L288-L292 PolarHBondContact O-N 3.36Å; L288-A318 HydrophobicContact CD1-CB 3.85Å; L288-A318 WeakPolarHBondContact CD1-O 3.37Å; L288-I319 HydrophobicContact CD1-CG1 4.09Å; L288-L326 HydrophobicContact CD2-CD1 4.14Å; L288-L326 HydrophobicContact CD2-CD2 4.07Å; L288-L326 HydrophobicContact CD2-CG 4.14Å
289	E	92.8	Very high	91.3	Very high	71 Å²	71	58.2 Å²	58.2	33%	0.332	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-58.7	-36.4	-173.9	-74.7	-66.1	136.4	0	0	113.8	K17 R25 N286 P287 Y291 L292	K17-E289 VanDerWaalsContact CE-OE2 3.32Å; K17-E289 WeakPolarHBondContact CE-OE2 3.27Å; K17-E289 IonicContact NZ-OE2 3.41Å; K17-E289 PolarHBondContact NZ-OE2 2.83Å; R25-E289 IonicContact CZ-OE1 3.21Å; R25-E289 IonicContact CZ-OE2 3.95Å; R25-E289 IonicContact NH2-OE1 3.63Å; R25-E289 PolarHBondContact NH2-OE1 3.19Å; R25-E289 IonicContact NH2-OE2 2.69Å; R25-E289 PolarHBondContact NH2-OE2 3.48Å; N286-E289 HydrophobicContact CB-CG 4.09Å; N286-E289 WeakPolarHBondContact O-CB 3.48Å; N286-E289 PolarHBondContact O-N 2.96Å; N286-E289 VanDerWaalsContact O-N 3.15Å; P287-E289 PolarHBondContact O-N 3.47Å; E289-Y291 PolarHBondContact O-N 3.34Å; E289-L292 PolarHBondContact O-N 2.85Å
290	V	91.8	Very high	91.2	Very high	97 Å²	97	59 Å²	59	59%	0.588	34%	0.342	S	S	*	.	G	3₁₀ helix	trans	-69	-18.7	-179.9	-176.7	0	0	0	0	112.1	L288 I293 R314	L288-V290 VanDerWaalsContact C-N 3.29Å; L288-V290 PolarHBondContact O-N 3.03Å; V290-I293 WeakPolarHBondContact O-CD1 3.22Å; V290-R314 PolarHBondContact O-NH2 2.95Å
291	Y	93.9	Very high	91.1	Very high	48 Å²	48	60.2 Å²	60.2	19%	0.188	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	-27	179.5	-62.2	-87.4	0	0	0	113.1	P287 L288 E289 I293 R314 V315 A318 Y322	P287-Y291 VanDerWaalsContact O-CD2 3.31Å; P287-Y291 WeakPolarHBondContact O-CD2 3.4Å; L288-Y291 PolarHBondContact O-N 2.94Å; E289-Y291 PolarHBondContact O-N 3.34Å; Y291-I293 PolarHBondContact O-N 3.01Å; Y291-R314 HydrophobicContact CD1-CG 3.88Å; Y291-R314 PolarHBondContact O-NH1 3.1Å; Y291-V315 WeakPolarHBondContact O-CG2 3.36Å; Y291-A318 HydrophobicContact CD1-CB 3.85Å; Y291-A318 HydrophobicContact CD2-CB 3.71Å; Y291-A318 HydrophobicContact CE2-CB 4.49Å; Y291-A318 HydrophobicContact CG-CB 3.33Å; Y291-Y322 HydrophobicContact CD2-CE2 4.3Å; Y291-Y322 HydrophobicContact CE2-CD2 4.44Å; Y291-Y322 AromaticContact CE2-CE2 3.77Å; Y291-Y322 HydrophobicContact CE2-CE2 3.77Å
292	L	94	Very high	91	Very high	4 Å²	4	60.4 Å²	60.4	2%	0.021	35%	0.348	C	S	.	.			trans	-78.9	60.7	-177.3	-62	176.6	0	0	0	112.5	R25 L29 L288 E289 V315	R25-L292 VanDerWaalsContact NH1-CB 3.33Å; R25-L292 PolarHBondContact NH1-O 3.31Å; L29-L292 HydrophobicContact CD1-CD1 3.63Å; L29-L292 HydrophobicContact CD1-CD2 4.42Å; L29-L292 HydrophobicContact CD2-CD2 4.08Å; L288-L292 HydrophobicContact CD1-CD2 4.28Å; L288-L292 HydrophobicContact CD1-CG 4.27Å; L288-L292 HydrophobicContact CD2-CD1 4.01Å; L288-L292 HydrophobicContact CG-CD1 3.73Å; L288-L292 HydrophobicContact CG-CD2 4.3Å; L288-L292 HydrophobicContact CG-CG 3.89Å; L288-L292 WeakPolarHBondContact O-CG 3.32Å; L288-L292 PolarHBondContact O-N 3.36Å; E289-L292 PolarHBondContact O-N 2.85Å; L292-V315 HydrophobicContact CD2-CG1 4.02Å
293	I	90.3	Very high	90.9	Very high	61 Å²	61	65.8 Å²	65.8	31%	0.313	37%	0.367	S	S	.	.			trans	-124.7	130.1	-178	-53.4	175.9	0	0	0	108.5	V290 Y291 T295	V290-I293 WeakPolarHBondContact O-CD1 3.22Å; Y291-I293 PolarHBondContact O-N 3.01Å; I293-T295 VanDerWaalsContact C-N 3.32Å
294	P	84.6	Confident	91.1	Very high	52 Å²	52	61.5 Å²	61.5	34%	0.338	34%	0.335	S	S	.	.	S	Bend	trans	-75.1	-20.9	-177.9	27.6	-33.7	0	0	0	113.6	L12 T15	L12-P294 HydrophobicContact CD2-CB 3.98Å; T15-P294 WeakPolarHBondContact OG1-CA 3.42Å; T15-P294 WeakPolarHBondContact OG1-CB 3.48Å
295	T	89.9	Confident	91.2	Very high	84 Å²	84	60.9 Å²	60.9	52%	0.515	33%	0.333	S	S	.	.	S	Bend	trans	-101.2	157	-177.6	55.1	0	0	0	0	111.6	I293	I293-T295 VanDerWaalsContact C-N 3.32Å
296	P	89	Confident	91.2	Very high	50 Å²	50	59 Å²	59	33%	0.325	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-54.1	137.1	170.2	-21.1	30.8	0	0	0	111.3	I300 L307 L311	P296-I300 HydrophobicContact CB-CB 4.06Å; P296-I300 HydrophobicContact CB-CG2 4.22Å; P296-L307 HydrophobicContact CG-CD1 4.27Å; P296-L307 HydrophobicContact CG-CD2 3.79Å; P296-L307 HydrophobicContact CG-CG 4.26Å; P296-L311 HydrophobicContact CG-CD1 4.05Å
297	P	90	Very high	91.3	Very high	21 Å²	21	58.6 Å²	58.6	14%	0.136	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-55.1	152.5	167.4	-26.8	36.9	0	0	0	111.6	N299 I300 T375	P297-N299 VanDerWaalsContact CB-OD1 3.23Å; P297-N299 WeakPolarHBondContact CB-OD1 3.32Å; P297-N299 PolarHBondContact O-N 3.12Å; P297-I300 PolarHBondContact O-N 3.29Å; P297-T375 HydrophobicContact CB-CG2 4.48Å
298	E	86.3	Confident	91.4	Very high	195 Å²	195	60.5 Å²	60.5	91%	0.911	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-22.8	-175.6	-65.2	-176.7	175.7	0	0	114.7
299	N	85.5	Confident	91.6	Very high	65 Å²	65	60.7 Å²	60.7	35%	0.348	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	1.7	179.8	62.9	-23.8	0	0	0	114.2	P297 E371 T375	P297-N299 VanDerWaalsContact CB-OD1 3.23Å; P297-N299 WeakPolarHBondContact CB-OD1 3.32Å; P297-N299 PolarHBondContact O-N 3.12Å; N299-E371 WeakPolarHBondContact O-CG 3.36Å; N299-T375 WeakPolarHBondContact ND2-CG2 3.45Å; N299-T375 WeakPolarHBondContact OD1-CG2 3.29Å
300	I	91.3	Very high	91.7	Very high	16 Å²	16	57.3 Å²	57.3	8%	0.082	31%	0.309	C	S	.	.			trans	-95.2	114.4	168	-62.8	-170.5	0	0	0	108.1	P296 P297 F302 L307 E371 T375	P296-I300 HydrophobicContact CB-CB 4.06Å; P296-I300 HydrophobicContact CB-CG2 4.22Å; P297-I300 PolarHBondContact O-N 3.29Å; I300-F302 HydrophobicContact CG2-CD1 4.01Å; I300-F302 HydrophobicContact CG2-CD2 4.41Å; I300-F302 HydrophobicContact CG2-CE1 3.66Å; I300-F302 HydrophobicContact CG2-CE2 4.08Å; I300-F302 HydrophobicContact CG2-CG 4.37Å; I300-F302 HydrophobicContact CG2-CZ 3.69Å; I300-L307 HydrophobicContact CG2-CD1 4.05Å; I300-E371 WeakPolarHBondContact CA-OE2 3.02Å; I300-T375 HydrophobicContact CD1-CG2 4.28Å; I300-T375 HydrophobicContact CG1-CG2 3.92Å
301	T	93	Very high	91.9	Very high	100 Å²	100	52.8 Å²	52.8	61%	0.613	28%	0.282	S	S	*	.			trans	-115.1	-14.9	-178.2	70.4	0	0	0	0	113.5	E371	T301-E371 PolarHBondContact N-OE2 2.89Å; T301-E371 PolarHBondContact OG1-OE1 2.65Å
302	F	91.8	Very high	92.1	Very high	27 Å²	27	50.5 Å²	50.5	12%	0.118	27%	0.273	C	S	.	.			trans	-72.8	149.2	177.5	63.2	-101	0	0	0	112.2	F75 I300 D304 L307 I310 W368 E371 L372	F75-F302 HydrophobicContact CE1-CD1 4.29Å; F75-F302 AromaticContact CE1-CD2 3.61Å; F75-F302 HydrophobicContact CE1-CD2 3.61Å; F75-F302 HydrophobicContact CE1-CE1 4.29Å; F75-F302 AromaticContact CE1-CE2 3.63Å; F75-F302 HydrophobicContact CE1-CE2 3.63Å; F75-F302 AromaticContact CE1-CG 3.98Å; F75-F302 HydrophobicContact CE1-CG 3.98Å; F75-F302 AromaticContact CE1-CZ 3.98Å; F75-F302 HydrophobicContact CE1-CZ 3.98Å; F75-F302 HydrophobicContact CZ-CD2 4.09Å; F75-F302 AromaticContact CZ-CE2 3.61Å; F75-F302 HydrophobicContact CZ-CE2 3.61Å; F75-F302 AromaticContact CZ-CZ 3.86Å; F75-F302 HydrophobicContact CZ-CZ 3.86Å; I300-F302 HydrophobicContact CG2-CD1 4.01Å; I300-F302 HydrophobicContact CG2-CD2 4.41Å; I300-F302 HydrophobicContact CG2-CE1 3.66Å; I300-F302 HydrophobicContact CG2-CE2 4.08Å; I300-F302 HydrophobicContact CG2-CG 4.37Å; I300-F302 HydrophobicContact CG2-CZ 3.69Å; F302-D304 HydrophobicContact CD2-CB 3.97Å; F302-D304 HydrophobicContact CE2-CB 4.23Å; F302-L307 HydrophobicContact CE2-CD1 4.04Å; F302-L307 HydrophobicContact CZ-CD1 4.48Å; F302-I310 HydrophobicContact CE2-CD1 4.22Å; F302-I310 HydrophobicContact CZ-CD1 4.26Å; F302-W368 HydrophobicContact CD1-CB 3.91Å; F302-W368 HydrophobicContact CE1-CB 4.41Å; F302-W368 HydrophobicContact CG-CB 4.35Å; F302-E371 HydrophobicContact CD1-CB 4.49Å; F302-E371 WeakPolarHBondContact CD1-OE2 3.33Å; F302-E371 HydrophobicContact CE1-CB 4.3Å; F302-L372 HydrophobicContact CE1-CD2 4.06Å; F302-L372 HydrophobicContact CE1-CG 4.11Å; F302-L372 HydrophobicContact CZ-CD2 3.78Å; F302-L372 HydrophobicContact CZ-CG 4.19Å
303	E	91.3	Very high	92.3	Very high	193 Å²	193	50.3 Å²	50.3	90%	0.902	27%	0.272	S	S	*	.			trans	-104.2	124.7	166.4	-63.4	-173.4	170	0	0	108.5
304	D	94	Very high	92.6	Very high	19 Å²	19	48.2 Å²	48.2	10%	0.102	26%	0.26	C	S	.	.			trans	-147.6	142.3	178.3	-175.5	-86.8	0	0	0	110	Q74 F75 F302 S306 L307	Q74-D304 WeakPolarHBondContact CA-OD2 3.2Å; Q74-D304 PolarHBondContact N-OD2 3.14Å; F75-D304 HydrophobicContact CE1-CB 4.12Å; F75-D304 HydrophobicContact CZ-CB 4.22Å; F302-D304 HydrophobicContact CD2-CB 3.97Å; F302-D304 HydrophobicContact CE2-CB 4.23Å; D304-S306 PolarHBondContact O-N 3.26Å; D304-S306 VanDerWaalsContact O-N 3.08Å; D304-S306 WeakPolarHBondContact OD1-CA 3.39Å; D304-S306 WeakPolarHBondContact OD1-CB 3.46Å; D304-S306 PolarHBondContact OD1-N 3.08Å; D304-S306 PolarHBondContact OD1-OG 3.03Å; D304-L307 VanDerWaalsContact O-CB 3.31Å; D304-L307 WeakPolarHBondContact O-CB 3.27Å; D304-L307 PolarHBondContact O-N 2.9Å; D304-L307 VanDerWaalsContact O-N 3.07Å
305	P	93.6	Very high	93.2	Very high	69 Å²	69	45.8 Å²	45.8	45%	0.448	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-25.2	178.6	-26.6	35.8	0	0	0	114.4	M72 Q74 L307	M72-P305 HydrophobicContact CE-CB 4.27Å; M72-P305 WeakPolarHBondContact CE-O 3.43Å; Q74-P305 HydrophobicContact CG-CG 4.41Å; P305-L307 VanDerWaalsContact C-N 3.34Å
306	S	94.9	Very high	93.6	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	0.2	-179.8	73.9	0	0	0	0	114.6	L69 D304 D308 V309 I310	L69-S306 WeakPolarHBondContact CD1-OG 3.48Å; D304-S306 PolarHBondContact O-N 3.26Å; D304-S306 VanDerWaalsContact O-N 3.08Å; D304-S306 WeakPolarHBondContact OD1-CA 3.39Å; D304-S306 WeakPolarHBondContact OD1-CB 3.46Å; D304-S306 PolarHBondContact OD1-N 3.08Å; D304-S306 PolarHBondContact OD1-OG 3.03Å; S306-D308 PolarHBondContact O-N 3.02Å; S306-V309 WeakPolarHBondContact O-CA 3.33Å; S306-V309 VanDerWaalsContact O-CB 3.31Å; S306-V309 WeakPolarHBondContact O-CB 3.41Å; S306-V309 PolarHBondContact O-N 3.09Å; S306-I310 PolarHBondContact O-N 2.92Å; S306-I310 WeakPolarHBondContact OG-CD1 3.45Å
307	L	94.3	Very high	94	Very high	34 Å²	34	39.5 Å²	39.5	18%	0.178	21%	0.205	C	C	.	.	H	α-helix	trans	-54.3	-46.3	-173.2	-176.7	59.2	0	0	0	113.7	P296 I300 F302 D304 P305 V309 I310 L311	P296-L307 HydrophobicContact CG-CD1 4.27Å; P296-L307 HydrophobicContact CG-CD2 3.79Å; P296-L307 HydrophobicContact CG-CG 4.26Å; I300-L307 HydrophobicContact CG2-CD1 4.05Å; F302-L307 HydrophobicContact CE2-CD1 4.04Å; F302-L307 HydrophobicContact CZ-CD1 4.48Å; D304-L307 VanDerWaalsContact O-CB 3.31Å; D304-L307 WeakPolarHBondContact O-CB 3.27Å; D304-L307 PolarHBondContact O-N 2.9Å; D304-L307 VanDerWaalsContact O-N 3.07Å; P305-L307 VanDerWaalsContact C-N 3.34Å; L307-V309 PolarHBondContact O-N 3.44Å; L307-I310 WeakPolarHBondContact O-CB 3.31Å; L307-I310 PolarHBondContact O-N 3.5Å; L307-I310 VanDerWaalsContact O-N 3.16Å; L307-L311 HydrophobicContact CD1-CG 4.42Å; L307-L311 HydrophobicContact CG-CD1 4.5Å; L307-L311 WeakPolarHBondContact O-CG 3.12Å; L307-L311 PolarHBondContact O-N 3.5Å
308	D	94.3	Very high	94.3	Very high	64 Å²	64	38.5 Å²	38.5	34%	0.342	20%	0.198	S	C	.	.	H	α-helix	trans	-61.3	-34.2	176.9	-79.4	-13.2	0	0	0	112.1	V7 S306 L312	V7-D308 HydrophobicContact CG1-CB 3.97Å; V7-D308 WeakPolarHBondContact CG1-O 3.2Å; S306-D308 PolarHBondContact O-N 3.02Å; D308-L312 WeakPolarHBondContact O-CB 3.49Å; D308-L312 PolarHBondContact O-N 3.3Å
309	V	96.3	Very high	94.8	Very high	4 Å²	4	29.2 Å²	29.2	2%	0.024	16%	0.155	C	C	.	.	H	α-helix	trans	-70.8	-41.1	176.9	-175.4	0	0	0	0	110.4	V7 M65 C68 L69 M72 S306 L307 L312 L313	V7-V309 HydrophobicContact CG1-CG2 4.11Å; V7-V309 HydrophobicContact CG2-CG2 4.41Å; M65-V309 HydrophobicContact CB-CG1 4.26Å; M65-V309 VanDerWaalsContact O-CG1 3.29Å; M65-V309 WeakPolarHBondContact O-CG1 3.47Å; C68-V309 HydrophobicContact CB-CG1 4.29Å; C68-V309 HydrophobicContact CB-CG2 4.46Å; L69-V309 HydrophobicContact CB-CG1 4Å; M72-V309 HydrophobicContact SD-CG2 4.05Å; S306-V309 WeakPolarHBondContact O-CA 3.33Å; S306-V309 VanDerWaalsContact O-CB 3.31Å; S306-V309 WeakPolarHBondContact O-CB 3.41Å; S306-V309 PolarHBondContact O-N 3.09Å; L307-V309 PolarHBondContact O-N 3.44Å; V309-L312 PolarHBondContact O-N 2.94Å; V309-L313 HydrophobicContact CG1-CD1 4Å; V309-L313 WeakPolarHBondContact O-CB 3.05Å; V309-L313 WeakPolarHBondContact O-CG 3.2Å; V309-L313 PolarHBondContact O-N 2.93Å
310	I	96.5	Very high	95.4	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-58.8	-49.2	174.6	-70	170.2	0	0	0	110.3	L69 F75 F302 S306 L307 L312 L313 R314 L372 F379	L69-I310 HydrophobicContact CD1-CD1 4.05Å; L69-I310 HydrophobicContact CD1-CG1 3.64Å; L69-I310 HydrophobicContact CD2-CG1 4.44Å; F75-I310 HydrophobicContact CE2-CD1 4.06Å; F75-I310 HydrophobicContact CZ-CD1 3.79Å; F302-I310 HydrophobicContact CE2-CD1 4.22Å; F302-I310 HydrophobicContact CZ-CD1 4.26Å; S306-I310 PolarHBondContact O-N 2.92Å; S306-I310 WeakPolarHBondContact OG-CD1 3.45Å; L307-I310 WeakPolarHBondContact O-CB 3.31Å; L307-I310 PolarHBondContact O-N 3.5Å; L307-I310 VanDerWaalsContact O-N 3.16Å; I310-L312 PolarHBondContact O-N 3.44Å; I310-L313 PolarHBondContact O-N 2.85Å; I310-R314 WeakPolarHBondContact O-CB 3.49Å; I310-R314 PolarHBondContact O-N 3.4Å; I310-L372 HydrophobicContact CD1-CD2 4.32Å; I310-L372 HydrophobicContact CG2-CD2 4.03Å; I310-F379 HydrophobicContact CG1-CE2 4.44Å; I310-F379 HydrophobicContact CG2-CE2 4.1Å
311	L	95.9	Very high	95.5	Very high	3 Å²	3	26.8 Å²	26.8	2%	0.016	14%	0.14	C	C	.	.	H	α-helix	trans	-64.5	-40.6	179.4	-64.1	179.9	0	0	0	112	L11 P296 L307 R314 V315	L11-L311 HydrophobicContact CD1-CB 4.21Å; L11-L311 HydrophobicContact CD2-CB 3.77Å; L11-L311 HydrophobicContact CD2-CD1 4.16Å; P296-L311 HydrophobicContact CG-CD1 4.05Å; L307-L311 HydrophobicContact CD1-CG 4.42Å; L307-L311 HydrophobicContact CG-CD1 4.5Å; L307-L311 WeakPolarHBondContact O-CG 3.12Å; L307-L311 PolarHBondContact O-N 3.5Å; L311-R314 WeakPolarHBondContact O-CB 3.34Å; L311-R314 PolarHBondContact O-N 2.94Å; L311-V315 WeakPolarHBondContact O-CG2 3.25Å; L311-V315 PolarHBondContact O-N 3.41Å
312	L	97.3	Very high	95.6	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-64.9	-44.8	175.6	-179	60.2	0	0	0	111.8	V7 L10 L11 L14 M65 D308 V309 I310 R314 V315 L316	V7-L312 HydrophobicContact CB-CD2 4.42Å; V7-L312 HydrophobicContact CG1-CB 4.18Å; V7-L312 HydrophobicContact CG1-CD2 3.85Å; L10-L312 HydrophobicContact CD2-CD1 4.18Å; L10-L312 HydrophobicContact CD2-CD2 4.09Å; L10-L312 HydrophobicContact CG-CD1 4.04Å; L11-L312 HydrophobicContact CB-CD1 4.47Å; L14-L312 HydrophobicContact CD1-CD1 4.02Å; M65-L312 HydrophobicContact CG-CD2 4.19Å; M65-L312 HydrophobicContact SD-CD2 3.69Å; D308-L312 WeakPolarHBondContact O-CB 3.49Å; D308-L312 PolarHBondContact O-N 3.3Å; V309-L312 PolarHBondContact O-N 2.94Å; I310-L312 PolarHBondContact O-N 3.44Å; L312-R314 VanDerWaalsContact C-N 3.28Å; L312-R314 PolarHBondContact O-N 3.37Å; L312-V315 PolarHBondContact O-N 3.16Å; L312-V315 VanDerWaalsContact O-N 3.16Å; L312-L316 HydrophobicContact CD1-CD1 4.38Å; L312-L316 HydrophobicContact CD1-CG 4.16Å; L312-L316 HydrophobicContact CG-CD1 4.07Å; L312-L316 HydrophobicContact CG-CG 4.3Å; L312-L316 VanDerWaalsContact O-CG 3.29Å; L312-L316 WeakPolarHBondContact O-CG 3.19Å; L312-L316 PolarHBondContact O-N 3.41Å
313	L	97.8	Very high	95.6	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-60.3	-38.7	175.1	-80.4	164.6	0	0	0	111.8	V62 M65 L69 V309 I310 L316 H317 F341 F378 F379	V62-L313 HydrophobicContact CG1-CD2 4.32Å; M65-L313 HydrophobicContact CB-CD1 4.05Å; M65-L313 HydrophobicContact CB-CD2 3.59Å; M65-L313 HydrophobicContact CB-CG 3.73Å; L69-L313 HydrophobicContact CB-CD1 4.26Å; L69-L313 HydrophobicContact CD2-CD1 3.89Å; V309-L313 HydrophobicContact CG1-CD1 4Å; V309-L313 WeakPolarHBondContact O-CB 3.05Å; V309-L313 WeakPolarHBondContact O-CG 3.2Å; V309-L313 PolarHBondContact O-N 2.93Å; I310-L313 PolarHBondContact O-N 2.85Å; L313-L316 PolarHBondContact O-N 2.99Å; L313-H317 VanDerWaalsContact O-CB 3.26Å; L313-H317 WeakPolarHBondContact O-CB 3.21Å; L313-H317 PolarHBondContact O-N 3.5Å; L313-F341 HydrophobicContact CD2-CD1 4.35Å; L313-F378 HydrophobicContact CB-CE2 4.39Å; L313-F379 HydrophobicContact CB-CE1 4.1Å; L313-F379 HydrophobicContact CB-CZ 3.93Å; L313-F379 HydrophobicContact CD1-CE1 3.77Å; L313-F379 HydrophobicContact CD1-CZ 4Å; L313-F379 HydrophobicContact CG-CE1 4.48Å
314	R	96.9	Very high	95.6	Very high	16 Å²	16	13.6 Å²	13.6	6%	0.06	7%	0.07	C	C	.	.	H	α-helix	trans	-59.9	-44.1	173.2	179.1	177.4	175.7	-90.5	-3.3	112.3	V290 Y291 I310 L311 L312 A318 F378	V290-R314 PolarHBondContact O-NH2 2.95Å; Y291-R314 HydrophobicContact CD1-CG 3.88Å; Y291-R314 PolarHBondContact O-NH1 3.1Å; I310-R314 WeakPolarHBondContact O-CB 3.49Å; I310-R314 PolarHBondContact O-N 3.4Å; L311-R314 WeakPolarHBondContact O-CB 3.34Å; L311-R314 PolarHBondContact O-N 2.94Å; L312-R314 VanDerWaalsContact C-N 3.28Å; L312-R314 PolarHBondContact O-N 3.37Å; R314-A318 WeakPolarHBondContact O-CB 3.29Å; R314-A318 PolarHBondContact O-N 3.39Å; R314-A318 VanDerWaalsContact O-N 3.08Å; R314-F378 HydrophobicContact CB-CE1 4.31Å; R314-F378 HydrophobicContact CB-CZ 4.09Å; R314-F378 HydrophobicContact CG-CE1 4.47Å
315	V	97.7	Very high	95.4	Very high	1 Å²	1	15 Å²	15	1%	0.006	7%	0.074	C	C	.	.	H	α-helix	trans	-67	-45.9	176	170.4	0	0	0	0	111.3	L11 L14 T15 Y291 L292 L311 L312 H317 A318 I319	L11-V315 HydrophobicContact CD1-CG2 3.87Å; L14-V315 HydrophobicContact CB-CG1 3.98Å; L14-V315 HydrophobicContact CD1-CG1 4Å; T15-V315 HydrophobicContact CG2-CG1 4.33Å; T15-V315 HydrophobicContact CG2-CG2 3.63Å; Y291-V315 WeakPolarHBondContact O-CG2 3.36Å; L292-V315 HydrophobicContact CD2-CG1 4.02Å; L311-V315 WeakPolarHBondContact O-CG2 3.25Å; L311-V315 PolarHBondContact O-N 3.41Å; L312-V315 PolarHBondContact O-N 3.16Å; L312-V315 VanDerWaalsContact O-N 3.16Å; V315-H317 PolarHBondContact O-N 2.66Å; V315-A318 PolarHBondContact O-N 2.86Å; V315-I319 HydrophobicContact CG1-CD1 3.74Å; V315-I319 HydrophobicContact CG1-CG1 4.34Å; V315-I319 WeakPolarHBondContact O-CG1 3.46Å; V315-I319 PolarHBondContact O-N 3.22Å
316	L	97.9	Very high	95.2	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-63	-41.2	179.6	-68.7	176.5	0	0	0	112	L14 F32 L58 L61 V62 M65 L312 L313 I319 S320 F341	L14-L316 HydrophobicContact CD1-CD2 4.23Å; F32-L316 HydrophobicContact CE1-CD2 3.98Å; F32-L316 HydrophobicContact CE2-CD2 4.35Å; F32-L316 HydrophobicContact CZ-CD2 3.48Å; F32-L316 VanDerWaalsContact CZ-CD2 3.48Å; L58-L316 HydrophobicContact CD1-CD2 4.16Å; L61-L316 HydrophobicContact CD2-CD1 4Å; L61-L316 HydrophobicContact CD2-CD2 4.11Å; L61-L316 HydrophobicContact CG-CD1 4.09Å; V62-L316 HydrophobicContact CG2-CD1 4.45Å; M65-L316 HydrophobicContact CG-CD1 4.26Å; L312-L316 HydrophobicContact CD1-CD1 4.38Å; L312-L316 HydrophobicContact CD1-CG 4.16Å; L312-L316 HydrophobicContact CG-CD1 4.07Å; L312-L316 HydrophobicContact CG-CG 4.3Å; L312-L316 VanDerWaalsContact O-CG 3.29Å; L312-L316 WeakPolarHBondContact O-CG 3.19Å; L312-L316 PolarHBondContact O-N 3.41Å; L313-L316 PolarHBondContact O-N 2.99Å; L316-I319 PolarHBondContact O-N 3Å; L316-S320 WeakPolarHBondContact O-CB 3.45Å; L316-S320 PolarHBondContact O-N 3.2Å; L316-F341 HydrophobicContact CB-CE1 4.24Å
317	H	97.9	Very high	94.9	Very high	2 Å²	2	13 Å²	13	1%	0.009	6%	0.059	C	C	.	.	H	α-helix	trans	-60.7	-48.1	173.3	172.8	-92.8	0	0	0	111.2	L313 V315 I319 S320 R321 F341 F378 Y696	L313-H317 VanDerWaalsContact O-CB 3.26Å; L313-H317 WeakPolarHBondContact O-CB 3.21Å; L313-H317 PolarHBondContact O-N 3.5Å; V315-H317 PolarHBondContact O-N 2.66Å; H317-I319 PolarHBondContact O-N 3.43Å; H317-S320 WeakPolarHBondContact O-CB 2.69Å; H317-S320 PolarHBondContact O-N 3.18Å; H317-R321 WeakPolarHBondContact O-CB 3.46Å; H317-R321 PolarHBondContact O-N 3.19Å; H317-F341 VanDerWaalsContact CA-CE1 3.48Å; H317-F341 HydrophobicContact CB-CD1 3.78Å; H317-F341 HydrophobicContact CB-CE1 3.68Å; H317-F341 HydrophobicContact CB-CG 4.3Å; H317-F341 HydrophobicContact CB-CZ 4.11Å; H317-F341 AromaticContact CD2-CD2 3.91Å; H317-F341 AromaticContact CD2-CG 3.98Å; H317-F378 HydrophobicContact CB-CD1 3.98Å; H317-F378 HydrophobicContact CB-CD2 4.4Å; H317-F378 HydrophobicContact CB-CE1 3.93Å; H317-F378 HydrophobicContact CB-CE2 4.32Å; H317-F378 HydrophobicContact CB-CG 4.22Å; H317-F378 HydrophobicContact CB-CZ 4.11Å; H317-F378 AromaticContact CD2-CD1 3.83Å; H317-F378 AromaticContact CD2-CG 3.64Å; H317-F378 AromaticContact CE1-CD1 3.74Å; H317-F378 AromaticContact CG-CD1 3.44Å; H317-F378 VanDerWaalsContact CG-CD1 3.44Å; H317-F378 AromaticContact CG-CE1 3.88Å; H317-F378 AromaticContact CG-CG 3.68Å; H317-F378 AromaticContact ND1-CD1 3.38Å; H317-F378 WeakPolarHBondContact ND1-CD1 3.41Å; H317-F378 AromaticContact ND1-CE1 3.88Å; H317-F378 AromaticContact NE2-CD1 4Å; H317-F378 AromaticContact NE2-CG 3.96Å; H317-Y696 AromaticContact CE1-CZ 3.82Å; H317-Y696 PolarHBondContact CE1-OH 3.25Å; H317-Y696 PolarHBondContact NE2-OH 3.22Å
318	A	97.1	Very high	94.2	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-63	-40.9	178.6	0	0	0	0	0	112.5	L288 Y291 R314 V315 R321 Y322	L288-A318 HydrophobicContact CD1-CB 3.85Å; L288-A318 WeakPolarHBondContact CD1-O 3.37Å; Y291-A318 HydrophobicContact CD1-CB 3.85Å; Y291-A318 HydrophobicContact CD2-CB 3.71Å; Y291-A318 HydrophobicContact CE2-CB 4.49Å; Y291-A318 HydrophobicContact CG-CB 3.33Å; R314-A318 WeakPolarHBondContact O-CB 3.29Å; R314-A318 PolarHBondContact O-N 3.39Å; R314-A318 VanDerWaalsContact O-N 3.08Å; V315-A318 PolarHBondContact O-N 2.86Å; A318-R321 PolarHBondContact O-N 2.96Å; A318-Y322 HydrophobicContact CB-CD2 4.35Å; A318-Y322 WeakPolarHBondContact O-CB 3.47Å; A318-Y322 WeakPolarHBondContact O-CD2 3.27Å; A318-Y322 PolarHBondContact O-N 2.56Å
319	I	96.8	Very high	93.6	Very high	1 Å²	1	16.7 Å²	16.7	1%	0.005	8%	0.079	C	C	.	.	H	α-helix	trans	-60.4	-50.9	172.9	-70	169.5	0	0	0	109.6	L14 L29 L33 L288 V315 L316 H317 R321 Y322 W323	L14-I319 HydrophobicContact CD1-CD1 4.18Å; L14-I319 HydrophobicContact CD2-CD1 4.24Å; L29-I319 HydrophobicContact CD2-CD1 3.73Å; L29-I319 HydrophobicContact CD2-CG1 4.29Å; L33-I319 HydrophobicContact CD1-CG2 4.45Å; L33-I319 HydrophobicContact CD2-CG2 3.63Å; L33-I319 HydrophobicContact CG-CG2 4.23Å; L288-I319 HydrophobicContact CD1-CG1 4.09Å; V315-I319 HydrophobicContact CG1-CD1 3.74Å; V315-I319 HydrophobicContact CG1-CG1 4.34Å; V315-I319 WeakPolarHBondContact O-CG1 3.46Å; V315-I319 PolarHBondContact O-N 3.22Å; L316-I319 PolarHBondContact O-N 3Å; H317-I319 PolarHBondContact O-N 3.43Å; I319-R321 PolarHBondContact O-N 3.37Å; I319-Y322 PolarHBondContact O-N 2.8Å; I319-W323 WeakPolarHBondContact O-CA 3.42Å; I319-W323 WeakPolarHBondContact O-CB 3.43Å; I319-W323 PolarHBondContact O-N 3.21Å
320	S	96.2	Very high	93.1	Very high	1 Å²	1	16.7 Å²	16.7	1%	0.007	8%	0.079	C	C	.	.	H	α-helix	trans	-52.5	-42.6	177.4	-176.4	0	0	0	0	112.1	L316 H317 E334 I335 I336	L316-S320 WeakPolarHBondContact O-CB 3.45Å; L316-S320 PolarHBondContact O-N 3.2Å; H317-S320 WeakPolarHBondContact O-CB 2.69Å; H317-S320 PolarHBondContact O-N 3.18Å; S320-E334 CarbonylContact O-C 3.33Å; S320-E334 VanDerWaalsContact O-CA 3.3Å; S320-E334 WeakPolarHBondContact O-CA 3.08Å; S320-I335 PolarHBondContact O-N 3.21Å; S320-I336 PolarHBondContact OG-N 3.31Å; S320-I336 PolarHBondContact OG-O 3.31Å
321	R	94.4	Very high	92.6	Very high	29 Å²	29	18.3 Å²	18.3	11%	0.109	9%	0.087	C	C	.	.	H	α-helix	trans	-81.6	-31.9	-174.6	-171	172.9	174.6	97	4.8	114.6	H317 A318 I319 Y324 E698	H317-R321 WeakPolarHBondContact O-CB 3.46Å; H317-R321 PolarHBondContact O-N 3.19Å; A318-R321 PolarHBondContact O-N 2.96Å; I319-R321 PolarHBondContact O-N 3.37Å; R321-Y324 WeakPolarHBondContact O-CE1 3.47Å; R321-E698 IonicContact CZ-OE1 2.85Å; R321-E698 IonicContact NH1-OE1 2.94Å; R321-E698 PolarHBondContact NH1-OE1 3.18Å; R321-E698 IonicContact NH2-OE1 3.5Å; R321-E698 PolarHBondContact NH2-OE1 3.45Å; R321-E698 IonicContact NH2-OE2 3.99Å; R321-E698 PolarHBondContact NH2-OE2 3.44Å
322	Y	94.6	Very high	92.2	Very high	18 Å²	18	20.7 Å²	20.7	7%	0.071	10%	0.104	C	C	.	.	H	α-helix	trans	-123.8	12.5	-170.4	-55.7	-61.6	0	0	0	113.9	P287 Y291 A318 I319 Y324 Y325	P287-Y322 HydrophobicContact CB-CD1 3.9Å; P287-Y322 HydrophobicContact CB-CD2 4.23Å; P287-Y322 HydrophobicContact CB-CE1 3.88Å; P287-Y322 HydrophobicContact CB-CE2 4.2Å; P287-Y322 HydrophobicContact CB-CG 4.09Å; P287-Y322 HydrophobicContact CG-CD1 4.26Å; P287-Y322 HydrophobicContact CG-CE1 4.34Å; Y291-Y322 HydrophobicContact CD2-CE2 4.3Å; Y291-Y322 HydrophobicContact CE2-CD2 4.44Å; Y291-Y322 AromaticContact CE2-CE2 3.77Å; Y291-Y322 HydrophobicContact CE2-CE2 3.77Å; A318-Y322 HydrophobicContact CB-CD2 4.35Å; A318-Y322 WeakPolarHBondContact O-CB 3.47Å; A318-Y322 WeakPolarHBondContact O-CD2 3.27Å; A318-Y322 PolarHBondContact O-N 2.56Å; I319-Y322 PolarHBondContact O-N 2.8Å; Y322-Y324 PolarHBondContact O-N 3.38Å; Y322-Y325 HydrophobicContact CD1-CE2 4.25Å; Y322-Y325 PolarHBondContact O-N 3.42Å; Y322-Y325 VanDerWaalsContact O-N 3.08Å
323	W	92.9	Very high	91.8	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.128	C	C	.	.	G	3₁₀ helix	trans	-54.1	-29.2	-178.5	73.4	-76.3	0	0	0	113.8	L33 F37 V50 I319 Y325 L326 Y327 A330 K333 I335	L33-W323 HydrophobicContact CD1-CB 3.94Å; F37-W323 AromaticContact CE1-CD2 3.95Å; F37-W323 HydrophobicContact CE1-CD2 3.95Å; F37-W323 AromaticContact CE1-CE3 3.82Å; F37-W323 HydrophobicContact CE1-CE3 3.82Å; F37-W323 AromaticContact CE1-CH2 3.88Å; F37-W323 HydrophobicContact CE1-CH2 3.88Å; F37-W323 HydrophobicContact CE1-CZ2 4.02Å; F37-W323 AromaticContact CE1-CZ3 3.79Å; F37-W323 HydrophobicContact CE1-CZ3 3.79Å; F37-W323 HydrophobicContact CZ-CD2 4.46Å; F37-W323 HydrophobicContact CZ-CH2 4.21Å; F37-W323 AromaticContact CZ-CZ2 3.99Å; F37-W323 HydrophobicContact CZ-CZ2 3.99Å; V50-W323 HydrophobicContact CB-CH2 3.84Å; V50-W323 HydrophobicContact CB-CZ3 4.11Å; V50-W323 HydrophobicContact CG1-CH2 3.58Å; V50-W323 HydrophobicContact CG1-CZ3 3.68Å; I319-W323 WeakPolarHBondContact O-CA 3.42Å; I319-W323 WeakPolarHBondContact O-CB 3.43Å; I319-W323 PolarHBondContact O-N 3.21Å; W323-Y325 PolarHBondContact O-N 2.9Å; W323-L326 VanDerWaalsContact O-CB 3.25Å; W323-L326 WeakPolarHBondContact O-CB 3.22Å; W323-L326 PolarHBondContact O-N 3.19Å; W323-Y327 AromaticContact CE3-CD2 3.68Å; W323-Y327 HydrophobicContact CE3-CD2 3.68Å; W323-Y327 HydrophobicContact CE3-CE2 4.04Å; W323-Y327 AromaticContact CZ3-CD2 3.77Å; W323-Y327 HydrophobicContact CZ3-CD2 3.77Å; W323-Y327 HydrophobicContact CZ3-CE2 4.25Å; W323-Y327 HydrophobicContact CZ3-CG 4.43Å; W323-A330 HydrophobicContact CE3-CB 4.21Å; W323-A330 HydrophobicContact CH2-CB 3.45Å; W323-A330 VanDerWaalsContact CH2-CB 3.45Å; W323-A330 HydrophobicContact CZ2-CB 4.02Å; W323-A330 HydrophobicContact CZ3-CB 3.55Å; W323-K333 PolarHBondContact NE1-O 2.98Å; W323-I335 HydrophobicContact CB-CD1 3.83Å; W323-I335 HydrophobicContact CB-CG1 4.41Å; W323-I335 HydrophobicContact CD2-CD1 4.2Å; W323-I335 HydrophobicContact CD2-CG1 4.23Å; W323-I335 HydrophobicContact CG-CD1 3.63Å; W323-I335 HydrophobicContact CG-CG1 3.75Å
324	Y	90.1	Very high	91.5	Very high	25 Å²	25	29.5 Å²	29.5	10%	0.098	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-64.7	-20.2	-178.5	53.9	-98.3	0	0	0	113	R321 Y322 L326 Y327 C332	R321-Y324 WeakPolarHBondContact O-CE1 3.47Å; Y322-Y324 PolarHBondContact O-N 3.38Å; Y324-L326 PolarHBondContact O-N 2.7Å; Y324-Y327 PolarHBondContact O-N 3.06Å; Y324-C332 HydrophobicContact CD1-CB 4.48Å; Y324-C332 HydrophobicContact CD2-CB 4.38Å; Y324-C332 HydrophobicContact CE1-CB 4.47Å; Y324-C332 HydrophobicContact CE2-CB 4.4Å; Y324-C332 VanDerWaalsContact CE2-SG 3.54Å; Y324-C332 HydrophobicContact CG-CB 4.44Å
325	Y	90.6	Very high	91.3	Very high	48 Å²	48	29 Å²	29	19%	0.188	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-71.1	-7.8	170	-73.7	-86	0	0	0	113.7	N286 P287 Y322 W323 S570 T572	N286-Y325 WeakPolarHBondContact OD1-CB 3.43Å; P287-Y325 HydrophobicContact CG-CD2 4.47Å; P287-Y325 HydrophobicContact CG-CE2 3.72Å; Y322-Y325 HydrophobicContact CD1-CE2 4.25Å; Y322-Y325 PolarHBondContact O-N 3.42Å; Y322-Y325 VanDerWaalsContact O-N 3.08Å; W323-Y325 PolarHBondContact O-N 2.9Å; Y325-S570 PolarHBondContact OH-O 3.32Å; Y325-T572 HydrophobicContact CE1-CG2 3.89Å
326	L	89.9	Confident	91.2	Very high	13 Å²	13	29 Å²	29	7%	0.068	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-90.2	-11.1	174.8	-58.7	171.9	0	0	0	112.5	E26 L29 K30 L33 L288 W323 Y324	E26-L326 HydrophobicContact CG-CD2 4.43Å; L29-L326 HydrophobicContact CB-CD1 3.97Å; L29-L326 HydrophobicContact CD1-CD1 4.46Å; L29-L326 HydrophobicContact CD1-CD2 4.12Å; K30-L326 WeakPolarHBondContact CE-O 3.13Å; K30-L326 PolarHBondContact NZ-O 2.82Å; K30-L326 VanDerWaalsContact NZ-O 3.11Å; L33-L326 HydrophobicContact CD1-CD1 3.65Å; L288-L326 HydrophobicContact CD2-CD1 4.14Å; L288-L326 HydrophobicContact CD2-CD2 4.07Å; L288-L326 HydrophobicContact CD2-CG 4.14Å; W323-L326 VanDerWaalsContact O-CB 3.25Å; W323-L326 WeakPolarHBondContact O-CB 3.22Å; W323-L326 PolarHBondContact O-N 3.19Å; Y324-L326 PolarHBondContact O-N 2.7Å
327	Y	87.8	Confident	91	Very high	15 Å²	15	31.6 Å²	31.6	6%	0.059	16%	0.158	C	C	.	.	S	Bend	trans	-138.9	118.2	-172.7	-66.1	-84.5	0	0	0	110.8	K30 L33 S39 P40 W323 Y324 N329 A330	K30-Y327 HydrophobicContact CD-CE1 4.48Å; K30-Y327 HydrophobicContact CG-CE1 4.35Å; K30-Y327 HydrophobicContact CG-CE2 4.45Å; L33-Y327 HydrophobicContact CD1-CE2 3.95Å; S39-Y327 WeakPolarHBondContact CB-OH 3.42Å; S39-Y327 PolarHBondContact OG-OH 2.83Å; P40-Y327 HydrophobicContact CB-CE1 4.34Å; P40-Y327 HydrophobicContact CG-CE1 4.37Å; P40-Y327 PolarHBondContact O-OH 3.26Å; P40-Y327 VanDerWaalsContact O-OH 3.13Å; W323-Y327 AromaticContact CE3-CD2 3.68Å; W323-Y327 HydrophobicContact CE3-CD2 3.68Å; W323-Y327 HydrophobicContact CE3-CE2 4.04Å; W323-Y327 AromaticContact CZ3-CD2 3.77Å; W323-Y327 HydrophobicContact CZ3-CD2 3.77Å; W323-Y327 HydrophobicContact CZ3-CE2 4.25Å; W323-Y327 HydrophobicContact CZ3-CG 4.43Å; Y324-Y327 PolarHBondContact O-N 3.06Å; Y327-N329 PolarHBondContact O-N 3.44Å; Y327-A330 PolarHBondContact O-N 3.21Å; Y327-A330 VanDerWaalsContact O-N 3.11Å
328	D	79	Confident	90.8	Very high	141 Å²	141	32.8 Å²	32.8	75%	0.754	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-16.6	-173.9	-65.2	-14	0	0	0	115.6
329	N	81.5	Confident	90.7	Very high	33 Å²	33	36.1 Å²	36.1	18%	0.176	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-129.1	29.4	179.3	-160.1	32.1	0	0	0	112.9	G48 R49 V50 Y327 R595	G48-N329 PolarHBondContact O-ND2 2.8Å; R49-N329 WeakPolarHBondContact CA-ND2 3.28Å; R49-N329 WeakPolarHBondContact CA-O 3.47Å; R49-N329 WeakPolarHBondContact CG-O 3.47Å; R49-N329 PolarHBondContact N-ND2 2.92Å; V50-N329 PolarHBondContact N-O 2.77Å; Y327-N329 PolarHBondContact O-N 3.44Å; N329-R595 PolarHBondContact OD1-NH2 3.49Å
330	A	87.1	Confident	90.7	Very high	4 Å²	4	39.4 Å²	39.4	3%	0.033	20%	0.204	C	C	.	.	B	Isolated β-bridge	trans	-77.8	149.2	174.3	0	0	0	0	0	112.2	V50 W323 Y327	V50-A330 HydrophobicContact CB-CB 4.35Å; W323-A330 HydrophobicContact CE3-CB 4.21Å; W323-A330 HydrophobicContact CH2-CB 3.45Å; W323-A330 VanDerWaalsContact CH2-CB 3.45Å; W323-A330 HydrophobicContact CZ2-CB 4.02Å; W323-A330 HydrophobicContact CZ3-CB 3.55Å; Y327-A330 PolarHBondContact O-N 3.21Å; Y327-A330 VanDerWaalsContact O-N 3.11Å
331	M	86.1	Confident	90.8	Very high	35 Å²	35	39.4 Å²	39.4	17%	0.172	20%	0.204	C	C	.	.			trans	-71.9	131	168.8	-176.4	165.8	60.6	0	0	110.3	V50 E51 P52 K333	V50-M331 PolarHBondContact O-N 3.46Å; E51-M331 HydrophobicContact CB-CE 4.36Å; E51-M331 HydrophobicContact CG-CE 4.19Å; P52-M331 HydrophobicContact CG-CE 3.97Å; M331-K333 HydrophobicContact CE-CB 3.99Å; M331-K333 HydrophobicContact CE-CD 3.69Å; M331-K333 HydrophobicContact CE-CG 4.48Å; M331-K333 HydrophobicContact CG-CB 4.07Å; M331-K333 PolarHBondContact O-N 3.35Å
332	C	86.8	Confident	91	Very high	53 Å²	53	41 Å²	41	36%	0.358	21%	0.214	S	C	.	.	S	Bend	trans	-70.9	73	173.2	-168.9	0	0	0	0	110.7	Y324 H574	Y324-C332 HydrophobicContact CD1-CB 4.48Å; Y324-C332 HydrophobicContact CD2-CB 4.38Å; Y324-C332 HydrophobicContact CE1-CB 4.47Å; Y324-C332 HydrophobicContact CE2-CB 4.4Å; Y324-C332 VanDerWaalsContact CE2-SG 3.54Å; Y324-C332 HydrophobicContact CG-CB 4.44Å; C332-H574 HydrophobicContact CB-CB 4.16Å
333	K	87.8	Confident	91.2	Very high	118 Å²	118	40.2 Å²	40.2	51%	0.513	21%	0.211	S	C	.	.	S	Bend	trans	-143.7	141	179	-173.4	178.8	178	-178	0	108.8	P52 W323 M331	P52-K333 HydrophobicContact CG-CB 4.39Å; P52-K333 HydrophobicContact CG-CD 3.96Å; P52-K333 HydrophobicContact CG-CG 4.34Å; W323-K333 PolarHBondContact NE1-O 2.98Å; M331-K333 HydrophobicContact CE-CB 3.99Å; M331-K333 HydrophobicContact CE-CD 3.69Å; M331-K333 HydrophobicContact CE-CG 4.48Å; M331-K333 HydrophobicContact CG-CB 4.07Å; M331-K333 PolarHBondContact O-N 3.35Å
334	E	91.9	Very high	91.4	Very high	66 Å²	66	44.8 Å²	44.8	31%	0.308	24%	0.243	S	C	.	.			trans	-62	146	173.8	64.9	-172.4	168.2	0	0	111.6	S320 P337 T338	S320-E334 CarbonylContact O-C 3.33Å; S320-E334 VanDerWaalsContact O-CA 3.3Å; S320-E334 WeakPolarHBondContact O-CA 3.08Å; E334-P337 VanDerWaalsContact CD-CA 3.49Å; E334-P337 WeakPolarHBondContact OE1-CA 3.1Å; E334-T338 PolarHBondContact OE2-N 2.95Å; E334-T338 PolarHBondContact OE2-OG1 3.04Å
335	I	94.2	Very high	91.8	Very high	5 Å²	5	47.5 Å²	47.5	3%	0.026	26%	0.255	C	S	.	.	S	Bend	trans	-71.3	-45.8	176.4	-60.2	177.8	0	0	0	110.4	L33 F37 H55 L58 S320 W323	L33-I335 HydrophobicContact CD2-CD1 3.59Å; F37-I335 HydrophobicContact CB-CD1 4.38Å; F37-I335 HydrophobicContact CD1-CD1 3.75Å; F37-I335 HydrophobicContact CD1-CG1 4.34Å; F37-I335 HydrophobicContact CD2-CB 4.29Å; F37-I335 HydrophobicContact CD2-CD1 4.09Å; F37-I335 HydrophobicContact CD2-CG1 4.14Å; F37-I335 HydrophobicContact CD2-CG2 3.26Å; F37-I335 HydrophobicContact CE1-CD1 3.9Å; F37-I335 HydrophobicContact CE1-CG1 4.07Å; F37-I335 HydrophobicContact CE2-CB 4.09Å; F37-I335 HydrophobicContact CE2-CD1 4.21Å; F37-I335 HydrophobicContact CE2-CG1 3.83Å; F37-I335 HydrophobicContact CE2-CG2 3.4Å; F37-I335 HydrophobicContact CG-CD1 3.82Å; F37-I335 HydrophobicContact CG-CG1 4.34Å; F37-I335 HydrophobicContact CG-CG2 3.99Å; F37-I335 HydrophobicContact CZ-CB 4.49Å; F37-I335 HydrophobicContact CZ-CD1 4.08Å; F37-I335 HydrophobicContact CZ-CG1 3.75Å; F37-I335 HydrophobicContact CZ-CG2 4.23Å; H55-I335 HydrophobicContact CB-CG2 3.59Å; L58-I335 HydrophobicContact CD2-CB 4.26Å; L58-I335 HydrophobicContact CD2-CD1 4.29Å; L58-I335 HydrophobicContact CD2-CG2 3.75Å; S320-I335 PolarHBondContact O-N 3.21Å; W323-I335 HydrophobicContact CB-CD1 3.83Å; W323-I335 HydrophobicContact CB-CG1 4.41Å; W323-I335 HydrophobicContact CD2-CD1 4.2Å; W323-I335 HydrophobicContact CD2-CG1 4.23Å; W323-I335 HydrophobicContact CG-CD1 3.63Å; W323-I335 HydrophobicContact CG-CG1 3.75Å
336	I	94.7	Very high	92.1	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.005	25%	0.246	C	C	.	.	S	Bend	trans	-128.9	135.1	179.3	-56.1	179.3	0	0	0	108	H55 L58 L59 V62 S320 E340 F341	H55-I336 HydrophobicContact CB-CG1 4.1Å; L58-I336 HydrophobicContact CB-CD1 3.86Å; L58-I336 HydrophobicContact CD2-CD1 3.77Å; L58-I336 HydrophobicContact CD2-CG1 4.17Å; L58-I336 HydrophobicContact CG-CD1 3.54Å; L58-I336 HydrophobicContact CG-CG1 4.45Å; L59-I336 VanDerWaalsContact CA-CD1 3.5Å; L59-I336 HydrophobicContact CB-CD1 3.86Å; L59-I336 HydrophobicContact CD1-CD1 4.24Å; L59-I336 HydrophobicContact CD1-CG2 3.81Å; V62-I336 HydrophobicContact CG2-CD1 4.3Å; S320-I336 PolarHBondContact OG-N 3.31Å; S320-I336 PolarHBondContact OG-O 3.31Å; I336-E340 HydrophobicContact CG2-CB 3.55Å; I336-E340 HydrophobicContact CG2-CG 3.55Å; I336-F341 HydrophobicContact CB-CE2 4.2Å; I336-F341 HydrophobicContact CG2-CE2 4.21Å
337	P	93.5	Very high	92.5	Very high	56 Å²	56	45.3 Å²	45.3	36%	0.364	25%	0.248	S	C	.	.			trans	-52.2	138.6	173	-27.2	35.9	0	0	0	113.8	E334 S339 E340	E334-P337 VanDerWaalsContact CD-CA 3.49Å; E334-P337 WeakPolarHBondContact OE1-CA 3.1Å; P337-S339 PolarHBondContact O-N 2.75Å; P337-S339 VanDerWaalsContact O-N 3.07Å; P337-E340 WeakPolarHBondContact O-CB 3.03Å; P337-E340 PolarHBondContact O-N 3.33Å
338	T	94.4	Very high	92.9	Very high	26 Å²	26	47.6 Å²	47.6	16%	0.16	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-53.9	-29.8	175.6	-61.1	0	0	0	0	112.6	E334 E340 F341 F378 Y696	E334-T338 PolarHBondContact OE2-N 2.95Å; E334-T338 PolarHBondContact OE2-OG1 3.04Å; T338-E340 PolarHBondContact O-N 2.86Å; T338-F341 WeakPolarHBondContact O-CB 3.41Å; T338-F341 PolarHBondContact O-N 2.97Å; T338-F378 HydrophobicContact CG2-CB 3.79Å; T338-Y696 HydrophobicContact CG2-CE2 4.19Å
339	S	95.2	Very high	93.7	Very high	71 Å²	71	42.8 Å²	42.8	50%	0.497	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-59.2	-28.8	177	55.8	0	0	0	0	114.3	P337 F341 I342	P337-S339 PolarHBondContact O-N 2.75Å; P337-S339 VanDerWaalsContact O-N 3.07Å; S339-F341 PolarHBondContact O-N 2.85Å; S339-I342 WeakPolarHBondContact O-CB 3.37Å; S339-I342 WeakPolarHBondContact O-CG1 3.3Å; S339-I342 PolarHBondContact O-N 2.91Å
340	E	96.9	Very high	94.3	Very high	70 Å²	70	41.2 Å²	41.2	33%	0.327	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-71.9	-14.1	178.4	-63.1	-62.6	152.9	0	0	113	L59 H63 N66 I336 P337 T338	L59-E340 HydrophobicContact CD1-CB 3.9Å; L59-E340 HydrophobicContact CD1-CG 3.79Å; H63-E340 IonicContact CD2-OE2 3.87Å; H63-E340 IonicContact CE1-OE2 2.74Å; H63-E340 IonicContact NE2-OE2 3.1Å; H63-E340 PolarHBondContact NE2-OE2 2.89Å; N66-E340 PolarHBondContact ND2-O 3.26Å; I336-E340 HydrophobicContact CG2-CB 3.55Å; I336-E340 HydrophobicContact CG2-CG 3.55Å; P337-E340 WeakPolarHBondContact O-CB 3.03Å; P337-E340 PolarHBondContact O-N 3.33Å; T338-E340 PolarHBondContact O-N 2.86Å
341	F	97.9	Very high	94.6	Very high	1 Å²	1	43.2 Å²	43.2	0%	0.004	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-91.6	-9.1	177	-67	-97.5	0	0	0	113.1	V62 N66 L313 L316 H317 I336 T338 S339 N343 F378	V62-F341 HydrophobicContact CB-CE1 4.29Å; V62-F341 HydrophobicContact CG1-CD1 3.68Å; V62-F341 HydrophobicContact CG1-CD2 4.45Å; V62-F341 HydrophobicContact CG1-CE1 3.67Å; V62-F341 HydrophobicContact CG1-CE2 4.45Å; V62-F341 HydrophobicContact CG1-CG 4.09Å; V62-F341 HydrophobicContact CG1-CZ 4.08Å; V62-F341 HydrophobicContact CG2-CD1 4.38Å; V62-F341 HydrophobicContact CG2-CE1 3.53Å; V62-F341 HydrophobicContact CG2-CZ 3.62Å; N66-F341 PolarHBondContact ND2-O 3.36Å; N66-F341 VanDerWaalsContact ND2-O 3.12Å; L313-F341 HydrophobicContact CD2-CD1 4.35Å; L316-F341 HydrophobicContact CB-CE1 4.24Å; H317-F341 VanDerWaalsContact CA-CE1 3.48Å; H317-F341 HydrophobicContact CB-CD1 3.78Å; H317-F341 HydrophobicContact CB-CE1 3.68Å; H317-F341 HydrophobicContact CB-CG 4.3Å; H317-F341 HydrophobicContact CB-CZ 4.11Å; H317-F341 AromaticContact CD2-CD2 3.91Å; H317-F341 AromaticContact CD2-CG 3.98Å; I336-F341 HydrophobicContact CB-CE2 4.2Å; I336-F341 HydrophobicContact CG2-CE2 4.21Å; T338-F341 WeakPolarHBondContact O-CB 3.41Å; T338-F341 PolarHBondContact O-N 2.97Å; S339-F341 PolarHBondContact O-N 2.85Å; F341-N343 PolarHBondContact O-N 2.89Å; F341-F378 CarbonylContact C-O 3.38Å; F341-F378 HydrophobicContact CB-CB 4.26Å; F341-F378 HydrophobicContact CB-CD2 3.59Å; F341-F378 HydrophobicContact CB-CE2 4.35Å; F341-F378 HydrophobicContact CB-CG 4.27Å; F341-F378 HydrophobicContact CD1-CD2 4.4Å; F341-F378 HydrophobicContact CD1-CE2 4.48Å; F341-F378 HydrophobicContact CG-CD2 4.31Å
342	I	98.4	Very high	94.8	Very high	61 Å²	61	47.9 Å²	47.9	31%	0.313	26%	0.259	S	S	.	.			trans	-60.9	130.7	-179.9	-67.2	171.7	0	0	0	110.2	S339 P381	S339-I342 WeakPolarHBondContact O-CB 3.37Å; S339-I342 WeakPolarHBondContact O-CG1 3.3Å; S339-I342 PolarHBondContact O-N 2.91Å; I342-P381 HydrophobicContact CD1-CB 4.48Å; I342-P381 HydrophobicContact CD1-CG 4.23Å; I342-P381 HydrophobicContact CG2-CG 4.03Å
343	N	98.5	Very high	94.9	Very high	3 Å²	3	45.4 Å²	45.4	2%	0.016	24%	0.243	C	C	.	.			trans	-101.9	109.5	175.6	-165.4	-78.2	0	0	0	110.3	N66 L69 S70 F341 K345 L346 T347 F379	N66-N343 PolarHBondContact O-ND2 3.2Å; N66-N343 PolarHBondContact OD1-ND2 2.93Å; N66-N343 VanDerWaalsContact OD1-ND2 3.13Å; L69-N343 HydrophobicContact CD2-CB 4.45Å; S70-N343 PolarHBondContact OG-ND2 2.94Å; S70-N343 PolarHBondContact OG-OD1 3.25Å; F341-N343 PolarHBondContact O-N 2.89Å; N343-K345 VanDerWaalsContact C-N 3.34Å; N343-K345 PolarHBondContact O-N 3.44Å; N343-K345 PolarHBondContact OD1-N 3.42Å; N343-L346 HydrophobicContact CB-CB 4.11Å; N343-L346 HydrophobicContact CB-CD1 4.16Å; N343-L346 HydrophobicContact CB-CG 4.12Å; N343-L346 PolarHBondContact O-N 3.28Å; N343-L346 PolarHBondContact OD1-N 3.14Å; N343-T347 WeakPolarHBondContact O-CB 3.44Å; N343-T347 PolarHBondContact O-N 2.91Å; N343-T347 PolarHBondContact O-OG1 2.91Å; N343-F379 HydrophobicContact CB-CD1 4.11Å; N343-F379 PolarHBondContact N-O 3.43Å
344	S	97.5	Very high	95.1	Very high	95 Å²	95	39.8 Å²	39.8	66%	0.664	22%	0.218	S	C	*	.	H	α-helix	trans	-63.3	-36.9	-176.3	58.1	0	0	0	0	113.2	T347 A348	S344-T347 PolarHBondContact O-N 3.2Å; S344-A348 WeakPolarHBondContact O-CB 3.2Å; S344-A348 PolarHBondContact O-N 3.27Å
345	K	97.4	Very high	94.8	Very high	82 Å²	82	41.5 Å²	41.5	36%	0.357	23%	0.226	S	C	.	.	H	α-helix	trans	-67.4	-48.1	178.5	-166.1	-175.4	-174.3	-152.5	0	111.3	S70 E73 N343 T347 A348 K349	S70-K345 WeakPolarHBondContact O-CD 3.41Å; S70-K345 WeakPolarHBondContact O-CE 3.39Å; S70-K345 PolarHBondContact O-NZ 3.15Å; E73-K345 HydrophobicContact CG-CD 4.33Å; E73-K345 WeakPolarHBondContact OE1-CD 3.42Å; E73-K345 WeakPolarHBondContact OE1-CE 3.44Å; E73-K345 IonicContact OE1-NZ 3.3Å; E73-K345 PolarHBondContact OE1-NZ 3.04Å; N343-K345 VanDerWaalsContact C-N 3.34Å; N343-K345 PolarHBondContact O-N 3.44Å; N343-K345 PolarHBondContact OD1-N 3.42Å; K345-T347 VanDerWaalsContact C-N 3.31Å; K345-T347 PolarHBondContact O-N 2.9Å; K345-A348 PolarHBondContact O-N 3.2Å; K345-K349 WeakPolarHBondContact O-CG 3.48Å; K345-K349 PolarHBondContact O-N 2.81Å
346	L	97.8	Very high	94.2	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-62.6	-40	174.9	-64.9	-174	0	0	0	111.6	L69 E73 F75 N343 A348 K349 A350 L372 F379 F380	L69-L346 HydrophobicContact CD1-CD1 4.46Å; L69-L346 HydrophobicContact CD2-CD1 3.85Å; L69-L346 HydrophobicContact CG-CD1 4.28Å; E73-L346 HydrophobicContact CB-CD2 4.25Å; E73-L346 HydrophobicContact CG-CD2 3.9Å; F75-L346 HydrophobicContact CD2-CD2 3.56Å; F75-L346 HydrophobicContact CE2-CD2 3.98Å; N343-L346 HydrophobicContact CB-CB 4.11Å; N343-L346 HydrophobicContact CB-CD1 4.16Å; N343-L346 HydrophobicContact CB-CG 4.12Å; N343-L346 PolarHBondContact O-N 3.28Å; N343-L346 PolarHBondContact OD1-N 3.14Å; L346-A348 PolarHBondContact O-N 2.89Å; L346-K349 PolarHBondContact O-N 2.91Å; L346-A350 WeakPolarHBondContact O-CB 3.48Å; L346-A350 PolarHBondContact O-N 3.13Å; L346-L372 HydrophobicContact CD1-CD1 4.19Å; L346-F379 HydrophobicContact CD1-CD2 4.37Å; L346-F379 HydrophobicContact CD1-CG 4.34Å; L346-F380 HydrophobicContact CB-CE1 4Å
347	T	97.8	Very high	93.5	Very high	15 Å²	15	42.4 Å²	42.4	9%	0.092	23%	0.231	C	C	.	.	H	α-helix	trans	-60.3	-44.7	176	-61.3	0	0	0	0	111.6	N343 S344 K345 K349 A350 N351 F379 P381	N343-T347 WeakPolarHBondContact O-CB 3.44Å; N343-T347 PolarHBondContact O-N 2.91Å; N343-T347 PolarHBondContact O-OG1 2.91Å; S344-T347 PolarHBondContact O-N 3.2Å; K345-T347 VanDerWaalsContact C-N 3.31Å; K345-T347 PolarHBondContact O-N 2.9Å; T347-K349 PolarHBondContact O-N 3.39Å; T347-A350 PolarHBondContact O-N 2.97Å; T347-N351 WeakPolarHBondContact O-CB 3.45Å; T347-N351 PolarHBondContact O-N 3.37Å; T347-F379 PolarHBondContact OG1-O 3.13Å; T347-P381 HydrophobicContact CG2-CG 3.94Å; T347-P381 WeakPolarHBondContact OG1-CD 3.24Å
348	A	95.9	Very high	92.7	Very high	63 Å²	63	39.9 Å²	39.9	52%	0.521	22%	0.215	S	C	.	.	H	α-helix	trans	-62.3	-41.3	176.1	0	0	0	0	0	112.2	S344 K345 L346 R352	S344-A348 WeakPolarHBondContact O-CB 3.2Å; S344-A348 PolarHBondContact O-N 3.27Å; K345-A348 PolarHBondContact O-N 3.2Å; L346-A348 PolarHBondContact O-N 2.89Å; A348-R352 WeakPolarHBondContact O-CB 3.46Å; A348-R352 PolarHBondContact O-N 3.43Å
349	K	95.8	Very high	92.1	Very high	40 Å²	40	38.7 Å²	38.7	17%	0.174	21%	0.208	C	C	.	.	H	α-helix	trans	-63.7	-44.8	174.6	-69.7	-168.7	168.3	-172.6	0	112.1	E73 F75 V77 K345 L346 T347 R352 Q353 W368	E73-K349 WeakPolarHBondContact OE1-CE 3.42Å; E73-K349 IonicContact OE1-NZ 2.79Å; E73-K349 PolarHBondContact OE1-NZ 3.11Å; E73-K349 WeakPolarHBondContact OE2-CE 3.42Å; E73-K349 IonicContact OE2-NZ 2.68Å; E73-K349 PolarHBondContact OE2-NZ 3.2Å; F75-K349 PolarHBondContact O-NZ 2.84Å; V77-K349 HydrophobicContact CG2-CB 3.62Å; V77-K349 HydrophobicContact CG2-CD 3.72Å; V77-K349 HydrophobicContact CG2-CG 3.53Å; K345-K349 WeakPolarHBondContact O-CG 3.48Å; K345-K349 PolarHBondContact O-N 2.81Å; L346-K349 PolarHBondContact O-N 2.91Å; T347-K349 PolarHBondContact O-N 3.39Å; K349-R352 PolarHBondContact O-N 3.02Å; K349-Q353 PolarHBondContact O-N 3.19Å; K349-W368 HydrophobicContact CB-CH2 4.09Å; K349-W368 HydrophobicContact CB-CZ2 4.35Å
350	A	95.9	Very high	91.5	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-60.7	-51.9	177.2	0	0	0	0	0	111.4	L346 T347 R352 Q353 L354 L369 F380 T384	L346-A350 WeakPolarHBondContact O-CB 3.48Å; L346-A350 PolarHBondContact O-N 3.13Å; T347-A350 PolarHBondContact O-N 2.97Å; A350-R352 VanDerWaalsContact C-N 3.28Å; A350-R352 PolarHBondContact O-N 3.28Å; A350-Q353 WeakPolarHBondContact O-CB 3.42Å; A350-Q353 PolarHBondContact O-N 2.84Å; A350-L354 WeakPolarHBondContact O-CB 3.43Å; A350-L354 VanDerWaalsContact O-CG 3.31Å; A350-L354 WeakPolarHBondContact O-CG 3.4Å; A350-L354 PolarHBondContact O-N 2.92Å; A350-L369 HydrophobicContact CB-CD1 3.46Å; A350-L369 VanDerWaalsContact CB-CD1 3.46Å; A350-L369 HydrophobicContact CB-CD2 4.2Å; A350-F380 HydrophobicContact CB-CD1 4.1Å; A350-F380 HydrophobicContact CB-CE1 3.75Å; A350-T384 HydrophobicContact CB-CG2 3.86Å
351	N	93.4	Very high	90.7	Very high	47 Å²	47	33 Å²	33	25%	0.251	17%	0.173	S	C	.	.	H	α-helix	trans	-61.3	-37.3	179.2	-72.9	-18.9	0	0	0	111.7	T347 Q353 L354 Q355 T384	T347-N351 WeakPolarHBondContact O-CB 3.45Å; T347-N351 PolarHBondContact O-N 3.37Å; N351-Q353 VanDerWaalsContact C-N 3.26Å; N351-Q353 PolarHBondContact O-N 3.45Å; N351-L354 PolarHBondContact O-N 2.68Å; N351-Q355 VanDerWaalsContact O-CB 3.26Å; N351-Q355 WeakPolarHBondContact O-CB 3.42Å; N351-Q355 VanDerWaalsContact O-CG 3.28Å; N351-Q355 WeakPolarHBondContact O-CG 3.24Å; N351-Q355 PolarHBondContact O-N 3.44Å; N351-T384 PolarHBondContact ND2-OG1 3.36Å; N351-T384 WeakPolarHBondContact OD1-CG2 3.32Å; N351-T384 PolarHBondContact OD1-OG1 3Å
352	R	89.4	Confident	89.7	Confident	132 Å²	132	33.1 Å²	33.1	50%	0.498	17%	0.174	S	C	.	.	H	α-helix	trans	-60.5	-33.9	175	-174.6	160.4	-179.3	173.4	9.6	113.1	V77 V79 A348 K349 A350	V77-R352 HydrophobicContact CG1-CB 4.22Å; V77-R352 HydrophobicContact CG1-CG 3.8Å; V79-R352 VanDerWaalsContact CG2-CZ 3.43Å; V79-R352 VanDerWaalsContact CG2-NE 3.34Å; V79-R352 VanDerWaalsContact CG2-NH2 3.29Å; A348-R352 WeakPolarHBondContact O-CB 3.46Å; A348-R352 PolarHBondContact O-N 3.43Å; K349-R352 PolarHBondContact O-N 3.02Å; A350-R352 VanDerWaalsContact C-N 3.28Å; A350-R352 PolarHBondContact O-N 3.28Å
353	Q	89.5	Confident	88.7	Confident	1 Å²	1	32.3 Å²	32.3	1%	0.005	18%	0.181	C	C	.	.	H	α-helix	trans	-78	-43.2	174.1	-65.6	-63.8	-40.7	0	0	112	V77 K78 K349 A350 N351 Q355 D356 P366 L369	V77-Q353 VanDerWaalsContact CA-NE2 3.32Å; K78-Q353 PolarHBondContact O-NE2 3.12Å; K349-Q353 PolarHBondContact O-N 3.19Å; A350-Q353 WeakPolarHBondContact O-CB 3.42Å; A350-Q353 PolarHBondContact O-N 2.84Å; N351-Q353 VanDerWaalsContact C-N 3.26Å; N351-Q353 PolarHBondContact O-N 3.45Å; Q353-Q355 PolarHBondContact O-N 3.07Å; Q353-D356 PolarHBondContact O-N 3.4Å; Q353-P366 HydrophobicContact CG-CG 3.96Å; Q353-L369 HydrophobicContact CB-CD2 4.29Å
354	L	90.8	Very high	87.9	Confident	1 Å²	1	35.7 Å²	35.7	1%	0.005	20%	0.199	C	C	.	.	H	α-helix	trans	-74.8	-13.6	-175.3	-67.4	169.9	0	0	0	113.8	A350 N351 I365 L369 T384 M387 L388 V391	A350-L354 WeakPolarHBondContact O-CB 3.43Å; A350-L354 VanDerWaalsContact O-CG 3.31Å; A350-L354 WeakPolarHBondContact O-CG 3.4Å; A350-L354 PolarHBondContact O-N 2.92Å; N351-L354 PolarHBondContact O-N 2.68Å; L354-I365 HydrophobicContact CD2-CD1 4.13Å; L354-L369 HydrophobicContact CD1-CD2 4.3Å; L354-L369 HydrophobicContact CD2-CD2 4.32Å; L354-L369 HydrophobicContact CG-CD2 4.08Å; L354-T384 HydrophobicContact CD1-CG2 4.13Å; L354-M387 HydrophobicContact CB-CG 3.87Å; L354-M387 HydrophobicContact CD1-CB 4.34Å; L354-M387 HydrophobicContact CD1-CG 4.47Å; L354-M387 VanDerWaalsContact O-CE 3.27Å; L354-M387 WeakPolarHBondContact O-CE 3.38Å; L354-L388 HydrophobicContact CD1-CB 3.97Å; L354-L388 HydrophobicContact CD2-CB 4.27Å; L354-L388 HydrophobicContact CD2-CD1 3.93Å; L354-V391 HydrophobicContact CD2-CB 4.15Å; L354-V391 HydrophobicContact CD2-CG1 4.48Å; L354-V391 HydrophobicContact CD2-CG2 4.07Å
355	Q	86.3	Confident	87.5	Confident	102 Å²	102	32.2 Å²	32.2	48%	0.477	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100	-2.6	174.4	-68.9	177.3	-19	0	0	113.2	N351 Q353 P357	N351-Q355 VanDerWaalsContact O-CB 3.26Å; N351-Q355 WeakPolarHBondContact O-CB 3.42Å; N351-Q355 VanDerWaalsContact O-CG 3.28Å; N351-Q355 WeakPolarHBondContact O-CG 3.24Å; N351-Q355 PolarHBondContact O-N 3.44Å; Q353-Q355 PolarHBondContact O-N 3.07Å; Q355-P357 VanDerWaalsContact O-CD 3.28Å; Q355-P357 WeakPolarHBondContact O-CD 3.33Å
356	D	81.6	Confident	87.2	Confident	21 Å²	21	29.4 Å²	29.4	11%	0.112	16%	0.163	C	C	.	.			trans	-85.6	110.4	176.9	-173.1	-32.6	0	0	0	109.8	H80 Q353 L358 V359 I360	H80-D356 IonicContact CD2-OD1 3.15Å; H80-D356 IonicContact CD2-OD2 3.75Å; H80-D356 PolarHBondContact CD2-OD2 2.73Å; H80-D356 VanDerWaalsContact CD2-OD2 3.3Å; H80-D356 IonicContact CG-OD2 3.68Å; Q353-D356 PolarHBondContact O-N 3.4Å; D356-L358 PolarHBondContact O-N 3.37Å; D356-L358 WeakPolarHBondContact OD1-CB 3.18Å; D356-L358 PolarHBondContact OD1-N 3.3Å; D356-V359 HydrophobicContact CB-CB 3.95Å; D356-V359 HydrophobicContact CB-CG2 3.68Å; D356-V359 PolarHBondContact O-N 2.85Å; D356-V359 PolarHBondContact OD1-N 2.86Å; D356-I360 PolarHBondContact O-N 3.18Å
357	P	79.1	Confident	86.9	Confident	3 Å²	3	33.6 Å²	33.6	2%	0.019	19%	0.189	C	C	.	.	H	α-helix	trans	-61.2	-31.3	-177.6	-17.5	28.9	0	0	0	113.1	L96 Q355 I360 M361 M400 L403	L96-P357 HydrophobicContact CD1-CB 3.39Å; L96-P357 HydrophobicContact CD1-CG 3.87Å; L96-P357 HydrophobicContact CD2-CB 4.07Å; L96-P357 HydrophobicContact CG-CB 3.87Å; Q355-P357 VanDerWaalsContact O-CD 3.28Å; Q355-P357 WeakPolarHBondContact O-CD 3.33Å; P357-I360 PolarHBondContact O-N 3.45Å; P357-M361 WeakPolarHBondContact O-CB 3.45Å; P357-M361 VanDerWaalsContact O-CG 3.3Å; P357-M361 WeakPolarHBondContact O-CG 3.46Å; P357-M361 PolarHBondContact O-N 3.21Å; P357-M400 HydrophobicContact CB-CE 3.72Å; P357-M400 HydrophobicContact CB-SD 4.29Å; P357-M400 WeakPolarHBondContact O-CE 3.16Å; P357-L403 HydrophobicContact CB-CD2 3.98Å; P357-L403 HydrophobicContact CG-CD2 3.82Å
358	L	77.9	Confident	86.8	Confident	3 Å²	3	33.2 Å²	33.2	2%	0.016	19%	0.185	C	C	.	.	H	α-helix	trans	-73.5	-38.2	-179.2	-177.1	61	0	0	0	110.9	H80 F99 L130 P221 D356 I360 M361 T362	H80-L358 HydrophobicContact CB-CD2 4.24Å; F99-L358 HydrophobicContact CD2-CD1 3.77Å; F99-L358 HydrophobicContact CE2-CD1 3.32Å; F99-L358 HydrophobicContact CE2-CD2 3.75Å; F99-L358 HydrophobicContact CE2-CG 4.2Å; F99-L358 HydrophobicContact CZ-CD1 3.87Å; F99-L358 HydrophobicContact CZ-CD2 4.32Å; L130-L358 HydrophobicContact CD2-CD1 4.48Å; P221-L358 HydrophobicContact CB-CD2 4.02Å; D356-L358 PolarHBondContact O-N 3.37Å; D356-L358 WeakPolarHBondContact OD1-CB 3.18Å; D356-L358 PolarHBondContact OD1-N 3.3Å; L358-I360 VanDerWaalsContact C-N 3.3Å; L358-I360 PolarHBondContact O-N 2.89Å; L358-M361 PolarHBondContact O-N 3.26Å; L358-T362 HydrophobicContact CD1-CG2 3.88Å; L358-T362 HydrophobicContact CG-CG2 4.38Å; L358-T362 WeakPolarHBondContact O-CB 3.47Å; L358-T362 VanDerWaalsContact O-CG2 3.32Å; L358-T362 WeakPolarHBondContact O-CG2 3.31Å; L358-T362 PolarHBondContact O-N 3.37Å; L358-T362 PolarHBondContact O-OG1 2.95Å
359	V	81.9	Confident	86.7	Confident	2 Å²	2	30.2 Å²	30.2	1%	0.012	16%	0.161	C	C	.	.	H	α-helix	trans	-60.5	-42.3	173.2	176.5	0	0	0	0	110.4	D356 T362 G363 N364 I365	D356-V359 HydrophobicContact CB-CB 3.95Å; D356-V359 HydrophobicContact CB-CG2 3.68Å; D356-V359 PolarHBondContact O-N 2.85Å; D356-V359 PolarHBondContact OD1-N 2.86Å; V359-T362 PolarHBondContact O-OG1 3.31Å; V359-G363 WeakPolarHBondContact O-CA 3.42Å; V359-G363 PolarHBondContact O-N 3.31Å; V359-N364 PolarHBondContact O-N 2.92Å; V359-I365 HydrophobicContact CG1-CD1 3.54Å; V359-I365 HydrophobicContact CG1-CG1 4.32Å
360	I	83	Confident	86.7	Confident	2 Å²	2	29.8 Å²	29.8	1%	0.01	16%	0.161	C	C	.	.	H	α-helix	trans	-65.5	-51.5	176.6	-62.2	179.3	0	0	0	111.5	D356 P357 L358 T362 G363 M387 V391 A399 L403	D356-I360 PolarHBondContact O-N 3.18Å; P357-I360 PolarHBondContact O-N 3.45Å; L358-I360 VanDerWaalsContact C-N 3.3Å; L358-I360 PolarHBondContact O-N 2.89Å; I360-T362 VanDerWaalsContact C-N 3.28Å; I360-T362 PolarHBondContact O-N 2.68Å; I360-G363 PolarHBondContact O-N 3.35Å; I360-M387 HydrophobicContact CD1-CE 3.77Å; I360-V391 HydrophobicContact CD1-CG2 3.85Å; I360-V391 HydrophobicContact CG1-CG1 4.03Å; I360-V391 HydrophobicContact CG1-CG2 3.98Å; I360-V391 HydrophobicContact CG2-CG1 4.4Å; I360-A399 HydrophobicContact CG2-CB 3.55Å; I360-L403 HydrophobicContact CD1-CB 3.93Å; I360-L403 HydrophobicContact CD1-CD1 4.34Å; I360-L403 HydrophobicContact CD1-CD2 3.74Å; I360-L403 HydrophobicContact CD1-CG 4.2Å
361	M	78.5	Confident	86.6	Confident	19 Å²	19	30.8 Å²	30.8	9%	0.094	17%	0.166	C	C	.	.	H	α-helix	trans	-66.6	-29.6	-176.6	-70.6	-58.7	-70.2	0	0	113.3	L96 L130 P357 L358 R396 M400	L96-M361 HydrophobicContact CD2-CG 4.4Å; L130-M361 HydrophobicContact CB-CE 4.46Å; L130-M361 HydrophobicContact CD1-CB 4.19Å; L130-M361 HydrophobicContact CD1-CE 4.07Å; L130-M361 HydrophobicContact CD1-CG 4.32Å; L130-M361 HydrophobicContact CD2-CB 4.18Å; P357-M361 WeakPolarHBondContact O-CB 3.45Å; P357-M361 VanDerWaalsContact O-CG 3.3Å; P357-M361 WeakPolarHBondContact O-CG 3.46Å; P357-M361 PolarHBondContact O-N 3.21Å; L358-M361 PolarHBondContact O-N 3.26Å; M361-R396 WeakPolarHBondContact O-CD 3.19Å; M361-R396 VanDerWaalsContact O-CZ 3.27Å; M361-R396 PolarHBondContact O-NE 3.1Å; M361-R396 VanDerWaalsContact O-NE 3.15Å; M361-R396 PolarHBondContact O-NH1 3.35Å; M361-R396 HydrophobicContact SD-CB 4.35Å; M361-M400 HydrophobicContact CG-CE 3.21Å; M361-M400 HydrophobicContact SD-CB 4.03Å; M361-M400 HydrophobicContact SD-CE 3.48Å; M361-M400 WeakPolarHBondContact SD-CE 3.43Å; M361-M400 HydrophobicContact SD-CG 4.28Å
362	T	77.5	Confident	86.8	Confident	3 Å²	3	28.6 Å²	28.6	2%	0.018	15%	0.154	C	C	.	.	H	α-helix	trans	-84.7	-15.7	173.1	59.9	0	0	0	0	111.7	Q199 L358 V359 I360 N364 R396	Q199-T362 PolarHBondContact NE2-O 3.44Å; Q199-T362 PolarHBondContact OE1-O 3.23Å; L358-T362 HydrophobicContact CD1-CG2 3.88Å; L358-T362 HydrophobicContact CG-CG2 4.38Å; L358-T362 WeakPolarHBondContact O-CB 3.47Å; L358-T362 VanDerWaalsContact O-CG2 3.32Å; L358-T362 WeakPolarHBondContact O-CG2 3.31Å; L358-T362 PolarHBondContact O-N 3.37Å; L358-T362 PolarHBondContact O-OG1 2.95Å; V359-T362 PolarHBondContact O-OG1 3.31Å; I360-T362 VanDerWaalsContact C-N 3.28Å; I360-T362 PolarHBondContact O-N 2.68Å; T362-N364 PolarHBondContact O-N 3.01Å; T362-N364 PolarHBondContact OG1-ND2 2.85Å; T362-R396 PolarHBondContact O-NH2 3.3Å
363	G	78.3	Confident	87	Confident	45 Å²	45	22.3 Å²	22.3	46%	0.464	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.7	20.8	-174	0	0	0	0	0	113.3	V359 I360 I365	V359-G363 WeakPolarHBondContact O-CA 3.42Å; V359-G363 PolarHBondContact O-N 3.31Å; I360-G363 PolarHBondContact O-N 3.35Å; G363-I365 PolarHBondContact O-N 2.92Å; G363-I365 VanDerWaalsContact O-N 3.08Å
364	N	81.5	Confident	87.2	Confident	73 Å²	73	25.7 Å²	25.7	39%	0.39	15%	0.145	S	C	.	.			trans	-85.4	43.9	-177.2	-76	-28.1	0	0	0	112.3	Q199 V359 T362	Q199-N364 PolarHBondContact NE2-ND2 2.72Å; Q199-N364 PolarHBondContact NE2-OD1 3.41Å; V359-N364 PolarHBondContact O-N 2.92Å; T362-N364 PolarHBondContact O-N 3.01Å; T362-N364 PolarHBondContact OG1-ND2 2.85Å
365	I	88.3	Confident	87.3	Confident	23 Å²	23	26.1 Å²	26.1	12%	0.118	15%	0.148	C	C	.	.			trans	-67.5	129.8	176.8	-61.2	-70.3	0	0	0	108.9	L354 V359 G363 T367 L369 T370 L388 V391	L354-I365 HydrophobicContact CD2-CD1 4.13Å; V359-I365 HydrophobicContact CG1-CD1 3.54Å; V359-I365 HydrophobicContact CG1-CG1 4.32Å; G363-I365 PolarHBondContact O-N 2.92Å; G363-I365 VanDerWaalsContact O-N 3.08Å; I365-T367 PolarHBondContact O-N 3.25Å; I365-L369 HydrophobicContact CG2-CB 4.44Å; I365-L369 HydrophobicContact CG2-CD2 4.09Å; I365-T370 HydrophobicContact CG2-CG2 3.8Å; I365-L388 HydrophobicContact CG2-CD1 4.25Å; I365-V391 HydrophobicContact CD1-CG1 3.52Å; I365-V391 HydrophobicContact CG1-CG1 3.56Å
366	P	91	Very high	87.7	Confident	22 Å²	22	21.3 Å²	21.3	14%	0.143	13%	0.126	C	C	.	.			trans	-56.1	133.9	179.3	-27	35.5	0	0	0	112.2	Q353 W368 L369 T370	Q353-P366 HydrophobicContact CG-CG 3.96Å; P366-W368 VanDerWaalsContact C-N 3.29Å; P366-W368 VanDerWaalsContact CB-CD1 3.41Å; P366-W368 HydrophobicContact CB-CG 4.21Å; P366-W368 PolarHBondContact O-N 3.47Å; P366-L369 WeakPolarHBondContact O-CB 3.44Å; P366-L369 PolarHBondContact O-N 3.47Å; P366-T370 PolarHBondContact O-N 3.2Å
367	T	91.3	Very high	88.4	Confident	88 Å²	88	20.8 Å²	20.8	54%	0.54	12%	0.124	S	C	.	.	H	α-helix	trans	-56.4	-44.9	-178.1	50.6	0	0	0	0	111.4	I365 L369 T370 E371	I365-T367 PolarHBondContact O-N 3.25Å; T367-L369 PolarHBondContact O-N 2.91Å; T367-L369 VanDerWaalsContact O-N 3.09Å; T367-T370 PolarHBondContact O-N 2.84Å; T367-T370 PolarHBondContact O-OG1 2.91Å; T367-E371 WeakPolarHBondContact O-CG 3.4Å; T367-E371 PolarHBondContact O-N 3.25Å
368	W	94.9	Very high	89.3	Confident	7 Å²	7	20.8 Å²	20.8	3%	0.027	12%	0.123	C	C	.	.	H	α-helix	trans	-50.8	-37.5	176.9	73.1	-104	0	0	0	112.9	F75 P76 F302 K349 P366 L372 F380	F75-W368 HydrophobicContact CB-CD2 3.79Å; F75-W368 HydrophobicContact CB-CE3 4.2Å; F75-W368 HydrophobicContact CB-CG 4.17Å; F75-W368 HydrophobicContact CB-CH2 4.5Å; F75-W368 HydrophobicContact CB-CZ2 4.09Å; F75-W368 HydrophobicContact CD1-CB 3.56Å; F75-W368 AromaticContact CD1-CD2 3.75Å; F75-W368 HydrophobicContact CD1-CD2 3.75Å; F75-W368 HydrophobicContact CD1-CE3 4.1Å; F75-W368 AromaticContact CD1-CG 3.5Å; F75-W368 HydrophobicContact CD1-CG 3.5Å; F75-W368 HydrophobicContact CD2-CE3 4.27Å; F75-W368 HydrophobicContact CE1-CB 3.75Å; F75-W368 HydrophobicContact CE1-CG 4.19Å; F75-W368 HydrophobicContact CG-CB 4.49Å; F75-W368 AromaticContact CG-CD2 3.79Å; F75-W368 HydrophobicContact CG-CD2 3.79Å; F75-W368 AromaticContact CG-CE3 3.92Å; F75-W368 HydrophobicContact CG-CE3 3.92Å; F75-W368 HydrophobicContact CG-CG 4.04Å; P76-W368 PolarHBondContact O-NE1 2.95Å; P76-W368 VanDerWaalsContact O-NE1 3.16Å; F302-W368 HydrophobicContact CD1-CB 3.91Å; F302-W368 HydrophobicContact CE1-CB 4.41Å; F302-W368 HydrophobicContact CG-CB 4.35Å; K349-W368 HydrophobicContact CB-CH2 4.09Å; K349-W368 HydrophobicContact CB-CZ2 4.35Å; P366-W368 VanDerWaalsContact C-N 3.29Å; P366-W368 VanDerWaalsContact CB-CD1 3.41Å; P366-W368 HydrophobicContact CB-CG 4.21Å; P366-W368 PolarHBondContact O-N 3.47Å; W368-L372 HydrophobicContact CE3-CD1 3.88Å; W368-L372 HydrophobicContact CZ3-CD1 4.26Å; W368-L372 VanDerWaalsContact O-CB 3.29Å; W368-L372 WeakPolarHBondContact O-CB 3.45Å; W368-L372 WeakPolarHBondContact O-CG 3.32Å; W368-L372 PolarHBondContact O-N 2.94Å; W368-F380 HydrophobicContact CZ3-CZ 4.32Å
369	L	95.8	Very high	90.2	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-70.7	-43	-178.7	178.1	56.7	0	0	0	110.6	A350 Q353 L354 I365 P366 T367 G373 F380 L388	A350-L369 HydrophobicContact CB-CD1 3.46Å; A350-L369 VanDerWaalsContact CB-CD1 3.46Å; A350-L369 HydrophobicContact CB-CD2 4.2Å; Q353-L369 HydrophobicContact CB-CD2 4.29Å; L354-L369 HydrophobicContact CD1-CD2 4.3Å; L354-L369 HydrophobicContact CD2-CD2 4.32Å; L354-L369 HydrophobicContact CG-CD2 4.08Å; I365-L369 HydrophobicContact CG2-CB 4.44Å; I365-L369 HydrophobicContact CG2-CD2 4.09Å; P366-L369 WeakPolarHBondContact O-CB 3.44Å; P366-L369 PolarHBondContact O-N 3.47Å; T367-L369 PolarHBondContact O-N 2.91Å; T367-L369 VanDerWaalsContact O-N 3.09Å; L369-G373 PolarHBondContact O-N 2.91Å; L369-F380 HydrophobicContact CD1-CE1 4.14Å; L369-F380 HydrophobicContact CD1-CE2 4.32Å; L369-F380 HydrophobicContact CD1-CZ 3.8Å; L369-L388 HydrophobicContact CD1-CD2 4.17Å; L369-L388 HydrophobicContact CD2-CD1 4.04Å; L369-L388 HydrophobicContact CG-CD1 3.83Å; L369-L388 HydrophobicContact CG-CD2 4.14Å
370	T	94.1	Very high	91	Very high	31 Å²	31	20.7 Å²	20.7	19%	0.19	12%	0.123	C	C	.	.	H	α-helix	trans	-67.2	-38.2	176.4	69.6	0	0	0	0	112.3	I365 P366 T367 K374 T392	I365-T370 HydrophobicContact CG2-CG2 3.8Å; P366-T370 PolarHBondContact O-N 3.2Å; T367-T370 PolarHBondContact O-N 2.84Å; T367-T370 PolarHBondContact O-OG1 2.91Å; T370-K374 VanDerWaalsContact O-CG 3.27Å; T370-K374 WeakPolarHBondContact O-CG 3.48Å; T370-K374 PolarHBondContact O-N 2.68Å; T370-T392 HydrophobicContact CG2-CG2 3.78Å
371	E	95.1	Very high	91.6	Very high	22 Å²	22	22.5 Å²	22.5	10%	0.103	14%	0.135	C	C	.	.	H	α-helix	trans	-70.7	-47.8	-180	-66.6	-177.9	-177	0	0	111.2	N299 I300 T301 F302 T367 K374 T375	N299-E371 WeakPolarHBondContact O-CG 3.36Å; I300-E371 WeakPolarHBondContact CA-OE2 3.02Å; T301-E371 PolarHBondContact N-OE2 2.89Å; T301-E371 PolarHBondContact OG1-OE1 2.65Å; F302-E371 HydrophobicContact CD1-CB 4.49Å; F302-E371 WeakPolarHBondContact CD1-OE2 3.33Å; F302-E371 HydrophobicContact CE1-CB 4.3Å; T367-E371 WeakPolarHBondContact O-CG 3.4Å; T367-E371 PolarHBondContact O-N 3.25Å; E371-K374 PolarHBondContact O-N 2.63Å; E371-T375 WeakPolarHBondContact O-CB 3.44Å; E371-T375 WeakPolarHBondContact O-CG2 3.34Å; E371-T375 PolarHBondContact O-N 2.99Å; E371-T375 PolarHBondContact O-OG1 3.06Å
372	L	95.9	Very high	92.3	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-63.8	-40.9	174.6	-73.1	-173.2	0	0	0	112	F75 F302 I310 L346 W368 K374 T375 C376 F380	F75-L372 HydrophobicContact CE2-CD1 3.87Å; F75-L372 HydrophobicContact CZ-CD1 3.92Å; F302-L372 HydrophobicContact CE1-CD2 4.06Å; F302-L372 HydrophobicContact CE1-CG 4.11Å; F302-L372 HydrophobicContact CZ-CD2 3.78Å; F302-L372 HydrophobicContact CZ-CG 4.19Å; I310-L372 HydrophobicContact CD1-CD2 4.32Å; I310-L372 HydrophobicContact CG2-CD2 4.03Å; L346-L372 HydrophobicContact CD1-CD1 4.19Å; W368-L372 HydrophobicContact CE3-CD1 3.88Å; W368-L372 HydrophobicContact CZ3-CD1 4.26Å; W368-L372 VanDerWaalsContact O-CB 3.29Å; W368-L372 WeakPolarHBondContact O-CB 3.45Å; W368-L372 WeakPolarHBondContact O-CG 3.32Å; W368-L372 PolarHBondContact O-N 2.94Å; L372-K374 PolarHBondContact O-N 2.79Å; L372-T375 PolarHBondContact O-N 2.94Å; L372-C376 CarbonylContact O-C 3.55Å; L372-C376 WeakPolarHBondContact O-CA 3.36Å; L372-C376 PolarHBondContact O-N 3.32Å; L372-F380 HydrophobicContact CB-CE2 3.89Å; L372-F380 HydrophobicContact CB-CZ 4.2Å
373	G	95.4	Very high	93	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-59.4	-31.4	178.4	0	0	0	0	0	113.2	L369 P377 Y694	L369-G373 PolarHBondContact O-N 2.91Å; G373-P377 WeakPolarHBondContact O-CB 3.37Å; G373-Y694 WeakPolarHBondContact O-CD1 3.33Å
374	K	92.7	Very high	93.8	Very high	72 Å²	72	25.5 Å²	25.5	31%	0.313	14%	0.139	S	C	.	.	H	α-helix	trans	-88	-39.2	178.2	-65.2	172.5	176.7	-179.7	0	113.1	T370 E371 L372 Q693 Y694	T370-K374 VanDerWaalsContact O-CG 3.27Å; T370-K374 WeakPolarHBondContact O-CG 3.48Å; T370-K374 PolarHBondContact O-N 2.68Å; E371-K374 PolarHBondContact O-N 2.63Å; L372-K374 PolarHBondContact O-N 2.79Å; K374-Q693 HydrophobicContact CB-CG 4.13Å; K374-Q693 HydrophobicContact CD-CG 4.35Å; K374-Q693 HydrophobicContact CG-CG 3.76Å; K374-Y694 WeakPolarHBondContact CE-OH 3.36Å; K374-Y694 HydrophobicContact CG-CD1 4.23Å; K374-Y694 HydrophobicContact CG-CE1 3.63Å
375	T	93	Very high	94.5	Very high	11 Å²	11	22.3 Å²	22.3	7%	0.067	12%	0.122	C	C	.	.	H	α-helix	trans	-88.4	-34	-173.3	51.8	0	0	0	0	113.9	P297 N299 I300 E371 L372 P377	P297-T375 HydrophobicContact CB-CG2 4.48Å; N299-T375 WeakPolarHBondContact ND2-CG2 3.45Å; N299-T375 WeakPolarHBondContact OD1-CG2 3.29Å; I300-T375 HydrophobicContact CD1-CG2 4.28Å; I300-T375 HydrophobicContact CG1-CG2 3.92Å; E371-T375 WeakPolarHBondContact O-CB 3.44Å; E371-T375 WeakPolarHBondContact O-CG2 3.34Å; E371-T375 PolarHBondContact O-N 2.99Å; E371-T375 PolarHBondContact O-OG1 3.06Å; L372-T375 PolarHBondContact O-N 2.94Å; T375-P377 VanDerWaalsContact C-CD 3.44Å
376	C	95.5	Very high	94.7	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.119	C	C	.	.			trans	-134.8	55.7	-175.5	-59.7	0	0	0	0	110.6	L372 F378 F379	L372-C376 CarbonylContact O-C 3.55Å; L372-C376 WeakPolarHBondContact O-CA 3.36Å; L372-C376 PolarHBondContact O-N 3.32Å; C376-F378 HydrophobicContact CB-CD1 4.5Å; C376-F378 HydrophobicContact CB-CE1 3.82Å; C376-F378 HydrophobicContact CB-CE2 4.43Å; C376-F378 HydrophobicContact CB-CZ 3.77Å; C376-F378 PolarHBondContact O-N 2.97Å; C376-F378 VanDerWaalsContact O-N 3.1Å; C376-F379 HydrophobicContact CB-CD2 3.41Å; C376-F379 VanDerWaalsContact CB-CD2 3.41Å; C376-F379 HydrophobicContact CB-CE2 3.46Å; C376-F379 VanDerWaalsContact CB-CE2 3.46Å; C376-F379 HydrophobicContact CB-CG 4.43Å; C376-F379 PolarHBondContact O-N 2.91Å; C376-F379 VanDerWaalsContact O-N 3.11Å
377	P	96.1	Very high	94.7	Very high	11 Å²	11	21.7 Å²	21.7	7%	0.071	12%	0.117	C	C	.	.	G	3₁₀ helix	trans	-57.5	-29.1	-176.6	18.6	-29.1	0	0	0	113.1	G373 T375 F379 F380 R385 Y694 Y696	G373-P377 WeakPolarHBondContact O-CB 3.37Å; T375-P377 VanDerWaalsContact C-CD 3.44Å; P377-F379 PolarHBondContact O-N 3.42Å; P377-F380 PolarHBondContact O-N 3.25Å; P377-R385 VanDerWaalsContact O-CD 3.24Å; P377-R385 WeakPolarHBondContact O-CD 3.31Å; P377-R385 PolarHBondContact O-NE 2.71Å; P377-Y694 WeakPolarHBondContact CB-O 3.36Å; P377-Y696 HydrophobicContact CG-CE1 4.3Å; P377-Y696 HydrophobicContact CG-CE2 4.4Å
378	F	97	Very high	94.9	Very high	3 Å²	3	17.5 Å²	17.5	1%	0.013	9%	0.091	C	C	.	.	G	3₁₀ helix	trans	-58.4	-17	177.6	59.4	-98.8	0	0	0	115	L313 R314 H317 T338 F341 C376 F380	L313-F378 HydrophobicContact CB-CE2 4.39Å; R314-F378 HydrophobicContact CB-CE1 4.31Å; R314-F378 HydrophobicContact CB-CZ 4.09Å; R314-F378 HydrophobicContact CG-CE1 4.47Å; H317-F378 HydrophobicContact CB-CD1 3.98Å; H317-F378 HydrophobicContact CB-CD2 4.4Å; H317-F378 HydrophobicContact CB-CE1 3.93Å; H317-F378 HydrophobicContact CB-CE2 4.32Å; H317-F378 HydrophobicContact CB-CG 4.22Å; H317-F378 HydrophobicContact CB-CZ 4.11Å; H317-F378 AromaticContact CD2-CD1 3.83Å; H317-F378 AromaticContact CD2-CG 3.64Å; H317-F378 AromaticContact CE1-CD1 3.74Å; H317-F378 AromaticContact CG-CD1 3.44Å; H317-F378 VanDerWaalsContact CG-CD1 3.44Å; H317-F378 AromaticContact CG-CE1 3.88Å; H317-F378 AromaticContact CG-CG 3.68Å; H317-F378 AromaticContact ND1-CD1 3.38Å; H317-F378 WeakPolarHBondContact ND1-CD1 3.41Å; H317-F378 AromaticContact ND1-CE1 3.88Å; H317-F378 AromaticContact NE2-CD1 4Å; H317-F378 AromaticContact NE2-CG 3.96Å; T338-F378 HydrophobicContact CG2-CB 3.79Å; F341-F378 CarbonylContact C-O 3.38Å; F341-F378 HydrophobicContact CB-CB 4.26Å; F341-F378 HydrophobicContact CB-CD2 3.59Å; F341-F378 HydrophobicContact CB-CE2 4.35Å; F341-F378 HydrophobicContact CB-CG 4.27Å; F341-F378 HydrophobicContact CD1-CD2 4.4Å; F341-F378 HydrophobicContact CD1-CE2 4.48Å; F341-F378 HydrophobicContact CG-CD2 4.31Å; C376-F378 HydrophobicContact CB-CD1 4.5Å; C376-F378 HydrophobicContact CB-CE1 3.82Å; C376-F378 HydrophobicContact CB-CE2 4.43Å; C376-F378 HydrophobicContact CB-CZ 3.77Å; C376-F378 PolarHBondContact O-N 2.97Å; C376-F378 VanDerWaalsContact O-N 3.1Å; F378-F380 PolarHBondContact O-N 3.48Å
379	F	98.1	Very high	94.9	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.09	C	C	.	.	G	3₁₀ helix	trans	-68.6	-21.5	173.8	-74.5	-44.2	0	0	0	113.5	L69 I310 L313 N343 L346 T347 C376 P377	L69-F379 HydrophobicContact CD2-CD1 4.13Å; L69-F379 HydrophobicContact CD2-CE1 3.5Å; L69-F379 HydrophobicContact CD2-CE2 4.31Å; L69-F379 HydrophobicContact CD2-CZ 3.62Å; I310-F379 HydrophobicContact CG1-CE2 4.44Å; I310-F379 HydrophobicContact CG2-CE2 4.1Å; L313-F379 HydrophobicContact CB-CE1 4.1Å; L313-F379 HydrophobicContact CB-CZ 3.93Å; L313-F379 HydrophobicContact CD1-CE1 3.77Å; L313-F379 HydrophobicContact CD1-CZ 4Å; L313-F379 HydrophobicContact CG-CE1 4.48Å; N343-F379 HydrophobicContact CB-CD1 4.11Å; N343-F379 PolarHBondContact N-O 3.43Å; L346-F379 HydrophobicContact CD1-CD2 4.37Å; L346-F379 HydrophobicContact CD1-CG 4.34Å; T347-F379 PolarHBondContact OG1-O 3.13Å; C376-F379 HydrophobicContact CB-CD2 3.41Å; C376-F379 VanDerWaalsContact CB-CD2 3.41Å; C376-F379 HydrophobicContact CB-CE2 3.46Å; C376-F379 VanDerWaalsContact CB-CE2 3.46Å; C376-F379 HydrophobicContact CB-CG 4.43Å; C376-F379 PolarHBondContact O-N 2.91Å; C376-F379 VanDerWaalsContact O-N 3.11Å; P377-F379 PolarHBondContact O-N 3.42Å
380	F	98	Very high	94.7	Very high	3 Å²	3	17.8 Å²	17.8	1%	0.013	9%	0.092	C	C	.	.	S	Bend	trans	-117.9	135.2	-171.4	-56.4	-67.1	0	0	0	110.5	L346 A350 W368 L369 L372 P377 F378 T384 R385	L346-F380 HydrophobicContact CB-CE1 4Å; A350-F380 HydrophobicContact CB-CD1 4.1Å; A350-F380 HydrophobicContact CB-CE1 3.75Å; W368-F380 HydrophobicContact CZ3-CZ 4.32Å; L369-F380 HydrophobicContact CD1-CE1 4.14Å; L369-F380 HydrophobicContact CD1-CE2 4.32Å; L369-F380 HydrophobicContact CD1-CZ 3.8Å; L372-F380 HydrophobicContact CB-CE2 3.89Å; L372-F380 HydrophobicContact CB-CZ 4.2Å; P377-F380 PolarHBondContact O-N 3.25Å; F378-F380 PolarHBondContact O-N 3.48Å; F380-T384 HydrophobicContact CB-CG2 4.06Å; F380-T384 HydrophobicContact CD1-CG2 4.02Å; F380-T384 HydrophobicContact CG-CG2 4.27Å; F380-R385 HydrophobicContact CB-CG 3.64Å; F380-R385 PolarHBondContact O-NE 3.07Å; F380-R385 VanDerWaalsContact O-NE 3.09Å
381	P	95.9	Very high	94.6	Very high	40 Å²	40	17 Å²	17	26%	0.26	9%	0.088	S	C	.	.			trans	-55.2	158.2	169.3	-20.9	31.1	0	0	0	111.8	I342 T347 D383 T384 R385	I342-P381 HydrophobicContact CD1-CB 4.48Å; I342-P381 HydrophobicContact CD1-CG 4.23Å; I342-P381 HydrophobicContact CG2-CG 4.03Å; T347-P381 HydrophobicContact CG2-CG 3.94Å; T347-P381 WeakPolarHBondContact OG1-CD 3.24Å; P381-D383 VanDerWaalsContact C-N 3.29Å; P381-D383 PolarHBondContact O-N 2.9Å; P381-T384 PolarHBondContact O-N 3.31Å; P381-R385 PolarHBondContact O-N 2.73Å; P381-R385 VanDerWaalsContact O-N 3.09Å
382	F	93.7	Very high	94.3	Very high	22 Å²	22	18.1 Å²	18.1	10%	0.096	10%	0.096	C	C	.	.	H	α-helix	trans	-51.8	-46.7	178.9	179.7	-91.9	0	0	0	112.2	T384 R385 Q386 F695 E699 Q702 L703 V764	F382-T384 PolarHBondContact O-N 2.7Å; F382-R385 CarbonylContact O-C 3.51Å; F382-R385 PolarHBondContact O-N 2.82Å; F382-R385 VanDerWaalsContact O-N 3.15Å; F382-Q386 HydrophobicContact CE1-CB 4.27Å; F382-Q386 HydrophobicContact CE1-CG 4.46Å; F382-Q386 WeakPolarHBondContact O-CB 3.47Å; F382-Q386 PolarHBondContact O-N 3.22Å; F382-F695 AromaticContact CD2-CD1 3.96Å; F382-F695 HydrophobicContact CD2-CD1 3.96Å; F382-F695 HydrophobicContact CD2-CE1 4.16Å; F382-F695 AromaticContact CE2-CD1 3.52Å; F382-F695 HydrophobicContact CE2-CD1 3.52Å; F382-F695 AromaticContact CE2-CE1 3.67Å; F382-F695 HydrophobicContact CE2-CE1 3.67Å; F382-F695 HydrophobicContact CZ-CD1 4.31Å; F382-F695 HydrophobicContact CZ-CE1 4.06Å; F382-E699 HydrophobicContact CD2-CB 4.03Å; F382-E699 HydrophobicContact CD2-CG 4.39Å; F382-E699 HydrophobicContact CE2-CB 3.84Å; F382-Q702 HydrophobicContact CE1-CG 4.05Å; F382-Q702 HydrophobicContact CZ-CB 4.22Å; F382-Q702 HydrophobicContact CZ-CG 4.02Å; F382-L703 HydrophobicContact CZ-CB 4.39Å; F382-V764 HydrophobicContact CD1-CG1 4.13Å; F382-V764 HydrophobicContact CE1-CG1 3.63Å; F382-V764 HydrophobicContact CE1-CG2 4.27Å
383	D	90.9	Very high	94.1	Very high	101 Å²	101	18.9 Å²	18.9	54%	0.54	10%	0.102	S	C	.	.	H	α-helix	trans	-63.3	-40.4	-177.2	-58	-29.5	0	0	0	112.8	P381 Q386 M387	P381-D383 VanDerWaalsContact C-N 3.29Å; P381-D383 PolarHBondContact O-N 2.9Å; D383-Q386 WeakPolarHBondContact O-CB 3.35Å; D383-Q386 PolarHBondContact O-N 3.27Å; D383-M387 PolarHBondContact O-N 3.49Å
384	T	94.8	Very high	93.8	Very high	6 Å²	6	20.1 Å²	20.1	4%	0.037	11%	0.107	C	C	.	.	H	α-helix	trans	-63.6	-42.5	175	-64.2	0	0	0	0	111	A350 N351 L354 F380 P381 F382 Q386 M387 L388	A350-T384 HydrophobicContact CB-CG2 3.86Å; N351-T384 PolarHBondContact ND2-OG1 3.36Å; N351-T384 WeakPolarHBondContact OD1-CG2 3.32Å; N351-T384 PolarHBondContact OD1-OG1 3Å; L354-T384 HydrophobicContact CD1-CG2 4.13Å; F380-T384 HydrophobicContact CB-CG2 4.06Å; F380-T384 HydrophobicContact CD1-CG2 4.02Å; F380-T384 HydrophobicContact CG-CG2 4.27Å; P381-T384 PolarHBondContact O-N 3.31Å; F382-T384 PolarHBondContact O-N 2.7Å; T384-Q386 VanDerWaalsContact C-N 3.32Å; T384-M387 PolarHBondContact O-N 3.3Å; T384-L388 WeakPolarHBondContact O-CB 3.16Å; T384-L388 PolarHBondContact O-N 3Å
385	R	96.1	Very high	93.3	Very high	7 Å²	7	19.1 Å²	19.1	3%	0.026	11%	0.106	C	C	.	.	H	α-helix	trans	-67.4	-35.2	175.3	-69.1	-171.8	-76.9	129.3	5.7	112.3	P377 F380 P381 F382 L388 F389 Y694 F695 E699	P377-R385 VanDerWaalsContact O-CD 3.24Å; P377-R385 WeakPolarHBondContact O-CD 3.31Å; P377-R385 PolarHBondContact O-NE 2.71Å; F380-R385 HydrophobicContact CB-CG 3.64Å; F380-R385 PolarHBondContact O-NE 3.07Å; F380-R385 VanDerWaalsContact O-NE 3.09Å; P381-R385 PolarHBondContact O-N 2.73Å; P381-R385 VanDerWaalsContact O-N 3.09Å; F382-R385 CarbonylContact O-C 3.51Å; F382-R385 PolarHBondContact O-N 2.82Å; F382-R385 VanDerWaalsContact O-N 3.15Å; R385-L388 PolarHBondContact O-N 3.17Å; R385-F389 VanDerWaalsContact O-CB 3.29Å; R385-F389 WeakPolarHBondContact O-CB 3.43Å; R385-F389 PolarHBondContact O-N 3.23Å; R385-Y694 WeakPolarHBondContact CD-O 3.18Å; R385-Y694 PolarHBondContact NH1-O 2.82Å; R385-F695 HydrophobicContact CB-CE1 4.32Å; R385-E699 IonicContact CZ-OE1 2.85Å; R385-E699 IonicContact CZ-OE2 3.43Å; R385-E699 IonicContact NH1-OE1 2.67Å; R385-E699 IonicContact NH1-OE2 3.19Å; R385-E699 PolarHBondContact NH1-OE2 3.06Å; R385-E699 VanDerWaalsContact NH2-CD 3.28Å; R385-E699 IonicContact NH2-OE1 2.7Å; R385-E699 PolarHBondContact NH2-OE1 3.37Å; R385-E699 IonicContact NH2-OE2 3.57Å; R385-E699 PolarHBondContact NH2-OE2 3.35Å
386	Q	93.3	Very high	92.7	Very high	11 Å²	11	21 Å²	21	5%	0.051	11%	0.111	C	C	.	.	H	α-helix	trans	-64	-45.8	175.9	-167	-170.4	57.9	0	0	111	F382 D383 T384 F389 Y390 F695 L703	F382-Q386 HydrophobicContact CE1-CB 4.27Å; F382-Q386 HydrophobicContact CE1-CG 4.46Å; F382-Q386 WeakPolarHBondContact O-CB 3.47Å; F382-Q386 PolarHBondContact O-N 3.22Å; D383-Q386 WeakPolarHBondContact O-CB 3.35Å; D383-Q386 PolarHBondContact O-N 3.27Å; T384-Q386 VanDerWaalsContact C-N 3.32Å; Q386-F389 WeakPolarHBondContact O-CB 3.39Å; Q386-F389 PolarHBondContact O-N 3.25Å; Q386-Y390 HydrophobicContact CG-CD2 3.88Å; Q386-Y390 HydrophobicContact CG-CE2 3.5Å; Q386-Y390 VanDerWaalsContact CG-CE2 3.5Å; Q386-Y390 WeakPolarHBondContact O-CD2 3.39Å; Q386-Y390 PolarHBondContact O-N 3.16Å; Q386-F695 HydrophobicContact CB-CE1 4.26Å; Q386-F695 HydrophobicContact CB-CZ 4.35Å; Q386-F695 HydrophobicContact CG-CZ 4.45Å; Q386-L703 HydrophobicContact CG-CD1 4.27Å
387	M	92.1	Very high	92	Very high	21 Å²	21	23.8 Å²	23.8	10%	0.103	13%	0.126	C	C	.	.	H	α-helix	trans	-64.6	-42.6	175.1	-169.8	59.9	-177.5	0	0	111.6	L354 I360 D383 T384 F389 Y390 V391 R402 L403	L354-M387 HydrophobicContact CB-CG 3.87Å; L354-M387 HydrophobicContact CD1-CB 4.34Å; L354-M387 HydrophobicContact CD1-CG 4.47Å; L354-M387 VanDerWaalsContact O-CE 3.27Å; L354-M387 WeakPolarHBondContact O-CE 3.38Å; I360-M387 HydrophobicContact CD1-CE 3.77Å; D383-M387 PolarHBondContact O-N 3.49Å; T384-M387 PolarHBondContact O-N 3.3Å; M387-F389 VanDerWaalsContact C-N 3.32Å; M387-F389 PolarHBondContact O-N 3.31Å; M387-Y390 PolarHBondContact O-N 3.3Å; M387-V391 HydrophobicContact CE-CG2 3.78Å; M387-V391 HydrophobicContact CG-CG2 4.39Å; M387-V391 VanDerWaalsContact O-CG2 3.3Å; M387-V391 WeakPolarHBondContact O-CG2 3.25Å; M387-V391 PolarHBondContact O-N 2.96Å; M387-V391 HydrophobicContact SD-CG2 4.36Å; M387-R402 HydrophobicContact SD-CG 4.07Å; M387-L403 HydrophobicContact CE-CB 3.69Å; M387-L403 HydrophobicContact CE-CD1 3.73Å; M387-L403 HydrophobicContact CE-CG 4.31Å
388	L	95.1	Very high	91.6	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-59.1	-43.4	175	-178	59.4	0	0	0	112.1	L354 I365 L369 T384 R385 V391 T392 Y694	L354-L388 HydrophobicContact CD1-CB 3.97Å; L354-L388 HydrophobicContact CD2-CB 4.27Å; L354-L388 HydrophobicContact CD2-CD1 3.93Å; I365-L388 HydrophobicContact CG2-CD1 4.25Å; L369-L388 HydrophobicContact CD1-CD2 4.17Å; L369-L388 HydrophobicContact CD2-CD1 4.04Å; L369-L388 HydrophobicContact CG-CD1 3.83Å; L369-L388 HydrophobicContact CG-CD2 4.14Å; T384-L388 WeakPolarHBondContact O-CB 3.16Å; T384-L388 PolarHBondContact O-N 3Å; R385-L388 PolarHBondContact O-N 3.17Å; L388-V391 PolarHBondContact O-N 3.27Å; L388-T392 HydrophobicContact CD1-CG2 3.72Å; L388-T392 HydrophobicContact CG-CG2 4.4Å; L388-T392 WeakPolarHBondContact O-CB 3.39Å; L388-T392 VanDerWaalsContact O-CG2 3.3Å; L388-T392 WeakPolarHBondContact O-CG2 3.22Å; L388-T392 PolarHBondContact O-N 3.47Å; L388-T392 PolarHBondContact O-OG1 3.4Å; L388-Y694 HydrophobicContact CD2-CD1 4.05Å; L388-Y694 HydrophobicContact CD2-CE1 3.62Å; L388-Y694 HydrophobicContact CG-CD1 4.42Å; L388-Y694 HydrophobicContact CG-CE1 3.9Å
389	F	94.9	Very high	91.2	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-57.6	-50.1	173.7	165.4	-109.2	0	0	0	111.1	R385 Q386 M387 V391 T392 A393 F394 I546 F687 H691 L692 Y694 F695 L703	R385-F389 VanDerWaalsContact O-CB 3.29Å; R385-F389 WeakPolarHBondContact O-CB 3.43Å; R385-F389 PolarHBondContact O-N 3.23Å; Q386-F389 WeakPolarHBondContact O-CB 3.39Å; Q386-F389 PolarHBondContact O-N 3.25Å; M387-F389 VanDerWaalsContact C-N 3.32Å; M387-F389 PolarHBondContact O-N 3.31Å; F389-V391 VanDerWaalsContact C-N 3.33Å; F389-V391 PolarHBondContact O-N 2.87Å; F389-T392 PolarHBondContact O-N 3.12Å; F389-A393 HydrophobicContact CD2-CB 3.84Å; F389-A393 HydrophobicContact CE2-CB 3.81Å; F389-A393 WeakPolarHBondContact O-CB 3.32Å; F389-A393 PolarHBondContact O-N 3.01Å; F389-F394 AromaticContact CD1-CE2 3.84Å; F389-F394 HydrophobicContact CD1-CE2 3.84Å; F389-F394 HydrophobicContact CD1-CZ 4.39Å; F389-F394 HydrophobicContact CD2-CE2 4.48Å; F389-F394 AromaticContact CE1-CE2 3.41Å; F389-F394 HydrophobicContact CE1-CE2 3.41Å; F389-F394 VanDerWaalsContact CE1-CE2 3.41Å; F389-F394 AromaticContact CE1-CZ 3.55Å; F389-F394 HydrophobicContact CE1-CZ 3.55Å; F389-F394 HydrophobicContact CE2-CE2 4.12Å; F389-F394 HydrophobicContact CG-CE2 4.37Å; F389-F394 AromaticContact CZ-CE2 3.57Å; F389-F394 HydrophobicContact CZ-CE2 3.57Å; F389-F394 AromaticContact CZ-CZ 3.66Å; F389-F394 HydrophobicContact CZ-CZ 3.66Å; F389-I546 HydrophobicContact CE1-CG2 4.14Å; F389-I546 HydrophobicContact CZ-CG2 3.87Å; F389-F687 AromaticContact CE2-CE1 3.79Å; F389-F687 HydrophobicContact CE2-CE1 3.79Å; F389-F687 AromaticContact CE2-CZ 3.54Å; F389-F687 HydrophobicContact CE2-CZ 3.54Å; F389-F687 AromaticContact CZ-CE1 3.8Å; F389-F687 HydrophobicContact CZ-CE1 3.8Å; F389-F687 AromaticContact CZ-CZ 3.53Å; F389-F687 HydrophobicContact CZ-CZ 3.53Å; F389-H691 HydrophobicContact CD2-CB 4.39Å; F389-H691 VanDerWaalsContact CD2-O 3.3Å; F389-H691 WeakPolarHBondContact CD2-O 3.28Å; F389-H691 HydrophobicContact CE2-CB 3.92Å; F389-L692 HydrophobicContact CE2-CD2 3.83Å; F389-L692 HydrophobicContact CZ-CD2 3.82Å; F389-Y694 HydrophobicContact CB-CD2 3.97Å; F389-Y694 HydrophobicContact CD2-CD2 4.09Å; F389-F695 HydrophobicContact CB-CE2 3.84Å; F389-F695 HydrophobicContact CB-CZ 3.76Å; F389-F695 AromaticContact CD1-CE2 3.92Å; F389-F695 HydrophobicContact CD1-CE2 3.92Å; F389-F695 HydrophobicContact CD1-CZ 4.05Å; F389-F695 AromaticContact CD2-CE2 3.98Å; F389-F695 HydrophobicContact CD2-CE2 3.98Å; F389-F695 HydrophobicContact CE1-CE2 4.45Å; F389-F695 HydrophobicContact CE2-CE2 4.49Å; F389-F695 AromaticContact CG-CE2 3.64Å; F389-F695 HydrophobicContact CG-CE2 3.64Å; F389-F695 AromaticContact CG-CZ 3.93Å; F389-F695 HydrophobicContact CG-CZ 3.93Å; F389-L703 HydrophobicContact CD1-CD1 4.5Å; F389-L703 HydrophobicContact CE1-CD1 4.33Å; F389-L703 HydrophobicContact CE1-CD2 4.38Å
390	Y	91.8	Very high	90.5	Very high	12 Å²	12	23.4 Å²	23.4	5%	0.047	12%	0.124	C	C	.	.	H	α-helix	trans	-63.2	-37.4	180	-75.7	-58.3	0	0	0	113.6	Q386 M387 F394 R402 F549	Q386-Y390 HydrophobicContact CG-CD2 3.88Å; Q386-Y390 HydrophobicContact CG-CE2 3.5Å; Q386-Y390 VanDerWaalsContact CG-CE2 3.5Å; Q386-Y390 WeakPolarHBondContact O-CD2 3.39Å; Q386-Y390 PolarHBondContact O-N 3.16Å; M387-Y390 PolarHBondContact O-N 3.3Å; Y390-F394 AromaticContact CD1-CD2 3.77Å; Y390-F394 HydrophobicContact CD1-CD2 3.77Å; Y390-F394 HydrophobicContact CD1-CE1 4.24Å; Y390-F394 AromaticContact CD1-CE2 3.31Å; Y390-F394 HydrophobicContact CD1-CE2 3.31Å; Y390-F394 HydrophobicContact CD1-CG 4.42Å; Y390-F394 AromaticContact CD1-CZ 3.57Å; Y390-F394 HydrophobicContact CD1-CZ 3.57Å; Y390-F394 HydrophobicContact CE1-CE1 4.28Å; Y390-F394 AromaticContact CE1-CE2 3.82Å; Y390-F394 HydrophobicContact CE1-CE2 3.82Å; Y390-F394 AromaticContact CE1-CZ 3.61Å; Y390-F394 HydrophobicContact CE1-CZ 3.61Å; Y390-F394 HydrophobicContact CG-CE2 4.24Å; Y390-F394 WeakPolarHBondContact O-CB 2.96Å; Y390-F394 VanDerWaalsContact O-CD2 3.27Å; Y390-F394 WeakPolarHBondContact O-CD2 3.39Å; Y390-R402 HydrophobicContact CD2-CG 3.57Å; Y390-R402 HydrophobicContact CE2-CG 4.21Å; Y390-R402 HydrophobicContact CG-CB 4.39Å; Y390-R402 HydrophobicContact CG-CG 3.77Å; Y390-F549 HydrophobicContact CD1-CD1 4.12Å; Y390-F549 AromaticContact CD1-CE1 3.42Å; Y390-F549 HydrophobicContact CD1-CE1 3.42Å; Y390-F549 VanDerWaalsContact CD1-CE1 3.42Å; Y390-F549 HydrophobicContact CD1-CZ 4.23Å; Y390-F549 AromaticContact CE1-CD1 3.46Å; Y390-F549 HydrophobicContact CE1-CD1 3.46Å; Y390-F549 VanDerWaalsContact CE1-CD1 3.46Å; Y390-F549 AromaticContact CE1-CE1 3.24Å; Y390-F549 HydrophobicContact CE1-CE1 3.24Å; Y390-F549 HydrophobicContact CE1-CZ 4.38Å; Y390-F549 HydrophobicContact CG-CE1 4.45Å; Y390-F549 AromaticContact CZ-CD1 3.99Å
391	V	90.6	Very high	89.9	Confident	16 Å²	16	25.7 Å²	25.7	10%	0.097	14%	0.135	C	C	.	.	H	α-helix	trans	-75	-30	-180	177.6	0	0	0	0	112.6	L354 I360 I365 M387 L388 F389 A399	L354-V391 HydrophobicContact CD2-CB 4.15Å; L354-V391 HydrophobicContact CD2-CG1 4.48Å; L354-V391 HydrophobicContact CD2-CG2 4.07Å; I360-V391 HydrophobicContact CD1-CG2 3.85Å; I360-V391 HydrophobicContact CG1-CG1 4.03Å; I360-V391 HydrophobicContact CG1-CG2 3.98Å; I360-V391 HydrophobicContact CG2-CG1 4.4Å; I365-V391 HydrophobicContact CD1-CG1 3.52Å; I365-V391 HydrophobicContact CG1-CG1 3.56Å; M387-V391 HydrophobicContact CE-CG2 3.78Å; M387-V391 HydrophobicContact CG-CG2 4.39Å; M387-V391 VanDerWaalsContact O-CG2 3.3Å; M387-V391 WeakPolarHBondContact O-CG2 3.25Å; M387-V391 PolarHBondContact O-N 2.96Å; M387-V391 HydrophobicContact SD-CG2 4.36Å; L388-V391 PolarHBondContact O-N 3.27Å; F389-V391 VanDerWaalsContact C-N 3.33Å; F389-V391 PolarHBondContact O-N 2.87Å; V391-A399 HydrophobicContact CG2-CB 4.35Å
392	T	90.4	Very high	89.4	Confident	45 Å²	45	25.6 Å²	25.6	28%	0.276	13%	0.129	S	C	.	.	H	α-helix	trans	-99.4	-25.9	-174	57.4	0	0	0	0	114.3	T370 L388 F389 Y694	T370-T392 HydrophobicContact CG2-CG2 3.78Å; L388-T392 HydrophobicContact CD1-CG2 3.72Å; L388-T392 HydrophobicContact CG-CG2 4.4Å; L388-T392 WeakPolarHBondContact O-CB 3.39Å; L388-T392 VanDerWaalsContact O-CG2 3.3Å; L388-T392 WeakPolarHBondContact O-CG2 3.22Å; L388-T392 PolarHBondContact O-N 3.47Å; L388-T392 PolarHBondContact O-OG1 3.4Å; F389-T392 PolarHBondContact O-N 3.12Å; T392-Y694 PolarHBondContact OG1-OH 3.44Å
393	A	90.9	Very high	88.9	Confident	15 Å²	15	24.6 Å²	24.6	12%	0.124	12%	0.124	C	C	.	.	H	α-helix	trans	-98.4	-12.5	-174.4	0	0	0	0	0	114	F389 F687 H691	F389-A393 HydrophobicContact CD2-CB 3.84Å; F389-A393 HydrophobicContact CE2-CB 3.81Å; F389-A393 WeakPolarHBondContact O-CB 3.32Å; F389-A393 PolarHBondContact O-N 3.01Å; A393-F687 HydrophobicContact CB-CE2 4.25Å; A393-F687 HydrophobicContact CB-CZ 3.78Å; A393-H691 HydrophobicContact CB-CB 3.69Å; A393-H691 WeakPolarHBondContact CB-ND1 3.31Å
394	F	88.4	Confident	88.4	Confident	26 Å²	26	20.4 Å²	20.4	11%	0.114	10%	0.102	C	C	.	.	S	Bend	trans	-121	167	-174.3	-55.7	-107.2	0	0	0	110.9	F389 Y390 R398 I546 F549 F687	F389-F394 AromaticContact CD1-CE2 3.84Å; F389-F394 HydrophobicContact CD1-CE2 3.84Å; F389-F394 HydrophobicContact CD1-CZ 4.39Å; F389-F394 HydrophobicContact CD2-CE2 4.48Å; F389-F394 AromaticContact CE1-CE2 3.41Å; F389-F394 HydrophobicContact CE1-CE2 3.41Å; F389-F394 VanDerWaalsContact CE1-CE2 3.41Å; F389-F394 AromaticContact CE1-CZ 3.55Å; F389-F394 HydrophobicContact CE1-CZ 3.55Å; F389-F394 HydrophobicContact CE2-CE2 4.12Å; F389-F394 HydrophobicContact CG-CE2 4.37Å; F389-F394 AromaticContact CZ-CE2 3.57Å; F389-F394 HydrophobicContact CZ-CE2 3.57Å; F389-F394 AromaticContact CZ-CZ 3.66Å; F389-F394 HydrophobicContact CZ-CZ 3.66Å; Y390-F394 AromaticContact CD1-CD2 3.77Å; Y390-F394 HydrophobicContact CD1-CD2 3.77Å; Y390-F394 HydrophobicContact CD1-CE1 4.24Å; Y390-F394 AromaticContact CD1-CE2 3.31Å; Y390-F394 HydrophobicContact CD1-CE2 3.31Å; Y390-F394 HydrophobicContact CD1-CG 4.42Å; Y390-F394 AromaticContact CD1-CZ 3.57Å; Y390-F394 HydrophobicContact CD1-CZ 3.57Å; Y390-F394 HydrophobicContact CE1-CE1 4.28Å; Y390-F394 AromaticContact CE1-CE2 3.82Å; Y390-F394 HydrophobicContact CE1-CE2 3.82Å; Y390-F394 AromaticContact CE1-CZ 3.61Å; Y390-F394 HydrophobicContact CE1-CZ 3.61Å; Y390-F394 HydrophobicContact CG-CE2 4.24Å; Y390-F394 WeakPolarHBondContact O-CB 2.96Å; Y390-F394 VanDerWaalsContact O-CD2 3.27Å; Y390-F394 WeakPolarHBondContact O-CD2 3.39Å; F394-R398 HydrophobicContact CB-CB 3.87Å; F394-I546 HydrophobicContact CE1-CG2 4.07Å; F394-I546 HydrophobicContact CZ-CG2 3.62Å; F394-F549 HydrophobicContact CD1-CE1 4.39Å; F394-F549 HydrophobicContact CE1-CE1 4.18Å; F394-F687 HydrophobicContact CD1-CE2 4.42Å; F394-F687 AromaticContact CE1-CE2 3.99Å; F394-F687 HydrophobicContact CE1-CE2 3.99Å; F394-F687 HydrophobicContact CE2-CE2 4.21Å; F394-F687 HydrophobicContact CE2-CZ 4.14Å; F394-F687 AromaticContact CZ-CE2 3.87Å; F394-F687 HydrophobicContact CZ-CE2 3.87Å; F394-F687 AromaticContact CZ-CZ 3.99Å; F394-F687 HydrophobicContact CZ-CZ 3.99Å
395	D	82.7	Confident	87.6	Confident	52 Å²	52	22.3 Å²	22.3	28%	0.278	11%	0.112	S	C	.	.			trans	-66.1	163.4	170.3	59.3	63	0	0	0	111.9	D397 R398 A399	D395-D397 VanDerWaalsContact C-N 3.31Å; D395-D397 PolarHBondContact O-N 3.45Å; D395-D397 PolarHBondContact OD1-N 3.4Å; D395-R398 PolarHBondContact O-N 2.98Å; D395-R398 WeakPolarHBondContact OD1-CB 3.36Å; D395-R398 VanDerWaalsContact OD1-CG 3.28Å; D395-R398 WeakPolarHBondContact OD1-CG 3.49Å; D395-R398 PolarHBondContact OD1-N 3.17Å; D395-R398 WeakPolarHBondContact OD2-CD 3.36Å; D395-R398 IonicContact OD2-NE 2.91Å; D395-A399 WeakPolarHBondContact O-CB 3.43Å; D395-A399 PolarHBondContact O-N 3.27Å
396	R	80.2	Confident	86.5	Confident	49 Å²	49	25.7 Å²	25.7	19%	0.185	13%	0.133	C	C	.	.	H	α-helix	trans	-63.3	-35.9	-173.6	-67.5	163.6	173.1	-177.2	4.8	112.5	N194 M361 T362 A399 M400	N194-R396 PolarHBondContact O-NH2 3.29Å; M361-R396 WeakPolarHBondContact O-CD 3.19Å; M361-R396 VanDerWaalsContact O-CZ 3.27Å; M361-R396 PolarHBondContact O-NE 3.1Å; M361-R396 VanDerWaalsContact O-NE 3.15Å; M361-R396 PolarHBondContact O-NH1 3.35Å; M361-R396 HydrophobicContact SD-CB 4.35Å; T362-R396 PolarHBondContact O-NH2 3.3Å; R396-A399 PolarHBondContact O-N 3.41Å; R396-M400 VanDerWaalsContact O-CB 3.24Å; R396-M400 WeakPolarHBondContact O-CB 3.39Å; R396-M400 PolarHBondContact O-N 3.06Å
397	D	82.2	Confident	85.6	Confident	60 Å²	60	27.1 Å²	27.1	32%	0.321	14%	0.142	S	C	.	.	H	α-helix	trans	-63.7	-47.2	176.6	-72.4	-70.6	0	0	0	110.7	D395 M400 Q401 P422 R423 L424	D395-D397 VanDerWaalsContact C-N 3.31Å; D395-D397 PolarHBondContact O-N 3.45Å; D395-D397 PolarHBondContact OD1-N 3.4Å; D397-M400 PolarHBondContact O-N 3.27Å; D397-Q401 WeakPolarHBondContact O-CB 3.23Å; D397-Q401 PolarHBondContact O-N 3.2Å; D397-P422 HydrophobicContact CB-CB 4.16Å; D397-P422 VanDerWaalsContact O-CB 3.3Å; D397-P422 WeakPolarHBondContact O-CB 3.24Å; D397-R423 PolarHBondContact OD1-N 2.91Å; D397-L424 HydrophobicContact CB-CD2 3.81Å
398	R	87.6	Confident	84.3	Confident	2 Å²	2	29.1 Å²	29.1	1%	0.008	16%	0.156	C	C	.	.	H	α-helix	trans	-64.1	-42.8	176	-73.6	-179.3	-176.6	-78.3	0.5	112.3	F394 D395 M400 Q401 R402 L424 R451 M453 M547 D548 F549	F394-R398 HydrophobicContact CB-CB 3.87Å; D395-R398 PolarHBondContact O-N 2.98Å; D395-R398 WeakPolarHBondContact OD1-CB 3.36Å; D395-R398 VanDerWaalsContact OD1-CG 3.28Å; D395-R398 WeakPolarHBondContact OD1-CG 3.49Å; D395-R398 PolarHBondContact OD1-N 3.17Å; D395-R398 WeakPolarHBondContact OD2-CD 3.36Å; D395-R398 IonicContact OD2-NE 2.91Å; R398-M400 VanDerWaalsContact C-N 3.33Å; R398-M400 PolarHBondContact O-N 3.06Å; R398-Q401 PolarHBondContact O-N 3.39Å; R398-R402 PolarHBondContact O-N 2.95Å; R398-L424 HydrophobicContact CG-CD1 4.38Å; R398-L424 HydrophobicContact CG-CD2 3.56Å; R398-R451 PolarHBondContact NH2-O 3.38Å; R398-M453 PolarHBondContact NH1-SD 2.81Å; R398-M547 PolarHBondContact NH1-O 3.27Å; R398-D548 IonicContact CZ-OD1 3.7Å; R398-D548 IonicContact NH1-OD1 3.65Å; R398-D548 IonicContact NH2-OD1 2.74Å; R398-D548 PolarHBondContact NH2-OD1 2.95Å; R398-F549 HydrophobicContact CB-CZ 3.93Å; R398-F549 HydrophobicContact CG-CZ 4.45Å; R398-F549 WeakPolarHBondContact O-CZ 3.41Å
399	A	87.8	Confident	82.8	Confident	1 Å²	1	36.8 Å²	36.8	1%	0.008	19%	0.192	C	C	.	.	H	α-helix	trans	-61.6	-41.7	175.7	0	0	0	0	0	111.9	I360 V391 D395 R396 R402 L403	I360-A399 HydrophobicContact CG2-CB 3.55Å; V391-A399 HydrophobicContact CG2-CB 4.35Å; D395-A399 WeakPolarHBondContact O-CB 3.43Å; D395-A399 PolarHBondContact O-N 3.27Å; R396-A399 PolarHBondContact O-N 3.41Å; A399-R402 PolarHBondContact O-N 2.74Å; A399-L403 PolarHBondContact O-N 2.68Å
400	M	83.9	Confident	81.3	Confident	2 Å²	2	38.6 Å²	38.6	1%	0.01	20%	0.201	C	C	.	.	H	α-helix	trans	-66.5	-43.6	175.4	-176.4	56.2	67.4	0	0	111.8	P357 M361 R396 D397 R398 R402 L403 L404 P422	P357-M400 HydrophobicContact CB-CE 3.72Å; P357-M400 HydrophobicContact CB-SD 4.29Å; P357-M400 WeakPolarHBondContact O-CE 3.16Å; M361-M400 HydrophobicContact CG-CE 3.21Å; M361-M400 HydrophobicContact SD-CB 4.03Å; M361-M400 HydrophobicContact SD-CE 3.48Å; M361-M400 WeakPolarHBondContact SD-CE 3.43Å; M361-M400 HydrophobicContact SD-CG 4.28Å; R396-M400 VanDerWaalsContact O-CB 3.24Å; R396-M400 WeakPolarHBondContact O-CB 3.39Å; R396-M400 PolarHBondContact O-N 3.06Å; D397-M400 PolarHBondContact O-N 3.27Å; R398-M400 VanDerWaalsContact C-N 3.33Å; R398-M400 PolarHBondContact O-N 3.06Å; M400-R402 PolarHBondContact O-N 3.5Å; M400-L403 WeakPolarHBondContact O-CB 3.32Å; M400-L403 PolarHBondContact O-N 3.29Å; M400-L403 VanDerWaalsContact O-N 3.11Å; M400-L403 HydrophobicContact SD-CB 4.48Å; M400-L403 HydrophobicContact SD-CD2 4.11Å; M400-L404 HydrophobicContact CG-CD1 4.22Å; M400-L404 HydrophobicContact CG-CG 4.46Å; M400-L404 WeakPolarHBondContact O-CG 3.46Å; M400-L404 PolarHBondContact O-N 3.39Å; M400-L404 HydrophobicContact SD-CG 4.32Å; M400-P422 HydrophobicContact CB-CG 4.1Å; M400-P422 HydrophobicContact CG-CG 3.98Å
401	Q	84.3	Confident	79.5	Confident	52 Å²	52	40.9 Å²	40.9	24%	0.243	21%	0.214	C	C	.	.	H	α-helix	trans	-55.5	-45.7	174.6	-176.3	62.3	44.9	0	0	110.4	D397 R398 L403 L404 D405 P422 L424 F549	D397-Q401 WeakPolarHBondContact O-CB 3.23Å; D397-Q401 PolarHBondContact O-N 3.2Å; R398-Q401 PolarHBondContact O-N 3.39Å; Q401-L403 PolarHBondContact O-N 3.38Å; Q401-L404 PolarHBondContact O-N 3.36Å; Q401-D405 PolarHBondContact NE2-OD1 2.65Å; Q401-D405 PolarHBondContact NE2-OD2 2.88Å; Q401-D405 WeakPolarHBondContact O-CB 3.42Å; Q401-D405 PolarHBondContact O-N 3.15Å; Q401-P422 HydrophobicContact CB-CB 4.09Å; Q401-P422 HydrophobicContact CB-CG 3.75Å; Q401-L424 HydrophobicContact CB-CD1 4.26Å; Q401-L424 HydrophobicContact CG-CD1 4.21Å; Q401-F549 HydrophobicContact CB-CE2 4.4Å; Q401-F549 HydrophobicContact CG-CE2 4.31Å
402	R	85.9	Confident	77.6	Confident	38 Å²	38	46.5 Å²	46.5	14%	0.143	24%	0.239	C	C	.	.	H	α-helix	trans	-62.7	-40.4	177.2	-171	68.1	-178.4	165	0.1	112.7	M387 Y390 R398 A399 M400 D405 T406 F549	M387-R402 HydrophobicContact SD-CG 4.07Å; Y390-R402 HydrophobicContact CD2-CG 3.57Å; Y390-R402 HydrophobicContact CE2-CG 4.21Å; Y390-R402 HydrophobicContact CG-CB 4.39Å; Y390-R402 HydrophobicContact CG-CG 3.77Å; R398-R402 PolarHBondContact O-N 2.95Å; A399-R402 PolarHBondContact O-N 2.74Å; M400-R402 PolarHBondContact O-N 3.5Å; R402-D405 PolarHBondContact O-N 3.11Å; R402-T406 WeakPolarHBondContact O-CB 3.43Å; R402-T406 PolarHBondContact O-N 2.64Å; R402-T406 VanDerWaalsContact O-N 3.08Å; R402-T406 PolarHBondContact O-OG1 3.28Å; R402-F549 HydrophobicContact CB-CZ 4.39Å
403	L	83.9	Confident	75.7	Confident	0 Å²	0	46 Å²	46	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-59.6	-47.5	175.3	179	65.7	0	0	0	111.2	P357 I360 M387 A399 M400 Q401 T406 N407 I410	P357-L403 HydrophobicContact CB-CD2 3.98Å; P357-L403 HydrophobicContact CG-CD2 3.82Å; I360-L403 HydrophobicContact CD1-CB 3.93Å; I360-L403 HydrophobicContact CD1-CD1 4.34Å; I360-L403 HydrophobicContact CD1-CD2 3.74Å; I360-L403 HydrophobicContact CD1-CG 4.2Å; M387-L403 HydrophobicContact CE-CB 3.69Å; M387-L403 HydrophobicContact CE-CD1 3.73Å; M387-L403 HydrophobicContact CE-CG 4.31Å; A399-L403 PolarHBondContact O-N 2.68Å; M400-L403 WeakPolarHBondContact O-CB 3.32Å; M400-L403 PolarHBondContact O-N 3.29Å; M400-L403 VanDerWaalsContact O-N 3.11Å; M400-L403 HydrophobicContact SD-CB 4.48Å; M400-L403 HydrophobicContact SD-CD2 4.11Å; Q401-L403 PolarHBondContact O-N 3.38Å; L403-T406 PolarHBondContact O-N 2.74Å; L403-N407 WeakPolarHBondContact O-CB 3.4Å; L403-N407 PolarHBondContact O-N 3.49Å; L403-N407 PolarHBondContact O-ND2 3.23Å; L403-N407 VanDerWaalsContact O-ND2 3.15Å; L403-I410 HydrophobicContact CD1-CD1 4.45Å; L403-I410 HydrophobicContact CD2-CD1 4.27Å; L403-I410 HydrophobicContact CG-CD1 4.19Å
404	L	79.3	Confident	73.3	Confident	13 Å²	13	53.7 Å²	53.7	7%	0.068	28%	0.277	C	S	.	.	H	α-helix	trans	-65.8	-40.9	-179.6	-67.6	173.9	0	0	0	112.2	M400 Q401 T406 N407 I410 P422	M400-L404 HydrophobicContact CG-CD1 4.22Å; M400-L404 HydrophobicContact CG-CG 4.46Å; M400-L404 WeakPolarHBondContact O-CG 3.46Å; M400-L404 PolarHBondContact O-N 3.39Å; M400-L404 HydrophobicContact SD-CG 4.32Å; Q401-L404 PolarHBondContact O-N 3.36Å; L404-T406 VanDerWaalsContact C-N 3.26Å; L404-T406 PolarHBondContact O-N 2.92Å; L404-N407 CarbonylContact O-C 3.49Å; L404-N407 VanDerWaalsContact O-C 3.3Å; L404-N407 PolarHBondContact O-N 3.3Å; L404-I410 HydrophobicContact CD2-CB 4.15Å; L404-I410 HydrophobicContact CD2-CG2 3.74Å; L404-P422 HydrophobicContact CD1-CG 4.05Å
405	D	78.1	Confident	71.3	Confident	47 Å²	47	55 Å²	55	25%	0.251	29%	0.289	S	S	.	.	H	α-helix	trans	-63.6	-35	176.7	-71	-25.7	0	0	0	111.6	Q401 R402 N771	Q401-D405 PolarHBondContact NE2-OD1 2.65Å; Q401-D405 PolarHBondContact NE2-OD2 2.88Å; Q401-D405 WeakPolarHBondContact O-CB 3.42Å; Q401-D405 PolarHBondContact O-N 3.15Å; R402-D405 PolarHBondContact O-N 3.11Å; D405-N771 PolarHBondContact OD1-ND2 3.14Å
406	T	74.1	Confident	69.5	Low	77 Å²	77	60.8 Å²	60.8	47%	0.472	31%	0.314	S	S	.	.	H	α-helix	trans	-83.6	-22.9	-179.9	-46.4	0	0	0	0	112.4	R402 L403 L404	R402-T406 WeakPolarHBondContact O-CB 3.43Å; R402-T406 PolarHBondContact O-N 2.64Å; R402-T406 VanDerWaalsContact O-N 3.08Å; R402-T406 PolarHBondContact O-OG1 3.28Å; L403-T406 PolarHBondContact O-N 2.74Å; L404-T406 VanDerWaalsContact C-N 3.26Å; L404-T406 PolarHBondContact O-N 2.92Å
407	N	74.1	Confident	67.6	Low	42 Å²	42	66.2 Å²	66.2	23%	0.225	35%	0.347	C	S	.	.			trans	-131.6	72.8	-177.1	-60.2	-87.8	0	0	0	110.6	L403 L404 E409 I410	L403-N407 WeakPolarHBondContact O-CB 3.4Å; L403-N407 PolarHBondContact O-N 3.49Å; L403-N407 PolarHBondContact O-ND2 3.23Å; L403-N407 VanDerWaalsContact O-ND2 3.15Å; L404-N407 CarbonylContact O-C 3.49Å; L404-N407 VanDerWaalsContact O-C 3.3Å; L404-N407 PolarHBondContact O-N 3.3Å; N407-E409 PolarHBondContact O-N 3.09Å; N407-E409 VanDerWaalsContact O-N 3.09Å; N407-I410 HydrophobicContact CB-CD1 3.64Å; N407-I410 HydrophobicContact CB-CG1 3.92Å; N407-I410 WeakPolarHBondContact O-CB 3.38Å; N407-I410 PolarHBondContact O-N 2.98Å
408	P	65	Low	65.8	Low	62 Å²	62	63.9 Å²	63.9	40%	0.403	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-61.8	-22.4	-175.1	23.5	-33.6	0	0	0	113.4	I410 N411 Q412	P408-I410 PolarHBondContact O-N 3.05Å; P408-N411 WeakPolarHBondContact O-CA 3.46Å; P408-N411 VanDerWaalsContact O-CB 3.28Å; P408-N411 WeakPolarHBondContact O-CB 3.26Å; P408-N411 PolarHBondContact O-N 3.13Å; P408-Q412 PolarHBondContact O-N 3.12Å
409	E	63.6	Low	64.1	Low	161 Å²	161	70.4 Å²	70.4	75%	0.752	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-59.4	-31.2	173.9	-63	-174.6	174.8	0	0	113.1	N407 N411 Q412	N407-E409 PolarHBondContact O-N 3.09Å; N407-E409 VanDerWaalsContact O-N 3.09Å; E409-N411 PolarHBondContact O-N 3.11Å; E409-Q412 PolarHBondContact O-N 2.91Å
410	I	61.8	Low	62.4	Low	38 Å²	38	71.5 Å²	71.5	20%	0.195	37%	0.366	C	S	.	.	G	3₁₀ helix	trans	-62.5	-28.4	174.3	-59.5	178.8	0	0	0	110.4	L403 L404 N407 P408	L403-I410 HydrophobicContact CD1-CD1 4.45Å; L403-I410 HydrophobicContact CD2-CD1 4.27Å; L403-I410 HydrophobicContact CG-CD1 4.19Å; L404-I410 HydrophobicContact CD2-CB 4.15Å; L404-I410 HydrophobicContact CD2-CG2 3.74Å; N407-I410 HydrophobicContact CB-CD1 3.64Å; N407-I410 HydrophobicContact CB-CG1 3.92Å; N407-I410 WeakPolarHBondContact O-CB 3.38Å; N407-I410 PolarHBondContact O-N 2.98Å; P408-I410 PolarHBondContact O-N 3.05Å
411	N	54.2	Low	61.1	Low	60 Å²	60	74.4 Å²	74.4	32%	0.321	39%	0.391	S	S	.	.	G	3₁₀ helix	trans	-91.9	-9.4	-174.8	-146.3	-0.2	0	0	0	113.8	P408 E409	P408-N411 WeakPolarHBondContact O-CA 3.46Å; P408-N411 VanDerWaalsContact O-CB 3.28Å; P408-N411 WeakPolarHBondContact O-CB 3.26Å; P408-N411 PolarHBondContact O-N 3.13Å; E409-N411 PolarHBondContact O-N 3.11Å
412	Q	52.2	Low	60.2	Low	135 Å²	135	72.9 Å²	72.9	63%	0.631	39%	0.385	S	S	*	.			trans	-87.8	5.2	-175.4	-73.6	-179.9	28.4	0	0	114.7	P408 E409 D414	P408-Q412 PolarHBondContact O-N 3.12Å; E409-Q412 PolarHBondContact O-N 2.91Å; Q412-D414 PolarHBondContact O-N 3.28Å; Q412-D414 VanDerWaalsContact O-N 3.15Å
413	S	49.5	Very low	59.4	Low	34 Å²	34	81.6 Å²	81.6	24%	0.238	42%	0.418	C	S	.	.			trans	-70.7	112.7	173.9	68.3	0	0	0	0	111	S415 S418	S413-S415 PolarHBondContact O-N 3.33Å; S413-S418 PolarHBondContact OG-OG 3.29Å
414	D	40.9	Very low	59.2	Low	177 Å²	177	83 Å²	83	95%	0.947	43%	0.426	S	S	*	.	S	Bend	trans	-53.1	1.7	-167.1	-80.4	-38.5	0	0	0	119.4	Q412	Q412-D414 PolarHBondContact O-N 3.28Å; Q412-D414 VanDerWaalsContact O-N 3.15Å
415	S	46.1	Very low	59.4	Low	53 Å²	53	87.4 Å²	87.4	37%	0.371	45%	0.449	S	S	.	.			trans	-100.2	115.8	177.4	45	0	0	0	0	111.2	S413 D417 S418	S413-S415 PolarHBondContact O-N 3.33Å; S415-D417 PolarHBondContact O-N 3.24Å; S415-D417 VanDerWaalsContact O-N 3.12Å; S415-S418 PolarHBondContact O-N 3Å; S415-S418 PolarHBondContact O-OG 2.71Å; S415-S418 VanDerWaalsContact OG-CB 3.23Å; S415-S418 WeakPolarHBondContact OG-CB 3.49Å; S415-S418 PolarHBondContact OG-OG 3.14Å
416	Q	44.8	Very low	59.8	Low	174 Å²	174	93.8 Å²	93.8	81%	0.813	47%	0.47	S	S	*	.	G	3₁₀ helix	trans	-53.2	-29.6	172.4	-79.6	-167.3	-12.1	0	0	112.5	S418	Q416-S418 PolarHBondContact O-N 2.89Å
417	D	40.8	Very low	60.6	Low	163 Å²	163	92.4 Å²	92.4	87%	0.872	46%	0.457	S	S	*	.	G	3₁₀ helix	trans	-70.2	-7.5	175.3	-83.6	-21.3	0	0	0	115.1	S415	S415-D417 PolarHBondContact O-N 3.24Å; S415-D417 VanDerWaalsContact O-N 3.12Å
418	S	43.2	Very low	61.5	Low	10 Å²	10	95 Å²	95	7%	0.07	47%	0.467	C	S	.	.	G	3₁₀ helix	trans	-108.1	-1	-174.8	66.7	0	0	0	0	116	K97 S413 S415 Q416 V420	K97-S418 VanDerWaalsContact CE-CB 3.42Å; K97-S418 PolarHBondContact NZ-OG 3.09Å; S413-S418 PolarHBondContact OG-OG 3.29Å; S415-S418 PolarHBondContact O-N 3Å; S415-S418 PolarHBondContact O-OG 2.71Å; S415-S418 VanDerWaalsContact OG-CB 3.23Å; S415-S418 WeakPolarHBondContact OG-CB 3.49Å; S415-S418 PolarHBondContact OG-OG 3.14Å; Q416-S418 PolarHBondContact O-N 2.89Å; S418-V420 PolarHBondContact O-N 2.68Å
419	R	51.7	Low	62.8	Low	139 Å²	139	96.3 Å²	96.3	53%	0.525	46%	0.463	S	S	.	.			trans	-77.7	105.5	178.9	-75.9	-177.7	172	148.1	2.2	110.1	A421	R419-A421 PolarHBondContact O-N 3.26Å
420	V	52.6	Low	64.2	Low	24 Å²	24	92 Å²	92	15%	0.145	45%	0.448	C	S	.	.			trans	-68.9	81.4	156.8	-178.6	0	0	0	0	106.7	L96 N100 S418 P422	L96-V420 HydrophobicContact CB-CG2 3.77Å; L96-V420 HydrophobicContact CD1-CB 4.41Å; L96-V420 HydrophobicContact CD1-CG2 4.02Å; L96-V420 HydrophobicContact CD2-CG2 4.1Å; L96-V420 HydrophobicContact CG-CG2 4.18Å; N100-V420 WeakPolarHBondContact ND2-CG2 3.1Å; S418-V420 PolarHBondContact O-N 2.68Å; V420-P422 WeakPolarHBondContact O-CD 3.24Å
421	A	57.1	Low	65.6	Low	64 Å²	64	90.2 Å²	90.2	53%	0.529	44%	0.439	S	S	.	.			trans	-83.5	122.1	174.8	0	0	0	0	0	108.4	R419 R423	R419-A421 PolarHBondContact O-N 3.26Å; A421-R423 PolarHBondContact O-N 3.07Å
422	P	65.5	Low	67.3	Low	19 Å²	19	89.3 Å²	89.3	12%	0.123	43%	0.434	C	S	.	.			trans	-53	132.5	171.6	-23.9	33.5	0	0	0	110.6	D397 M400 Q401 L404 V420 L424	D397-P422 HydrophobicContact CB-CB 4.16Å; D397-P422 VanDerWaalsContact O-CB 3.3Å; D397-P422 WeakPolarHBondContact O-CB 3.24Å; M400-P422 HydrophobicContact CB-CG 4.1Å; M400-P422 HydrophobicContact CG-CG 3.98Å; Q401-P422 HydrophobicContact CB-CB 4.09Å; Q401-P422 HydrophobicContact CB-CG 3.75Å; L404-P422 HydrophobicContact CD1-CG 4.05Å; V420-P422 WeakPolarHBondContact O-CD 3.24Å; P422-L424 HydrophobicContact CB-CG 4.42Å; P422-L424 PolarHBondContact O-N 3.19Å
423	R	68.7	Low	68.9	Low	222 Å²	222	85.3 Å²	85.3	84%	0.838	41%	0.414	S	S	*	.			trans	-96.4	75	-179	-66.4	-174.7	-177	176.8	2.8	109.9	D397 A421	D397-R423 PolarHBondContact OD1-N 2.91Å; A421-R423 PolarHBondContact O-N 3.07Å
424	L	79.4	Confident	70.5	Confident	30 Å²	30	92.4 Å²	92.4	16%	0.157	44%	0.443	C	S	.	.			trans	-84	115.9	176	-62.5	175.9	0	0	0	110.7	D397 R398 Q401 P422 M453	D397-L424 HydrophobicContact CB-CD2 3.81Å; R398-L424 HydrophobicContact CG-CD1 4.38Å; R398-L424 HydrophobicContact CG-CD2 3.56Å; Q401-L424 HydrophobicContact CB-CD1 4.26Å; Q401-L424 HydrophobicContact CG-CD1 4.21Å; P422-L424 HydrophobicContact CB-CG 4.42Å; P422-L424 PolarHBondContact O-N 3.19Å; L424-M453 HydrophobicContact CB-CG 4.11Å; L424-M453 HydrophobicContact CD1-CG 4.32Å
425	D	83.3	Confident	72.7	Confident	105 Å²	105	88.4 Å²	88.4	56%	0.561	42%	0.419	S	S	*	.			trans	-59.7	138.6	171	-72.3	-26.6	0	0	0	110.4	A452 M453	D425-A452 HydrophobicContact CB-CB 4.01Å; D425-A452 CarbonylContact O-C 3.53Å; D425-A452 VanDerWaalsContact O-CA 3.29Å; D425-A452 WeakPolarHBondContact O-CA 3.34Å; D425-M453 PolarHBondContact O-N 3.02Å
426	R	88	Confident	74.9	Confident	180 Å²	180	86.5 Å²	86.5	68%	0.679	40%	0.404	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115	135.1	175.6	-65.6	-175.1	171.9	103.6	1	110.1	M453	R426-M453 CarbonylContact C-O 3.56Å; R426-M453 WeakPolarHBondContact CA-O 3.32Å; R426-M453 HydrophobicContact CG-CB 4.04Å
427	K	90.7	Very high	77.2	Confident	49 Å²	49	78.7 Å²	78.7	21%	0.213	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	113.7	174.1	-79.5	-172.7	178.1	-172.2	0	109.8	N174 L447 A452 M453 E455	N174-K427 PolarHBondContact OD1-NZ 2.86Å; K427-L447 HydrophobicContact CB-CD1 4.02Å; K427-L447 HydrophobicContact CD-CD2 3.66Å; K427-A452 HydrophobicContact CB-CB 4.12Å; K427-A452 HydrophobicContact CD-CB 3.85Å; K427-A452 HydrophobicContact CG-CB 3.62Å; K427-M453 PolarHBondContact N-O 3.4Å; K427-E455 PolarHBondContact O-N 3.03Å
428	K	91.7	Very high	79.8	Confident	96 Å²	96	76.7 Å²	76.7	42%	0.417	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	139.6	179	-174.5	175.3	166.9	179.7	0	111.8	E455	K428-E455 CarbonylContact C-O 3.55Å; K428-E455 VanDerWaalsContact CA-O 3.27Å; K428-E455 WeakPolarHBondContact CA-O 3.47Å
429	R	92.5	Very high	82.3	Confident	89 Å²	89	78.2 Å²	78.2	34%	0.336	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	136.7	172.5	-73	-65.4	-179.6	-94.3	10.3	110.8	V443 L447 L454 E455 I456 Q457	R429-V443 HydrophobicContact CB-CG2 4.31Å; R429-V443 HydrophobicContact CG-CG1 4.41Å; R429-V443 HydrophobicContact CG-CG2 4.33Å; R429-L447 HydrophobicContact CG-CD1 3.53Å; R429-L454 HydrophobicContact CB-CD1 4.41Å; R429-L454 HydrophobicContact CG-CD1 4.14Å; R429-E455 PolarHBondContact N-O 3.43Å; R429-I456 HydrophobicContact CB-CD1 4.25Å; R429-I456 CarbonylContact O-C 3.47Å; R429-I456 WeakPolarHBondContact O-CA 3.35Å; R429-Q457 PolarHBondContact O-N 2.94Å
430	T	92.4	Very high	84.5	Confident	71 Å²	71	71.6 Å²	71.6	44%	0.436	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	133.7	174.6	-52.1	0	0	0	0	109.1	Q457 E459	T430-Q457 CarbonylContact C-O 3.14Å; T430-Q457 VanDerWaalsContact CA-O 3.22Å; T430-Q457 WeakPolarHBondContact CA-O 3.3Å; T430-Q457 HydrophobicContact CG2-CG 4.5Å; T430-E459 HydrophobicContact CG2-CB 4.5Å; T430-E459 HydrophobicContact CG2-CG 3.57Å
431	V	92.4	Very high	86.6	Confident	1 Å²	1	72.7 Å²	72.7	1%	0.006	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	141.3	-174.8	179	0	0	0	0	110.8	L436 Q439 V443 I456 Q457 Y458 E459 F472	V431-L436 HydrophobicContact CG1-CD1 3.72Å; V431-Q439 HydrophobicContact CG1-CB 4.07Å; V431-V443 HydrophobicContact CG2-CG2 4.35Å; V431-I456 HydrophobicContact CB-CG2 4.34Å; V431-I456 HydrophobicContact CG2-CD1 4.16Å; V431-I456 HydrophobicContact CG2-CG2 4.18Å; V431-Q457 PolarHBondContact N-O 3.24Å; V431-Y458 CarbonylContact O-C 3.41Å; V431-Y458 VanDerWaalsContact O-CA 3.25Å; V431-Y458 WeakPolarHBondContact O-CA 3.46Å; V431-E459 PolarHBondContact O-N 3.09Å; V431-F472 HydrophobicContact CG1-CD2 4.42Å; V431-F472 HydrophobicContact CG1-CE2 4.29Å; V431-F472 HydrophobicContact CG2-CD2 4.48Å; V431-F472 HydrophobicContact CG2-CE2 4.24Å
432	N	89.8	Confident	88.4	Confident	40 Å²	40	72.4 Å²	72.4	21%	0.214	33%	0.33	C	S	.	.			trans	-94.6	134	173.2	-169.2	-51.5	0	0	0	110.2	E434 L436 Q439 E459	N432-E434 VanDerWaalsContact C-N 3.33Å; N432-E434 PolarHBondContact O-N 2.73Å; N432-E434 WeakPolarHBondContact OD1-CB 3.42Å; N432-E434 PolarHBondContact OD1-N 2.73Å; N432-L436 PolarHBondContact O-N 2.88Å; N432-Q439 VanDerWaalsContact CB-NE2 3.27Å; N432-E459 HydrophobicContact CB-CG 4.4Å; N432-E459 WeakPolarHBondContact CB-OE2 3.23Å; N432-E459 PolarHBondContact ND2-OE2 2.73Å
433	R	85	Confident	89.9	Confident	52 Å²	52	72 Å²	72	20%	0.196	33%	0.327	C	S	.	.	S	Bend	trans	-67.1	-29.5	-179.9	-68	-170.9	179.5	-93.9	1.4	113.7	Y458 E461 E471	R433-Y458 HydrophobicContact CG-CD1 3.6Å; R433-Y458 HydrophobicContact CG-CE1 3.94Å; R433-Y458 HydrophobicContact CG-CG 4.38Å; R433-E461 WeakPolarHBondContact CD-OE1 3.31Å; R433-E461 IonicContact CZ-OE1 3.49Å; R433-E461 IonicContact CZ-OE2 2.93Å; R433-E461 IonicContact NE-OE1 2.99Å; R433-E461 PolarHBondContact NE-OE1 3.46Å; R433-E461 IonicContact NE-OE2 3.52Å; R433-E461 PolarHBondContact NE-OE2 3.45Å; R433-E461 IonicContact NH2-OE1 2.76Å; R433-E461 IonicContact NH2-OE2 3Å; R433-E461 PolarHBondContact NH2-OE2 2.66Å; R433-E471 IonicContact CZ-OE1 3.68Å; R433-E471 IonicContact CZ-OE2 3.53Å; R433-E471 VanDerWaalsContact NH1-CD 3.34Å; R433-E471 IonicContact NH1-OE1 3.41Å; R433-E471 PolarHBondContact NH1-OE1 2.85Å; R433-E471 IonicContact NH1-OE2 2.66Å; R433-E471 PolarHBondContact NH1-OE2 3.08Å; R433-E471 IonicContact NH2-OE1 2.85Å; R433-E471 PolarHBondContact NH2-OE1 3.24Å; R433-E471 IonicContact NH2-OE2 3.37Å; R433-E471 PolarHBondContact NH2-OE2 3.47Å
434	E	84.9	Confident	91.2	Very high	182 Å²	182	61.5 Å²	61.5	85%	0.85	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-35.3	-175.6	-61.2	-177.2	175.5	0	0	112.7	N432	N432-E434 VanDerWaalsContact C-N 3.33Å; N432-E434 PolarHBondContact O-N 2.73Å; N432-E434 WeakPolarHBondContact OD1-CB 3.42Å; N432-E434 PolarHBondContact OD1-N 2.73Å
435	E	86.9	Confident	91.8	Very high	94 Å²	94	66.7 Å²	66.7	44%	0.439	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.1	29.5	177.5	-65.1	-157.3	145.7	0	0	112.7	L437 K438 Q439	E435-L437 PolarHBondContact O-N 2.62Å; E435-K438 PolarHBondContact O-N 2.89Å; E435-K438 VanDerWaalsContact O-N 3.12Å; E435-K438 IonicContact OE1-NZ 3.87Å; E435-K438 PolarHBondContact OE1-NZ 3.34Å; E435-K438 VanDerWaalsContact OE1-NZ 3.11Å; E435-K438 IonicContact OE2-NZ 2.71Å; E435-K438 PolarHBondContact OE2-NZ 2.98Å; E435-Q439 HydrophobicContact CB-CG 4.25Å; E435-Q439 PolarHBondContact O-N 2.99Å
436	L	91.6	Very high	92.2	Very high	12 Å²	12	66.2 Å²	66.2	6%	0.063	31%	0.308	C	S	.	.	H	α-helix	trans	-48.9	-51.6	-167	-178.4	68.2	0	0	0	114	V431 N432 K438 Q439 A440 Y458 F472 L475 V476 E479	V431-L436 HydrophobicContact CG1-CD1 3.72Å; N432-L436 PolarHBondContact O-N 2.88Å; L436-K438 PolarHBondContact O-N 3.02Å; L436-Q439 PolarHBondContact O-N 3.37Å; L436-A440 VanDerWaalsContact O-CB 3.31Å; L436-A440 WeakPolarHBondContact O-CB 3.32Å; L436-A440 PolarHBondContact O-N 3.43Å; L436-Y458 HydrophobicContact CD1-CE1 4.26Å; L436-F472 HydrophobicContact CD1-CD2 3.88Å; L436-F472 HydrophobicContact CD1-CE2 4.12Å; L436-L475 HydrophobicContact CD2-CB 3.31Å; L436-L475 HydrophobicContact CD2-CD1 4.24Å; L436-L475 HydrophobicContact CD2-CG 4.4Å; L436-V476 HydrophobicContact CD1-CG2 4.23Å; L436-V476 HydrophobicContact CD2-CG2 4.12Å; L436-V476 HydrophobicContact CG-CG2 3.94Å; L436-E479 HydrophobicContact CD2-CG 4.23Å
437	L	94	Very high	92.3	Very high	10 Å²	10	58.1 Å²	58.1	5%	0.052	28%	0.279	C	S	.	.	H	α-helix	trans	-63.1	-42.6	-176.1	-177.8	60.3	0	0	0	112.5	E435 A440 E441 V476 E479 L480 L485 F537	E435-L437 PolarHBondContact O-N 2.62Å; L437-A440 PolarHBondContact O-N 2.92Å; L437-E441 WeakPolarHBondContact O-CG 3.37Å; L437-E441 PolarHBondContact O-N 3.13Å; L437-E441 VanDerWaalsContact O-N 3.07Å; L437-V476 HydrophobicContact CD1-CG1 4.5Å; L437-E479 HydrophobicContact CB-CB 4.12Å; L437-E479 HydrophobicContact CB-CG 4.5Å; L437-E479 HydrophobicContact CD1-CB 4.35Å; L437-L480 HydrophobicContact CD1-CD2 4.07Å; L437-L480 HydrophobicContact CD1-CG 4.15Å; L437-L485 HydrophobicContact CD2-CD1 3.77Å; L437-L485 HydrophobicContact CD2-CD2 4.1Å; L437-F537 HydrophobicContact CD1-CE1 3.84Å
438	K	95.3	Very high	92.2	Very high	122 Å²	122	55.8 Å²	55.8	53%	0.53	27%	0.269	S	S	.	.	H	α-helix	trans	-68.2	-39.5	-179.9	176.5	-176.7	163.2	-149	0	110.9	E435 L436 E441 S442	E435-K438 PolarHBondContact O-N 2.89Å; E435-K438 VanDerWaalsContact O-N 3.12Å; E435-K438 IonicContact OE1-NZ 3.87Å; E435-K438 PolarHBondContact OE1-NZ 3.34Å; E435-K438 VanDerWaalsContact OE1-NZ 3.11Å; E435-K438 IonicContact OE2-NZ 2.71Å; E435-K438 PolarHBondContact OE2-NZ 2.98Å; L436-K438 PolarHBondContact O-N 3.02Å; K438-E441 WeakPolarHBondContact O-CB 3.39Å; K438-E441 PolarHBondContact O-N 2.77Å; K438-S442 PolarHBondContact O-N 3.18Å
439	Q	95.4	Very high	92	Very high	42 Å²	42	55.3 Å²	55.3	20%	0.196	28%	0.277	C	S	.	.	H	α-helix	trans	-69.8	-37.7	175.7	-66.1	-161.6	4.2	0	0	112.1	V431 N432 E435 L436 E441 S442 V443	V431-Q439 HydrophobicContact CG1-CB 4.07Å; N432-Q439 VanDerWaalsContact CB-NE2 3.27Å; E435-Q439 HydrophobicContact CB-CG 4.25Å; E435-Q439 PolarHBondContact O-N 2.99Å; L436-Q439 PolarHBondContact O-N 3.37Å; Q439-E441 VanDerWaalsContact C-N 3.28Å; Q439-E441 PolarHBondContact O-N 2.86Å; Q439-S442 WeakPolarHBondContact O-CB 3.48Å; Q439-S442 PolarHBondContact O-N 3.03Å; Q439-S442 VanDerWaalsContact O-N 3.13Å; Q439-V443 WeakPolarHBondContact O-CG2 3.23Å; Q439-V443 PolarHBondContact O-N 3.38Å
440	A	96.9	Very high	91.8	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-59.6	-40.1	173.6	0	0	0	0	0	111.8	L436 L437 S442 V443 M444 F472 V476 F537	L436-A440 VanDerWaalsContact O-CB 3.31Å; L436-A440 WeakPolarHBondContact O-CB 3.32Å; L436-A440 PolarHBondContact O-N 3.43Å; L437-A440 PolarHBondContact O-N 2.92Å; A440-S442 PolarHBondContact O-N 2.91Å; A440-V443 PolarHBondContact O-N 2.93Å; A440-M444 WeakPolarHBondContact O-CG 3.43Å; A440-M444 PolarHBondContact O-N 2.9Å; A440-F472 HydrophobicContact CB-CE2 3.8Å; A440-F472 HydrophobicContact CB-CZ 3.53Å; A440-V476 HydrophobicContact CB-CG1 4.08Å; A440-V476 HydrophobicContact CB-CG2 3.57Å; A440-F537 VanDerWaalsContact C-CE2 3.48Å; A440-F537 HydrophobicContact CB-CE2 4.21Å; A440-F537 HydrophobicContact CB-CZ 3.74Å; A440-F537 WeakPolarHBondContact O-CE2 3.48Å
441	E	97.2	Very high	91.5	Very high	46 Å²	46	56 Å²	56	22%	0.215	28%	0.275	C	S	.	.	H	α-helix	trans	-58.3	-45.5	173	-73.2	177.3	139	0	0	112.2	L437 K438 Q439 M444 Q445 K534 F537	L437-E441 WeakPolarHBondContact O-CG 3.37Å; L437-E441 PolarHBondContact O-N 3.13Å; L437-E441 VanDerWaalsContact O-N 3.07Å; K438-E441 WeakPolarHBondContact O-CB 3.39Å; K438-E441 PolarHBondContact O-N 2.77Å; Q439-E441 VanDerWaalsContact C-N 3.28Å; Q439-E441 PolarHBondContact O-N 2.86Å; E441-M444 PolarHBondContact O-N 3.18Å; E441-Q445 WeakPolarHBondContact O-CB 3.26Å; E441-Q445 PolarHBondContact O-N 3.35Å; E441-K534 VanDerWaalsContact OE1-CD 3.24Å; E441-K534 WeakPolarHBondContact OE1-CD 3.34Å; E441-K534 VanDerWaalsContact OE1-CE 3.26Å; E441-K534 WeakPolarHBondContact OE1-CE 3.49Å; E441-K534 IonicContact OE1-NZ 2.72Å; E441-K534 PolarHBondContact OE1-NZ 3.39Å; E441-K534 IonicContact OE2-NZ 2.61Å; E441-K534 PolarHBondContact OE2-NZ 3.45Å; E441-F537 HydrophobicContact CB-CD2 4.25Å; E441-F537 HydrophobicContact CB-CE2 4.45Å; E441-F537 HydrophobicContact CG-CB 4.23Å; E441-F537 HydrophobicContact CG-CD1 3.95Å; E441-F537 HydrophobicContact CG-CD2 3.75Å; E441-F537 HydrophobicContact CG-CE1 4.24Å; E441-F537 HydrophobicContact CG-CE2 4.05Å; E441-F537 HydrophobicContact CG-CG 3.68Å; E441-F537 HydrophobicContact CG-CZ 4.28Å
442	S	95.9	Very high	91.2	Very high	58 Å²	58	56.4 Å²	56.4	41%	0.406	28%	0.278	S	S	.	.	H	α-helix	trans	-62.7	-45.4	175.7	-164.9	0	0	0	0	111.7	K438 Q439 A440 M444 Q445 D446	K438-S442 PolarHBondContact O-N 3.18Å; Q439-S442 WeakPolarHBondContact O-CB 3.48Å; Q439-S442 PolarHBondContact O-N 3.03Å; Q439-S442 VanDerWaalsContact O-N 3.13Å; A440-S442 PolarHBondContact O-N 2.91Å; S442-M444 VanDerWaalsContact C-N 3.34Å; S442-M444 PolarHBondContact O-N 2.79Å; S442-Q445 WeakPolarHBondContact O-CB 3.41Å; S442-Q445 PolarHBondContact O-N 3.14Å; S442-Q445 VanDerWaalsContact O-N 3.15Å; S442-D446 VanDerWaalsContact O-CG 3.3Å; S442-D446 PolarHBondContact O-N 3.1Å
443	V	95.4	Very high	91.2	Very high	10 Å²	10	55 Å²	55	6%	0.061	27%	0.27	C	S	.	.	H	α-helix	trans	-59.9	-44.4	178.7	171.2	0	0	0	0	111	R429 V431 Q439 A440 Q445 D446 L447 L454	R429-V443 HydrophobicContact CB-CG2 4.31Å; R429-V443 HydrophobicContact CG-CG1 4.41Å; R429-V443 HydrophobicContact CG-CG2 4.33Å; V431-V443 HydrophobicContact CG2-CG2 4.35Å; Q439-V443 WeakPolarHBondContact O-CG2 3.23Å; Q439-V443 PolarHBondContact O-N 3.38Å; A440-V443 PolarHBondContact O-N 2.93Å; V443-Q445 VanDerWaalsContact C-N 3.33Å; V443-D446 PolarHBondContact O-N 3.13Å; V443-L447 WeakPolarHBondContact O-CA 3.43Å; V443-L447 WeakPolarHBondContact O-CB 3.3Å; V443-L447 PolarHBondContact O-N 2.85Å; V443-L454 HydrophobicContact CG1-CD1 3.76Å; V443-L454 HydrophobicContact CG1-CD2 3.9Å
444	M	96.2	Very high	91.5	Very high	2 Å²	2	52.8 Å²	52.8	1%	0.01	26%	0.263	C	S	.	.	H	α-helix	trans	-73.5	-25.5	178	-67.5	-60.4	145.8	0	0	113	A440 E441 S442 G448 L454 F472 Y473 F537 K540 L541 K544	A440-M444 WeakPolarHBondContact O-CG 3.43Å; A440-M444 PolarHBondContact O-N 2.9Å; E441-M444 PolarHBondContact O-N 3.18Å; S442-M444 VanDerWaalsContact C-N 3.34Å; S442-M444 PolarHBondContact O-N 2.79Å; M444-G448 VanDerWaalsContact O-CA 3.26Å; M444-G448 WeakPolarHBondContact O-CA 3.42Å; M444-G448 PolarHBondContact O-N 3.35Å; M444-G448 VanDerWaalsContact O-N 3.1Å; M444-L454 HydrophobicContact CE-CD2 3.7Å; M444-F472 HydrophobicContact CE-CE1 4.14Å; M444-Y473 HydrophobicContact CE-CE1 4.45Å; M444-F537 HydrophobicContact CB-CD2 3.89Å; M444-F537 HydrophobicContact CB-CE2 3.79Å; M444-F537 HydrophobicContact CG-CD2 4.06Å; M444-F537 HydrophobicContact CG-CE2 3.5Å; M444-K540 HydrophobicContact CB-CB 4.3Å; M444-L541 HydrophobicContact CE-CD1 3.72Å; M444-L541 HydrophobicContact CG-CD1 4.23Å; M444-L541 HydrophobicContact SD-CD1 4.24Å; M444-K544 HydrophobicContact CE-CG 4.19Å; M444-K544 HydrophobicContact SD-CB 3.85Å; M444-K544 HydrophobicContact SD-CG 3.89Å
445	Q	92.9	Very high	91.9	Very high	139 Å²	139	46 Å²	46	65%	0.65	23%	0.231	S	C	*	.	H	α-helix	trans	-67	-43.6	171	-179	167.1	-4.7	0	0	111.4	E441 S442 V443	E441-Q445 WeakPolarHBondContact O-CB 3.26Å; E441-Q445 PolarHBondContact O-N 3.35Å; S442-Q445 WeakPolarHBondContact O-CB 3.41Å; S442-Q445 PolarHBondContact O-N 3.14Å; S442-Q445 VanDerWaalsContact O-N 3.15Å; V443-Q445 VanDerWaalsContact C-N 3.33Å
446	D	90.8	Very high	92.1	Very high	95 Å²	95	41.5 Å²	41.5	51%	0.508	21%	0.21	S	C	.	.	H	α-helix	trans	-84.4	-40.4	-174.7	-63.1	-19.3	0	0	0	113.4	S442 V443	S442-D446 VanDerWaalsContact O-CG 3.3Å; S442-D446 PolarHBondContact O-N 3.1Å; V443-D446 PolarHBondContact O-N 3.13Å
447	L	90.9	Very high	92.1	Very high	11 Å²	11	43.1 Å²	43.1	6%	0.058	22%	0.217	C	C	.	.	H	α-helix	trans	-116.8	-5.6	-171.1	-64.4	-172.7	0	0	0	114.2	K427 R429 V443 S449 S450 L454	K427-L447 HydrophobicContact CB-CD1 4.02Å; K427-L447 HydrophobicContact CD-CD2 3.66Å; R429-L447 HydrophobicContact CG-CD1 3.53Å; V443-L447 WeakPolarHBondContact O-CA 3.43Å; V443-L447 WeakPolarHBondContact O-CB 3.3Å; V443-L447 PolarHBondContact O-N 2.85Å; L447-S449 VanDerWaalsContact C-N 3.3Å; L447-S449 PolarHBondContact O-N 3.24Å; L447-S450 WeakPolarHBondContact O-CB 3.42Å; L447-S450 PolarHBondContact O-N 3.48Å; L447-L454 HydrophobicContact CD1-CD1 3.81Å
448	G	88.8	Confident	91.9	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-43.4	-176.4	0	0	0	0	0	112.7	M444 S450 V686	M444-G448 VanDerWaalsContact O-CA 3.26Å; M444-G448 WeakPolarHBondContact O-CA 3.42Å; M444-G448 PolarHBondContact O-N 3.35Å; M444-G448 VanDerWaalsContact O-N 3.1Å; G448-S450 VanDerWaalsContact C-N 3.29Å; G448-S450 PolarHBondContact O-N 3.44Å; G448-V686 WeakPolarHBondContact O-CG1 3.44Å; G448-V686 WeakPolarHBondContact O-CG2 3.41Å
449	S	87.8	Confident	91.6	Very high	85 Å²	85	40.7 Å²	40.7	59%	0.594	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-0.7	177.2	58.3	0	0	0	0	113.9	L447	L447-S449 VanDerWaalsContact C-N 3.3Å; L447-S449 PolarHBondContact O-N 3.24Å
450	S	88.2	Confident	91.2	Very high	21 Å²	21	46.3 Å²	46.3	15%	0.147	24%	0.239	C	C	.	.			trans	-75.3	134.6	179.2	-167	0	0	0	0	110.9	L447 G448 A452 K544	L447-S450 WeakPolarHBondContact O-CB 3.42Å; L447-S450 PolarHBondContact O-N 3.48Å; G448-S450 VanDerWaalsContact C-N 3.29Å; G448-S450 PolarHBondContact O-N 3.44Å; S450-A452 PolarHBondContact O-N 2.91Å; S450-A452 PolarHBondContact OG-N 2.88Å; S450-K544 PolarHBondContact O-NZ 3.29Å; S450-K544 VanDerWaalsContact O-NZ 3.14Å
451	R	84.3	Confident	90.5	Very high	155 Å²	155	47.7 Å²	47.7	59%	0.585	25%	0.245	S	C	*	.	S	Bend	trans	-70.8	-12.4	171.3	-68.1	-171.7	178.5	172.3	0.4	113.4	R398 M547	R398-R451 PolarHBondContact NH2-O 3.38Å; R451-M547 HydrophobicContact CG-CE 4.49Å
452	A	87.1	Confident	89.2	Confident	8 Å²	8	51.3 Å²	51.3	7%	0.066	27%	0.27	C	S	.	.	S	Bend	trans	-73.8	140.3	176.7	0	0	0	0	0	111	D425 K427 S450 K544	D425-A452 HydrophobicContact CB-CB 4.01Å; D425-A452 CarbonylContact O-C 3.53Å; D425-A452 VanDerWaalsContact O-CA 3.29Å; D425-A452 WeakPolarHBondContact O-CA 3.34Å; K427-A452 HydrophobicContact CB-CB 4.12Å; K427-A452 HydrophobicContact CD-CB 3.85Å; K427-A452 HydrophobicContact CG-CB 3.62Å; S450-A452 PolarHBondContact O-N 2.91Å; S450-A452 PolarHBondContact OG-N 2.88Å; A452-K544 PolarHBondContact O-NZ 3.4Å
453	M	89.2	Confident	88	Confident	11 Å²	11	50.3 Å²	50.3	5%	0.054	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	131.5	172.4	-71.8	-71.9	-56.3	0	0	110.6	R398 L424 D425 R426 K427 D548	R398-M453 PolarHBondContact NH1-SD 2.81Å; L424-M453 HydrophobicContact CB-CG 4.11Å; L424-M453 HydrophobicContact CD1-CG 4.32Å; D425-M453 PolarHBondContact O-N 3.02Å; R426-M453 CarbonylContact C-O 3.56Å; R426-M453 WeakPolarHBondContact CA-O 3.32Å; R426-M453 HydrophobicContact CG-CB 4.04Å; K427-M453 PolarHBondContact N-O 3.4Å; M453-D548 HydrophobicContact CE-CB 3.77Å; M453-D548 WeakPolarHBondContact CE-O 3.48Å; M453-D548 HydrophobicContact SD-CB 3.82Å
454	L	92.2	Very high	87	Confident	6 Å²	6	52.1 Å²	52.1	3%	0.031	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	135.5	175.1	-175.4	62.6	0	0	0	110.7	R429 V443 M444 L447 I456 F472 D548	R429-L454 HydrophobicContact CB-CD1 4.41Å; R429-L454 HydrophobicContact CG-CD1 4.14Å; V443-L454 HydrophobicContact CG1-CD1 3.76Å; V443-L454 HydrophobicContact CG1-CD2 3.9Å; M444-L454 HydrophobicContact CE-CD2 3.7Å; L447-L454 HydrophobicContact CD1-CD1 3.81Å; L454-I456 HydrophobicContact CD1-CD1 4Å; L454-I456 HydrophobicContact CD2-CD1 3.95Å; L454-I456 HydrophobicContact CD2-CG1 4.46Å; L454-I456 HydrophobicContact CG-CD1 3.85Å; L454-I456 HydrophobicContact CG-CG1 4.33Å; L454-F472 HydrophobicContact CD2-CE1 4.26Å; L454-D548 WeakPolarHBondContact CB-OD2 3.45Å; L454-D548 PolarHBondContact N-OD2 2.84Å
455	E	91.9	Very high	86.3	Confident	38 Å²	38	52.8 Å²	52.8	18%	0.178	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	125	171	-174.1	177.8	145.8	0	0	109.8	K427 K428 R429 T464 G465	K427-E455 PolarHBondContact O-N 3.03Å; K428-E455 CarbonylContact C-O 3.55Å; K428-E455 VanDerWaalsContact CA-O 3.27Å; K428-E455 WeakPolarHBondContact CA-O 3.47Å; R429-E455 PolarHBondContact N-O 3.43Å; E455-T464 VanDerWaalsContact OE1-CB 3.26Å; E455-T464 WeakPolarHBondContact OE1-CB 3.39Å; E455-T464 PolarHBondContact OE1-OG1 3.33Å; E455-G465 PolarHBondContact OE1-N 2.98Å
456	I	92.6	Very high	85.8	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	140.9	-177.8	-57.6	-60.7	0	0	0	111	R429 V431 L454 Y458 T469 F472	R429-I456 HydrophobicContact CB-CD1 4.25Å; R429-I456 CarbonylContact O-C 3.47Å; R429-I456 WeakPolarHBondContact O-CA 3.35Å; V431-I456 HydrophobicContact CB-CG2 4.34Å; V431-I456 HydrophobicContact CG2-CD1 4.16Å; V431-I456 HydrophobicContact CG2-CG2 4.18Å; L454-I456 HydrophobicContact CD1-CD1 4Å; L454-I456 HydrophobicContact CD2-CD1 3.95Å; L454-I456 HydrophobicContact CD2-CG1 4.46Å; L454-I456 HydrophobicContact CG-CD1 3.85Å; L454-I456 HydrophobicContact CG-CG1 4.33Å; I456-Y458 HydrophobicContact CG2-CD2 4.43Å; I456-Y458 HydrophobicContact CG2-CE2 4.15Å; I456-T469 HydrophobicContact CG1-CG2 4.32Å; I456-T469 PolarHBondContact N-OG1 3.22Å; I456-F472 HydrophobicContact CB-CB 4.25Å; I456-F472 HydrophobicContact CD1-CD1 4.27Å; I456-F472 HydrophobicContact CD1-CD2 4.26Å; I456-F472 HydrophobicContact CD1-CE1 4.44Å; I456-F472 HydrophobicContact CD1-CE2 4.43Å; I456-F472 HydrophobicContact CD1-CG 4.18Å; I456-F472 HydrophobicContact CG1-CB 3.82Å; I456-F472 HydrophobicContact CG1-CD1 3.98Å; I456-F472 HydrophobicContact CG1-CD2 4.2Å; I456-F472 HydrophobicContact CG1-CG 3.74Å; I456-F472 HydrophobicContact CG2-CB 4.11Å; I456-F472 HydrophobicContact CG2-CD2 4.32Å; I456-F472 HydrophobicContact CG2-CG 4.39Å
457	Q	91.6	Very high	85.5	Confident	47 Å²	47	44.1 Å²	44.1	22%	0.22	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	140	163.8	178.9	169.3	19.3	0	0	108.1	R429 T430 V431 T464	R429-Q457 PolarHBondContact O-N 2.94Å; T430-Q457 CarbonylContact C-O 3.14Å; T430-Q457 VanDerWaalsContact CA-O 3.22Å; T430-Q457 WeakPolarHBondContact CA-O 3.3Å; T430-Q457 HydrophobicContact CG2-CG 4.5Å; V431-Q457 PolarHBondContact N-O 3.24Å; Q457-T464 HydrophobicContact CB-CG2 3.58Å; Q457-T464 HydrophobicContact CG-CG2 3.62Å
458	Y	89.8	Confident	85.4	Confident	1 Å²	1	43.8 Å²	43.8	0%	0.004	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	142.3	170.6	-68.4	-82.9	0	0	0	111.4	V431 R433 L436 I456 N460 E461 P468 F472 F827	V431-Y458 CarbonylContact O-C 3.41Å; V431-Y458 VanDerWaalsContact O-CA 3.25Å; V431-Y458 WeakPolarHBondContact O-CA 3.46Å; R433-Y458 HydrophobicContact CG-CD1 3.6Å; R433-Y458 HydrophobicContact CG-CE1 3.94Å; R433-Y458 HydrophobicContact CG-CG 4.38Å; L436-Y458 HydrophobicContact CD1-CE1 4.26Å; I456-Y458 HydrophobicContact CG2-CD2 4.43Å; I456-Y458 HydrophobicContact CG2-CE2 4.15Å; Y458-N460 PolarHBondContact O-N 3.22Å; Y458-E461 WeakPolarHBondContact CB-OE2 3.45Å; Y458-E461 PolarHBondContact O-N 3.14Å; Y458-P468 HydrophobicContact CD2-CB 4.13Å; Y458-P468 HydrophobicContact CE2-CB 4.03Å; Y458-F472 WeakPolarHBondContact OH-CA 3.42Å; Y458-F472 WeakPolarHBondContact OH-CB 3.45Å; Y458-F472 PolarHBondContact OH-N 3.05Å; Y458-F472 VanDerWaalsContact OH-N 3.16Å; Y458-F827 AromaticContact CD2-CE2 3.67Å; Y458-F827 HydrophobicContact CD2-CE2 3.67Å; Y458-F827 AromaticContact CE2-CE2 3.96Å; Y458-F827 HydrophobicContact CE2-CE2 3.96Å; Y458-F827 HydrophobicContact CE2-CZ 4.46Å
459	E	89.2	Confident	85.5	Confident	79 Å²	79	43.9 Å²	43.9	37%	0.369	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	136.3	175.9	-70.1	-176.6	178.1	0	0	110.7	T430 V431 N432 E461	T430-E459 HydrophobicContact CG2-CB 4.5Å; T430-E459 HydrophobicContact CG2-CG 3.57Å; V431-E459 PolarHBondContact O-N 3.09Å; N432-E459 HydrophobicContact CB-CG 4.4Å; N432-E459 WeakPolarHBondContact CB-OE2 3.23Å; N432-E459 PolarHBondContact ND2-OE2 2.73Å; E459-E461 PolarHBondContact O-N 3.35Å; E459-E461 VanDerWaalsContact O-N 3.1Å
460	N	85.3	Confident	85.7	Confident	160 Å²	160	41.1 Å²	41.1	86%	0.856	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.6	12.4	-179.9	-51	-47.8	0	0	0	115.6	Y458	Y458-N460 PolarHBondContact O-N 3.22Å
461	E	82.5	Confident	85.7	Confident	30 Å²	30	40.7 Å²	40.7	14%	0.14	22%	0.218	C	C	.	.			trans	-111.9	144.4	177.2	-71.1	173.5	-151.7	0	0	111.2	R433 Y458 E459 F827	R433-E461 WeakPolarHBondContact CD-OE1 3.31Å; R433-E461 IonicContact CZ-OE1 3.49Å; R433-E461 IonicContact CZ-OE2 2.93Å; R433-E461 IonicContact NE-OE1 2.99Å; R433-E461 PolarHBondContact NE-OE1 3.46Å; R433-E461 IonicContact NE-OE2 3.52Å; R433-E461 PolarHBondContact NE-OE2 3.45Å; R433-E461 IonicContact NH2-OE1 2.76Å; R433-E461 IonicContact NH2-OE2 3Å; R433-E461 PolarHBondContact NH2-OE2 2.66Å; Y458-E461 WeakPolarHBondContact CB-OE2 3.45Å; Y458-E461 PolarHBondContact O-N 3.14Å; E459-E461 PolarHBondContact O-N 3.35Å; E459-E461 VanDerWaalsContact O-N 3.1Å; E461-F827 HydrophobicContact CB-CD2 4.38Å; E461-F827 WeakPolarHBondContact OE2-CD2 3.24Å; E461-F827 WeakPolarHBondContact OE2-CE2 3.22Å
462	V	70.6	Confident	86.1	Confident	122 Å²	122	33.3 Å²	33.3	74%	0.739	19%	0.19	S	C	*	.	S	Bend	trans	-85.4	127.7	177.5	-175.2	0	0	0	0	108.5
463	G	70.5	Confident	86.5	Confident	36 Å²	36	33 Å²	33	37%	0.371	19%	0.187	S	C	.	.			trans	117	140.5	173.9	0	0	0	0	0	113.8
464	T	74.5	Confident	86.6	Confident	49 Å²	49	32.9 Å²	32.9	30%	0.301	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	162.8	172.9	77	0	0	0	0	108.2	E455 Q457	E455-T464 VanDerWaalsContact OE1-CB 3.26Å; E455-T464 WeakPolarHBondContact OE1-CB 3.39Å; E455-T464 PolarHBondContact OE1-OG1 3.33Å; Q457-T464 HydrophobicContact CB-CG2 3.58Å; Q457-T464 HydrophobicContact CG-CG2 3.62Å
465	G	80.9	Confident	86.6	Confident	15 Å²	15	33.1 Å²	33.1	16%	0.155	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	121.6	-149.6	177.2	0	0	0	0	0	113.2	E455 T469	E455-G465 PolarHBondContact OE1-N 2.98Å; G465-T469 WeakPolarHBondContact O-CB 3.32Å; G465-T469 PolarHBondContact O-N 3.38Å; G465-T469 PolarHBondContact O-OG1 3.49Å
466	L	83.1	Confident	86.7	Confident	52 Å²	52	31.3 Å²	31.3	27%	0.272	18%	0.181	S	C	.	.	H	α-helix	trans	-64.5	-47.7	-169.7	-178.6	62	0	0	0	112.9	T469 L470	L466-T469 WeakPolarHBondContact O-CB 3.47Å; L466-T469 PolarHBondContact O-N 3.19Å; L466-L470 HydrophobicContact CD1-CD1 4Å; L466-L470 HydrophobicContact CD1-CD2 4.42Å; L466-L470 HydrophobicContact CD1-CG 4Å; L466-L470 HydrophobicContact CD2-CD1 4.48Å; L466-L470 HydrophobicContact CG-CD1 3.84Å; L466-L470 HydrophobicContact CG-CG 4.27Å; L466-L470 WeakPolarHBondContact O-CG 3.39Å; L466-L470 PolarHBondContact O-N 3.3Å
467	G	84.9	Confident	86.8	Confident	1 Å²	1	31.3 Å²	31.3	1%	0.01	18%	0.181	C	C	.	.	H	α-helix	trans	-57.3	-59.4	-177.6	0	0	0	0	0	113.3	T469 L470 E471 C797	G467-T469 PolarHBondContact O-N 3.42Å; G467-L470 PolarHBondContact O-N 3.16Å; G467-L470 VanDerWaalsContact O-N 3.12Å; G467-E471 PolarHBondContact O-N 2.84Å; G467-C797 PolarHBondContact N-SG 3.07Å
468	P	88.3	Confident	86.8	Confident	3 Å²	3	32 Å²	32	2%	0.019	18%	0.184	C	C	.	.	H	α-helix	trans	-57.7	-32.2	176	-26.8	35.2	0	0	0	114	Y458 F472 F827	Y458-P468 HydrophobicContact CD2-CB 4.13Å; Y458-P468 HydrophobicContact CE2-CB 4.03Å; P468-F472 WeakPolarHBondContact O-CB 3.49Å; P468-F472 PolarHBondContact O-N 3.33Å; P468-F827 HydrophobicContact CB-CE2 4.18Å; P468-F827 HydrophobicContact CB-CZ 3.97Å; P468-F827 HydrophobicContact CG-CE1 4.2Å; P468-F827 HydrophobicContact CG-CE2 4.12Å; P468-F827 HydrophobicContact CG-CZ 3.79Å
469	T	92	Very high	87	Confident	2 Å²	2	33.5 Å²	33.5	1%	0.012	19%	0.192	C	C	.	.	H	α-helix	trans	-70.1	-42.2	176.4	-55.8	0	0	0	0	112.1	I456 G465 L466 G467 E471 F472 Y473	I456-T469 HydrophobicContact CG1-CG2 4.32Å; I456-T469 PolarHBondContact N-OG1 3.22Å; G465-T469 WeakPolarHBondContact O-CB 3.32Å; G465-T469 PolarHBondContact O-N 3.38Å; G465-T469 PolarHBondContact O-OG1 3.49Å; L466-T469 WeakPolarHBondContact O-CB 3.47Å; L466-T469 PolarHBondContact O-N 3.19Å; G467-T469 PolarHBondContact O-N 3.42Å; T469-E471 VanDerWaalsContact C-N 3.34Å; T469-F472 WeakPolarHBondContact O-CB 3.25Å; T469-F472 PolarHBondContact O-N 2.94Å; T469-Y473 HydrophobicContact CG2-CD2 4.31Å; T469-Y473 HydrophobicContact CG2-CE2 4.08Å; T469-Y473 VanDerWaalsContact O-CD2 3.3Å; T469-Y473 WeakPolarHBondContact O-CD2 3.32Å; T469-Y473 PolarHBondContact O-N 3.26Å
470	L	90.8	Very high	87.3	Confident	27 Å²	27	29.8 Å²	29.8	14%	0.141	17%	0.174	C	C	.	.	H	α-helix	trans	-63.6	-43	175	-70.3	171.2	0	0	0	110.8	L466 G467 F472 Y473 A474 T757 G758	L466-L470 HydrophobicContact CD1-CD1 4Å; L466-L470 HydrophobicContact CD1-CD2 4.42Å; L466-L470 HydrophobicContact CD1-CG 4Å; L466-L470 HydrophobicContact CD2-CD1 4.48Å; L466-L470 HydrophobicContact CG-CD1 3.84Å; L466-L470 HydrophobicContact CG-CG 4.27Å; L466-L470 WeakPolarHBondContact O-CG 3.39Å; L466-L470 PolarHBondContact O-N 3.3Å; G467-L470 PolarHBondContact O-N 3.16Å; G467-L470 VanDerWaalsContact O-N 3.12Å; L470-F472 VanDerWaalsContact C-N 3.29Å; L470-F472 PolarHBondContact O-N 2.87Å; L470-Y473 PolarHBondContact O-N 3.09Å; L470-A474 PolarHBondContact O-N 3.02Å; L470-T757 VanDerWaalsContact CD1-O 3.27Å; L470-T757 WeakPolarHBondContact CD1-O 3.28Å; L470-G758 CarbonylContact C-O 3.5Å; L470-G758 VanDerWaalsContact C-O 3.31Å
471	E	88.2	Confident	87.8	Confident	12 Å²	12	23.7 Å²	23.7	6%	0.056	14%	0.141	C	C	.	.	H	α-helix	trans	-60.8	-40.8	176.3	-164.4	-167.1	-174.2	0	0	111.2	R433 G467 T469 Y473 A474 L475 G758 Q825 F827	R433-E471 IonicContact CZ-OE1 3.68Å; R433-E471 IonicContact CZ-OE2 3.53Å; R433-E471 VanDerWaalsContact NH1-CD 3.34Å; R433-E471 IonicContact NH1-OE1 3.41Å; R433-E471 PolarHBondContact NH1-OE1 2.85Å; R433-E471 IonicContact NH1-OE2 2.66Å; R433-E471 PolarHBondContact NH1-OE2 3.08Å; R433-E471 IonicContact NH2-OE1 2.85Å; R433-E471 PolarHBondContact NH2-OE1 3.24Å; R433-E471 IonicContact NH2-OE2 3.37Å; R433-E471 PolarHBondContact NH2-OE2 3.47Å; G467-E471 PolarHBondContact O-N 2.84Å; T469-E471 VanDerWaalsContact C-N 3.34Å; E471-Y473 PolarHBondContact O-N 3.48Å; E471-A474 PolarHBondContact O-N 3.11Å; E471-L475 HydrophobicContact CG-CD1 3.82Å; E471-L475 HydrophobicContact CG-CG 4.07Å; E471-L475 WeakPolarHBondContact O-CB 3.33Å; E471-L475 WeakPolarHBondContact O-CG 3.47Å; E471-L475 PolarHBondContact O-N 3.42Å; E471-G758 WeakPolarHBondContact CA-O 3.45Å; E471-G758 PolarHBondContact N-O 3.23Å; E471-Q825 PolarHBondContact OE1-N 3.42Å; E471-F827 WeakPolarHBondContact OE2-CE2 3.28Å; E471-F827 WeakPolarHBondContact OE2-CZ 3.21Å
472	F	93.4	Very high	88.4	Confident	0 Å²	0	25.4 Å²	25.4	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-56.6	-47.1	175.8	170.2	-94.4	0	0	0	112.4	V431 L436 A440 M444 L454 I456 Y458 P468 T469 L470 A474 V476	V431-F472 HydrophobicContact CG1-CD2 4.42Å; V431-F472 HydrophobicContact CG1-CE2 4.29Å; V431-F472 HydrophobicContact CG2-CD2 4.48Å; V431-F472 HydrophobicContact CG2-CE2 4.24Å; L436-F472 HydrophobicContact CD1-CD2 3.88Å; L436-F472 HydrophobicContact CD1-CE2 4.12Å; A440-F472 HydrophobicContact CB-CE2 3.8Å; A440-F472 HydrophobicContact CB-CZ 3.53Å; M444-F472 HydrophobicContact CE-CE1 4.14Å; L454-F472 HydrophobicContact CD2-CE1 4.26Å; I456-F472 HydrophobicContact CB-CB 4.25Å; I456-F472 HydrophobicContact CD1-CD1 4.27Å; I456-F472 HydrophobicContact CD1-CD2 4.26Å; I456-F472 HydrophobicContact CD1-CE1 4.44Å; I456-F472 HydrophobicContact CD1-CE2 4.43Å; I456-F472 HydrophobicContact CD1-CG 4.18Å; I456-F472 HydrophobicContact CG1-CB 3.82Å; I456-F472 HydrophobicContact CG1-CD1 3.98Å; I456-F472 HydrophobicContact CG1-CD2 4.2Å; I456-F472 HydrophobicContact CG1-CG 3.74Å; I456-F472 HydrophobicContact CG2-CB 4.11Å; I456-F472 HydrophobicContact CG2-CD2 4.32Å; I456-F472 HydrophobicContact CG2-CG 4.39Å; Y458-F472 WeakPolarHBondContact OH-CA 3.42Å; Y458-F472 WeakPolarHBondContact OH-CB 3.45Å; Y458-F472 PolarHBondContact OH-N 3.05Å; Y458-F472 VanDerWaalsContact OH-N 3.16Å; P468-F472 WeakPolarHBondContact O-CB 3.49Å; P468-F472 PolarHBondContact O-N 3.33Å; T469-F472 WeakPolarHBondContact O-CB 3.25Å; T469-F472 PolarHBondContact O-N 2.94Å; L470-F472 VanDerWaalsContact C-N 3.29Å; L470-F472 PolarHBondContact O-N 2.87Å; F472-A474 PolarHBondContact O-N 3.23Å; F472-V476 HydrophobicContact CD2-CG2 4.09Å; F472-V476 HydrophobicContact CE1-CG2 4.31Å; F472-V476 HydrophobicContact CE2-CG2 3.83Å; F472-V476 HydrophobicContact CG-CG2 4.45Å; F472-V476 HydrophobicContact CZ-CG2 3.95Å; F472-V476 WeakPolarHBondContact O-CB 3.38Å; F472-V476 WeakPolarHBondContact O-CG2 3.4Å; F472-V476 PolarHBondContact O-N 2.92Å
473	Y	95.1	Very high	89.5	Confident	1 Å²	1	20.1 Å²	20.1	0%	0.004	12%	0.115	C	C	.	.	H	α-helix	trans	-64.9	-39.4	177.1	-80	-80.7	0	0	0	112.1	M444 T469 L470 E471 S477 L541 A545 R550 L551 V552	M444-Y473 HydrophobicContact CE-CE1 4.45Å; T469-Y473 HydrophobicContact CG2-CD2 4.31Å; T469-Y473 HydrophobicContact CG2-CE2 4.08Å; T469-Y473 VanDerWaalsContact O-CD2 3.3Å; T469-Y473 WeakPolarHBondContact O-CD2 3.32Å; T469-Y473 PolarHBondContact O-N 3.26Å; L470-Y473 PolarHBondContact O-N 3.09Å; E471-Y473 PolarHBondContact O-N 3.48Å; Y473-S477 WeakPolarHBondContact O-CB 3.49Å; Y473-S477 PolarHBondContact O-N 2.83Å; Y473-S477 PolarHBondContact O-OG 3.37Å; Y473-L541 HydrophobicContact CD1-CD1 3.79Å; Y473-L541 HydrophobicContact CD1-CG 4.32Å; Y473-L541 HydrophobicContact CE1-CD1 3.56Å; Y473-L541 HydrophobicContact CE1-CG 4.22Å; Y473-A545 HydrophobicContact CD1-CB 4.16Å; Y473-A545 HydrophobicContact CE1-CB 3.72Å; Y473-R550 HydrophobicContact CD2-CB 3.9Å; Y473-R550 HydrophobicContact CD2-CG 4.04Å; Y473-R550 HydrophobicContact CE2-CB 3.85Å; Y473-R550 HydrophobicContact CE2-CG 3.7Å; Y473-R550 HydrophobicContact CG-CB 4.35Å; Y473-L551 WeakPolarHBondContact CB-O 3.37Å; Y473-V552 HydrophobicContact CD1-CG2 4.28Å
474	A	91.3	Very high	90.7	Very high	9 Å²	9	22.3 Å²	22.3	7%	0.074	12%	0.118	C	C	.	.	H	α-helix	trans	-63.5	-49.9	177.4	0	0	0	0	0	111.9	L470 E471 F472 S477 Q478 P760	L470-A474 PolarHBondContact O-N 3.02Å; E471-A474 PolarHBondContact O-N 3.11Å; F472-A474 PolarHBondContact O-N 3.23Å; A474-S477 WeakPolarHBondContact O-CB 3.44Å; A474-S477 PolarHBondContact O-N 3.38Å; A474-Q478 PolarHBondContact O-N 3.23Å; A474-P760 HydrophobicContact CB-CG 4.26Å
475	L	91	Very high	91.7	Very high	11 Å²	11	20.5 Å²	20.5	6%	0.058	11%	0.107	C	C	.	.	H	α-helix	trans	-67.3	-39.8	-179.2	-66.8	174.6	0	0	0	112.3	L436 E471 S477 Q478 E479	L436-L475 HydrophobicContact CD2-CB 3.31Å; L436-L475 HydrophobicContact CD2-CD1 4.24Å; L436-L475 HydrophobicContact CD2-CG 4.4Å; E471-L475 HydrophobicContact CG-CD1 3.82Å; E471-L475 HydrophobicContact CG-CG 4.07Å; E471-L475 WeakPolarHBondContact O-CB 3.33Å; E471-L475 WeakPolarHBondContact O-CG 3.47Å; E471-L475 PolarHBondContact O-N 3.42Å; L475-S477 VanDerWaalsContact C-N 3.29Å; L475-S477 PolarHBondContact O-N 2.99Å; L475-Q478 WeakPolarHBondContact O-CB 3.34Å; L475-Q478 PolarHBondContact O-N 3Å; L475-E479 PolarHBondContact O-N 3.35Å
476	V	95.4	Very high	92.4	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-65.1	-36.4	175	172.5	0	0	0	0	111	L436 L437 A440 F472 Q478 E479 L480 F537 L541	L436-V476 HydrophobicContact CD1-CG2 4.23Å; L436-V476 HydrophobicContact CD2-CG2 4.12Å; L436-V476 HydrophobicContact CG-CG2 3.94Å; L437-V476 HydrophobicContact CD1-CG1 4.5Å; A440-V476 HydrophobicContact CB-CG1 4.08Å; A440-V476 HydrophobicContact CB-CG2 3.57Å; F472-V476 HydrophobicContact CD2-CG2 4.09Å; F472-V476 HydrophobicContact CE1-CG2 4.31Å; F472-V476 HydrophobicContact CE2-CG2 3.83Å; F472-V476 HydrophobicContact CG-CG2 4.45Å; F472-V476 HydrophobicContact CZ-CG2 3.95Å; F472-V476 WeakPolarHBondContact O-CB 3.38Å; F472-V476 WeakPolarHBondContact O-CG2 3.4Å; F472-V476 PolarHBondContact O-N 2.92Å; V476-Q478 VanDerWaalsContact C-N 3.31Å; V476-Q478 PolarHBondContact O-N 3.12Å; V476-E479 PolarHBondContact O-N 2.94Å; V476-L480 HydrophobicContact CG1-CD1 4.17Å; V476-L480 WeakPolarHBondContact O-CB 3.46Å; V476-L480 WeakPolarHBondContact O-CG 3.39Å; V476-L480 PolarHBondContact O-N 2.8Å; V476-F537 HydrophobicContact CG1-CE1 4.03Å; V476-F537 HydrophobicContact CG1-CZ 3.83Å; V476-L541 HydrophobicContact CG1-CD1 4.41Å; V476-L541 HydrophobicContact CG1-CD2 3.74Å
477	S	94.8	Very high	93.1	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-62.9	-38.3	173.8	-58.2	0	0	0	0	111.7	Y473 A474 L475 Q481 V552 D553 L554	Y473-S477 WeakPolarHBondContact O-CB 3.49Å; Y473-S477 PolarHBondContact O-N 2.83Å; Y473-S477 PolarHBondContact O-OG 3.37Å; A474-S477 WeakPolarHBondContact O-CB 3.44Å; A474-S477 PolarHBondContact O-N 3.38Å; L475-S477 VanDerWaalsContact C-N 3.29Å; L475-S477 PolarHBondContact O-N 2.99Å; S477-Q481 PolarHBondContact O-NE2 2.89Å; S477-V552 VanDerWaalsContact OG-CG1 3.31Å; S477-V552 WeakPolarHBondContact OG-CG1 3.33Å; S477-D553 WeakPolarHBondContact CB-O 3.38Å; S477-D553 PolarHBondContact OG-N 3.42Å; S477-L554 WeakPolarHBondContact O-CD2 3.04Å
478	Q	91.3	Very high	93.7	Very high	61 Å²	61	20.2 Å²	20.2	29%	0.285	10%	0.104	S	C	.	.	H	α-helix	trans	-67.5	-46.5	173.2	-171.8	179.9	15.8	0	0	111.8	A474 L475 V476 L480 Q481 Y507	A474-Q478 PolarHBondContact O-N 3.23Å; L475-Q478 WeakPolarHBondContact O-CB 3.34Å; L475-Q478 PolarHBondContact O-N 3Å; V476-Q478 VanDerWaalsContact C-N 3.31Å; V476-Q478 PolarHBondContact O-N 3.12Å; Q478-L480 PolarHBondContact O-N 2.9Å; Q478-Q481 WeakPolarHBondContact O-CB 3.45Å; Q478-Q481 PolarHBondContact O-N 2.84Å; Q478-Y507 HydrophobicContact CG-CD1 4.26Å; Q478-Y507 HydrophobicContact CG-CE1 3.77Å; Q478-Y507 WeakPolarHBondContact O-CD1 3.37Å; Q478-Y507 WeakPolarHBondContact O-CE1 3.48Å
479	E	93.5	Very high	93.9	Very high	34 Å²	34	20.9 Å²	20.9	16%	0.159	11%	0.106	C	C	.	.	H	α-helix	trans	-60.8	-33.6	178.6	-78.3	-60.5	106.7	0	0	112.7	L436 L437 L475 V476 Q481 R482 L485 Y507	L436-E479 HydrophobicContact CD2-CG 4.23Å; L437-E479 HydrophobicContact CB-CB 4.12Å; L437-E479 HydrophobicContact CB-CG 4.5Å; L437-E479 HydrophobicContact CD1-CB 4.35Å; L475-E479 PolarHBondContact O-N 3.35Å; V476-E479 PolarHBondContact O-N 2.94Å; E479-Q481 PolarHBondContact O-N 2.96Å; E479-R482 WeakPolarHBondContact O-CB 3.23Å; E479-R482 WeakPolarHBondContact O-CD 2.93Å; E479-R482 VanDerWaalsContact O-CG 3.3Å; E479-R482 WeakPolarHBondContact O-CG 3.42Å; E479-R482 PolarHBondContact O-N 3.1Å; E479-R482 WeakPolarHBondContact OE2-CD 3.2Å; E479-R482 IonicContact OE2-CZ 3.51Å; E479-R482 IonicContact OE2-NE 3.74Å; E479-R482 IonicContact OE2-NH1 3.73Å; E479-R482 PolarHBondContact OE2-NH1 2.75Å; E479-L485 VanDerWaalsContact O-CD1 3.26Å; E479-L485 WeakPolarHBondContact O-CD1 3.45Å; E479-Y507 PolarHBondContact OE1-OH 3.38Å
480	L	96.5	Very high	93.9	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.005	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-16	174.3	-78.6	166.7	0	0	0	113.4	L437 V476 Q478 L487 W488 F537 L538 L541 L554	L437-L480 HydrophobicContact CD1-CD2 4.07Å; L437-L480 HydrophobicContact CD1-CG 4.15Å; V476-L480 HydrophobicContact CG1-CD1 4.17Å; V476-L480 WeakPolarHBondContact O-CB 3.46Å; V476-L480 WeakPolarHBondContact O-CG 3.39Å; V476-L480 PolarHBondContact O-N 2.8Å; Q478-L480 PolarHBondContact O-N 2.9Å; L480-L487 HydrophobicContact CD2-CD1 4.28Å; L480-W488 PolarHBondContact O-NE1 3.04Å; L480-F537 HydrophobicContact CD1-CE1 4.11Å; L480-F537 HydrophobicContact CD2-CD1 4.04Å; L480-F537 HydrophobicContact CD2-CE1 4Å; L480-F537 HydrophobicContact CG-CE1 4.31Å; L480-L538 HydrophobicContact CD1-CD1 4.02Å; L480-L541 HydrophobicContact CD1-CD2 3.79Å; L480-L554 HydrophobicContact CB-CD2 4.32Å; L480-L554 HydrophobicContact CD1-CD1 4.29Å
481	Q	95.5	Very high	93.9	Very high	32 Å²	32	28.7 Å²	28.7	15%	0.15	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-1.7	178.3	-66	173.3	75.3	0	0	113.2	S477 Q478 E479 A483 Y507 I508 L514 L554	S477-Q481 PolarHBondContact O-NE2 2.89Å; Q478-Q481 WeakPolarHBondContact O-CB 3.45Å; Q478-Q481 PolarHBondContact O-N 2.84Å; E479-Q481 PolarHBondContact O-N 2.96Å; Q481-A483 PolarHBondContact O-N 2.92Å; Q481-Y507 HydrophobicContact CB-CD1 4.24Å; Q481-Y507 CarbonylContact O-C 3.54Å; Q481-Y507 WeakPolarHBondContact O-CA 3.39Å; Q481-I508 PolarHBondContact O-N 3.26Å; Q481-L514 HydrophobicContact CG-CD1 3.67Å; Q481-L554 HydrophobicContact CG-CD2 3.86Å
482	R	94.6	Very high	94.1	Very high	65 Å²	65	33.5 Å²	33.5	25%	0.245	18%	0.176	C	C	.	.	B	Isolated β-bridge	trans	-57.4	134.9	179.4	-77.4	173.6	48.8	174.5	1.5	113.1	E479 D484 L485 T505 K506 Y507	E479-R482 WeakPolarHBondContact O-CB 3.23Å; E479-R482 WeakPolarHBondContact O-CD 2.93Å; E479-R482 VanDerWaalsContact O-CG 3.3Å; E479-R482 WeakPolarHBondContact O-CG 3.42Å; E479-R482 PolarHBondContact O-N 3.1Å; E479-R482 WeakPolarHBondContact OE2-CD 3.2Å; E479-R482 IonicContact OE2-CZ 3.51Å; E479-R482 IonicContact OE2-NE 3.74Å; E479-R482 IonicContact OE2-NH1 3.73Å; E479-R482 PolarHBondContact OE2-NH1 2.75Å; R482-D484 VanDerWaalsContact C-N 3.33Å; R482-D484 WeakPolarHBondContact CB-OD1 3.43Å; R482-D484 IonicContact CZ-OD1 2.78Å; R482-D484 IonicContact CZ-OD2 2.84Å; R482-D484 IonicContact NE-OD1 2.74Å; R482-D484 PolarHBondContact NE-OD1 3.47Å; R482-D484 IonicContact NE-OD2 2.81Å; R482-D484 VanDerWaalsContact NH2-CG 3.33Å; R482-D484 IonicContact NH2-OD1 3.03Å; R482-D484 PolarHBondContact NH2-OD1 2.79Å; R482-D484 VanDerWaalsContact NH2-OD1 3.13Å; R482-D484 IonicContact NH2-OD2 2.72Å; R482-D484 PolarHBondContact NH2-OD2 3.43Å; R482-D484 PolarHBondContact O-N 2.83Å; R482-L485 HydrophobicContact CB-CD1 4.04Å; R482-L485 HydrophobicContact CB-CG 3.98Å; R482-L485 WeakPolarHBondContact O-CB 3.46Å; R482-L485 PolarHBondContact O-N 3.48Å; R482-T505 HydrophobicContact CG-CG2 3.81Å; R482-K506 WeakPolarHBondContact CA-O 3.48Å; R482-Y507 HydrophobicContact CG-CD1 3.99Å; R482-Y507 HydrophobicContact CG-CE1 3.6Å
483	A	94.9	Very high	93.9	Very high	11 Å²	11	35.7 Å²	35.7	9%	0.091	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-64.3	-35.2	-177.3	0	0	0	0	0	112.9	Q481 L485 C486 E492 K506 I508	Q481-A483 PolarHBondContact O-N 2.92Å; A483-L485 PolarHBondContact O-N 3.07Å; A483-L485 VanDerWaalsContact O-N 3.16Å; A483-C486 PolarHBondContact O-N 2.94Å; A483-E492 HydrophobicContact CB-CG 3.94Å; A483-K506 HydrophobicContact CB-CB 3.93Å; A483-K506 PolarHBondContact N-O 2.65Å; A483-I508 HydrophobicContact CB-CD1 3.73Å; A483-I508 HydrophobicContact CB-CG1 4.18Å
484	D	93.9	Very high	93.4	Very high	82 Å²	82	39.4 Å²	39.4	44%	0.439	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-69	-12	-179.4	71.4	-67.7	0	0	0	114.1	R482 C486	R482-D484 VanDerWaalsContact C-N 3.33Å; R482-D484 WeakPolarHBondContact CB-OD1 3.43Å; R482-D484 IonicContact CZ-OD1 2.78Å; R482-D484 IonicContact CZ-OD2 2.84Å; R482-D484 IonicContact NE-OD1 2.74Å; R482-D484 PolarHBondContact NE-OD1 3.47Å; R482-D484 IonicContact NE-OD2 2.81Å; R482-D484 VanDerWaalsContact NH2-CG 3.33Å; R482-D484 IonicContact NH2-OD1 3.03Å; R482-D484 PolarHBondContact NH2-OD1 2.79Å; R482-D484 VanDerWaalsContact NH2-OD1 3.13Å; R482-D484 IonicContact NH2-OD2 2.72Å; R482-D484 PolarHBondContact NH2-OD2 3.43Å; R482-D484 PolarHBondContact O-N 2.83Å; D484-C486 VanDerWaalsContact C-N 3.33Å
485	L	96.1	Very high	92.4	Very high	12 Å²	12	42.8 Å²	42.8	6%	0.063	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-78.8	-19.6	172.6	-58.1	179.2	0	0	0	112.5	L437 E479 R482 A483 L487	L437-L485 HydrophobicContact CD2-CD1 3.77Å; L437-L485 HydrophobicContact CD2-CD2 4.1Å; E479-L485 VanDerWaalsContact O-CD1 3.26Å; E479-L485 WeakPolarHBondContact O-CD1 3.45Å; R482-L485 HydrophobicContact CB-CD1 4.04Å; R482-L485 HydrophobicContact CB-CG 3.98Å; R482-L485 WeakPolarHBondContact O-CB 3.46Å; R482-L485 PolarHBondContact O-N 3.48Å; A483-L485 PolarHBondContact O-N 3.07Å; A483-L485 VanDerWaalsContact O-N 3.16Å; L485-L487 HydrophobicContact CB-CD1 4.05Å; L485-L487 HydrophobicContact CB-CD2 4.34Å; L485-L487 HydrophobicContact CB-CG 3.7Å; L485-L487 HydrophobicContact CD1-CD1 4.07Å; L485-L487 PolarHBondContact O-N 3.45Å
486	C	95.8	Very high	90.9	Very high	50 Å²	50	48 Å²	48	34%	0.338	27%	0.265	S	S	.	.			trans	51.9	39.8	-178.7	-51.7	0	0	0	0	113.3	A483 D484 L517	A483-C486 PolarHBondContact O-N 2.94Å; D484-C486 VanDerWaalsContact C-N 3.33Å; C486-L517 HydrophobicContact CB-CD2 4.23Å
487	L	97.7	Very high	88.8	Confident	4 Å²	4	51.8 Å²	51.8	2%	0.021	29%	0.285	C	S	.	.			trans	-86.9	-34.6	-178.5	-56.4	-177.5	0	0	0	112.5	L480 L485 A516 L517 V531 K534 F535	L480-L487 HydrophobicContact CD2-CD1 4.28Å; L485-L487 HydrophobicContact CB-CD1 4.05Å; L485-L487 HydrophobicContact CB-CD2 4.34Å; L485-L487 HydrophobicContact CB-CG 3.7Å; L485-L487 HydrophobicContact CD1-CD1 4.07Å; L485-L487 PolarHBondContact O-N 3.45Å; L487-A516 WeakPolarHBondContact O-CA 3.28Å; L487-L517 PolarHBondContact O-N 2.98Å; L487-V531 HydrophobicContact CD2-CB 4.3Å; L487-V531 HydrophobicContact CD2-CG1 3.85Å; L487-V531 HydrophobicContact CD2-CG2 4.25Å; L487-K534 HydrophobicContact CD1-CB 4Å; L487-K534 HydrophobicContact CD2-CB 3.68Å; L487-K534 HydrophobicContact CD2-CG 4.13Å; L487-F535 HydrophobicContact CB-CE2 4.18Å; L487-F535 HydrophobicContact CD2-CD2 4.29Å; L487-F535 HydrophobicContact CD2-CE2 4.1Å
488	W	97.1	Very high	86.5	Confident	7 Å²	7	56.5 Å²	56.5	3%	0.027	32%	0.316	C	S	.	.	B	Isolated β-bridge	trans	-121.5	148.2	-162.6	-49	117.8	0	0	0	112.3	L480 I508 L514 F515 F535 L538 L556 F560	L480-W488 PolarHBondContact O-NE1 3.04Å; W488-I508 HydrophobicContact CB-CB 4.18Å; W488-I508 HydrophobicContact CB-CG1 4.41Å; W488-I508 HydrophobicContact CB-CG2 3.83Å; W488-L514 HydrophobicContact CB-CD2 3.94Å; W488-L514 HydrophobicContact CD2-CB 4.02Å; W488-L514 HydrophobicContact CD2-CD1 4.42Å; W488-L514 HydrophobicContact CD2-CD2 4.46Å; W488-L514 HydrophobicContact CE3-CB 3.92Å; W488-L514 HydrophobicContact CG-CB 4.33Å; W488-L514 HydrophobicContact CG-CD2 3.92Å; W488-L514 HydrophobicContact CG-CG 4.48Å; W488-L514 HydrophobicContact CZ3-CB 4.42Å; W488-F515 WeakPolarHBondContact CA-O 3.45Å; W488-F535 HydrophobicContact CE3-CZ 4.31Å; W488-F535 HydrophobicContact CH2-CE1 4.01Å; W488-F535 HydrophobicContact CH2-CZ 4.02Å; W488-F535 AromaticContact CZ3-CE1 3.91Å; W488-F535 HydrophobicContact CZ3-CE1 3.91Å; W488-F535 AromaticContact CZ3-CZ 3.74Å; W488-F535 HydrophobicContact CZ3-CZ 3.74Å; W488-L538 HydrophobicContact CH2-CD2 3.64Å; W488-L538 HydrophobicContact CZ2-CD2 4.03Å; W488-L556 HydrophobicContact CH2-CD2 4.16Å; W488-L556 HydrophobicContact CZ3-CD2 4.41Å; W488-F560 HydrophobicContact CH2-CE2 4.08Å; W488-F560 HydrophobicContact CZ3-CD2 4.29Å; W488-F560 HydrophobicContact CZ3-CE2 4.05Å
489	R	93.9	Very high	84.3	Confident	17 Å²	17	61.3 Å²	61.3	6%	0.064	34%	0.336	C	S	.	.			trans	-77.9	143.1	161.7	-60.9	178.6	-177.2	-131	3.7	109.7	I508 F515 A516 L517 P518 F637 A667	R489-I508 WeakPolarHBondContact O-CG2 3.31Å; R489-F515 PolarHBondContact N-O 2.88Å; R489-A516 PolarHBondContact NE-O 2.82Å; R489-L517 HydrophobicContact CG-CD1 4.17Å; R489-P518 VanDerWaalsContact NH2-CG 3.32Å; R489-F637 HydrophobicContact CG-CZ 4.4Å; R489-A667 PolarHBondContact NH2-O 3.21Å
490	G	91.2	Very high	82	Confident	41 Å²	41	63 Å²	63	42%	0.423	36%	0.363	S	S	.	.	S	Bend	trans	152	-168.2	173.1	0	0	0	0	0	111.9	Q509	G490-Q509 WeakPolarHBondContact CA-O 3.17Å
491	E	90.4	Very high	79.5	Confident	152 Å²	152	68 Å²	68	71%	0.71	40%	0.399	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.2	139.1	178.8	-64.5	-177.4	171.9	0	0	110.3	V493 I508 Q509	E491-V493 PolarHBondContact O-N 3.26Å; E491-I508 WeakPolarHBondContact O-CA 3.48Å; E491-Q509 PolarHBondContact N-O 3.26Å; E491-Q509 PolarHBondContact O-N 3.2Å
492	E	93.3	Very high	77.3	Confident	114 Å²	114	75 Å²	75	53%	0.533	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	119.1	172.8	-68.8	-174.3	-176.6	0	0	109.9	A483 K506 Y507 I508	A483-E492 HydrophobicContact CB-CG 3.94Å; E492-K506 HydrophobicContact CB-CD 4.33Å; E492-K506 WeakPolarHBondContact OE2-CD 3.35Å; E492-K506 IonicContact OE2-NZ 3.58Å; E492-K506 PolarHBondContact OE2-NZ 2.71Å; E492-Y507 WeakPolarHBondContact CA-O 3.33Å; E492-I508 HydrophobicContact CG-CD1 3.93Å
493	V	89	Confident	75.5	Confident	46 Å²	46	81.3 Å²	81.3	28%	0.279	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	136.8	176	-175.8	0	0	0	0	109	E491 K506 Y507 Q509	E491-V493 PolarHBondContact O-N 3.26Å; V493-K506 WeakPolarHBondContact O-CA 3.45Å; V493-Y507 PolarHBondContact N-O 3.19Å; V493-Y507 PolarHBondContact O-N 2.92Å; V493-Q509 HydrophobicContact CG2-CB 3.93Å
494	T	84.7	Confident	74.3	Confident	79 Å²	79	81.8 Å²	81.8	49%	0.485	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	116.3	173.1	-52.8	0	0	0	0	108
495	L	70.7	Confident	73.7	Confident	79 Å²	79	81 Å²	81	41%	0.414	47%	0.468	S	S	.	.			trans	-78.7	138.2	172.5	-66.3	177.7	0	0	0	109.2	N497 Y507	L495-N497 PolarHBondContact O-N 2.85Å; L495-N497 VanDerWaalsContact O-N 3.09Å; L495-Y507 HydrophobicContact CB-CD2 4.14Å; L495-Y507 HydrophobicContact CB-CE2 4.22Å; L495-Y507 HydrophobicContact CD1-CD2 3.52Å; L495-Y507 HydrophobicContact CD1-CE2 3.79Å; L495-Y507 HydrophobicContact CD1-CG 4.02Å; L495-Y507 HydrophobicContact CG-CD2 3.73Å; L495-Y507 HydrophobicContact CG-CE2 4.21Å; L495-Y507 HydrophobicContact CG-CG 4.47Å
496	S	57.8	Low	73.5	Confident	120 Å²	120	85.2 Å²	85.2	84%	0.839	49%	0.485	S	S	*	.			trans	-60	111.7	174.3	-43	0	0	0	0	109.2	P498	S496-P498 WeakPolarHBondContact O-CD 3.14Å
497	N	52.5	Low	73.3	Confident	80 Å²	80	84.3 Å²	84.3	43%	0.428	48%	0.475	S	S	.	.			trans	-69.6	123.9	173.7	-169	-7.5	0	0	0	108.5	L495 K499	L495-N497 PolarHBondContact O-N 2.85Å; L495-N497 VanDerWaalsContact O-N 3.09Å; N497-K499 PolarHBondContact ND2-O 3.18Å; N497-K499 PolarHBondContact O-N 3.37Å; N497-K499 PolarHBondContact OD1-N 3.02Å
498	P	46.3	Very low	73.1	Confident	100 Å²	100	84.7 Å²	84.7	65%	0.649	48%	0.477	S	S	*	.	S	Bend	trans	-60	-24.6	175.7	20.7	-31.2	0	0	0	112.4	S496 G500	S496-P498 WeakPolarHBondContact O-CD 3.14Å; P498-G500 PolarHBondContact O-N 2.93Å
499	K	45.3	Very low	72.7	Confident	161 Å²	161	89.4 Å²	89.4	70%	0.7	50%	0.499	S	S	*	.	S	Bend	trans	-94	83	170.6	-63.9	-176.8	-177.1	176.3	0	109.1	N497 S501	N497-K499 PolarHBondContact ND2-O 3.18Å; N497-K499 PolarHBondContact O-N 3.37Å; N497-K499 PolarHBondContact OD1-N 3.02Å; K499-S501 PolarHBondContact O-N 3.23Å
500	G	43.8	Very low	72.4	Confident	71 Å²	71	90 Å²	90	73%	0.732	50%	0.504	S	S	*	.			trans	-59.1	88.4	-177	0	0	0	0	0	113.7	P498	P498-G500 PolarHBondContact O-N 2.93Å
501	S	45.9	Very low	72	Confident	106 Å²	106	95.4 Å²	95.4	74%	0.741	52%	0.522	S	S	*	.			trans	170.8	97.9	149.5	51.8	0	0	0	0	110.6	K499	K499-S501 PolarHBondContact O-N 3.23Å
502	Q	48.5	Very low	71.8	Confident	177 Å²	177	91.7 Å²	91.7	83%	0.827	51%	0.505	S	S	*	.	S	Bend	trans	173.8	152.4	151.7	-96.7	174.6	25	0	0	105.9	G504	Q502-G504 PolarHBondContact O-N 2.84Å
503	E	56.5	Low	71.7	Confident	199 Å²	199	86.6 Å²	86.6	93%	0.93	48%	0.483	S	S	*	.	S	Bend	trans	-46.9	114.5	172.6	-76.4	-179.3	152.9	0	0	108.5	T505	E503-T505 PolarHBondContact O-N 2.69Å
504	G	69.1	Low	72.1	Confident	21 Å²	21	84.4 Å²	84.4	22%	0.216	47%	0.47	C	S	.	.	P	Polyproline II helix	trans	-60.6	139.8	-168.3	0	0	0	0	0	111.1	Q502 K506	Q502-G504 PolarHBondContact O-N 2.84Å; G504-K506 PolarHBondContact O-N 3.21Å
505	T	82.4	Confident	72.7	Confident	66 Å²	66	80.7 Å²	80.7	41%	0.405	45%	0.447	S	S	.	.	P	Polyproline II helix	trans	-53.5	127.2	170.7	-56.2	0	0	0	0	109	R482 E503 Y507	R482-T505 HydrophobicContact CG-CG2 3.81Å; E503-T505 PolarHBondContact O-N 2.69Å; T505-Y507 HydrophobicContact CG2-CD2 4.44Å; T505-Y507 HydrophobicContact CG2-CE1 4.28Å; T505-Y507 HydrophobicContact CG2-CE2 3.73Å; T505-Y507 VanDerWaalsContact O-CD2 3.27Å; T505-Y507 WeakPolarHBondContact O-CD2 3.37Å; T505-Y507 VanDerWaalsContact O-CE2 3.27Å; T505-Y507 WeakPolarHBondContact O-CE2 3.3Å
506	K	90.8	Very high	74	Confident	99 Å²	99	76.9 Å²	76.9	43%	0.43	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	137.6	177.5	-64.1	-175.9	174.8	-176.3	0	110.7	R482 A483 E492 V493 G504	R482-K506 WeakPolarHBondContact CA-O 3.48Å; A483-K506 HydrophobicContact CB-CB 3.93Å; A483-K506 PolarHBondContact N-O 2.65Å; E492-K506 HydrophobicContact CB-CD 4.33Å; E492-K506 WeakPolarHBondContact OE2-CD 3.35Å; E492-K506 IonicContact OE2-NZ 3.58Å; E492-K506 PolarHBondContact OE2-NZ 2.71Å; V493-K506 WeakPolarHBondContact O-CA 3.45Å; G504-K506 PolarHBondContact O-N 3.21Å
507	Y	91.8	Very high	75.8	Confident	31 Å²	31	73.2 Å²	73.2	12%	0.122	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	154	177.5	-61.8	-91.9	0	0	0	109.7	Q478 E479 Q481 R482 E492 V493 L495 T505	Q478-Y507 HydrophobicContact CG-CD1 4.26Å; Q478-Y507 HydrophobicContact CG-CE1 3.77Å; Q478-Y507 WeakPolarHBondContact O-CD1 3.37Å; Q478-Y507 WeakPolarHBondContact O-CE1 3.48Å; E479-Y507 PolarHBondContact OE1-OH 3.38Å; Q481-Y507 HydrophobicContact CB-CD1 4.24Å; Q481-Y507 CarbonylContact O-C 3.54Å; Q481-Y507 WeakPolarHBondContact O-CA 3.39Å; R482-Y507 HydrophobicContact CG-CD1 3.99Å; R482-Y507 HydrophobicContact CG-CE1 3.6Å; E492-Y507 WeakPolarHBondContact CA-O 3.33Å; V493-Y507 PolarHBondContact N-O 3.19Å; V493-Y507 PolarHBondContact O-N 2.92Å; L495-Y507 HydrophobicContact CB-CD2 4.14Å; L495-Y507 HydrophobicContact CB-CE2 4.22Å; L495-Y507 HydrophobicContact CD1-CD2 3.52Å; L495-Y507 HydrophobicContact CD1-CE2 3.79Å; L495-Y507 HydrophobicContact CD1-CG 4.02Å; L495-Y507 HydrophobicContact CG-CD2 3.73Å; L495-Y507 HydrophobicContact CG-CE2 4.21Å; L495-Y507 HydrophobicContact CG-CG 4.47Å; T505-Y507 HydrophobicContact CG2-CD2 4.44Å; T505-Y507 HydrophobicContact CG2-CE1 4.28Å; T505-Y507 HydrophobicContact CG2-CE2 3.73Å; T505-Y507 VanDerWaalsContact O-CD2 3.27Å; T505-Y507 WeakPolarHBondContact O-CD2 3.37Å; T505-Y507 VanDerWaalsContact O-CE2 3.27Å; T505-Y507 WeakPolarHBondContact O-CE2 3.3Å
508	I	94.4	Very high	77.9	Confident	13 Å²	13	69.8 Å²	69.8	7%	0.067	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	125.9	174.4	-58.9	-60	0	0	0	109	Q481 A483 W488 R489 E491 E492 L514	Q481-I508 PolarHBondContact O-N 3.26Å; A483-I508 HydrophobicContact CB-CD1 3.73Å; A483-I508 HydrophobicContact CB-CG1 4.18Å; W488-I508 HydrophobicContact CB-CB 4.18Å; W488-I508 HydrophobicContact CB-CG1 4.41Å; W488-I508 HydrophobicContact CB-CG2 3.83Å; R489-I508 WeakPolarHBondContact O-CG2 3.31Å; E491-I508 WeakPolarHBondContact O-CA 3.48Å; E492-I508 HydrophobicContact CG-CD1 3.93Å; I508-L514 HydrophobicContact CG2-CD2 4.17Å
509	Q	88.4	Confident	80.3	Confident	106 Å²	106	65.7 Å²	65.7	50%	0.495	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	138.8	170.4	-168.8	172.8	-3.8	0	0	109.9	G490 E491 V493	G490-Q509 WeakPolarHBondContact CA-O 3.17Å; E491-Q509 PolarHBondContact N-O 3.26Å; E491-Q509 PolarHBondContact O-N 3.2Å; V493-Q509 HydrophobicContact CG2-CB 3.93Å
510	N	87.1	Confident	82.6	Confident	30 Å²	30	58.4 Å²	58.4	16%	0.16	32%	0.323	C	S	.	.			trans	-140.2	124.7	170.8	-171.7	-29	0	0	0	108.9	Q512 G513 I579	N510-Q512 PolarHBondContact O-N 3.03Å; N510-Q512 PolarHBondContact OD1-N 3.07Å; N510-G513 WeakPolarHBondContact CB-O 3.19Å; N510-G513 VanDerWaalsContact CG-O 3.25Å; N510-G513 PolarHBondContact ND2-O 2.98Å; N510-G513 PolarHBondContact O-N 2.95Å; N510-I579 PolarHBondContact ND2-O 3.49Å; N510-I579 VanDerWaalsContact ND2-O 3.11Å
511	L	84.3	Confident	84.8	Confident	154 Å²	154	59.3 Å²	59.3	81%	0.806	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-25.5	-178	-64.8	176.5	0	0	0	113.3	G513	L511-G513 VanDerWaalsContact C-N 3.33Å
512	Q	86.1	Confident	86.9	Confident	73 Å²	73	60.1 Å²	60.1	34%	0.341	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91	-1.2	176.2	-55	-54.9	-50.1	0	0	112.8	N510 D578 P581	N510-Q512 PolarHBondContact O-N 3.03Å; N510-Q512 PolarHBondContact OD1-N 3.07Å; Q512-D578 VanDerWaalsContact CB-C 3.49Å; Q512-D578 WeakPolarHBondContact CB-O 3.37Å; Q512-P581 HydrophobicContact CG-CG 3.63Å
513	G	91.3	Very high	89.1	Confident	7 Å²	7	52.8 Å²	52.8	7%	0.072	27%	0.274	C	S	.	.			trans	97.4	162.3	-174.8	0	0	0	0	0	113.4	N510 L511 P555	N510-G513 WeakPolarHBondContact CB-O 3.19Å; N510-G513 VanDerWaalsContact CG-O 3.25Å; N510-G513 PolarHBondContact ND2-O 2.98Å; N510-G513 PolarHBondContact O-N 2.95Å; L511-G513 VanDerWaalsContact C-N 3.33Å; G513-P555 CarbonylContact C-O 3.54Å; G513-P555 WeakPolarHBondContact CA-O 3.43Å
514	L	95.6	Very high	91	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.005	26%	0.264	C	S	.	.	B	Isolated β-bridge	trans	-73.3	133.9	-176.2	-60.7	169	0	0	0	110.7	Q481 W488 I508 L554 P555 L556 G557	Q481-L514 HydrophobicContact CG-CD1 3.67Å; W488-L514 HydrophobicContact CB-CD2 3.94Å; W488-L514 HydrophobicContact CD2-CB 4.02Å; W488-L514 HydrophobicContact CD2-CD1 4.42Å; W488-L514 HydrophobicContact CD2-CD2 4.46Å; W488-L514 HydrophobicContact CE3-CB 3.92Å; W488-L514 HydrophobicContact CG-CB 4.33Å; W488-L514 HydrophobicContact CG-CD2 3.92Å; W488-L514 HydrophobicContact CG-CG 4.48Å; W488-L514 HydrophobicContact CZ3-CB 4.42Å; I508-L514 HydrophobicContact CG2-CD2 4.17Å; L514-L554 HydrophobicContact CD1-CD2 4.24Å; L514-P555 HydrophobicContact CD1-CG 4.03Å; L514-P555 HydrophobicContact CG-CG 4.19Å; L514-P555 PolarHBondContact N-O 3.34Å; L514-L556 HydrophobicContact CB-CD2 4.32Å; L514-G557 PolarHBondContact O-N 3Å
515	F	97.5	Very high	92.3	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	29%	0.287	C	S	.	.			trans	-139.5	152.7	171.5	-169	-106.5	0	0	0	110.4	W488 R489 P559 F560 I579 V672 F676	W488-F515 WeakPolarHBondContact CA-O 3.45Å; R489-F515 PolarHBondContact N-O 2.88Å; F515-P559 HydrophobicContact CD2-CB 4.03Å; F515-P559 HydrophobicContact CE2-CB 3.72Å; F515-P559 HydrophobicContact CZ-CB 4.39Å; F515-F560 HydrophobicContact CD2-CB 4.43Å; F515-I579 HydrophobicContact CB-CD1 4.39Å; F515-I579 HydrophobicContact CB-CG1 3.87Å; F515-I579 HydrophobicContact CB-CG2 4.19Å; F515-I579 HydrophobicContact CD1-CD1 3.47Å; F515-I579 VanDerWaalsContact CD1-CD1 3.47Å; F515-I579 HydrophobicContact CD1-CG1 3.86Å; F515-I579 HydrophobicContact CD1-CG2 4Å; F515-I579 HydrophobicContact CD2-CD1 4.11Å; F515-I579 HydrophobicContact CD2-CG1 4.32Å; F515-I579 HydrophobicContact CE1-CD1 3.61Å; F515-I579 HydrophobicContact CE1-CG1 4.48Å; F515-I579 HydrophobicContact CE2-CD1 4.23Å; F515-I579 HydrophobicContact CG-CD1 3.72Å; F515-I579 HydrophobicContact CG-CG1 3.75Å; F515-I579 HydrophobicContact CG-CG2 4.4Å; F515-I579 HydrophobicContact CZ-CD1 3.99Å; F515-V672 HydrophobicContact CE1-CG1 4.02Å; F515-V672 HydrophobicContact CE1-CG2 4.28Å; F515-V672 HydrophobicContact CZ-CG2 4.05Å; F515-F676 HydrophobicContact CD2-CE2 4.42Å; F515-F676 AromaticContact CD2-CZ 3.99Å; F515-F676 HydrophobicContact CD2-CZ 3.99Å; F515-F676 AromaticContact CE2-CE2 3.66Å; F515-F676 HydrophobicContact CE2-CE2 3.66Å; F515-F676 AromaticContact CE2-CZ 3.49Å; F515-F676 HydrophobicContact CE2-CZ 3.49Å; F515-F676 VanDerWaalsContact CE2-CZ 3.49Å; F515-F676 AromaticContact CZ-CE2 3.77Å; F515-F676 HydrophobicContact CZ-CE2 3.77Å; F515-F676 HydrophobicContact CZ-CZ 4.11Å
516	A	97.8	Very high	93	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	30%	0.299	C	S	.	.	B	Isolated β-bridge	trans	-62.5	138.9	-170.4	0	0	0	0	0	112.8	L487 R489 F535 V672 Q675 F676	L487-A516 WeakPolarHBondContact O-CA 3.28Å; R489-A516 PolarHBondContact NE-O 2.82Å; A516-F535 HydrophobicContact CB-CE1 4.14Å; A516-F535 HydrophobicContact CB-CZ 3.64Å; A516-V672 HydrophobicContact CB-CB 4.11Å; A516-V672 HydrophobicContact CB-CG1 3.87Å; A516-Q675 HydrophobicContact CB-CB 4.4Å; A516-Q675 HydrophobicContact CB-CG 4.46Å; A516-F676 HydrophobicContact CB-CE2 3.94Å; A516-F676 HydrophobicContact CB-CZ 4.33Å
517	L	96.3	Very high	93.3	Very high	43 Å²	43	54.3 Å²	54.3	23%	0.225	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-67.8	128.7	169.4	-163.9	78.7	0	0	0	109.4	C486 L487 R489 F637 Q675	C486-L517 HydrophobicContact CB-CD2 4.23Å; L487-L517 PolarHBondContact O-N 2.98Å; R489-L517 HydrophobicContact CG-CD1 4.17Å; L517-F637 HydrophobicContact CD1-CE1 3.73Å; L517-F637 HydrophobicContact CD1-CZ 3.99Å; L517-F637 HydrophobicContact CG-CE1 4.37Å; L517-Q675 PolarHBondContact O-NE2 3.22Å
518	P	97	Very high	93.5	Very high	8 Å²	8	53.5 Å²	53.5	5%	0.052	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-75.9	147.6	-175.3	33	-37.1	0	0	0	112	R489 L634 F637 I640 G671 V672	R489-P518 VanDerWaalsContact NH2-CG 3.32Å; P518-L634 HydrophobicContact CB-CD2 4.14Å; P518-L634 HydrophobicContact CG-CD2 3.78Å; P518-F637 HydrophobicContact CG-CD1 4.15Å; P518-F637 HydrophobicContact CG-CD2 3.99Å; P518-F637 HydrophobicContact CG-CE1 4.04Å; P518-F637 HydrophobicContact CG-CE2 3.89Å; P518-F637 HydrophobicContact CG-CG 4.13Å; P518-F637 HydrophobicContact CG-CZ 3.92Å; P518-I640 HydrophobicContact CB-CD1 4.07Å; P518-I640 HydrophobicContact CG-CD1 3.84Å; P518-G671 CarbonylContact C-O 3.52Å; P518-G671 VanDerWaalsContact CA-O 3.3Å; P518-G671 WeakPolarHBondContact CA-O 3.45Å; P518-V672 HydrophobicContact CB-CG1 4.39Å
519	F	96.6	Very high	93.7	Very high	13 Å²	13	55.3 Å²	55.3	6%	0.057	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-95.2	134.9	168.7	-63.9	-43.9	0	0	0	111.4	A523 H527 I528 V531 G671 R674 Q675	F519-A523 HydrophobicContact CB-CB 4.24Å; F519-A523 HydrophobicContact CD1-CB 4.31Å; F519-H527 AromaticContact CE1-CD2 3.8Å; F519-H527 AromaticContact CE1-NE2 3.65Å; F519-I528 HydrophobicContact CD1-CG1 4.24Å; F519-I528 HydrophobicContact CD2-CG1 4.27Å; F519-I528 HydrophobicContact CD2-CG2 4.27Å; F519-I528 HydrophobicContact CE1-CG1 4.3Å; F519-I528 HydrophobicContact CE2-CB 4.37Å; F519-I528 HydrophobicContact CE2-CG1 4.3Å; F519-I528 HydrophobicContact CE2-CG2 3.89Å; F519-I528 HydrophobicContact CG-CG1 4.24Å; F519-I528 HydrophobicContact CZ-CB 4.43Å; F519-I528 HydrophobicContact CZ-CG1 4.32Å; F519-I528 HydrophobicContact CZ-CG2 4.39Å; F519-V531 HydrophobicContact CE1-CB 4.36Å; F519-V531 HydrophobicContact CE1-CG1 4.39Å; F519-V531 HydrophobicContact CE1-CG2 4.3Å; F519-V531 HydrophobicContact CE2-CG1 4.45Å; F519-V531 HydrophobicContact CZ-CB 3.69Å; F519-V531 HydrophobicContact CZ-CG1 3.61Å; F519-V531 HydrophobicContact CZ-CG2 4.12Å; F519-G671 PolarHBondContact N-O 3.03Å; F519-R674 HydrophobicContact CD2-CB 4.36Å; F519-R674 HydrophobicContact CE2-CB 4.41Å; F519-Q675 VanDerWaalsContact CD2-CD 3.45Å; F519-Q675 HydrophobicContact CD2-CG 4.45Å; F519-Q675 VanDerWaalsContact CD2-OE1 3.24Å; F519-Q675 HydrophobicContact CE2-CG 3.7Å; F519-Q675 HydrophobicContact CZ-CG 4.07Å
520	G	93.5	Very high	94.1	Very high	9 Å²	9	55.5 Å²	55.5	9%	0.093	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-80.7	164.1	160.6	0	0	0	0	0	112	T522 A523	G520-T522 PolarHBondContact O-N 3.35Å; G520-A523 WeakPolarHBondContact O-CB 3.47Å; G520-A523 PolarHBondContact O-N 3.04Å; G520-A523 VanDerWaalsContact O-N 3.07Å
521	R	89.9	Confident	94.7	Very high	90 Å²	90	54.1 Å²	54.1	34%	0.34	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-28.5	176.5	-68.1	-155.7	164.2	-144.1	-13.8	114	D273 W276 A523 W666 E670	D273-R521 IonicContact OD1-NH2 3.46Å; D273-R521 PolarHBondContact OD1-NH2 3.25Å; D273-R521 IonicContact OD2-CZ 3.01Å; D273-R521 IonicContact OD2-NH1 3.43Å; D273-R521 PolarHBondContact OD2-NH1 3.08Å; D273-R521 IonicContact OD2-NH2 3.82Å; D273-R521 PolarHBondContact OD2-NH2 3.4Å; W276-R521 VanDerWaalsContact CB-CZ 3.47Å; W276-R521 VanDerWaalsContact CD2-CD 3.5Å; W276-R521 HydrophobicContact CE3-CG 4.31Å; W276-R521 VanDerWaalsContact CG-NH1 3.34Å; W276-R521 HydrophobicContact CZ3-CG 4.27Å; R521-A523 VanDerWaalsContact C-N 3.3Å; R521-W666 HydrophobicContact CG-CH2 3.86Å; R521-E670 IonicContact NH2-OE1 3.32Å
522	T	90.7	Very high	95.4	Very high	122 Å²	122	50.5 Å²	50.5	75%	0.748	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	1.3	179.6	55	0	0	0	0	113	G520 K524	G520-T522 PolarHBondContact O-N 3.35Å; T522-K524 PolarHBondContact O-N 3.47Å
523	A	94.3	Very high	95.9	Very high	24 Å²	24	53.2 Å²	53.2	20%	0.198	29%	0.291	C	S	.	.	S	Bend	trans	-59.4	133.6	178.6	0	0	0	0	0	111.2	F519 G520 R521 I528	F519-A523 HydrophobicContact CB-CB 4.24Å; F519-A523 HydrophobicContact CD1-CB 4.31Å; G520-A523 WeakPolarHBondContact O-CB 3.47Å; G520-A523 PolarHBondContact O-N 3.04Å; G520-A523 VanDerWaalsContact O-N 3.07Å; R521-A523 VanDerWaalsContact C-N 3.3Å; A523-I528 HydrophobicContact CB-CD1 3.85Å; A523-I528 HydrophobicContact CB-CG1 3.98Å
524	K	96.1	Very high	96.3	Very high	163 Å²	163	53.9 Å²	53.9	71%	0.709	29%	0.292	S	S	*	.			trans	-60.3	128.8	-175.4	-66.7	178.8	-179.5	175.7	0	110.4	T522 A526 H527 I528	T522-K524 PolarHBondContact O-N 3.47Å; K524-A526 VanDerWaalsContact C-N 3.26Å; K524-A526 PolarHBondContact O-N 3.09Å; K524-A526 VanDerWaalsContact O-N 3.15Å; K524-H527 HydrophobicContact CB-CB 4.27Å; K524-H527 WeakPolarHBondContact O-CB 3.34Å; K524-H527 PolarHBondContact O-N 3.26Å; K524-I528 PolarHBondContact O-N 2.74Å; K524-I528 VanDerWaalsContact O-N 3.11Å
525	P	96.7	Very high	96.4	Very high	108 Å²	108	53.9 Å²	53.9	70%	0.701	29%	0.292	S	S	*	.	H	α-helix	trans	-54.4	-38.1	-178.3	-29.8	35.6	0	0	0	114.5	H527 I528 A529	P525-H527 PolarHBondContact O-N 2.86Å; P525-I528 PolarHBondContact O-N 3.37Å; P525-A529 WeakPolarHBondContact O-CB 3.28Å; P525-A529 PolarHBondContact O-N 3.05Å
526	A	97.4	Very high	96.5	Very high	79 Å²	79	58.6 Å²	58.6	65%	0.653	31%	0.31	S	S	*	.	H	α-helix	trans	-63.3	-39.4	177.1	0	0	0	0	0	112.8	K524 A529 K530	K524-A526 VanDerWaalsContact C-N 3.26Å; K524-A526 PolarHBondContact O-N 3.09Å; K524-A526 VanDerWaalsContact O-N 3.15Å; A526-A529 PolarHBondContact O-N 3.46Å; A526-K530 PolarHBondContact O-N 3.03Å
527	H	95.9	Very high	96.5	Very high	67 Å²	67	59 Å²	59	31%	0.31	31%	0.312	S	S	.	.	H	α-helix	trans	-66.9	-46	176.1	172.3	68.3	0	0	0	111	F519 K524 P525 A529 K530 V531	F519-H527 AromaticContact CE1-CD2 3.8Å; F519-H527 AromaticContact CE1-NE2 3.65Å; K524-H527 HydrophobicContact CB-CB 4.27Å; K524-H527 WeakPolarHBondContact O-CB 3.34Å; K524-H527 PolarHBondContact O-N 3.26Å; P525-H527 PolarHBondContact O-N 2.86Å; H527-A529 VanDerWaalsContact C-N 3.3Å; H527-A529 PolarHBondContact O-N 3.1Å; H527-K530 PolarHBondContact O-N 3.38Å; H527-V531 PolarHBondContact O-N 3.39Å
528	I	97.2	Very high	96.6	Very high	14 Å²	14	57.1 Å²	57.1	7%	0.072	30%	0.302	C	S	.	.	H	α-helix	trans	-57.3	-45.9	175.8	-60.6	179.1	0	0	0	110.4	F519 A523 K524 P525 K530 V531 K532 R674	F519-I528 HydrophobicContact CD1-CG1 4.24Å; F519-I528 HydrophobicContact CD2-CG1 4.27Å; F519-I528 HydrophobicContact CD2-CG2 4.27Å; F519-I528 HydrophobicContact CE1-CG1 4.3Å; F519-I528 HydrophobicContact CE2-CB 4.37Å; F519-I528 HydrophobicContact CE2-CG1 4.3Å; F519-I528 HydrophobicContact CE2-CG2 3.89Å; F519-I528 HydrophobicContact CG-CG1 4.24Å; F519-I528 HydrophobicContact CZ-CB 4.43Å; F519-I528 HydrophobicContact CZ-CG1 4.32Å; F519-I528 HydrophobicContact CZ-CG2 4.39Å; A523-I528 HydrophobicContact CB-CD1 3.85Å; A523-I528 HydrophobicContact CB-CG1 3.98Å; K524-I528 PolarHBondContact O-N 2.74Å; K524-I528 VanDerWaalsContact O-N 3.11Å; P525-I528 PolarHBondContact O-N 3.37Å; I528-K530 PolarHBondContact O-N 2.85Å; I528-V531 PolarHBondContact O-N 3Å; I528-K532 HydrophobicContact CG2-CD 3.94Å; I528-K532 HydrophobicContact CG2-CG 4.21Å; I528-K532 WeakPolarHBondContact O-CB 3.4Å; I528-K532 VanDerWaalsContact O-CG 3.26Å; I528-K532 WeakPolarHBondContact O-CG 3.45Å; I528-K532 PolarHBondContact O-N 3.28Å; I528-R674 VanDerWaalsContact CD1-NH1 3.29Å
529	A	98.2	Very high	96.7	Very high	50 Å²	50	56.7 Å²	56.7	41%	0.413	30%	0.299	S	S	.	.	H	α-helix	trans	-59.8	-46.1	178	0	0	0	0	0	111.9	P525 A526 H527 V531 K532 M533	P525-A529 WeakPolarHBondContact O-CB 3.28Å; P525-A529 PolarHBondContact O-N 3.05Å; A526-A529 PolarHBondContact O-N 3.46Å; H527-A529 VanDerWaalsContact C-N 3.3Å; H527-A529 PolarHBondContact O-N 3.1Å; A529-V531 PolarHBondContact O-N 3.16Å; A529-K532 PolarHBondContact O-N 3.22Å; A529-M533 WeakPolarHBondContact O-CG 3.27Å; A529-M533 PolarHBondContact O-N 2.86Å
530	K	97.7	Very high	96.8	Very high	110 Å²	110	58.4 Å²	58.4	48%	0.478	31%	0.306	S	S	.	.	H	α-helix	trans	-57.8	-49.8	177.7	-173.4	-175.3	177.8	-169.4	0	111.7	A526 H527 I528 M533 K534	A526-K530 PolarHBondContact O-N 3.03Å; H527-K530 PolarHBondContact O-N 3.38Å; I528-K530 PolarHBondContact O-N 2.85Å; K530-M533 PolarHBondContact O-N 2.92Å; K530-K534 PolarHBondContact O-N 3.34Å
531	V	98.3	Very high	97	Very high	2 Å²	2	58 Å²	58	1%	0.012	30%	0.302	C	S	.	.	H	α-helix	trans	-65.9	-43.4	179.4	171.9	0	0	0	0	111.2	L487 F519 H527 I528 A529 M533 K534 F535 Q675	L487-V531 HydrophobicContact CD2-CB 4.3Å; L487-V531 HydrophobicContact CD2-CG1 3.85Å; L487-V531 HydrophobicContact CD2-CG2 4.25Å; F519-V531 HydrophobicContact CE1-CB 4.36Å; F519-V531 HydrophobicContact CE1-CG1 4.39Å; F519-V531 HydrophobicContact CE1-CG2 4.3Å; F519-V531 HydrophobicContact CE2-CG1 4.45Å; F519-V531 HydrophobicContact CZ-CB 3.69Å; F519-V531 HydrophobicContact CZ-CG1 3.61Å; F519-V531 HydrophobicContact CZ-CG2 4.12Å; H527-V531 PolarHBondContact O-N 3.39Å; I528-V531 PolarHBondContact O-N 3Å; A529-V531 PolarHBondContact O-N 3.16Å; V531-M533 VanDerWaalsContact C-N 3.27Å; V531-M533 PolarHBondContact O-N 2.64Å; V531-K534 WeakPolarHBondContact O-CB 3.31Å; V531-K534 PolarHBondContact O-N 3.05Å; V531-K534 VanDerWaalsContact O-N 3.07Å; V531-F535 HydrophobicContact CG1-CD2 3.7Å; V531-F535 HydrophobicContact CG1-CE2 3.77Å; V531-F535 WeakPolarHBondContact O-CD2 3.31Å; V531-F535 PolarHBondContact O-N 3.33Å; V531-Q675 HydrophobicContact CG1-CG 3.9Å
532	K	98.5	Very high	97.3	Very high	78 Å²	78	53.7 Å²	53.7	34%	0.339	29%	0.286	S	S	.	.	H	α-helix	trans	-57.6	-39.6	175.3	-77.3	-174.9	72.8	-178.3	0	112.3	I528 A529 F535 R536 R674 S678	I528-K532 HydrophobicContact CG2-CD 3.94Å; I528-K532 HydrophobicContact CG2-CG 4.21Å; I528-K532 WeakPolarHBondContact O-CB 3.4Å; I528-K532 VanDerWaalsContact O-CG 3.26Å; I528-K532 WeakPolarHBondContact O-CG 3.45Å; I528-K532 PolarHBondContact O-N 3.28Å; A529-K532 PolarHBondContact O-N 3.22Å; K532-F535 PolarHBondContact O-N 3.43Å; K532-R536 WeakPolarHBondContact O-CB 3.47Å; K532-R536 PolarHBondContact O-N 3.5Å; K532-R674 HydrophobicContact CD-CB 4.27Å; K532-R674 HydrophobicContact CG-CB 4.5Å; K532-S678 WeakPolarHBondContact O-CB 3.48Å; K532-S678 PolarHBondContact O-OG 3.45Å
533	M	98.3	Very high	97.6	Very high	130 Å²	130	47.9 Å²	47.9	64%	0.64	25%	0.25	S	S	*	.	H	α-helix	trans	-62.5	-42.7	175.4	-73.4	-178.8	72.6	0	0	111.4	A529 K530 V531 R536 F537	A529-M533 WeakPolarHBondContact O-CG 3.27Å; A529-M533 PolarHBondContact O-N 2.86Å; K530-M533 PolarHBondContact O-N 2.92Å; V531-M533 VanDerWaalsContact C-N 3.27Å; V531-M533 PolarHBondContact O-N 2.64Å; M533-R536 PolarHBondContact O-N 3.45Å; M533-F537 WeakPolarHBondContact O-CB 3.15Å; M533-F537 PolarHBondContact O-N 2.95Å
534	K	98.5	Very high	97.7	Very high	21 Å²	21	46.8 Å²	46.8	9%	0.091	24%	0.241	C	C	.	.	H	α-helix	trans	-63.3	-43.6	175.7	-64.8	-69.1	175.3	-166.9	0	112.6	E441 L487 K530 V531 F537 L538	E441-K534 VanDerWaalsContact OE1-CD 3.24Å; E441-K534 WeakPolarHBondContact OE1-CD 3.34Å; E441-K534 VanDerWaalsContact OE1-CE 3.26Å; E441-K534 WeakPolarHBondContact OE1-CE 3.49Å; E441-K534 IonicContact OE1-NZ 2.72Å; E441-K534 PolarHBondContact OE1-NZ 3.39Å; E441-K534 IonicContact OE2-NZ 2.61Å; E441-K534 PolarHBondContact OE2-NZ 3.45Å; L487-K534 HydrophobicContact CD1-CB 4Å; L487-K534 HydrophobicContact CD2-CB 3.68Å; L487-K534 HydrophobicContact CD2-CG 4.13Å; K530-K534 PolarHBondContact O-N 3.34Å; V531-K534 WeakPolarHBondContact O-CB 3.31Å; V531-K534 PolarHBondContact O-N 3.05Å; V531-K534 VanDerWaalsContact O-N 3.07Å; K534-F537 WeakPolarHBondContact O-CB 3.43Å; K534-F537 PolarHBondContact O-N 3.25Å; K534-L538 WeakPolarHBondContact O-CB 3.35Å; K534-L538 PolarHBondContact O-N 3.31Å
535	F	98.8	Very high	97.6	Very high	1 Å²	1	39.1 Å²	39.1	0%	0.004	21%	0.208	C	C	.	.	H	α-helix	trans	-65.1	-38.4	174.9	-88.1	-92.6	0	0	0	112.4	L487 W488 A516 V531 K532 L538 G539 F560 Q675 F679	L487-F535 HydrophobicContact CB-CE2 4.18Å; L487-F535 HydrophobicContact CD2-CD2 4.29Å; L487-F535 HydrophobicContact CD2-CE2 4.1Å; W488-F535 HydrophobicContact CE3-CZ 4.31Å; W488-F535 HydrophobicContact CH2-CE1 4.01Å; W488-F535 HydrophobicContact CH2-CZ 4.02Å; W488-F535 AromaticContact CZ3-CE1 3.91Å; W488-F535 HydrophobicContact CZ3-CE1 3.91Å; W488-F535 AromaticContact CZ3-CZ 3.74Å; W488-F535 HydrophobicContact CZ3-CZ 3.74Å; A516-F535 HydrophobicContact CB-CE1 4.14Å; A516-F535 HydrophobicContact CB-CZ 3.64Å; V531-F535 HydrophobicContact CG1-CD2 3.7Å; V531-F535 HydrophobicContact CG1-CE2 3.77Å; V531-F535 WeakPolarHBondContact O-CD2 3.31Å; V531-F535 PolarHBondContact O-N 3.33Å; K532-F535 PolarHBondContact O-N 3.43Å; F535-L538 WeakPolarHBondContact O-CB 3.3Å; F535-L538 PolarHBondContact O-N 2.88Å; F535-G539 PolarHBondContact O-N 2.99Å; F535-F560 HydrophobicContact CE1-CE2 4.18Å; F535-Q675 WeakPolarHBondContact CB-O 3.39Å; F535-Q675 HydrophobicContact CD1-CB 3.97Å; F535-Q675 HydrophobicContact CD2-CB 3.75Å; F535-Q675 HydrophobicContact CD2-CG 4Å; F535-Q675 HydrophobicContact CE1-CB 4.02Å; F535-Q675 HydrophobicContact CE2-CB 3.82Å; F535-Q675 HydrophobicContact CE2-CG 3.84Å; F535-Q675 HydrophobicContact CG-CB 3.84Å; F535-Q675 HydrophobicContact CZ-CB 3.96Å; F535-Q675 HydrophobicContact CZ-CG 4.29Å; F535-F679 HydrophobicContact CB-CB 4.16Å; F535-F679 HydrophobicContact CD1-CB 4.08Å; F535-F679 VanDerWaalsContact O-CA 3.29Å; F535-F679 WeakPolarHBondContact O-CA 3.44Å
536	R	98.6	Very high	97.5	Very high	98 Å²	98	34.2 Å²	34.2	37%	0.37	18%	0.176	S	C	.	.	H	α-helix	trans	-62.9	-42.8	173.4	-176.4	176.3	-67.7	-111.8	-9	111.9	K532 M533 G539 K540 S678 D681 G682	K532-R536 WeakPolarHBondContact O-CB 3.47Å; K532-R536 PolarHBondContact O-N 3.5Å; M533-R536 PolarHBondContact O-N 3.45Å; R536-G539 PolarHBondContact O-N 2.89Å; R536-K540 PolarHBondContact O-N 3.24Å; R536-K540 VanDerWaalsContact O-N 3.09Å; R536-S678 VanDerWaalsContact CA-O 3.23Å; R536-S678 WeakPolarHBondContact CA-O 3.34Å; R536-S678 WeakPolarHBondContact CB-O 3.35Å; R536-D681 IonicContact CZ-OD2 3.71Å; R536-D681 IonicContact NH2-OD2 4Å; R536-D681 PolarHBondContact NH2-OD2 3.19Å; R536-G682 WeakPolarHBondContact O-CA 3.36Å
537	F	98.6	Very high	97.2	Very high	10 Å²	10	31.4 Å²	31.4	4%	0.044	15%	0.149	C	C	.	.	H	α-helix	trans	-60	-48	173.2	164.2	-111.1	0	0	0	111.4	L437 A440 E441 M444 V476 L480 M533 K534 G539 K540 L541	L437-F537 HydrophobicContact CD1-CE1 3.84Å; A440-F537 VanDerWaalsContact C-CE2 3.48Å; A440-F537 HydrophobicContact CB-CE2 4.21Å; A440-F537 HydrophobicContact CB-CZ 3.74Å; A440-F537 WeakPolarHBondContact O-CE2 3.48Å; E441-F537 HydrophobicContact CB-CD2 4.25Å; E441-F537 HydrophobicContact CB-CE2 4.45Å; E441-F537 HydrophobicContact CG-CB 4.23Å; E441-F537 HydrophobicContact CG-CD1 3.95Å; E441-F537 HydrophobicContact CG-CD2 3.75Å; E441-F537 HydrophobicContact CG-CE1 4.24Å; E441-F537 HydrophobicContact CG-CE2 4.05Å; E441-F537 HydrophobicContact CG-CG 3.68Å; E441-F537 HydrophobicContact CG-CZ 4.28Å; M444-F537 HydrophobicContact CB-CD2 3.89Å; M444-F537 HydrophobicContact CB-CE2 3.79Å; M444-F537 HydrophobicContact CG-CD2 4.06Å; M444-F537 HydrophobicContact CG-CE2 3.5Å; V476-F537 HydrophobicContact CG1-CE1 4.03Å; V476-F537 HydrophobicContact CG1-CZ 3.83Å; L480-F537 HydrophobicContact CD1-CE1 4.11Å; L480-F537 HydrophobicContact CD2-CD1 4.04Å; L480-F537 HydrophobicContact CD2-CE1 4Å; L480-F537 HydrophobicContact CG-CE1 4.31Å; M533-F537 WeakPolarHBondContact O-CB 3.15Å; M533-F537 PolarHBondContact O-N 2.95Å; K534-F537 WeakPolarHBondContact O-CB 3.43Å; K534-F537 PolarHBondContact O-N 3.25Å; F537-G539 VanDerWaalsContact C-N 3.28Å; F537-G539 PolarHBondContact O-N 3.07Å; F537-K540 WeakPolarHBondContact O-CB 3.23Å; F537-K540 PolarHBondContact O-N 2.84Å; F537-K540 VanDerWaalsContact O-N 3.11Å; F537-L541 HydrophobicContact CE1-CD2 4.48Å; F537-L541 HydrophobicContact CZ-CD1 4.45Å; F537-L541 HydrophobicContact CZ-CD2 4.36Å; F537-L541 WeakPolarHBondContact O-CB 3.38Å; F537-L541 PolarHBondContact O-N 3.32Å
538	L	98.6	Very high	97	Very high	2 Å²	2	28.2 Å²	28.2	1%	0.01	14%	0.135	C	C	.	.	H	α-helix	trans	-55.5	-43.4	175.5	173.4	62.4	0	0	0	111.8	L480 W488 K534 F535 K540 L541 M542 L554 F560 F679	L480-L538 HydrophobicContact CD1-CD1 4.02Å; W488-L538 HydrophobicContact CH2-CD2 3.64Å; W488-L538 HydrophobicContact CZ2-CD2 4.03Å; K534-L538 WeakPolarHBondContact O-CB 3.35Å; K534-L538 PolarHBondContact O-N 3.31Å; F535-L538 WeakPolarHBondContact O-CB 3.3Å; F535-L538 PolarHBondContact O-N 2.88Å; L538-K540 PolarHBondContact O-N 3.18Å; L538-L541 PolarHBondContact O-N 3.48Å; L538-M542 HydrophobicContact CD1-CG 3.88Å; L538-M542 HydrophobicContact CD1-SD 3.7Å; L538-M542 HydrophobicContact CG-CG 4.5Å; L538-M542 HydrophobicContact CG-SD 3.99Å; L538-M542 WeakPolarHBondContact O-CG 3.38Å; L538-M542 PolarHBondContact O-N 3.33Å; L538-L554 HydrophobicContact CD1-CD1 3.34Å; L538-F560 HydrophobicContact CD2-CE2 4.3Å; L538-F560 HydrophobicContact CD2-CZ 4.05Å; L538-F679 HydrophobicContact CB-CD2 4.3Å; L538-F679 HydrophobicContact CD2-CD2 4.14Å; L538-F679 HydrophobicContact CD2-CE2 4.31Å; L538-F679 HydrophobicContact CG-CD2 3.93Å; L538-F679 HydrophobicContact CG-CE2 3.91Å
539	G	98.2	Very high	96.6	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-57.8	-48.2	175	0	0	0	0	0	112.6	F535 R536 F537 A543 F679 F683	F535-G539 PolarHBondContact O-N 2.99Å; R536-G539 PolarHBondContact O-N 2.89Å; F537-G539 VanDerWaalsContact C-N 3.28Å; F537-G539 PolarHBondContact O-N 3.07Å; G539-A543 WeakPolarHBondContact O-CB 3.4Å; G539-A543 PolarHBondContact O-N 3.24Å; G539-F679 VanDerWaalsContact CA-CD2 3.45Å; G539-F679 VanDerWaalsContact CA-CE2 3.48Å; G539-F679 WeakPolarHBondContact CA-O 3.28Å; G539-F683 WeakPolarHBondContact O-CA 3.38Å; G539-F683 WeakPolarHBondContact O-CD2 3.22Å
540	K	98.1	Very high	96.3	Very high	48 Å²	48	28.9 Å²	28.9	21%	0.209	13%	0.127	C	C	.	.	H	α-helix	trans	-62.2	-44.4	175.9	-71.4	-175.7	171.4	-167.8	0	112.3	M444 R536 F537 L538 A543 K544 G682 S685 V686	M444-K540 HydrophobicContact CB-CB 4.3Å; R536-K540 PolarHBondContact O-N 3.24Å; R536-K540 VanDerWaalsContact O-N 3.09Å; F537-K540 WeakPolarHBondContact O-CB 3.23Å; F537-K540 PolarHBondContact O-N 2.84Å; F537-K540 VanDerWaalsContact O-N 3.11Å; L538-K540 PolarHBondContact O-N 3.18Å; K540-A543 PolarHBondContact O-N 2.89Å; K540-K544 WeakPolarHBondContact O-CB 3.47Å; K540-K544 PolarHBondContact O-N 2.83Å; K540-G682 VanDerWaalsContact CG-O 3.25Å; K540-G682 WeakPolarHBondContact CG-O 3.45Å; K540-S685 WeakPolarHBondContact CE-OG 3.28Å; K540-V686 HydrophobicContact CB-CG2 4.22Å; K540-V686 HydrophobicContact CG-CG2 4.07Å
541	L	98.1	Very high	96	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-59.4	-49.2	179.8	-178.6	72.8	0	0	0	111	M444 Y473 V476 L480 F537 L538 K544 A545 V552	M444-L541 HydrophobicContact CE-CD1 3.72Å; M444-L541 HydrophobicContact CG-CD1 4.23Å; M444-L541 HydrophobicContact SD-CD1 4.24Å; Y473-L541 HydrophobicContact CD1-CD1 3.79Å; Y473-L541 HydrophobicContact CD1-CG 4.32Å; Y473-L541 HydrophobicContact CE1-CD1 3.56Å; Y473-L541 HydrophobicContact CE1-CG 4.22Å; V476-L541 HydrophobicContact CG1-CD1 4.41Å; V476-L541 HydrophobicContact CG1-CD2 3.74Å; L480-L541 HydrophobicContact CD1-CD2 3.79Å; F537-L541 HydrophobicContact CE1-CD2 4.48Å; F537-L541 HydrophobicContact CZ-CD1 4.45Å; F537-L541 HydrophobicContact CZ-CD2 4.36Å; F537-L541 WeakPolarHBondContact O-CB 3.38Å; F537-L541 PolarHBondContact O-N 3.32Å; L538-L541 PolarHBondContact O-N 3.48Å; L541-K544 PolarHBondContact O-N 3.22Å; L541-A545 WeakPolarHBondContact O-CB 3.48Å; L541-A545 PolarHBondContact O-N 2.65Å; L541-V552 HydrophobicContact CD2-CG1 4.45Å
542	M	97.6	Very high	95.8	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.005	11%	0.111	C	C	.	.	H	α-helix	trans	-67	-41.8	-179.7	-69.2	179	74.3	0	0	112.3	L538 K544 A545 I546 V552 L556 F679 F683 L704	L538-M542 HydrophobicContact CD1-CG 3.88Å; L538-M542 HydrophobicContact CD1-SD 3.7Å; L538-M542 HydrophobicContact CG-CG 4.5Å; L538-M542 HydrophobicContact CG-SD 3.99Å; L538-M542 WeakPolarHBondContact O-CG 3.38Å; L538-M542 PolarHBondContact O-N 3.33Å; M542-K544 VanDerWaalsContact C-N 3.33Å; M542-K544 PolarHBondContact O-N 3.31Å; M542-A545 PolarHBondContact O-N 2.96Å; M542-I546 PolarHBondContact O-N 3.1Å; M542-V552 HydrophobicContact CG-CG1 4.32Å; M542-V552 HydrophobicContact CG-CG2 4.28Å; M542-L556 HydrophobicContact CE-CD1 3.72Å; M542-L556 HydrophobicContact SD-CD1 4.21Å; M542-F679 HydrophobicContact SD-CE2 3.56Å; M542-F679 VanDerWaalsContact SD-CE2 3.56Å; M542-F679 HydrophobicContact SD-CZ 3.86Å; M542-F683 HydrophobicContact CB-CD2 4.21Å; M542-F683 HydrophobicContact CB-CE2 4.17Å; M542-L704 HydrophobicContact CB-CD2 4.28Å; M542-L704 HydrophobicContact CE-CB 4.41Å; M542-L704 HydrophobicContact CE-CD1 3.42Å; M542-L704 VanDerWaalsContact CE-CD1 3.42Å; M542-L704 HydrophobicContact CE-CD2 3.71Å; M542-L704 HydrophobicContact CE-CG 4.06Å
543	A	96.6	Very high	95.4	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-62.2	-42.6	174.6	0	0	0	0	0	111.6	G539 K540 I546 M547 F683 V686 F687	G539-A543 WeakPolarHBondContact O-CB 3.4Å; G539-A543 PolarHBondContact O-N 3.24Å; K540-A543 PolarHBondContact O-N 2.89Å; A543-I546 PolarHBondContact O-N 2.66Å; A543-M547 WeakPolarHBondContact O-CG 3.41Å; A543-M547 PolarHBondContact O-N 2.96Å; A543-F683 HydrophobicContact CB-CB 4.48Å; A543-F683 HydrophobicContact CB-CD1 4.09Å; A543-F683 HydrophobicContact CB-CD2 3.7Å; A543-F683 HydrophobicContact CB-CE1 4.25Å; A543-F683 HydrophobicContact CB-CE2 3.81Å; A543-F683 HydrophobicContact CB-CG 3.85Å; A543-F683 HydrophobicContact CB-CZ 4.1Å; A543-V686 HydrophobicContact CB-CB 3.61Å; A543-V686 HydrophobicContact CB-CG1 3.68Å; A543-F687 HydrophobicContact CB-CB 3.8Å
544	K	95.6	Very high	95.1	Very high	1 Å²	1	16 Å²	16	0%	0.004	7%	0.069	C	C	.	.	H	α-helix	trans	-67.4	-37.4	177.5	-175	51.8	174	156.3	0	112.1	M444 S450 A452 K540 L541 M542 M547 D548 V686	M444-K544 HydrophobicContact CE-CG 4.19Å; M444-K544 HydrophobicContact SD-CB 3.85Å; M444-K544 HydrophobicContact SD-CG 3.89Å; S450-K544 PolarHBondContact O-NZ 3.29Å; S450-K544 VanDerWaalsContact O-NZ 3.14Å; A452-K544 PolarHBondContact O-NZ 3.4Å; K540-K544 WeakPolarHBondContact O-CB 3.47Å; K540-K544 PolarHBondContact O-N 2.83Å; L541-K544 PolarHBondContact O-N 3.22Å; M542-K544 VanDerWaalsContact C-N 3.33Å; M542-K544 PolarHBondContact O-N 3.31Å; K544-M547 HydrophobicContact CD-CB 4.48Å; K544-M547 WeakPolarHBondContact O-CB 3.05Å; K544-M547 PolarHBondContact O-N 3.49Å; K544-D548 WeakPolarHBondContact CE-OD2 3.26Å; K544-D548 IonicContact NZ-OD1 3.76Å; K544-D548 PolarHBondContact NZ-OD1 3.15Å; K544-D548 IonicContact NZ-OD2 2.94Å; K544-D548 PolarHBondContact NZ-OD2 3.33Å; K544-D548 WeakPolarHBondContact O-CB 3.41Å; K544-D548 PolarHBondContact O-N 2.78Å; K544-V686 HydrophobicContact CB-CG1 4.41Å
545	A	95.1	Very high	94.7	Very high	1 Å²	1	17.2 Å²	17.2	1%	0.008	8%	0.079	C	C	.	.	H	α-helix	trans	-62.2	-45.3	174.5	0	0	0	0	0	111.8	Y473 L541 M542 M547 D548 F549 R550 V552	Y473-A545 HydrophobicContact CD1-CB 4.16Å; Y473-A545 HydrophobicContact CE1-CB 3.72Å; L541-A545 WeakPolarHBondContact O-CB 3.48Å; L541-A545 PolarHBondContact O-N 2.65Å; M542-A545 PolarHBondContact O-N 2.96Å; A545-M547 VanDerWaalsContact C-N 3.34Å; A545-M547 PolarHBondContact O-N 3.38Å; A545-D548 CarbonylContact O-C 3.35Å; A545-D548 PolarHBondContact O-N 2.86Å; A545-F549 PolarHBondContact O-N 2.86Å; A545-R550 CarbonylContact C-O 3.21Å; A545-R550 HydrophobicContact CB-CB 4.2Å; A545-R550 PolarHBondContact O-N 2.82Å; A545-V552 HydrophobicContact CB-CG2 3.37Å
546	I	93.8	Very high	94.5	Very high	6 Å²	6	17.6 Å²	17.6	3%	0.031	8%	0.081	C	C	.	.	H	α-helix	trans	-57.3	-47.9	172.5	-74.1	166.7	0	0	0	110.8	F389 F394 M542 A543 D548 F549 F683 F687 L692 L704	F389-I546 HydrophobicContact CE1-CG2 4.14Å; F389-I546 HydrophobicContact CZ-CG2 3.87Å; F394-I546 HydrophobicContact CE1-CG2 4.07Å; F394-I546 HydrophobicContact CZ-CG2 3.62Å; M542-I546 PolarHBondContact O-N 3.1Å; A543-I546 PolarHBondContact O-N 2.66Å; I546-D548 VanDerWaalsContact C-N 3.29Å; I546-D548 PolarHBondContact O-N 3.21Å; I546-F549 PolarHBondContact O-N 2.65Å; I546-F683 HydrophobicContact CD1-CE2 3.93Å; I546-F683 HydrophobicContact CD1-CZ 3.69Å; I546-F687 HydrophobicContact CG2-CE1 4.37Å; I546-F687 HydrophobicContact CG2-CZ 4.34Å; I546-L692 HydrophobicContact CD1-CD2 4.27Å; I546-L704 HydrophobicContact CD1-CD2 3.46Å; I546-L704 VanDerWaalsContact CD1-CD2 3.46Å; I546-L704 HydrophobicContact CD1-CG 4.35Å; I546-L704 HydrophobicContact CG1-CD2 3.67Å
547	M	90.6	Very high	94.2	Very high	19 Å²	19	13 Å²	13	9%	0.094	6%	0.064	C	C	.	.	H	α-helix	trans	-54.8	-46.9	177	-76.3	-168.9	66.8	0	0	111.8	R398 R451 A543 K544 A545 F549 V686 F687	R398-M547 PolarHBondContact NH1-O 3.27Å; R451-M547 HydrophobicContact CG-CE 4.49Å; A543-M547 WeakPolarHBondContact O-CG 3.41Å; A543-M547 PolarHBondContact O-N 2.96Å; K544-M547 HydrophobicContact CD-CB 4.48Å; K544-M547 WeakPolarHBondContact O-CB 3.05Å; K544-M547 PolarHBondContact O-N 3.49Å; A545-M547 VanDerWaalsContact C-N 3.34Å; A545-M547 PolarHBondContact O-N 3.38Å; M547-F549 VanDerWaalsContact C-N 3.33Å; M547-F549 PolarHBondContact O-N 3.23Å; M547-V686 HydrophobicContact SD-CG1 3.64Å; M547-F687 HydrophobicContact CG-CD2 4.03Å
548	D	91.2	Very high	93.9	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	8.5	-173.4	-69.6	-5.4	0	0	0	114.2	R398 M453 L454 K544 A545 I546 R550	R398-D548 IonicContact CZ-OD1 3.7Å; R398-D548 IonicContact NH1-OD1 3.65Å; R398-D548 IonicContact NH2-OD1 2.74Å; R398-D548 PolarHBondContact NH2-OD1 2.95Å; M453-D548 HydrophobicContact CE-CB 3.77Å; M453-D548 WeakPolarHBondContact CE-O 3.48Å; M453-D548 HydrophobicContact SD-CB 3.82Å; L454-D548 WeakPolarHBondContact CB-OD2 3.45Å; L454-D548 PolarHBondContact N-OD2 2.84Å; K544-D548 WeakPolarHBondContact CE-OD2 3.26Å; K544-D548 IonicContact NZ-OD1 3.76Å; K544-D548 PolarHBondContact NZ-OD1 3.15Å; K544-D548 IonicContact NZ-OD2 2.94Å; K544-D548 PolarHBondContact NZ-OD2 3.33Å; K544-D548 WeakPolarHBondContact O-CB 3.41Å; K544-D548 PolarHBondContact O-N 2.78Å; A545-D548 CarbonylContact O-C 3.35Å; A545-D548 PolarHBondContact O-N 2.86Å; I546-D548 VanDerWaalsContact C-N 3.29Å; I546-D548 PolarHBondContact O-N 3.21Å; D548-R550 VanDerWaalsContact C-N 3.29Å; D548-R550 HydrophobicContact CB-CG 3.88Å; D548-R550 VanDerWaalsContact O-CZ 3.3Å; D548-R550 PolarHBondContact O-N 2.87Å; D548-R550 PolarHBondContact O-NH1 3.47Å
549	F	90.3	Very high	93.8	Very high	35 Å²	35	14.9 Å²	14.9	15%	0.154	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	52	49.4	-174.2	-45.9	-41.4	0	0	0	111.5	Y390 F394 R398 Q401 R402 A545 I546 M547	Y390-F549 HydrophobicContact CD1-CD1 4.12Å; Y390-F549 AromaticContact CD1-CE1 3.42Å; Y390-F549 HydrophobicContact CD1-CE1 3.42Å; Y390-F549 VanDerWaalsContact CD1-CE1 3.42Å; Y390-F549 HydrophobicContact CD1-CZ 4.23Å; Y390-F549 AromaticContact CE1-CD1 3.46Å; Y390-F549 HydrophobicContact CE1-CD1 3.46Å; Y390-F549 VanDerWaalsContact CE1-CD1 3.46Å; Y390-F549 AromaticContact CE1-CE1 3.24Å; Y390-F549 HydrophobicContact CE1-CE1 3.24Å; Y390-F549 HydrophobicContact CE1-CZ 4.38Å; Y390-F549 HydrophobicContact CG-CE1 4.45Å; Y390-F549 AromaticContact CZ-CD1 3.99Å; F394-F549 HydrophobicContact CD1-CE1 4.39Å; F394-F549 HydrophobicContact CE1-CE1 4.18Å; R398-F549 HydrophobicContact CB-CZ 3.93Å; R398-F549 HydrophobicContact CG-CZ 4.45Å; R398-F549 WeakPolarHBondContact O-CZ 3.41Å; Q401-F549 HydrophobicContact CB-CE2 4.4Å; Q401-F549 HydrophobicContact CG-CE2 4.31Å; R402-F549 HydrophobicContact CB-CZ 4.39Å; A545-F549 PolarHBondContact O-N 2.86Å; I546-F549 PolarHBondContact O-N 2.65Å; M547-F549 VanDerWaalsContact C-N 3.33Å; M547-F549 PolarHBondContact O-N 3.23Å
550	R	91.9	Very high	93.8	Very high	44 Å²	44	14.9 Å²	14.9	17%	0.166	7%	0.074	C	C	.	.			trans	-117.2	152.3	177.2	-57.3	-64	174.9	-105.2	-0	109.5	Y473 A545 D548	Y473-R550 HydrophobicContact CD2-CB 3.9Å; Y473-R550 HydrophobicContact CD2-CG 4.04Å; Y473-R550 HydrophobicContact CE2-CB 3.85Å; Y473-R550 HydrophobicContact CE2-CG 3.7Å; Y473-R550 HydrophobicContact CG-CB 4.35Å; A545-R550 CarbonylContact C-O 3.21Å; A545-R550 HydrophobicContact CB-CB 4.2Å; A545-R550 PolarHBondContact O-N 2.82Å; D548-R550 VanDerWaalsContact C-N 3.29Å; D548-R550 HydrophobicContact CB-CG 3.88Å; D548-R550 VanDerWaalsContact O-CZ 3.3Å; D548-R550 PolarHBondContact O-N 2.87Å; D548-R550 PolarHBondContact O-NH1 3.47Å
551	L	91.7	Very high	93.7	Very high	31 Å²	31	12.8 Å²	12.8	16%	0.162	7%	0.065	C	C	.	.			trans	-96.7	146.3	177.7	-56.2	178	0	0	0	109.9	Y473 L704 R761	Y473-L551 WeakPolarHBondContact CB-O 3.37Å; L551-L704 CarbonylContact C-O 3.57Å; L551-L704 VanDerWaalsContact CA-O 3.31Å; L551-L704 WeakPolarHBondContact CA-O 3.41Å; L551-R761 HydrophobicContact CD1-CB 4.41Å
552	V	93.1	Very high	93.6	Very high	1 Å²	1	14 Å²	14	1%	0.006	7%	0.07	C	C	.	.			trans	-113.3	108.4	171.6	-176.6	0	0	0	0	106.8	Y473 S477 L541 M542 A545 L554 L704 C705	Y473-V552 HydrophobicContact CD1-CG2 4.28Å; S477-V552 VanDerWaalsContact OG-CG1 3.31Å; S477-V552 WeakPolarHBondContact OG-CG1 3.33Å; L541-V552 HydrophobicContact CD2-CG1 4.45Å; M542-V552 HydrophobicContact CG-CG1 4.32Å; M542-V552 HydrophobicContact CG-CG2 4.28Å; A545-V552 HydrophobicContact CB-CG2 3.37Å; V552-L554 HydrophobicContact CG1-CB 4.4Å; V552-L554 HydrophobicContact CG1-CD1 3.68Å; V552-L554 HydrophobicContact CG1-CG 3.91Å; V552-L554 PolarHBondContact O-N 3.19Å; V552-L704 PolarHBondContact N-O 3.16Å; V552-C705 PolarHBondContact O-SG 2.94Å
553	D	89.9	Confident	93.6	Very high	18 Å²	18	14.3 Å²	14.3	10%	0.096	7%	0.071	C	C	.	.			trans	-81.2	66.4	-175.8	-176.9	47.2	0	0	0	111.3	S477 R750 P760 R761	S477-D553 WeakPolarHBondContact CB-O 3.38Å; S477-D553 PolarHBondContact OG-N 3.42Å; D553-R750 IonicContact OD1-CZ 3.89Å; D553-R750 IonicContact OD1-NH1 3.84Å; D553-R750 PolarHBondContact OD1-NH1 3.29Å; D553-R750 IonicContact OD1-NH2 2.86Å; D553-R750 PolarHBondContact OD1-NH2 3.39Å; D553-R750 IonicContact OD2-CZ 2.81Å; D553-R750 IonicContact OD2-NH1 3.1Å; D553-R750 IonicContact OD2-NH2 3.86Å; D553-R750 PolarHBondContact OD2-NH2 2.87Å; D553-P760 HydrophobicContact CB-CG 3.68Å; D553-P760 VanDerWaalsContact CG-CG 3.42Å; D553-P760 WeakPolarHBondContact OD2-CG 3.21Å; D553-R761 WeakPolarHBondContact OD1-CD 3.24Å; D553-R761 IonicContact OD1-CZ 3.13Å; D553-R761 IonicContact OD1-NE 3.42Å; D553-R761 PolarHBondContact OD1-NE 3.47Å; D553-R761 IonicContact OD1-NH2 3.47Å; D553-R761 PolarHBondContact OD1-NH2 3.49Å
554	L	91.6	Very high	93.5	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.071	C	C	.	.			trans	-111.3	119.7	172.9	-75.4	171	0	0	0	109.2	S477 L480 Q481 L514 L538 V552 L556 C705	S477-L554 WeakPolarHBondContact O-CD2 3.04Å; L480-L554 HydrophobicContact CB-CD2 4.32Å; L480-L554 HydrophobicContact CD1-CD1 4.29Å; Q481-L554 HydrophobicContact CG-CD2 3.86Å; L514-L554 HydrophobicContact CD1-CD2 4.24Å; L538-L554 HydrophobicContact CD1-CD1 3.34Å; V552-L554 HydrophobicContact CG1-CB 4.4Å; V552-L554 HydrophobicContact CG1-CD1 3.68Å; V552-L554 HydrophobicContact CG1-CG 3.91Å; V552-L554 PolarHBondContact O-N 3.19Å; L554-L556 HydrophobicContact CB-CD1 4.44Å; L554-L556 HydrophobicContact CB-CD2 4.19Å; L554-L556 HydrophobicContact CB-CG 3.97Å; L554-L556 PolarHBondContact O-N 2.87Å; L554-C705 PolarHBondContact O-SG 3.48Å; L554-C705 VanDerWaalsContact O-SG 3.39Å
555	P	90.9	Very high	93.5	Very high	46 Å²	46	15.7 Å²	15.7	30%	0.299	8%	0.079	S	C	.	.			trans	-77.1	72.2	177.9	32	-34.3	0	0	0	110.1	G513 L514	G513-P555 CarbonylContact C-O 3.54Å; G513-P555 WeakPolarHBondContact CA-O 3.43Å; L514-P555 HydrophobicContact CD1-CG 4.03Å; L514-P555 HydrophobicContact CG-CG 4.19Å; L514-P555 PolarHBondContact N-O 3.34Å
556	L	94.3	Very high	93.5	Very high	9 Å²	9	22.2 Å²	22.2	5%	0.047	10%	0.103	C	C	.	.	B	Isolated β-bridge	trans	-76.3	140.6	-177.6	-58.4	168.5	0	0	0	111.3	W488 L514 M542 L554 F560 Y561	W488-L556 HydrophobicContact CH2-CD2 4.16Å; W488-L556 HydrophobicContact CZ3-CD2 4.41Å; L514-L556 HydrophobicContact CB-CD2 4.32Å; M542-L556 HydrophobicContact CE-CD1 3.72Å; M542-L556 HydrophobicContact SD-CD1 4.21Å; L554-L556 HydrophobicContact CB-CD1 4.44Å; L554-L556 HydrophobicContact CB-CD2 4.19Å; L554-L556 HydrophobicContact CB-CG 3.97Å; L554-L556 PolarHBondContact O-N 2.87Å; L556-F560 HydrophobicContact CB-CB 4.26Å; L556-F560 HydrophobicContact CB-CD1 4.38Å; L556-F560 HydrophobicContact CB-CG 4.24Å; L556-F560 HydrophobicContact CD1-CD1 3.77Å; L556-F560 HydrophobicContact CD1-CE1 3.73Å; L556-F560 HydrophobicContact CD1-CG 4.28Å; L556-F560 HydrophobicContact CD1-CZ 4.2Å; L556-F560 HydrophobicContact CD2-CD1 4.43Å; L556-F560 HydrophobicContact CD2-CD2 3.92Å; L556-F560 HydrophobicContact CD2-CE2 4Å; L556-F560 HydrophobicContact CD2-CG 4.17Å; L556-F560 HydrophobicContact CD2-CZ 4.31Å; L556-F560 HydrophobicContact CG-CD1 4.42Å; L556-F560 HydrophobicContact CG-CG 4.46Å; L556-Y561 HydrophobicContact CB-CE1 4.37Å; L556-Y561 HydrophobicContact CB-CE2 4.03Å; L556-Y561 HydrophobicContact CD1-CE1 4.04Å
557	G	91.9	Very high	93.5	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.01	11%	0.114	C	C	.	.			trans	-74.4	155.2	175.8	0	0	0	0	0	112.8	L514 P559 F560	L514-G557 PolarHBondContact O-N 3Å; G557-P559 VanDerWaalsContact C-CD 3.44Å; G557-P559 VanDerWaalsContact C-N 3.33Å; G557-F560 WeakPolarHBondContact O-CB 3.29Å; G557-F560 PolarHBondContact O-N 3.41Å
558	L	93.4	Very high	93.8	Very high	52 Å²	52	25.2 Å²	25.2	27%	0.272	12%	0.117	S	C	.	.	H	α-helix	trans	-52.1	-40.4	-179.6	-178	63.6	0	0	0	114.2	F560 Y561 K562 P697 E698	L558-F560 PolarHBondContact O-N 3.02Å; L558-Y561 PolarHBondContact O-N 2.82Å; L558-K562 PolarHBondContact O-N 3.35Å; L558-K562 VanDerWaalsContact O-N 3.12Å; L558-P697 HydrophobicContact CD1-CB 3.8Å; L558-E698 HydrophobicContact CD1-CB 3.95Å
559	P	95.9	Very high	94	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-61.8	-26.5	177.2	-27.5	39.2	0	0	0	113.9	F515 G557 K562 W563 L571 D575 D578 I579	F515-P559 HydrophobicContact CD2-CB 4.03Å; F515-P559 HydrophobicContact CE2-CB 3.72Å; F515-P559 HydrophobicContact CZ-CB 4.39Å; G557-P559 VanDerWaalsContact C-CD 3.44Å; G557-P559 VanDerWaalsContact C-N 3.33Å; P559-K562 PolarHBondContact O-N 3.27Å; P559-W563 PolarHBondContact O-N 2.87Å; P559-L571 HydrophobicContact CB-CD2 4.35Å; P559-D575 HydrophobicContact CG-CB 4.11Å; P559-D575 WeakPolarHBondContact CG-O 3.41Å; P559-D578 HydrophobicContact CG-CB 4.06Å; P559-I579 HydrophobicContact CB-CD1 3.94Å; P559-I579 HydrophobicContact CB-CG1 4.46Å; P559-I579 HydrophobicContact CG-CD1 3.8Å; P559-I579 HydrophobicContact CG-CG1 3.99Å
560	F	97.5	Very high	94.1	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-63.1	-44.9	173.2	-172.3	-74.1	0	0	0	110.8	W488 F515 F535 L538 L556 G557 L558 W563 M564 F676 F679	W488-F560 HydrophobicContact CH2-CE2 4.08Å; W488-F560 HydrophobicContact CZ3-CD2 4.29Å; W488-F560 HydrophobicContact CZ3-CE2 4.05Å; F515-F560 HydrophobicContact CD2-CB 4.43Å; F535-F560 HydrophobicContact CE1-CE2 4.18Å; L538-F560 HydrophobicContact CD2-CE2 4.3Å; L538-F560 HydrophobicContact CD2-CZ 4.05Å; L556-F560 HydrophobicContact CB-CB 4.26Å; L556-F560 HydrophobicContact CB-CD1 4.38Å; L556-F560 HydrophobicContact CB-CG 4.24Å; L556-F560 HydrophobicContact CD1-CD1 3.77Å; L556-F560 HydrophobicContact CD1-CE1 3.73Å; L556-F560 HydrophobicContact CD1-CG 4.28Å; L556-F560 HydrophobicContact CD1-CZ 4.2Å; L556-F560 HydrophobicContact CD2-CD1 4.43Å; L556-F560 HydrophobicContact CD2-CD2 3.92Å; L556-F560 HydrophobicContact CD2-CE2 4Å; L556-F560 HydrophobicContact CD2-CG 4.17Å; L556-F560 HydrophobicContact CD2-CZ 4.31Å; L556-F560 HydrophobicContact CG-CD1 4.42Å; L556-F560 HydrophobicContact CG-CG 4.46Å; G557-F560 WeakPolarHBondContact O-CB 3.29Å; G557-F560 PolarHBondContact O-N 3.41Å; L558-F560 PolarHBondContact O-N 3.02Å; F560-W563 CarbonylContact O-C 3.48Å; F560-W563 WeakPolarHBondContact O-CB 3.44Å; F560-W563 PolarHBondContact O-N 3.22Å; F560-M564 PolarHBondContact O-N 3.03Å; F560-F676 HydrophobicContact CB-CE1 4.36Å; F560-F676 HydrophobicContact CB-CZ 4.46Å; F560-F676 HydrophobicContact CD1-CE1 4.35Å; F560-F676 AromaticContact CD2-CE1 3.39Å; F560-F676 HydrophobicContact CD2-CE1 3.39Å; F560-F676 AromaticContact CD2-CZ 3.72Å; F560-F676 HydrophobicContact CD2-CZ 3.72Å; F560-F676 HydrophobicContact CE2-CD1 4.47Å; F560-F676 AromaticContact CE2-CE1 3.62Å; F560-F676 HydrophobicContact CE2-CE1 3.62Å; F560-F676 HydrophobicContact CE2-CZ 4.25Å; F560-F676 AromaticContact CG-CE1 3.79Å; F560-F676 HydrophobicContact CG-CE1 3.79Å; F560-F676 HydrophobicContact CG-CZ 4.24Å; F560-F676 HydrophobicContact CZ-CE1 4.18Å; F560-F679 AromaticContact CE1-CE1 3.98Å; F560-F679 HydrophobicContact CE1-CE1 3.98Å; F560-F679 HydrophobicContact CE1-CE2 4.06Å; F560-F679 AromaticContact CE1-CZ 3.7Å; F560-F679 HydrophobicContact CE1-CZ 3.7Å; F560-F679 HydrophobicContact CZ-CD1 4.38Å; F560-F679 AromaticContact CZ-CD2 3.98Å; F560-F679 HydrophobicContact CZ-CD2 3.98Å; F560-F679 HydrophobicContact CZ-CE1 4.17Å; F560-F679 AromaticContact CZ-CE2 3.75Å; F560-F679 HydrophobicContact CZ-CE2 3.75Å; F560-F679 HydrophobicContact CZ-CG 4.3Å; F560-F679 AromaticContact CZ-CZ 3.86Å; F560-F679 HydrophobicContact CZ-CZ 3.86Å
561	Y	96.5	Very high	94.2	Very high	4 Å²	4	26 Å²	26	2%	0.016	13%	0.13	C	C	.	.	H	α-helix	trans	-68.8	-34.1	179	-63.1	-58.7	0	0	0	112.3	L556 L558 M564 L565 P697 L700 D701 L704	L556-Y561 HydrophobicContact CB-CE1 4.37Å; L556-Y561 HydrophobicContact CB-CE2 4.03Å; L556-Y561 HydrophobicContact CD1-CE1 4.04Å; L558-Y561 PolarHBondContact O-N 2.82Å; Y561-M564 HydrophobicContact CD1-SD 4.41Å; Y561-M564 WeakPolarHBondContact O-CB 3.43Å; Y561-M564 PolarHBondContact O-N 3.26Å; Y561-L565 PolarHBondContact O-N 3.01Å; Y561-P697 VanDerWaalsContact CB-O 3.32Å; Y561-P697 WeakPolarHBondContact CB-O 3.31Å; Y561-L700 HydrophobicContact CD1-CB 3.49Å; Y561-L700 VanDerWaalsContact CD1-CB 3.49Å; Y561-L700 HydrophobicContact CD1-CD1 4.02Å; Y561-L700 HydrophobicContact CD1-CG 4.42Å; Y561-L700 HydrophobicContact CE1-CB 3.92Å; Y561-L700 HydrophobicContact CG-CB 3.94Å; Y561-L700 HydrophobicContact CG-CD1 4.43Å; Y561-D701 HydrophobicContact CE2-CB 3.8Å; Y561-D701 WeakPolarHBondContact OH-CA 3.37Å; Y561-D701 WeakPolarHBondContact OH-CB 3.33Å; Y561-D701 PolarHBondContact OH-OD1 3.45Å; Y561-L704 HydrophobicContact CD1-CD1 4.35Å; Y561-L704 HydrophobicContact CE1-CD1 3.75Å
562	K	95.9	Very high	94.2	Very high	25 Å²	25	25.7 Å²	25.7	11%	0.109	13%	0.13	C	C	.	.	H	α-helix	trans	-61.7	-43.4	169.8	-69.8	-176.3	175	-176.8	0	111.4	L558 P559 L565 R566 Q567 L571 D575 P697	L558-K562 PolarHBondContact O-N 3.35Å; L558-K562 VanDerWaalsContact O-N 3.12Å; P559-K562 PolarHBondContact O-N 3.27Å; K562-L565 PolarHBondContact O-N 3.49Å; K562-R566 PolarHBondContact O-N 2.89Å; K562-Q567 HydrophobicContact CB-CB 4.17Å; K562-Q567 WeakPolarHBondContact O-CB 3.22Å; K562-Q567 PolarHBondContact O-N 2.91Å; K562-L571 HydrophobicContact CB-CD2 4.04Å; K562-L571 HydrophobicContact CD-CD2 3.5Å; K562-L571 HydrophobicContact CG-CD2 4.4Å; K562-D575 WeakPolarHBondContact CE-OD1 3.22Å; K562-D575 IonicContact NZ-OD1 2.84Å; K562-D575 PolarHBondContact NZ-OD1 2.82Å; K562-D575 IonicContact NZ-OD2 3.83Å; K562-P697 HydrophobicContact CG-CB 3.91Å; K562-P697 HydrophobicContact CG-CG 3.96Å
563	W	97.4	Very high	94	Very high	7 Å²	7	26.1 Å²	26.1	3%	0.027	13%	0.133	C	C	.	.	H	α-helix	trans	-61.1	-41.5	169.8	-94.8	97	0	0	0	112.2	P559 F560 L565 R566 E568 L668 N669 V672 C673 F676 R680	P559-W563 PolarHBondContact O-N 2.87Å; F560-W563 CarbonylContact O-C 3.48Å; F560-W563 WeakPolarHBondContact O-CB 3.44Å; F560-W563 PolarHBondContact O-N 3.22Å; W563-L565 VanDerWaalsContact C-N 3.27Å; W563-L565 PolarHBondContact O-N 3.28Å; W563-R566 PolarHBondContact O-N 2.86Å; W563-E568 HydrophobicContact CD2-CB 3.63Å; W563-E568 HydrophobicContact CD2-CG 4.29Å; W563-E568 HydrophobicContact CE3-CB 3.98Å; W563-E568 HydrophobicContact CE3-CG 4.14Å; W563-E568 HydrophobicContact CG-CB 4.16Å; W563-E568 HydrophobicContact CH2-CB 3.87Å; W563-E568 HydrophobicContact CH2-CG 3.63Å; W563-E568 HydrophobicContact CZ2-CB 3.46Å; W563-E568 VanDerWaalsContact CZ2-CB 3.46Å; W563-E568 HydrophobicContact CZ2-CG 3.74Å; W563-E568 HydrophobicContact CZ3-CB 4.12Å; W563-E568 HydrophobicContact CZ3-CG 3.85Å; W563-L668 PolarHBondContact NE1-O 3.02Å; W563-N669 HydrophobicContact CZ2-CB 4.4Å; W563-V672 HydrophobicContact CZ2-CG2 4.22Å; W563-C673 HydrophobicContact CH2-CB 3.98Å; W563-F676 HydrophobicContact CB-CD1 3.48Å; W563-F676 VanDerWaalsContact CB-CD1 3.48Å; W563-F676 HydrophobicContact CB-CD2 4.27Å; W563-F676 HydrophobicContact CB-CE1 3.56Å; W563-F676 HydrophobicContact CB-CE2 4.36Å; W563-F676 HydrophobicContact CB-CG 3.85Å; W563-F676 HydrophobicContact CB-CZ 4.03Å; W563-F676 AromaticContact CD1-CD2 3.95Å; W563-F676 AromaticContact CD1-CE2 3.77Å; W563-F676 HydrophobicContact CD2-CB 3.73Å; W563-F676 HydrophobicContact CD2-CD1 4.15Å; W563-F676 AromaticContact CD2-CD2 3.56Å; W563-F676 HydrophobicContact CD2-CD2 3.56Å; W563-F676 HydrophobicContact CD2-CE2 4.18Å; W563-F676 AromaticContact CD2-CG 3.55Å; W563-F676 HydrophobicContact CD2-CG 3.55Å; W563-F676 AromaticContact CE2-CD2 3.85Å; W563-F676 HydrophobicContact CE3-CB 3.24Å; W563-F676 HydrophobicContact CE3-CD1 4.34Å; W563-F676 HydrophobicContact CE3-CD2 4.01Å; W563-F676 AromaticContact CE3-CG 3.64Å; W563-F676 HydrophobicContact CE3-CG 3.64Å; W563-F676 HydrophobicContact CG-CB 4.3Å; W563-F676 AromaticContact CG-CD1 3.81Å; W563-F676 HydrophobicContact CG-CD1 3.81Å; W563-F676 AromaticContact CG-CD2 3.68Å; W563-F676 HydrophobicContact CG-CD2 3.68Å; W563-F676 AromaticContact CG-CE1 3.95Å; W563-F676 HydrophobicContact CG-CE1 3.95Å; W563-F676 AromaticContact CG-CE2 3.85Å; W563-F676 HydrophobicContact CG-CE2 3.85Å; W563-F676 AromaticContact CG-CG 3.66Å; W563-F676 HydrophobicContact CG-CG 3.66Å; W563-F676 AromaticContact CG-CZ 3.98Å; W563-F676 HydrophobicContact CG-CZ 3.98Å; W563-F676 HydrophobicContact CZ3-CB 3.7Å; W563-F676 HydrophobicContact CZ3-CG 4.42Å; W563-R680 VanDerWaalsContact CE3-NH2 3.3Å; W563-R680 PolarHBondContact O-NE 3.01Å; W563-R680 PolarHBondContact O-NH2 2.67Å
564	M	96	Very high	93.9	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-59.1	-39.4	176.9	-173.9	177.6	-171.5	0	0	112.1	F560 Y561 R566 F679 F683 L689 L692 L700 L704	F560-M564 PolarHBondContact O-N 3.03Å; Y561-M564 HydrophobicContact CD1-SD 4.41Å; Y561-M564 WeakPolarHBondContact O-CB 3.43Å; Y561-M564 PolarHBondContact O-N 3.26Å; M564-R566 PolarHBondContact O-N 3.33Å; M564-F679 HydrophobicContact CB-CE1 4.3Å; M564-F679 HydrophobicContact CE-CZ 4.49Å; M564-F679 HydrophobicContact CG-CE1 4.03Å; M564-F679 HydrophobicContact CG-CZ 4.48Å; M564-F679 HydrophobicContact SD-CZ 4.48Å; M564-F683 HydrophobicContact CE-CD2 3.79Å; M564-F683 HydrophobicContact CE-CE1 4.29Å; M564-F683 HydrophobicContact CE-CE2 3.21Å; M564-F683 HydrophobicContact CE-CZ 3.5Å; M564-L689 HydrophobicContact CE-CD2 3.92Å; M564-L689 HydrophobicContact CG-CD2 3.8Å; M564-L692 HydrophobicContact CE-CD1 3.24Å; M564-L692 HydrophobicContact SD-CD1 4.19Å; M564-L700 HydrophobicContact CG-CD1 4.47Å; M564-L700 HydrophobicContact SD-CD1 3.89Å; M564-L704 HydrophobicContact CE-CD1 4.2Å; M564-L704 HydrophobicContact SD-CD1 4.03Å
565	L	94.6	Very high	93.9	Very high	31 Å²	31	27.8 Å²	27.8	16%	0.162	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	11.3	-178.6	-65.2	-178.2	0	0	0	115.3	Y561 K562 W563 Q567 L692 P697 L700	Y561-L565 PolarHBondContact O-N 3.01Å; K562-L565 PolarHBondContact O-N 3.49Å; W563-L565 VanDerWaalsContact C-N 3.27Å; W563-L565 PolarHBondContact O-N 3.28Å; L565-Q567 HydrophobicContact CB-CG 4.18Å; L565-L692 HydrophobicContact CD2-CB 3.85Å; L565-P697 HydrophobicContact CD1-CB 4.44Å; L565-P697 HydrophobicContact CD1-CG 3.97Å; L565-L700 HydrophobicContact CD1-CD1 3.73Å; L565-L700 HydrophobicContact CD1-CG 4.37Å; L565-L700 HydrophobicContact CD2-CD1 3.92Å; L565-L700 HydrophobicContact CG-CD1 3.63Å
566	R	95.3	Very high	94	Very high	137 Å²	137	25.7 Å²	25.7	52%	0.517	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.3	38.4	-179.9	-52.9	179.9	-177.9	-84.1	0.8	114.3	K562 W563 M564 E568 E684	K562-R566 PolarHBondContact O-N 2.89Å; W563-R566 PolarHBondContact O-N 2.86Å; M564-R566 PolarHBondContact O-N 3.33Å; R566-E568 WeakPolarHBondContact CA-OE2 3.41Å; R566-E684 IonicContact CZ-OE1 3.18Å; R566-E684 IonicContact NH2-OE1 2.73Å; R566-E684 PolarHBondContact NH2-OE1 3.2Å
567	Q	94.6	Very high	93.7	Very high	57 Å²	57	28.6 Å²	28.6	27%	0.266	14%	0.138	S	C	.	.			trans	-109.3	13.4	-179.2	-58.5	179.3	1.1	0	0	113.3	K562 L565 T569 S570	K562-Q567 HydrophobicContact CB-CB 4.17Å; K562-Q567 WeakPolarHBondContact O-CB 3.22Å; K562-Q567 PolarHBondContact O-N 2.91Å; L565-Q567 HydrophobicContact CB-CG 4.18Å; Q567-T569 PolarHBondContact O-N 3.14Å; Q567-S570 PolarHBondContact O-N 3.09Å; Q567-S570 PolarHBondContact O-OG 3.42Å
568	E	95.3	Very high	93.4	Very high	31 Å²	31	30.6 Å²	30.6	15%	0.145	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-58.7	-31.1	-175.9	67.5	-89.6	-142.2	0	0	114	W563 R566 S570 L571 N669 R680	W563-E568 HydrophobicContact CD2-CB 3.63Å; W563-E568 HydrophobicContact CD2-CG 4.29Å; W563-E568 HydrophobicContact CE3-CB 3.98Å; W563-E568 HydrophobicContact CE3-CG 4.14Å; W563-E568 HydrophobicContact CG-CB 4.16Å; W563-E568 HydrophobicContact CH2-CB 3.87Å; W563-E568 HydrophobicContact CH2-CG 3.63Å; W563-E568 HydrophobicContact CZ2-CB 3.46Å; W563-E568 VanDerWaalsContact CZ2-CB 3.46Å; W563-E568 HydrophobicContact CZ2-CG 3.74Å; W563-E568 HydrophobicContact CZ3-CB 4.12Å; W563-E568 HydrophobicContact CZ3-CG 3.85Å; R566-E568 WeakPolarHBondContact CA-OE2 3.41Å; E568-S570 PolarHBondContact O-N 3.2Å; E568-L571 HydrophobicContact CB-CD1 4.23Å; E568-L571 WeakPolarHBondContact O-CB 3.44Å; E568-L571 WeakPolarHBondContact O-CG 3.38Å; E568-L571 PolarHBondContact O-N 3.25Å; E568-N669 WeakPolarHBondContact CB-OD1 3.39Å; E568-N669 PolarHBondContact O-ND2 2.94Å; E568-N669 PolarHBondContact O-OD1 3.41Å; E568-N669 VanDerWaalsContact O-OD1 3.1Å; E568-R680 IonicContact OE1-CZ 3.5Å; E568-R680 IonicContact OE1-NH1 2.92Å; E568-R680 PolarHBondContact OE1-NH1 3.07Å; E568-R680 IonicContact OE1-NH2 2.81Å; E568-R680 PolarHBondContact OE1-NH2 2.85Å; E568-R680 IonicContact OE2-CZ 3.65Å; E568-R680 IonicContact OE2-NH1 2.68Å; E568-R680 IonicContact OE2-NH2 3.11Å; E568-R680 PolarHBondContact OE2-NH2 3.45Å
569	T	95.3	Very high	93.2	Very high	84 Å²	84	28.3 Å²	28.3	52%	0.515	14%	0.137	S	C	.	.	G	3₁₀ helix	trans	-69.1	-14.7	179.3	56.3	0	0	0	0	113.1	V284 A285 Q567	V284-T569 CarbonylContact C-O 3.56Å; V284-T569 WeakPolarHBondContact CA-O 3.39Å; A285-T569 PolarHBondContact N-O 3.38Å; Q567-T569 PolarHBondContact O-N 3.14Å
570	S	93.8	Very high	92.9	Very high	10 Å²	10	30.4 Å²	30.4	7%	0.07	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-97.1	-1.7	177.6	69.2	0	0	0	0	114.1	A285 Y325 Q567 E568	A285-S570 WeakPolarHBondContact O-CA 3.5Å; A285-S570 WeakPolarHBondContact O-CB 3.26Å; Y325-S570 PolarHBondContact OH-O 3.32Å; Q567-S570 PolarHBondContact O-N 3.09Å; Q567-S570 PolarHBondContact O-OG 3.42Å; E568-S570 PolarHBondContact O-N 3.2Å
571	L	93.7	Very high	92.6	Very high	3 Å²	3	31.6 Å²	31.6	2%	0.016	16%	0.156	C	C	.	.			trans	-66.8	137.3	-178.9	-65.2	173.6	0	0	0	111.2	P559 K562 E568 D575 L668	P559-L571 HydrophobicContact CB-CD2 4.35Å; K562-L571 HydrophobicContact CB-CD2 4.04Å; K562-L571 HydrophobicContact CD-CD2 3.5Å; K562-L571 HydrophobicContact CG-CD2 4.4Å; E568-L571 HydrophobicContact CB-CD1 4.23Å; E568-L571 WeakPolarHBondContact O-CB 3.44Å; E568-L571 WeakPolarHBondContact O-CG 3.38Å; E568-L571 PolarHBondContact O-N 3.25Å; L571-D575 WeakPolarHBondContact CA-OD2 3.36Å; L571-D575 HydrophobicContact CD2-CB 3.85Å; L571-D575 VanDerWaalsContact CD2-CG 3.44Å; L571-D575 WeakPolarHBondContact CD2-OD1 3.25Å; L571-L668 HydrophobicContact CB-CB 4.25Å; L571-L668 HydrophobicContact CB-CD1 3.96Å; L571-L668 HydrophobicContact CD1-CB 4.05Å
572	T	90.8	Very high	92.3	Very high	24 Å²	24	35.8 Å²	35.8	15%	0.147	18%	0.181	C	C	.	.			trans	-130	-179.8	-174.5	60.4	0	0	0	0	111.4	V284 Y325 H574 D575 L668	V284-T572 HydrophobicContact CG1-CG2 3.98Å; Y325-T572 HydrophobicContact CE1-CG2 3.89Å; T572-H574 PolarHBondContact O-N 3.09Å; T572-H574 VanDerWaalsContact O-N 3.15Å; T572-H574 PolarHBondContact OG1-N 3.32Å; T572-D575 PolarHBondContact N-OD2 3.17Å; T572-D575 WeakPolarHBondContact O-CB 3.48Å; T572-D575 PolarHBondContact O-N 2.85Å; T572-D575 VanDerWaalsContact O-N 3.08Å; T572-D575 PolarHBondContact OG1-OD2 3.04Å; T572-L668 WeakPolarHBondContact O-CD1 3.42Å
573	S	90.2	Very high	92.1	Very high	10 Å²	10	35.7 Å²	35.7	7%	0.07	18%	0.183	C	C	.	.	H	α-helix	trans	-56.4	-25	170.5	49.5	0	0	0	0	113.2	D575 L576 Y588 E591	S573-D575 VanDerWaalsContact C-N 3.33Å; S573-D575 PolarHBondContact O-N 2.93Å; S573-L576 VanDerWaalsContact O-CB 3.31Å; S573-L576 WeakPolarHBondContact O-CB 3.08Å; S573-L576 PolarHBondContact O-N 2.78Å; S573-Y588 PolarHBondContact O-OH 3.18Å; S573-E591 WeakPolarHBondContact CB-OE1 3.2Å; S573-E591 PolarHBondContact OG-OE1 3.13Å; S573-E591 PolarHBondContact OG-OE2 3.19Å
574	H	87	Confident	91.9	Very high	48 Å²	48	35.3 Å²	35.3	22%	0.222	18%	0.182	C	C	.	.	H	α-helix	trans	-62.2	-39.7	174.2	-64.8	-45.9	0	0	0	113.3	C332 T572 L576 F577 Y588	C332-H574 HydrophobicContact CB-CB 4.16Å; T572-H574 PolarHBondContact O-N 3.09Å; T572-H574 VanDerWaalsContact O-N 3.15Å; T572-H574 PolarHBondContact OG1-N 3.32Å; H574-L576 PolarHBondContact O-N 3.37Å; H574-F577 WeakPolarHBondContact O-CB 3.47Å; H574-F577 PolarHBondContact O-N 2.98Å; H574-Y588 WeakPolarHBondContact CA-OH 3.33Å; H574-Y588 AromaticContact ND1-CE1 3.98Å; H574-Y588 AromaticContact ND1-CZ 3.99Å; H574-Y588 PolarHBondContact ND1-OH 2.83Å
575	D	92.5	Very high	91.7	Very high	4 Å²	4	41.2 Å²	41.2	2%	0.021	20%	0.204	C	C	.	.	H	α-helix	trans	-70.1	-22.7	178.7	-61.5	-80.5	0	0	0	112.5	P559 K562 L571 T572 S573 F577 D578 L668	P559-D575 HydrophobicContact CG-CB 4.11Å; P559-D575 WeakPolarHBondContact CG-O 3.41Å; K562-D575 WeakPolarHBondContact CE-OD1 3.22Å; K562-D575 IonicContact NZ-OD1 2.84Å; K562-D575 PolarHBondContact NZ-OD1 2.82Å; K562-D575 IonicContact NZ-OD2 3.83Å; L571-D575 WeakPolarHBondContact CA-OD2 3.36Å; L571-D575 HydrophobicContact CD2-CB 3.85Å; L571-D575 VanDerWaalsContact CD2-CG 3.44Å; L571-D575 WeakPolarHBondContact CD2-OD1 3.25Å; T572-D575 PolarHBondContact N-OD2 3.17Å; T572-D575 WeakPolarHBondContact O-CB 3.48Å; T572-D575 PolarHBondContact O-N 2.85Å; T572-D575 VanDerWaalsContact O-N 3.08Å; T572-D575 PolarHBondContact OG1-OD2 3.04Å; S573-D575 VanDerWaalsContact C-N 3.33Å; S573-D575 PolarHBondContact O-N 2.93Å; D575-F577 PolarHBondContact O-N 3.34Å; D575-D578 PolarHBondContact O-N 3.44Å; D575-L668 HydrophobicContact CB-CD1 4.05Å
576	L	92	Very high	91.6	Very high	2 Å²	2	42.5 Å²	42.5	1%	0.01	22%	0.215	C	C	.	.	H	α-helix	trans	-66.3	-29.3	176	-172.9	59.2	0	0	0	111.6	S573 H574 D578 I579 D580 V583 A584 V587 A667 L668	S573-L576 VanDerWaalsContact O-CB 3.31Å; S573-L576 WeakPolarHBondContact O-CB 3.08Å; S573-L576 PolarHBondContact O-N 2.78Å; H574-L576 PolarHBondContact O-N 3.37Å; L576-D578 VanDerWaalsContact C-N 3.25Å; L576-D578 PolarHBondContact O-N 2.95Å; L576-I579 PolarHBondContact O-N 2.93Å; L576-I579 VanDerWaalsContact O-N 3.1Å; L576-D580 CarbonylContact O-C 3.59Å; L576-D580 PolarHBondContact O-N 3.33Å; L576-V583 HydrophobicContact CD2-CG1 4.02Å; L576-A584 HydrophobicContact CB-CB 4.26Å; L576-A584 HydrophobicContact CG-CB 4.14Å; L576-V587 HydrophobicContact CD2-CG2 4Å; L576-A667 HydrophobicContact CD1-CB 3.98Å; L576-L668 HydrophobicContact CD1-CD2 4.28Å
577	F	88.9	Confident	91.5	Very high	70 Å²	70	36.2 Å²	36.2	31%	0.307	19%	0.192	S	C	.	.	H	α-helix	trans	-62.2	-35.9	176.1	-170.8	-87.8	0	0	0	111.8	H574 D575 I579 P581 A584 Y588	H574-F577 WeakPolarHBondContact O-CB 3.47Å; H574-F577 PolarHBondContact O-N 2.98Å; D575-F577 PolarHBondContact O-N 3.34Å; F577-I579 PolarHBondContact O-N 3.24Å; F577-I579 VanDerWaalsContact O-N 3.16Å; F577-P581 HydrophobicContact CD2-CB 4.27Å; F577-P581 HydrophobicContact CE2-CB 4.03Å; F577-P581 HydrophobicContact CZ-CB 4.27Å; F577-P581 WeakPolarHBondContact O-CD 3.31Å; F577-P581 WeakPolarHBondContact O-CG 3.45Å; F577-A584 VanDerWaalsContact CA-CB 3.5Å; F577-A584 HydrophobicContact CB-CB 3.92Å; F577-A584 HydrophobicContact CD2-CB 4.11Å; F577-A584 HydrophobicContact CG-CB 4.48Å; F577-Y588 HydrophobicContact CD2-CE2 4.21Å
578	D	85.3	Confident	91.4	Very high	43 Å²	43	36.3 Å²	36.3	23%	0.23	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	5.5	177.4	-61.2	-30.6	0	0	0	113.2	Q512 P559 D575 L576	Q512-D578 VanDerWaalsContact CB-C 3.49Å; Q512-D578 WeakPolarHBondContact CB-O 3.37Å; P559-D578 HydrophobicContact CG-CB 4.06Å; D575-D578 PolarHBondContact O-N 3.44Å; L576-D578 VanDerWaalsContact C-N 3.25Å; L576-D578 PolarHBondContact O-N 2.95Å
579	I	89.7	Confident	91.2	Very high	4 Å²	4	39.1 Å²	39.1	2%	0.021	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125.2	-51.5	179.3	-66.5	160.8	0	0	0	110.5	N510 F515 P559 L576 F577 L668	N510-I579 PolarHBondContact ND2-O 3.49Å; N510-I579 VanDerWaalsContact ND2-O 3.11Å; F515-I579 HydrophobicContact CB-CD1 4.39Å; F515-I579 HydrophobicContact CB-CG1 3.87Å; F515-I579 HydrophobicContact CB-CG2 4.19Å; F515-I579 HydrophobicContact CD1-CD1 3.47Å; F515-I579 VanDerWaalsContact CD1-CD1 3.47Å; F515-I579 HydrophobicContact CD1-CG1 3.86Å; F515-I579 HydrophobicContact CD1-CG2 4Å; F515-I579 HydrophobicContact CD2-CD1 4.11Å; F515-I579 HydrophobicContact CD2-CG1 4.32Å; F515-I579 HydrophobicContact CE1-CD1 3.61Å; F515-I579 HydrophobicContact CE1-CG1 4.48Å; F515-I579 HydrophobicContact CE2-CD1 4.23Å; F515-I579 HydrophobicContact CG-CD1 3.72Å; F515-I579 HydrophobicContact CG-CG1 3.75Å; F515-I579 HydrophobicContact CG-CG2 4.4Å; F515-I579 HydrophobicContact CZ-CD1 3.99Å; P559-I579 HydrophobicContact CB-CD1 3.94Å; P559-I579 HydrophobicContact CB-CG1 4.46Å; P559-I579 HydrophobicContact CG-CD1 3.8Å; P559-I579 HydrophobicContact CG-CG1 3.99Å; L576-I579 PolarHBondContact O-N 2.93Å; L576-I579 VanDerWaalsContact O-N 3.1Å; F577-I579 PolarHBondContact O-N 3.24Å; F577-I579 VanDerWaalsContact O-N 3.16Å; I579-L668 HydrophobicContact CD1-CD2 3.18Å
580	D	89.7	Confident	91.2	Very high	45 Å²	45	35.4 Å²	35.4	24%	0.241	18%	0.181	C	C	.	.			trans	-143.2	90.1	-178.3	-169.7	-32.4	0	0	0	109.9	L576 V582 V583 A584	L576-D580 CarbonylContact O-C 3.59Å; L576-D580 PolarHBondContact O-N 3.33Å; D580-V582 PolarHBondContact O-N 2.92Å; D580-V582 WeakPolarHBondContact OD1-CB 3.17Å; D580-V582 PolarHBondContact OD1-N 3.2Å; D580-V583 HydrophobicContact CB-CB 4.17Å; D580-V583 HydrophobicContact CB-CG2 4.36Å; D580-V583 VanDerWaalsContact CG-CG2 3.46Å; D580-V583 PolarHBondContact O-N 3.26Å; D580-V583 PolarHBondContact OD1-N 3.15Å; D580-V583 VanDerWaalsContact OD2-CG2 3.23Å; D580-V583 WeakPolarHBondContact OD2-CG2 3.45Å; D580-A584 VanDerWaalsContact O-CB 3.3Å; D580-A584 WeakPolarHBondContact O-CB 3.46Å; D580-A584 PolarHBondContact O-N 2.88Å
581	P	90.1	Very high	91.2	Very high	25 Å²	25	37.2 Å²	37.2	16%	0.162	19%	0.188	C	C	.	.	H	α-helix	trans	-59.1	-27	179.1	-25.3	32.6	0	0	0	114.1	Q512 F577 R585	Q512-P581 HydrophobicContact CG-CG 3.63Å; F577-P581 HydrophobicContact CD2-CB 4.27Å; F577-P581 HydrophobicContact CE2-CB 4.03Å; F577-P581 HydrophobicContact CZ-CB 4.27Å; F577-P581 WeakPolarHBondContact O-CD 3.31Å; F577-P581 WeakPolarHBondContact O-CG 3.45Å; P581-R585 WeakPolarHBondContact O-CB 3.41Å; P581-R585 VanDerWaalsContact O-CG 3.3Å; P581-R585 WeakPolarHBondContact O-CG 3.35Å; P581-R585 PolarHBondContact O-N 2.85Å; P581-R585 VanDerWaalsContact O-N 3.09Å; P581-R585 PolarHBondContact O-NE 3.28Å
582	V	90.6	Very high	91	Very high	91 Å²	91	39.6 Å²	39.6	55%	0.552	20%	0.201	S	C	*	.	H	α-helix	trans	-74	-49.5	-178.2	177.9	0	0	0	0	109.7	D580 R585 S586	D580-V582 PolarHBondContact O-N 2.92Å; D580-V582 WeakPolarHBondContact OD1-CB 3.17Å; D580-V582 PolarHBondContact OD1-N 3.2Å; V582-R585 PolarHBondContact O-N 3.26Å; V582-S586 PolarHBondContact O-N 2.68Å; V582-S586 PolarHBondContact O-OG 2.76Å; V582-S586 VanDerWaalsContact O-OG 3.09Å
583	V	92.4	Very high	91.2	Very high	23 Å²	23	38.7 Å²	38.7	14%	0.139	20%	0.195	C	C	.	.	H	α-helix	trans	-64.8	-42.3	175.5	178.2	0	0	0	0	110.4	L576 D580 R585 S586 V587 P635	L576-V583 HydrophobicContact CD2-CG1 4.02Å; D580-V583 HydrophobicContact CB-CB 4.17Å; D580-V583 HydrophobicContact CB-CG2 4.36Å; D580-V583 VanDerWaalsContact CG-CG2 3.46Å; D580-V583 PolarHBondContact O-N 3.26Å; D580-V583 PolarHBondContact OD1-N 3.15Å; D580-V583 VanDerWaalsContact OD2-CG2 3.23Å; D580-V583 WeakPolarHBondContact OD2-CG2 3.45Å; V583-R585 PolarHBondContact O-N 3.4Å; V583-S586 WeakPolarHBondContact O-CB 3.41Å; V583-S586 PolarHBondContact O-N 3.42Å; V583-S586 VanDerWaalsContact O-N 3.13Å; V583-V587 HydrophobicContact CG1-CG2 4.31Å; V583-V587 WeakPolarHBondContact O-CG2 3.41Å; V583-V587 PolarHBondContact O-N 2.94Å; V583-P635 HydrophobicContact CG1-CB 3.92Å; V583-P635 HydrophobicContact CG1-CG 4.21Å; V583-P635 HydrophobicContact CG2-CB 4.01Å
584	A	91.6	Very high	91.3	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-59.1	-43.7	178.4	0	0	0	0	0	112.9	L576 F577 D580 S586 V587 Y588	L576-A584 HydrophobicContact CB-CB 4.26Å; L576-A584 HydrophobicContact CG-CB 4.14Å; F577-A584 VanDerWaalsContact CA-CB 3.5Å; F577-A584 HydrophobicContact CB-CB 3.92Å; F577-A584 HydrophobicContact CD2-CB 4.11Å; F577-A584 HydrophobicContact CG-CB 4.48Å; D580-A584 VanDerWaalsContact O-CB 3.3Å; D580-A584 WeakPolarHBondContact O-CB 3.46Å; D580-A584 PolarHBondContact O-N 2.88Å; A584-S586 VanDerWaalsContact C-N 3.31Å; A584-S586 PolarHBondContact O-N 3.09Å; A584-V587 PolarHBondContact O-N 3.04Å; A584-Y588 WeakPolarHBondContact O-CD2 3.32Å; A584-Y588 VanDerWaalsContact O-CG 3.23Å; A584-Y588 PolarHBondContact O-N 3.39Å
585	R	91.6	Very high	91.5	Very high	124 Å²	124	38.3 Å²	38.3	47%	0.468	19%	0.191	S	C	.	.	H	α-helix	trans	-59.7	-42.1	174.9	-79.6	-175.6	-68.9	-106.5	2.3	112.1	P581 V582 V583 Y588 H589	P581-R585 WeakPolarHBondContact O-CB 3.41Å; P581-R585 VanDerWaalsContact O-CG 3.3Å; P581-R585 WeakPolarHBondContact O-CG 3.35Å; P581-R585 PolarHBondContact O-N 2.85Å; P581-R585 VanDerWaalsContact O-N 3.09Å; P581-R585 PolarHBondContact O-NE 3.28Å; V582-R585 PolarHBondContact O-N 3.26Å; V583-R585 PolarHBondContact O-N 3.4Å; R585-Y588 PolarHBondContact O-N 3.29Å; R585-H589 PolarHBondContact O-CD2 3.22Å; R585-H589 PolarHBondContact O-N 3.09Å; R585-H589 VanDerWaalsContact O-N 3.15Å
586	S	93.3	Very high	91.3	Very high	57 Å²	57	41.3 Å²	41.3	40%	0.399	21%	0.205	S	C	.	.	H	α-helix	trans	-64.1	-43.1	177.1	-52.8	0	0	0	0	111.3	V582 V583 A584 Y588 H589 L590	V582-S586 PolarHBondContact O-N 2.68Å; V582-S586 PolarHBondContact O-OG 2.76Å; V582-S586 VanDerWaalsContact O-OG 3.09Å; V583-S586 WeakPolarHBondContact O-CB 3.41Å; V583-S586 PolarHBondContact O-N 3.42Å; V583-S586 VanDerWaalsContact O-N 3.13Å; A584-S586 VanDerWaalsContact C-N 3.31Å; A584-S586 PolarHBondContact O-N 3.09Å; S586-Y588 PolarHBondContact O-N 3.4Å; S586-H589 PolarHBondContact O-N 3Å; S586-L590 WeakPolarHBondContact O-CG 3.42Å; S586-L590 PolarHBondContact O-N 3.12Å; S586-L590 VanDerWaalsContact O-N 3.15Å
587	V	94.3	Very high	91.4	Very high	6 Å²	6	42 Å²	42	4%	0.036	21%	0.208	C	C	.	.	H	α-helix	trans	-59.2	-45.2	173.9	167.1	0	0	0	0	111.2	L576 V583 A584 H589 L590 E591 L660 V663 I664	L576-V587 HydrophobicContact CD2-CG2 4Å; V583-V587 HydrophobicContact CG1-CG2 4.31Å; V583-V587 WeakPolarHBondContact O-CG2 3.41Å; V583-V587 PolarHBondContact O-N 2.94Å; A584-V587 PolarHBondContact O-N 3.04Å; V587-H589 VanDerWaalsContact C-N 3.34Å; V587-H589 PolarHBondContact O-N 3.1Å; V587-L590 PolarHBondContact O-N 3.39Å; V587-L590 VanDerWaalsContact O-N 3.16Å; V587-E591 HydrophobicContact CG1-CG 4.19Å; V587-E591 WeakPolarHBondContact O-CG 3.33Å; V587-E591 PolarHBondContact O-N 3.38Å; V587-L660 HydrophobicContact CG1-CD2 4.21Å; V587-L660 HydrophobicContact CG2-CD2 4.37Å; V587-V663 HydrophobicContact CG2-CG1 4.36Å; V587-I664 HydrophobicContact CG1-CD1 4.32Å; V587-I664 HydrophobicContact CG1-CG1 4.46Å
588	Y	91.1	Very high	91.4	Very high	58 Å²	58	41.7 Å²	41.7	23%	0.227	21%	0.206	C	C	.	.	H	α-helix	trans	-61.7	-38.1	178.7	-64.1	-27.2	0	0	0	113.4	S573 H574 F577 A584 R585 S586 E591 D592	S573-Y588 PolarHBondContact O-OH 3.18Å; H574-Y588 WeakPolarHBondContact CA-OH 3.33Å; H574-Y588 AromaticContact ND1-CE1 3.98Å; H574-Y588 AromaticContact ND1-CZ 3.99Å; H574-Y588 PolarHBondContact ND1-OH 2.83Å; F577-Y588 HydrophobicContact CD2-CE2 4.21Å; A584-Y588 WeakPolarHBondContact O-CD2 3.32Å; A584-Y588 VanDerWaalsContact O-CG 3.23Å; A584-Y588 PolarHBondContact O-N 3.39Å; R585-Y588 PolarHBondContact O-N 3.29Å; S586-Y588 PolarHBondContact O-N 3.4Å; Y588-E591 WeakPolarHBondContact CD1-OE2 3.39Å; Y588-E591 PolarHBondContact O-N 2.94Å; Y588-D592 PolarHBondContact O-N 3.11Å
589	H	92.1	Very high	91.5	Very high	90 Å²	90	44.1 Å²	44.1	42%	0.417	21%	0.212	S	C	.	.	H	α-helix	trans	-64.8	-41.7	174.6	-74.2	-62.5	0	0	0	111.8	R585 S586 V587 D592 I593 M620	R585-H589 PolarHBondContact O-CD2 3.22Å; R585-H589 PolarHBondContact O-N 3.09Å; R585-H589 VanDerWaalsContact O-N 3.15Å; S586-H589 PolarHBondContact O-N 3Å; V587-H589 VanDerWaalsContact C-N 3.34Å; V587-H589 PolarHBondContact O-N 3.1Å; H589-D592 WeakPolarHBondContact O-CB 3.47Å; H589-D592 PolarHBondContact O-N 3.41Å; H589-I593 PolarHBondContact O-N 2.97Å; H589-M620 HydrophobicContact CB-CG 4Å; H589-M620 HydrophobicContact CB-SD 3.76Å
590	L	95.2	Very high	91.6	Very high	7 Å²	7	45.8 Å²	45.8	4%	0.037	22%	0.221	C	C	.	.	H	α-helix	trans	-70	-35.8	176.9	-66.1	175.1	0	0	0	112.3	S586 V587 D592 I593 V594 M620 L628 L630 L656 Y659 L660	S586-L590 WeakPolarHBondContact O-CG 3.42Å; S586-L590 PolarHBondContact O-N 3.12Å; S586-L590 VanDerWaalsContact O-N 3.15Å; V587-L590 PolarHBondContact O-N 3.39Å; V587-L590 VanDerWaalsContact O-N 3.16Å; L590-D592 VanDerWaalsContact C-N 3.28Å; L590-D592 PolarHBondContact O-N 3.35Å; L590-I593 HydrophobicContact CD2-CD1 4.12Å; L590-I593 WeakPolarHBondContact O-CB 3.17Å; L590-I593 PolarHBondContact O-N 3.5Å; L590-V594 PolarHBondContact O-N 3.01Å; L590-M620 HydrophobicContact CD2-SD 3.87Å; L590-M620 HydrophobicContact CG-SD 4.17Å; L590-L628 HydrophobicContact CD2-CD1 3.86Å; L590-L630 HydrophobicContact CD1-CD1 4.1Å; L590-L656 HydrophobicContact CB-CD1 4.18Å; L590-L656 HydrophobicContact CB-CD2 4.48Å; L590-L656 HydrophobicContact CD1-CD1 4.23Å; L590-L656 HydrophobicContact CD2-CD1 4.09Å; L590-L656 HydrophobicContact CD2-CD2 4.42Å; L590-L656 HydrophobicContact CG-CD1 4.39Å; L590-Y659 HydrophobicContact CD1-CE1 4.2Å; L590-L660 HydrophobicContact CB-CD1 3.97Å; L590-L660 HydrophobicContact CB-CD2 3.69Å; L590-L660 HydrophobicContact CB-CG 4.34Å; L590-L660 HydrophobicContact CD1-CD2 3.94Å; L590-L660 HydrophobicContact CG-CD2 4.48Å
591	E	92.8	Very high	91.6	Very high	47 Å²	47	48.2 Å²	48.2	22%	0.22	23%	0.231	C	C	.	.	H	α-helix	trans	-62.8	-35.3	171.3	-75.4	178.7	158.4	0	0	111.6	S573 V587 Y588 V594 R595 L660	S573-E591 WeakPolarHBondContact CB-OE1 3.2Å; S573-E591 PolarHBondContact OG-OE1 3.13Å; S573-E591 PolarHBondContact OG-OE2 3.19Å; V587-E591 HydrophobicContact CG1-CG 4.19Å; V587-E591 WeakPolarHBondContact O-CG 3.33Å; V587-E591 PolarHBondContact O-N 3.38Å; Y588-E591 WeakPolarHBondContact CD1-OE2 3.39Å; Y588-E591 PolarHBondContact O-N 2.94Å; E591-V594 PolarHBondContact O-N 3.37Å; E591-R595 WeakPolarHBondContact O-CG 3.45Å; E591-R595 PolarHBondContact O-N 3.01Å; E591-L660 HydrophobicContact CG-CD1 3.95Å
592	D	90.5	Very high	91.5	Very high	54 Å²	54	53.1 Å²	53.1	29%	0.289	25%	0.252	S	S	.	.	H	α-helix	trans	-61.9	-43.3	172.6	-165.5	73.9	0	0	0	112	Y588 H589 L590 V594 R595 Q596	Y588-D592 PolarHBondContact O-N 3.11Å; H589-D592 WeakPolarHBondContact O-CB 3.47Å; H589-D592 PolarHBondContact O-N 3.41Å; L590-D592 VanDerWaalsContact C-N 3.28Å; L590-D592 PolarHBondContact O-N 3.35Å; D592-V594 PolarHBondContact O-N 3.16Å; D592-R595 VanDerWaalsContact CA-NH2 3.32Å; D592-R595 WeakPolarHBondContact O-CB 3.16Å; D592-R595 PolarHBondContact O-N 2.93Å; D592-R595 IonicContact OD1-CZ 3.95Å; D592-R595 IonicContact OD1-NH1 2.71Å; D592-R595 PolarHBondContact OD1-NH1 2.98Å; D592-R595 IonicContact OD1-NH2 2.74Å; D592-R595 PolarHBondContact OD1-NH2 2.89Å; D592-Q596 WeakPolarHBondContact O-CG 3.3Å; D592-Q596 PolarHBondContact O-N 3.25Å; D592-Q596 PolarHBondContact OD2-NE2 3.31Å
593	I	93.6	Very high	91.3	Very high	4 Å²	4	51.8 Å²	51.8	2%	0.021	24%	0.241	C	C	.	.	H	α-helix	trans	-61	-43.6	173.8	-64.8	168.9	0	0	0	111	H589 L590 R595 Q596 K597 L618 M620 V625 I653 L656	H589-I593 PolarHBondContact O-N 2.97Å; L590-I593 HydrophobicContact CD2-CD1 4.12Å; L590-I593 WeakPolarHBondContact O-CB 3.17Å; L590-I593 PolarHBondContact O-N 3.5Å; I593-R595 VanDerWaalsContact C-N 3.31Å; I593-R595 PolarHBondContact O-N 3.44Å; I593-Q596 PolarHBondContact O-N 2.95Å; I593-K597 WeakPolarHBondContact O-CB 3.22Å; I593-K597 PolarHBondContact O-N 3.47Å; I593-L618 HydrophobicContact CG2-CB 4.08Å; I593-L618 HydrophobicContact CG2-CD1 4.22Å; I593-M620 HydrophobicContact CD1-CB 3.71Å; I593-M620 HydrophobicContact CD1-CG 4.33Å; I593-V625 HydrophobicContact CD1-CG2 4.31Å; I593-V625 HydrophobicContact CG2-CG2 4.3Å; I593-I653 HydrophobicContact CG2-CD1 3.51Å; I593-L656 HydrophobicContact CB-CD2 4.18Å; I593-L656 HydrophobicContact CG2-CD2 3.88Å
594	V	93.4	Very high	91	Very high	11 Å²	11	60.6 Å²	60.6	7%	0.067	28%	0.278	C	S	.	.	H	α-helix	trans	-61.3	-40.1	175.6	172	0	0	0	0	111.4	L590 E591 D592 K597 K598 L656 E657 L660	L590-V594 PolarHBondContact O-N 3.01Å; E591-V594 PolarHBondContact O-N 3.37Å; D592-V594 PolarHBondContact O-N 3.16Å; V594-K597 PolarHBondContact O-N 3.37Å; V594-K598 HydrophobicContact CG1-CD 4.32Å; V594-K598 WeakPolarHBondContact O-CG 3.46Å; V594-K598 PolarHBondContact O-N 3.34Å; V594-L656 HydrophobicContact CG2-CB 4.3Å; V594-L656 HydrophobicContact CG2-CD2 3.73Å; V594-L656 HydrophobicContact CG2-CG 3.77Å; V594-E657 HydrophobicContact CG1-CB 4.22Å; V594-E657 HydrophobicContact CG1-CG 4.34Å; V594-E657 HydrophobicContact CG2-CB 4.35Å; V594-L660 HydrophobicContact CG2-CD1 3.81Å
595	R	90	Very high	90.9	Very high	40 Å²	40	65.2 Å²	65.2	15%	0.151	31%	0.31	C	S	.	.	H	α-helix	trans	-63.2	-44.5	174.4	-74.2	-173.6	-78.6	97.1	-2.9	111.5	N329 E591 D592 I593 K598 R599	N329-R595 PolarHBondContact OD1-NH2 3.49Å; E591-R595 WeakPolarHBondContact O-CG 3.45Å; E591-R595 PolarHBondContact O-N 3.01Å; D592-R595 VanDerWaalsContact CA-NH2 3.32Å; D592-R595 WeakPolarHBondContact O-CB 3.16Å; D592-R595 PolarHBondContact O-N 2.93Å; D592-R595 IonicContact OD1-CZ 3.95Å; D592-R595 IonicContact OD1-NH1 2.71Å; D592-R595 PolarHBondContact OD1-NH1 2.98Å; D592-R595 IonicContact OD1-NH2 2.74Å; D592-R595 PolarHBondContact OD1-NH2 2.89Å; I593-R595 VanDerWaalsContact C-N 3.31Å; I593-R595 PolarHBondContact O-N 3.44Å; R595-K598 PolarHBondContact O-N 3.02Å; R595-R599 WeakPolarHBondContact O-CG 3.13Å; R595-R599 PolarHBondContact O-N 3.31Å; R595-R599 VanDerWaalsContact O-N 3.11Å
596	Q	90	Very high	90.5	Very high	66 Å²	66	62.3 Å²	62.3	31%	0.308	30%	0.302	S	S	.	.	H	α-helix	trans	-61.7	-44.1	175.5	-67.1	179	32.1	0	0	111.9	D592 I593 K598 R599 L600 L618	D592-Q596 WeakPolarHBondContact O-CG 3.3Å; D592-Q596 PolarHBondContact O-N 3.25Å; D592-Q596 PolarHBondContact OD2-NE2 3.31Å; I593-Q596 PolarHBondContact O-N 2.95Å; Q596-K598 PolarHBondContact O-N 3.31Å; Q596-R599 WeakPolarHBondContact O-CB 3.29Å; Q596-R599 PolarHBondContact O-N 2.97Å; Q596-L600 WeakPolarHBondContact O-CG 3.37Å; Q596-L600 PolarHBondContact O-N 3.22Å; Q596-L600 VanDerWaalsContact O-N 3.08Å; Q596-L618 HydrophobicContact CB-CD2 3.83Å; Q596-L618 VanDerWaalsContact OE1-CD2 3.31Å
597	K	92.4	Very high	90.4	Very high	16 Å²	16	63.5 Å²	63.5	7%	0.07	31%	0.307	C	S	.	.	H	α-helix	trans	-55.2	-50.8	173.2	165.8	177.2	-179.5	-170	0	111.8	I593 V594 R599 L600 E601 L615 L618 I653 H654	I593-K597 WeakPolarHBondContact O-CB 3.22Å; I593-K597 PolarHBondContact O-N 3.47Å; V594-K597 PolarHBondContact O-N 3.37Å; K597-R599 VanDerWaalsContact C-N 3.27Å; K597-R599 PolarHBondContact O-N 3.29Å; K597-L600 PolarHBondContact O-N 2.88Å; K597-L600 VanDerWaalsContact O-N 3.13Å; K597-E601 WeakPolarHBondContact CE-OE1 3.33Å; K597-E601 HydrophobicContact CG-CG 4.4Å; K597-E601 WeakPolarHBondContact O-CG 3.49Å; K597-E601 PolarHBondContact O-N 2.98Å; K597-L615 HydrophobicContact CB-CD2 3.95Å; K597-L615 HydrophobicContact CD-CD2 4.46Å; K597-L615 HydrophobicContact CG-CD2 3.66Å; K597-L618 HydrophobicContact CB-CD1 3.85Å; K597-I653 HydrophobicContact CD-CD1 4.21Å; K597-I653 HydrophobicContact CD-CG1 4.28Å; K597-I653 PolarHBondContact NZ-O 2.91Å; K597-H654 PolarHBondContact NZ-O 3.17Å
598	K	90.7	Very high	90.1	Very high	65 Å²	65	71.7 Å²	71.7	28%	0.283	34%	0.342	S	S	.	.	H	α-helix	trans	-59	-38.1	179.3	-75.5	177.9	179.3	179.8	0	112.1	V594 R595 Q596 E601 Q602 E657	V594-K598 HydrophobicContact CG1-CD 4.32Å; V594-K598 WeakPolarHBondContact O-CG 3.46Å; V594-K598 PolarHBondContact O-N 3.34Å; R595-K598 PolarHBondContact O-N 3.02Å; Q596-K598 PolarHBondContact O-N 3.31Å; K598-E601 PolarHBondContact O-N 3.47Å; K598-Q602 WeakPolarHBondContact O-CB 3.49Å; K598-Q602 VanDerWaalsContact O-CG 3.22Å; K598-Q602 WeakPolarHBondContact O-CG 3.39Å; K598-Q602 PolarHBondContact O-N 2.81Å; K598-E657 WeakPolarHBondContact CE-OE1 3.44Å; K598-E657 WeakPolarHBondContact CE-OE2 3.3Å; K598-E657 IonicContact NZ-OE1 2.77Å; K598-E657 PolarHBondContact NZ-OE1 2.77Å; K598-E657 IonicContact NZ-OE2 2.89Å
599	R	87.1	Confident	90	Very high	93 Å²	93	75.4 Å²	75.4	35%	0.351	36%	0.361	S	S	.	.	H	α-helix	trans	-63.3	-45.7	175.2	-69.9	172.3	-173.9	164.8	2	112.2	E45 R595 Q596 K597 E601 Q602 D603	E45-R599 WeakPolarHBondContact OE2-CG 3.47Å; E45-R599 IonicContact OE2-CZ 2.74Å; E45-R599 IonicContact OE2-NE 2.68Å; E45-R599 PolarHBondContact OE2-NE 3.3Å; E45-R599 IonicContact OE2-NH2 3.1Å; R595-R599 WeakPolarHBondContact O-CG 3.13Å; R595-R599 PolarHBondContact O-N 3.31Å; R595-R599 VanDerWaalsContact O-N 3.11Å; Q596-R599 WeakPolarHBondContact O-CB 3.29Å; Q596-R599 PolarHBondContact O-N 2.97Å; K597-R599 VanDerWaalsContact C-N 3.27Å; K597-R599 PolarHBondContact O-N 3.29Å; R599-E601 VanDerWaalsContact C-N 3.34Å; R599-Q602 PolarHBondContact O-N 3Å; R599-D603 PolarHBondContact O-N 3.41Å; R599-D603 VanDerWaalsContact O-N 3.11Å
600	L	90.4	Very high	90	Very high	40 Å²	40	73.6 Å²	73.6	21%	0.209	36%	0.359	C	S	.	.	H	α-helix	trans	-62.7	-42.4	177.5	-68.7	170.9	0	0	0	111.3	Q596 K597 Q602 D603 L611 A614 L615 L618	Q596-L600 WeakPolarHBondContact O-CG 3.37Å; Q596-L600 PolarHBondContact O-N 3.22Å; Q596-L600 VanDerWaalsContact O-N 3.08Å; K597-L600 PolarHBondContact O-N 2.88Å; K597-L600 VanDerWaalsContact O-N 3.13Å; L600-Q602 VanDerWaalsContact C-N 3.29Å; L600-Q602 PolarHBondContact O-N 2.8Å; L600-D603 PolarHBondContact O-N 3.4Å; L600-L611 HydrophobicContact CB-CD1 3.75Å; L600-L611 WeakPolarHBondContact O-CD1 3.42Å; L600-A614 HydrophobicContact CD1-CB 3.93Å; L600-A614 HydrophobicContact CD2-CB 4.16Å; L600-L615 HydrophobicContact CB-CD2 4.32Å; L600-L615 HydrophobicContact CD1-CD2 4.09Å; L600-L618 HydrophobicContact CD1-CD1 4.22Å; L600-L618 HydrophobicContact CD1-CD2 4.13Å; L600-L618 HydrophobicContact CD1-CG 4.31Å
601	E	90.1	Very high	89.7	Confident	96 Å²	96	75.2 Å²	75.2	45%	0.449	37%	0.367	S	S	.	.	H	α-helix	trans	-66.2	-29.3	178	-70.9	174.4	160.2	0	0	113.1	K597 K598 R599 L611	K597-E601 WeakPolarHBondContact CE-OE1 3.33Å; K597-E601 HydrophobicContact CG-CG 4.4Å; K597-E601 WeakPolarHBondContact O-CG 3.49Å; K597-E601 PolarHBondContact O-N 2.98Å; K598-E601 PolarHBondContact O-N 3.47Å; R599-E601 VanDerWaalsContact C-N 3.34Å; E601-L611 HydrophobicContact CG-CD1 4.48Å
602	Q	87.8	Confident	89.6	Confident	128 Å²	128	78.1 Å²	78.1	60%	0.598	38%	0.381	S	S	*	.	H	α-helix	trans	-82.9	-17.2	176.4	-71.4	175.3	19.9	0	0	113.5	K598 R599 L600 K604	K598-Q602 WeakPolarHBondContact O-CB 3.49Å; K598-Q602 VanDerWaalsContact O-CG 3.22Å; K598-Q602 WeakPolarHBondContact O-CG 3.39Å; K598-Q602 PolarHBondContact O-N 2.81Å; R599-Q602 PolarHBondContact O-N 3Å; L600-Q602 VanDerWaalsContact C-N 3.29Å; L600-Q602 PolarHBondContact O-N 2.8Å; Q602-K604 PolarHBondContact O-N 2.93Å
603	D	86.4	Confident	89.5	Confident	62 Å²	62	83.4 Å²	83.4	33%	0.332	40%	0.398	S	S	.	.			trans	-72.1	96.6	177.8	-177.3	4.1	0	0	0	111	R599 L600 S605 Q606	R599-D603 PolarHBondContact O-N 3.41Å; R599-D603 VanDerWaalsContact O-N 3.11Å; L600-D603 PolarHBondContact O-N 3.4Å; D603-S605 VanDerWaalsContact CG-OG 3.22Å; D603-S605 PolarHBondContact O-N 3.29Å; D603-S605 VanDerWaalsContact OD1-CB 3.28Å; D603-S605 WeakPolarHBondContact OD1-CB 3.42Å; D603-S605 PolarHBondContact OD1-N 2.87Å; D603-S605 PolarHBondContact OD1-OG 2.81Å; D603-S605 PolarHBondContact OD2-OG 3.47Å; D603-Q606 HydrophobicContact CB-CG 4.04Å; D603-Q606 PolarHBondContact O-N 3.28Å; D603-Q606 PolarHBondContact OD2-NE2 2.7Å
604	K	86.2	Confident	89.3	Confident	209 Å²	209	84 Å²	84	91%	0.909	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-8.5	179.2	-64.5	-178.3	-178.3	177.1	0	114.1	Q602 Q606	Q602-K604 PolarHBondContact O-N 2.93Å; K604-Q606 VanDerWaalsContact C-N 3.35Å
605	S	89.3	Confident	89.2	Confident	97 Å²	97	84 Å²	84	68%	0.678	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-14.5	177.5	75.4	0	0	0	0	113.5	D603	D603-S605 VanDerWaalsContact CG-OG 3.22Å; D603-S605 PolarHBondContact O-N 3.29Å; D603-S605 VanDerWaalsContact OD1-CB 3.28Å; D603-S605 WeakPolarHBondContact OD1-CB 3.42Å; D603-S605 PolarHBondContact OD1-N 2.87Å; D603-S605 PolarHBondContact OD1-OG 2.81Å; D603-S605 PolarHBondContact OD2-OG 3.47Å
606	Q	84.6	Confident	89.1	Confident	62 Å²	62	87.1 Å²	87.1	29%	0.29	42%	0.42	S	S	.	.			trans	-78.5	139.2	-178.7	-61.9	-69.6	-20.7	0	0	112.3	D603 K604 S610 L611	D603-Q606 HydrophobicContact CB-CG 4.04Å; D603-Q606 PolarHBondContact O-N 3.28Å; D603-Q606 PolarHBondContact OD2-NE2 2.7Å; K604-Q606 VanDerWaalsContact C-N 3.35Å; Q606-S610 PolarHBondContact OE1-OG 2.96Å; Q606-L611 HydrophobicContact CB-CB 4.21Å
607	T	90.6	Very high	89.1	Confident	82 Å²	82	87.4 Å²	87.4	50%	0.503	43%	0.426	S	S	.	.			trans	-76.4	164.2	162.3	72.5	0	0	0	0	110.2	E609 S610 L611	T607-E609 VanDerWaalsContact C-N 3.27Å; T607-E609 WeakPolarHBondContact CB-OE2 3.23Å; T607-E609 PolarHBondContact O-N 2.83Å; T607-E609 PolarHBondContact OG1-OE2 2.76Å; T607-S610 PolarHBondContact O-N 3.14Å; T607-S610 WeakPolarHBondContact OG1-CB 3.31Å; T607-S610 PolarHBondContact OG1-N 3.35Å; T607-L611 WeakPolarHBondContact O-CB 3.33Å; T607-L611 PolarHBondContact O-N 2.93Å
608	K	88.4	Confident	89	Confident	178 Å²	178	87.4 Å²	87.4	77%	0.774	43%	0.427	S	S	*	.	H	α-helix	trans	-58.9	-40.1	178	-72.7	-174.8	176.7	-177.7	0	112.1	Q612	K608-Q612 WeakPolarHBondContact O-CB 3.24Å; K608-Q612 PolarHBondContact O-N 3.05Å
609	E	89.3	Confident	89	Confident	136 Å²	136	87.4 Å²	87.4	64%	0.636	43%	0.432	S	S	*	.	H	α-helix	trans	-71.3	-42.4	-178.7	-57.4	72.6	-157.1	0	0	111.3	T607 Q612 Y613	T607-E609 VanDerWaalsContact C-N 3.27Å; T607-E609 WeakPolarHBondContact CB-OE2 3.23Å; T607-E609 PolarHBondContact O-N 2.83Å; T607-E609 PolarHBondContact OG1-OE2 2.76Å; E609-Q612 PolarHBondContact O-N 3Å; E609-Y613 PolarHBondContact O-N 2.71Å
610	S	90.8	Very high	89	Confident	53 Å²	53	84.9 Å²	84.9	37%	0.371	43%	0.425	S	S	.	.	H	α-helix	trans	-64.6	-42.2	176.1	-174.3	0	0	0	0	111.4	Q606 T607 Y613 A614	Q606-S610 PolarHBondContact OE1-OG 2.96Å; T607-S610 PolarHBondContact O-N 3.14Å; T607-S610 WeakPolarHBondContact OG1-CB 3.31Å; T607-S610 PolarHBondContact OG1-N 3.35Å; S610-Y613 PolarHBondContact O-N 3.13Å; S610-A614 VanDerWaalsContact O-CB 3.31Å; S610-A614 WeakPolarHBondContact O-CB 3.34Å; S610-A614 PolarHBondContact O-N 2.63Å
611	L	90.1	Very high	88.7	Confident	40 Å²	40	89.5 Å²	89.5	21%	0.209	45%	0.449	C	S	.	.	H	α-helix	trans	-61.4	-47.1	174.8	177.7	59.9	0	0	0	111.1	L600 E601 Q606 T607 Y613 A614 L615	L600-L611 HydrophobicContact CB-CD1 3.75Å; L600-L611 WeakPolarHBondContact O-CD1 3.42Å; E601-L611 HydrophobicContact CG-CD1 4.48Å; Q606-L611 HydrophobicContact CB-CB 4.21Å; T607-L611 WeakPolarHBondContact O-CB 3.33Å; T607-L611 PolarHBondContact O-N 2.93Å; L611-Y613 PolarHBondContact O-N 3.43Å; L611-A614 PolarHBondContact O-N 3.45Å; L611-L615 HydrophobicContact CD1-CD1 4.25Å; L611-L615 HydrophobicContact CD1-CD2 4.48Å; L611-L615 HydrophobicContact CD1-CG 4.1Å; L611-L615 HydrophobicContact CG-CD1 4.19Å; L611-L615 HydrophobicContact CG-CG 4.43Å; L611-L615 VanDerWaalsContact O-CG 3.28Å; L611-L615 WeakPolarHBondContact O-CG 3.21Å; L611-L615 PolarHBondContact O-N 2.83Å
612	Q	89.3	Confident	88.5	Confident	109 Å²	109	87.9 Å²	87.9	51%	0.509	46%	0.459	S	S	.	.	H	α-helix	trans	-60.2	-47.3	179.2	-177.9	166.6	-5	0	0	111.7	K608 E609 A614 L615 E616	K608-Q612 WeakPolarHBondContact O-CB 3.24Å; K608-Q612 PolarHBondContact O-N 3.05Å; E609-Q612 PolarHBondContact O-N 3Å; Q612-A614 PolarHBondContact O-N 2.99Å; Q612-L615 PolarHBondContact O-N 3.4Å; Q612-E616 WeakPolarHBondContact CG-OE1 3.41Å; Q612-E616 PolarHBondContact NE2-OE1 2.86Å; Q612-E616 VanDerWaalsContact NE2-OE1 3.09Å; Q612-E616 WeakPolarHBondContact O-CG 3.43Å; Q612-E616 PolarHBondContact O-N 2.98Å
613	Y	90	Very high	88.6	Confident	165 Å²	165	84.7 Å²	84.7	65%	0.647	45%	0.45	S	S	*	.	H	α-helix	trans	-59.6	-45.4	174.8	-180	-97.7	0	0	0	111.9	E609 S610 L611 L615 E616 T617	E609-Y613 PolarHBondContact O-N 2.71Å; S610-Y613 PolarHBondContact O-N 3.13Å; L611-Y613 PolarHBondContact O-N 3.43Å; Y613-L615 VanDerWaalsContact C-N 3.33Å; Y613-L615 PolarHBondContact O-N 3.37Å; Y613-E616 PolarHBondContact O-N 3.38Å; Y613-T617 HydrophobicContact CD1-CG2 4.21Å; Y613-T617 HydrophobicContact CE1-CG2 3.8Å; Y613-T617 HydrophobicContact CE2-CG2 4.29Å; Y613-T617 WeakPolarHBondContact O-CG2 3.44Å; Y613-T617 PolarHBondContact O-N 3.31Å; Y613-T617 PolarHBondContact O-OG1 3.18Å
614	A	89.3	Confident	88.9	Confident	16 Å²	16	82.8 Å²	82.8	13%	0.132	44%	0.441	C	S	.	.	H	α-helix	trans	-61	-40.9	179.1	0	0	0	0	0	112.2	L600 S610 L611 Q612 T617 L618	L600-A614 HydrophobicContact CD1-CB 3.93Å; L600-A614 HydrophobicContact CD2-CB 4.16Å; S610-A614 VanDerWaalsContact O-CB 3.31Å; S610-A614 WeakPolarHBondContact O-CB 3.34Å; S610-A614 PolarHBondContact O-N 2.63Å; L611-A614 PolarHBondContact O-N 3.45Å; Q612-A614 PolarHBondContact O-N 2.99Å; A614-T617 WeakPolarHBondContact CA-OG1 3.37Å; A614-T617 PolarHBondContact O-N 2.67Å; A614-T617 PolarHBondContact O-OG1 2.85Å; A614-L618 PolarHBondContact O-N 3.19Å
615	L	90.4	Very high	89.2	Confident	11 Å²	11	72.9 Å²	72.9	6%	0.058	40%	0.398	C	S	.	.	H	α-helix	trans	-64	-42.8	175.8	-69.2	178.8	0	0	0	112.2	K597 L600 L611 Q612 Y613 T617 L618	K597-L615 HydrophobicContact CB-CD2 3.95Å; K597-L615 HydrophobicContact CD-CD2 4.46Å; K597-L615 HydrophobicContact CG-CD2 3.66Å; L600-L615 HydrophobicContact CB-CD2 4.32Å; L600-L615 HydrophobicContact CD1-CD2 4.09Å; L611-L615 HydrophobicContact CD1-CD1 4.25Å; L611-L615 HydrophobicContact CD1-CD2 4.48Å; L611-L615 HydrophobicContact CD1-CG 4.1Å; L611-L615 HydrophobicContact CG-CD1 4.19Å; L611-L615 HydrophobicContact CG-CG 4.43Å; L611-L615 VanDerWaalsContact O-CG 3.28Å; L611-L615 WeakPolarHBondContact O-CG 3.21Å; L611-L615 PolarHBondContact O-N 2.83Å; Q612-L615 PolarHBondContact O-N 3.4Å; Y613-L615 VanDerWaalsContact C-N 3.33Å; Y613-L615 PolarHBondContact O-N 3.37Å; L615-T617 PolarHBondContact O-N 2.94Å; L615-L618 HydrophobicContact CD2-CD1 4.06Å; L615-L618 WeakPolarHBondContact O-CB 3.38Å; L615-L618 PolarHBondContact O-N 3.2Å
616	E	87.4	Confident	89.4	Confident	106 Å²	106	72.1 Å²	72.1	50%	0.495	38%	0.384	S	S	.	.	H	α-helix	trans	-67.5	-22.6	177.9	-70.8	172.4	-167.6	0	0	112.5	Q612 Y613	Q612-E616 WeakPolarHBondContact CG-OE1 3.41Å; Q612-E616 PolarHBondContact NE2-OE1 2.86Å; Q612-E616 VanDerWaalsContact NE2-OE1 3.09Å; Q612-E616 WeakPolarHBondContact O-CG 3.43Å; Q612-E616 PolarHBondContact O-N 2.98Å; Y613-E616 PolarHBondContact O-N 3.38Å
617	T	89.9	Confident	89.9	Confident	72 Å²	72	75.2 Å²	75.2	44%	0.442	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-5.3	175.2	60.5	0	0	0	0	114.8	Y613 A614 L615 T619	Y613-T617 HydrophobicContact CD1-CG2 4.21Å; Y613-T617 HydrophobicContact CE1-CG2 3.8Å; Y613-T617 HydrophobicContact CE2-CG2 4.29Å; Y613-T617 WeakPolarHBondContact O-CG2 3.44Å; Y613-T617 PolarHBondContact O-N 3.31Å; Y613-T617 PolarHBondContact O-OG1 3.18Å; A614-T617 WeakPolarHBondContact CA-OG1 3.37Å; A614-T617 PolarHBondContact O-N 2.67Å; A614-T617 PolarHBondContact O-OG1 2.85Å; L615-T617 PolarHBondContact O-N 2.94Å; T617-T619 PolarHBondContact O-N 2.75Å
618	L	91.6	Very high	90	Very high	16 Å²	16	73.6 Å²	73.6	8%	0.084	39%	0.39	C	S	.	.			trans	-67.1	125.3	175.5	-67.5	176	0	0	0	109.8	I593 Q596 K597 L600 A614 L615 I653	I593-L618 HydrophobicContact CG2-CB 4.08Å; I593-L618 HydrophobicContact CG2-CD1 4.22Å; Q596-L618 HydrophobicContact CB-CD2 3.83Å; Q596-L618 VanDerWaalsContact OE1-CD2 3.31Å; K597-L618 HydrophobicContact CB-CD1 3.85Å; L600-L618 HydrophobicContact CD1-CD1 4.22Å; L600-L618 HydrophobicContact CD1-CD2 4.13Å; L600-L618 HydrophobicContact CD1-CG 4.31Å; A614-L618 PolarHBondContact O-N 3.19Å; L615-L618 HydrophobicContact CD2-CD1 4.06Å; L615-L618 WeakPolarHBondContact O-CB 3.38Å; L615-L618 PolarHBondContact O-N 3.2Å; L618-I653 HydrophobicContact CB-CD1 4.45Å; L618-I653 HydrophobicContact CD1-CD1 3.94Å; L618-I653 HydrophobicContact CD1-CG1 4.39Å
619	T	89.5	Confident	90.3	Very high	65 Å²	65	68.2 Å²	68.2	40%	0.399	39%	0.386	S	S	.	.			trans	-130.1	147.3	-175.9	56.9	0	0	0	0	112.4	T617 C623	T617-T619 PolarHBondContact O-N 2.75Å; T619-C623 CarbonylContact C-O 3.46Å; T619-C623 WeakPolarHBondContact CA-O 3.47Å; T619-C623 VanDerWaalsContact CB-O 3.26Å; T619-C623 WeakPolarHBondContact CB-O 3.47Å
620	M	86.8	Confident	90.6	Very high	39 Å²	39	64.1 Å²	64.1	19%	0.192	37%	0.368	C	S	.	.	B	Isolated β-bridge	trans	-93.5	106.9	165.6	-164.7	177.5	71.5	0	0	108.5	H589 L590 I593 G622 C623 L628	H589-M620 HydrophobicContact CB-CG 4Å; H589-M620 HydrophobicContact CB-SD 3.76Å; L590-M620 HydrophobicContact CD2-SD 3.87Å; L590-M620 HydrophobicContact CG-SD 4.17Å; I593-M620 HydrophobicContact CD1-CB 3.71Å; I593-M620 HydrophobicContact CD1-CG 4.33Å; M620-G622 PolarHBondContact O-N 3.33Å; M620-G622 VanDerWaalsContact O-N 3.16Å; M620-C623 PolarHBondContact N-O 3.42Å; M620-C623 PolarHBondContact O-N 3.08Å; M620-L628 HydrophobicContact CE-CD1 3.72Å; M620-L628 HydrophobicContact CE-CD2 3.5Å; M620-L628 HydrophobicContact CE-CG 4.26Å; M620-L628 HydrophobicContact SD-CD1 4.27Å
621	N	84.6	Confident	91	Very high	137 Å²	137	63.7 Å²	63.7	73%	0.733	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.5	38.1	-178.9	-58.9	-27.8	0	0	0	113.4
622	G	86.2	Confident	91.4	Very high	62 Å²	62	61.8 Å²	61.8	64%	0.639	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.9	-0.3	-179.8	0	0	0	0	0	115.9	M620	M620-G622 PolarHBondContact O-N 3.33Å; M620-G622 VanDerWaalsContact O-N 3.16Å
623	C	90.3	Very high	91.8	Very high	61 Å²	61	57.4 Å²	57.4	41%	0.412	33%	0.332	S	S	.	.	B	Isolated β-bridge	trans	-102.7	138.7	172.9	-60.6	0	0	0	0	110.8	T619 M620 L628	T619-C623 CarbonylContact C-O 3.46Å; T619-C623 WeakPolarHBondContact CA-O 3.47Å; T619-C623 VanDerWaalsContact CB-O 3.26Å; T619-C623 WeakPolarHBondContact CB-O 3.47Å; M620-C623 PolarHBondContact N-O 3.42Å; M620-C623 PolarHBondContact O-N 3.08Å; C623-L628 HydrophobicContact CB-CD2 4.14Å
624	S	92.4	Very high	92.1	Very high	22 Å²	22	49.7 Å²	49.7	15%	0.154	30%	0.302	C	S	.	.			trans	-66.2	162.7	172.2	73.7	0	0	0	0	110.8	E626 D627 L628	S624-E626 VanDerWaalsContact C-N 3.27Å; S624-E626 PolarHBondContact O-N 3.37Å; S624-D627 WeakPolarHBondContact CB-OD2 3.4Å; S624-D627 PolarHBondContact O-N 3.43Å; S624-D627 WeakPolarHBondContact OG-CB 3.39Å; S624-D627 PolarHBondContact OG-N 2.91Å; S624-D627 VanDerWaalsContact OG-N 3.12Å; S624-D627 PolarHBondContact OG-OD2 3.35Å; S624-L628 WeakPolarHBondContact O-CG 3.43Å
625	V	93.3	Very high	92.4	Very high	1 Å²	1	50.6 Å²	50.6	1%	0.006	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-38.3	178.5	175.7	0	0	0	0	110.7	I593 L628 V651 I653 L656	I593-V625 HydrophobicContact CD1-CG2 4.31Å; I593-V625 HydrophobicContact CG2-CG2 4.3Å; V625-L628 WeakPolarHBondContact O-CB 3.48Å; V625-L628 PolarHBondContact O-N 2.81Å; V625-V651 HydrophobicContact CG1-CG1 4Å; V625-I653 HydrophobicContact CG2-CD1 4.26Å; V625-L656 HydrophobicContact CG1-CD1 4.22Å; V625-L656 HydrophobicContact CG1-CD2 4.49Å; V625-L656 HydrophobicContact CG2-CD2 4.15Å
626	E	93.6	Very high	92.5	Very high	81 Å²	81	53.5 Å²	53.5	38%	0.379	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-66.6	-39.1	179.9	-65.1	73.6	-164.5	0	0	111.7	S624 L628 G629 T652 I653	S624-E626 VanDerWaalsContact C-N 3.27Å; S624-E626 PolarHBondContact O-N 3.37Å; E626-L628 PolarHBondContact O-N 2.94Å; E626-G629 PolarHBondContact O-N 3.29Å; E626-G629 VanDerWaalsContact O-N 3.13Å; E626-T652 HydrophobicContact CG-CG2 4.11Å; E626-T652 VanDerWaalsContact OE1-CA 3.23Å; E626-T652 WeakPolarHBondContact OE1-CA 3.29Å; E626-T652 VanDerWaalsContact OE1-CB 3.22Å; E626-T652 WeakPolarHBondContact OE1-CB 3.31Å; E626-I653 PolarHBondContact OE1-N 3.41Å
627	D	93.8	Very high	92.9	Very high	128 Å²	128	50.9 Å²	50.9	68%	0.684	33%	0.326	S	S	*	.	G	3₁₀ helix	trans	-68.9	-14.7	178.8	-66.7	-38.1	0	0	0	113.2	S624 G629	S624-D627 WeakPolarHBondContact CB-OD2 3.4Å; S624-D627 PolarHBondContact O-N 3.43Å; S624-D627 WeakPolarHBondContact OG-CB 3.39Å; S624-D627 PolarHBondContact OG-N 2.91Å; S624-D627 VanDerWaalsContact OG-N 3.12Å; S624-D627 PolarHBondContact OG-OD2 3.35Å; D627-G629 PolarHBondContact O-N 3.22Å
628	L	92.9	Very high	93	Very high	47 Å²	47	51.3 Å²	51.3	25%	0.246	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-68.2	-16.6	173.1	-56.5	177.9	0	0	0	112.4	L590 M620 C623 S624 V625 E626 L630	L590-L628 HydrophobicContact CD2-CD1 3.86Å; M620-L628 HydrophobicContact CE-CD1 3.72Å; M620-L628 HydrophobicContact CE-CD2 3.5Å; M620-L628 HydrophobicContact CE-CG 4.26Å; M620-L628 HydrophobicContact SD-CD1 4.27Å; C623-L628 HydrophobicContact CB-CD2 4.14Å; S624-L628 WeakPolarHBondContact O-CG 3.43Å; V625-L628 WeakPolarHBondContact O-CB 3.48Å; V625-L628 PolarHBondContact O-N 2.81Å; E626-L628 PolarHBondContact O-N 2.94Å; L628-L630 HydrophobicContact CB-CD1 4.1Å; L628-L630 HydrophobicContact CB-CG 3.86Å; L628-L630 HydrophobicContact CD1-CD1 4.03Å; L628-L630 PolarHBondContact O-N 3.31Å
629	G	94.3	Very high	93.1	Very high	65 Å²	65	57 Å²	57	67%	0.67	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.4	29.4	178.2	0	0	0	0	0	113.6	E626 D627	E626-G629 PolarHBondContact O-N 3.29Å; E626-G629 VanDerWaalsContact O-N 3.13Å; D627-G629 PolarHBondContact O-N 3.22Å
630	L	97	Very high	93.4	Very high	51 Å²	51	54.3 Å²	54.3	27%	0.267	34%	0.344	S	S	.	.			trans	-79.7	146.5	178.5	-60.3	174.5	0	0	0	110.6	L590 L628 V651 Y659	L590-L630 HydrophobicContact CD1-CD1 4.1Å; L628-L630 HydrophobicContact CB-CD1 4.1Å; L628-L630 HydrophobicContact CB-CG 3.86Å; L628-L630 HydrophobicContact CD1-CD1 4.03Å; L628-L630 PolarHBondContact O-N 3.31Å; L630-V651 HydrophobicContact CB-CB 3.89Å; L630-V651 HydrophobicContact CB-CG2 3.8Å; L630-V651 PolarHBondContact O-N 3.42Å; L630-Y659 HydrophobicContact CD1-CE1 4.12Å
631	D	97.9	Very high	94	Very high	43 Å²	43	55.2 Å²	55.2	23%	0.23	35%	0.348	C	S	.	.	B	Isolated β-bridge	trans	-126.6	177.3	171.8	62.1	25.1	0	0	0	110.1	T633 I649 Y659	D631-T633 PolarHBondContact O-N 2.7Å; D631-T633 VanDerWaalsContact OD1-CB 3.26Å; D631-T633 WeakPolarHBondContact OD1-CB 3.3Å; D631-T633 VanDerWaalsContact OD1-CG2 3.28Å; D631-T633 WeakPolarHBondContact OD1-CG2 3.48Å; D631-T633 PolarHBondContact OD1-N 2.92Å; D631-T633 VanDerWaalsContact OD1-N 3.09Å; D631-T633 PolarHBondContact OD1-OG1 2.95Å; D631-I649 WeakPolarHBondContact CA-O 3.47Å; D631-Y659 WeakPolarHBondContact O-CE2 3.42Å
632	F	98.3	Very high	94.6	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	31%	0.313	C	S	.	.	S	Bend	trans	-81.4	52	176.7	-74.8	-107.3	0	0	0	111.8	L642 K643 G646 I649 V651 N655 E658 Y659 L662	F632-L642 HydrophobicContact CB-CB 4.38Å; F632-L642 WeakPolarHBondContact O-CB 3.26Å; F632-L642 WeakPolarHBondContact O-CG 3.27Å; F632-L642 PolarHBondContact O-N 2.87Å; F632-K643 HydrophobicContact CB-CG 4.31Å; F632-K643 HydrophobicContact CD1-CD 4.07Å; F632-K643 HydrophobicContact CD1-CG 4.25Å; F632-K643 HydrophobicContact CE1-CD 4.39Å; F632-K643 HydrophobicContact CG-CG 4.45Å; F632-G646 WeakPolarHBondContact CA-O 3.49Å; F632-G646 WeakPolarHBondContact CB-O 3.27Å; F632-G646 PolarHBondContact N-O 2.91Å; F632-I649 HydrophobicContact CD2-CB 3.88Å; F632-I649 HydrophobicContact CD2-CG2 3.61Å; F632-I649 WeakPolarHBondContact CD2-O 3.11Å; F632-I649 HydrophobicContact CE2-CB 4.42Å; F632-I649 HydrophobicContact CE2-CG2 3.64Å; F632-I649 PolarHBondContact N-O 3.16Å; F632-V651 HydrophobicContact CD2-CG2 4.2Å; F632-V651 HydrophobicContact CE2-CG2 4.12Å; F632-N655 HydrophobicContact CZ-CB 4.08Å; F632-E658 HydrophobicContact CE1-CB 4.27Å; F632-E658 HydrophobicContact CE1-CG 4.09Å; F632-E658 HydrophobicContact CZ-CB 4.48Å; F632-Y659 HydrophobicContact CD1-CD2 4.47Å; F632-L662 HydrophobicContact CD1-CD1 3.66Å; F632-L662 HydrophobicContact CE1-CD1 3.8Å
633	T	98.1	Very high	95.1	Very high	17 Å²	17	47 Å²	47	10%	0.104	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	155.7	165	67.1	0	0	0	0	111.4	D631 P635 I640 E641 K647	D631-T633 PolarHBondContact O-N 2.7Å; D631-T633 VanDerWaalsContact OD1-CB 3.26Å; D631-T633 WeakPolarHBondContact OD1-CB 3.3Å; D631-T633 VanDerWaalsContact OD1-CG2 3.28Å; D631-T633 WeakPolarHBondContact OD1-CG2 3.48Å; D631-T633 PolarHBondContact OD1-N 2.92Å; D631-T633 VanDerWaalsContact OD1-N 3.09Å; D631-T633 PolarHBondContact OD1-OG1 2.95Å; T633-P635 WeakPolarHBondContact O-CD 3.45Å; T633-I640 CarbonylContact C-O 3.24Å; T633-I640 VanDerWaalsContact CA-O 3.31Å; T633-I640 WeakPolarHBondContact CA-O 3.36Å; T633-E641 HydrophobicContact CG2-CG 4.34Å; T633-K647 HydrophobicContact CG2-CB 3.89Å; T633-K647 HydrophobicContact CG2-CG 4.18Å
634	L	97.2	Very high	95.4	Very high	3 Å²	3	50.4 Å²	50.4	2%	0.016	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	125.7	179.6	-176	68.5	0	0	0	110.1	P518 G636 F637 I640 L642 V663 W666 A667	P518-L634 HydrophobicContact CB-CD2 4.14Å; P518-L634 HydrophobicContact CG-CD2 3.78Å; L634-G636 PolarHBondContact O-N 2.79Å; L634-F637 HydrophobicContact CB-CB 4.21Å; L634-F637 HydrophobicContact CD2-CB 4.2Å; L634-F637 HydrophobicContact CD2-CD2 3.67Å; L634-F637 HydrophobicContact CD2-CE2 4.46Å; L634-F637 HydrophobicContact CD2-CG 4.18Å; L634-F637 HydrophobicContact CG-CB 4.41Å; L634-F637 HydrophobicContact CG-CD2 4.03Å; L634-F637 CarbonylContact O-C 3.58Å; L634-F637 VanDerWaalsContact O-C 3.24Å; L634-F637 WeakPolarHBondContact O-CA 3.4Å; L634-F637 PolarHBondContact O-N 3.4Å; L634-I640 HydrophobicContact CB-CB 4.01Å; L634-I640 HydrophobicContact CB-CG2 4.04Å; L634-I640 HydrophobicContact CD2-CD1 4.16Å; L634-I640 HydrophobicContact CD2-CG2 4.32Å; L634-I640 PolarHBondContact N-O 3.32Å; L634-L642 HydrophobicContact CB-CD2 3.9Å; L634-L642 HydrophobicContact CD1-CD2 4.15Å; L634-V663 HydrophobicContact CD1-CG1 4.44Å; L634-W666 HydrophobicContact CD1-CB 4.14Å; L634-A667 HydrophobicContact CD1-CB 4.08Å
635	P	95.6	Very high	95.6	Very high	35 Å²	35	50.6 Å²	50.6	23%	0.227	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.2	131.5	177.2	-29.9	36.9	0	0	0	112.7	V583 T633 F637 V663	V583-P635 HydrophobicContact CG1-CB 3.92Å; V583-P635 HydrophobicContact CG1-CG 4.21Å; V583-P635 HydrophobicContact CG2-CB 4.01Å; T633-P635 WeakPolarHBondContact O-CD 3.45Å; P635-F637 WeakPolarHBondContact O-CD2 3.08Å; P635-F637 PolarHBondContact O-N 2.91Å; P635-V663 HydrophobicContact CG-CG1 4.15Å; P635-V663 HydrophobicContact CG-CG2 4.3Å
636	G	92.3	Very high	95.7	Very high	72 Å²	72	50.5 Å²	50.5	74%	0.742	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.3	-8.9	-173.6	0	0	0	0	0	114.9	L634	L634-G636 PolarHBondContact O-N 2.79Å
637	F	94.6	Very high	95.9	Very high	51 Å²	51	52.4 Å²	52.4	22%	0.224	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	72.1	-177	-56.4	-85	0	0	0	111.4	R489 L517 P518 L634 P635 N639 I640	R489-F637 HydrophobicContact CG-CZ 4.4Å; L517-F637 HydrophobicContact CD1-CE1 3.73Å; L517-F637 HydrophobicContact CD1-CZ 3.99Å; L517-F637 HydrophobicContact CG-CE1 4.37Å; P518-F637 HydrophobicContact CG-CD1 4.15Å; P518-F637 HydrophobicContact CG-CD2 3.99Å; P518-F637 HydrophobicContact CG-CE1 4.04Å; P518-F637 HydrophobicContact CG-CE2 3.89Å; P518-F637 HydrophobicContact CG-CG 4.13Å; P518-F637 HydrophobicContact CG-CZ 3.92Å; L634-F637 HydrophobicContact CB-CB 4.21Å; L634-F637 HydrophobicContact CD2-CB 4.2Å; L634-F637 HydrophobicContact CD2-CD2 3.67Å; L634-F637 HydrophobicContact CD2-CE2 4.46Å; L634-F637 HydrophobicContact CD2-CG 4.18Å; L634-F637 HydrophobicContact CG-CB 4.41Å; L634-F637 HydrophobicContact CG-CD2 4.03Å; L634-F637 CarbonylContact O-C 3.58Å; L634-F637 VanDerWaalsContact O-C 3.24Å; L634-F637 WeakPolarHBondContact O-CA 3.4Å; L634-F637 PolarHBondContact O-N 3.4Å; P635-F637 WeakPolarHBondContact O-CD2 3.08Å; P635-F637 PolarHBondContact O-N 2.91Å; F637-N639 PolarHBondContact O-N 2.88Å; F637-I640 HydrophobicContact CB-CB 4.19Å; F637-I640 HydrophobicContact CB-CD1 3.71Å; F637-I640 HydrophobicContact CB-CG1 3.89Å; F637-I640 HydrophobicContact CD1-CD1 4.32Å; F637-I640 HydrophobicContact CG-CD1 4.08Å; F637-I640 PolarHBondContact O-N 2.91Å
638	P	92.7	Very high	96.1	Very high	82 Å²	82	52.9 Å²	52.9	53%	0.532	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	-12.5	-174.1	26.8	-36.5	0	0	0	114.4	I640	P638-I640 VanDerWaalsContact C-N 3.34Å
639	N	93.4	Very high	96.3	Very high	134 Å²	134	53.1 Å²	53.1	72%	0.717	31%	0.311	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.9	-4.8	175.6	-61.9	-42.1	0	0	0	113.2	F637	F637-N639 PolarHBondContact O-N 2.88Å
640	I	97.1	Very high	96.5	Very high	10 Å²	10	54.1 Å²	54.1	5%	0.051	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	93.6	179.5	-56.4	-176.3	0	0	0	107.7	P518 T633 L634 F637 P638 W666	P518-I640 HydrophobicContact CB-CD1 4.07Å; P518-I640 HydrophobicContact CG-CD1 3.84Å; T633-I640 CarbonylContact C-O 3.24Å; T633-I640 VanDerWaalsContact CA-O 3.31Å; T633-I640 WeakPolarHBondContact CA-O 3.36Å; L634-I640 HydrophobicContact CB-CB 4.01Å; L634-I640 HydrophobicContact CB-CG2 4.04Å; L634-I640 HydrophobicContact CD2-CD1 4.16Å; L634-I640 HydrophobicContact CD2-CG2 4.32Å; L634-I640 PolarHBondContact N-O 3.32Å; F637-I640 HydrophobicContact CB-CB 4.19Å; F637-I640 HydrophobicContact CB-CD1 3.71Å; F637-I640 HydrophobicContact CB-CG1 3.89Å; F637-I640 HydrophobicContact CD1-CD1 4.32Å; F637-I640 HydrophobicContact CG-CD1 4.08Å; F637-I640 PolarHBondContact O-N 2.91Å; P638-I640 VanDerWaalsContact C-N 3.34Å; I640-W666 HydrophobicContact CG2-CE3 3.92Å; I640-W666 HydrophobicContact CG2-CZ3 4.17Å
641	E	97.9	Very high	96.5	Very high	57 Å²	57	51.9 Å²	51.9	27%	0.266	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	140.3	167.4	-70.7	179.7	-156	0	0	110.4	W276 T633 G645 G646 K647	W276-E641 HydrophobicContact CH2-CB 3.87Å; W276-E641 HydrophobicContact CZ3-CB 4.09Å; W276-E641 WeakPolarHBondContact CZ3-O 3.26Å; T633-E641 HydrophobicContact CG2-CG 4.34Å; E641-G645 WeakPolarHBondContact OE2-CA 3.02Å; E641-G645 PolarHBondContact OE2-N 3.49Å; E641-G646 PolarHBondContact OE2-N 2.8Å; E641-K647 HydrophobicContact CG-CB 4.17Å
642	L	97.9	Very high	96.4	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	29%	0.293	C	S	.	.	S	Bend	trans	-85.6	-26.3	-178.4	-57.9	176.7	0	0	0	112.7	F632 L634 Y659 L662 V663 W666	F632-L642 HydrophobicContact CB-CB 4.38Å; F632-L642 WeakPolarHBondContact O-CB 3.26Å; F632-L642 WeakPolarHBondContact O-CG 3.27Å; F632-L642 PolarHBondContact O-N 2.87Å; L634-L642 HydrophobicContact CB-CD2 3.9Å; L634-L642 HydrophobicContact CD1-CD2 4.15Å; L642-Y659 HydrophobicContact CD1-CD2 4.12Å; L642-Y659 HydrophobicContact CD1-CE2 4.15Å; L642-L662 HydrophobicContact CB-CB 4.01Å; L642-L662 HydrophobicContact CB-CD1 4.31Å; L642-L662 HydrophobicContact CD1-CB 4.01Å; L642-L662 HydrophobicContact CG-CB 4.49Å; L642-V663 HydrophobicContact CD1-CG2 3.63Å; L642-W666 HydrophobicContact CD2-CB 3.62Å; L642-W666 HydrophobicContact CD2-CD2 4.38Å; L642-W666 HydrophobicContact CD2-CG 3.56Å; L642-W666 PolarHBondContact O-NE1 3.44Å
643	K	97.1	Very high	96.3	Very high	27 Å²	27	51.6 Å²	51.6	12%	0.117	29%	0.294	C	S	.	.	S	Bend	trans	-146.5	166.4	171.7	64.8	-179.9	177.5	-176	0	109	F632 G645 G646 I649 E658 L662	F632-K643 HydrophobicContact CB-CG 4.31Å; F632-K643 HydrophobicContact CD1-CD 4.07Å; F632-K643 HydrophobicContact CD1-CG 4.25Å; F632-K643 HydrophobicContact CE1-CD 4.39Å; F632-K643 HydrophobicContact CG-CG 4.45Å; K643-G645 PolarHBondContact O-N 3.47Å; K643-G646 WeakPolarHBondContact O-CA 3.19Å; K643-G646 PolarHBondContact O-N 3.47Å; K643-I649 HydrophobicContact CD-CD1 4.45Å; K643-E658 WeakPolarHBondContact CD-OE1 3.47Å; K643-E658 IonicContact NZ-OE1 3.23Å; K643-E658 PolarHBondContact NZ-OE1 2.67Å; K643-E658 IonicContact NZ-OE2 2.73Å; K643-E658 PolarHBondContact NZ-OE2 3.33Å; K643-L662 HydrophobicContact CD-CD1 4.34Å
644	K	96.1	Very high	96.1	Very high	132 Å²	132	56.3 Å²	56.3	57%	0.574	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	121.2	-177	-173.6	-177.3	177.2	-173.3	0	111.6	W276	W276-K644 HydrophobicContact CD2-CB 4.27Å; W276-K644 HydrophobicContact CZ2-CB 4.05Å; W276-K644 HydrophobicContact CZ2-CG 4.36Å; W276-K644 WeakPolarHBondContact O-CB 3.37Å; W276-K644 PolarHBondContact O-N 3.31Å
645	G	95.9	Very high	96.1	Very high	26 Å²	26	57.6 Å²	57.6	27%	0.268	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.4	18	-178.4	0	0	0	0	0	112.7	E641 K643 K647 D648 I649	E641-G645 WeakPolarHBondContact OE2-CA 3.02Å; E641-G645 PolarHBondContact OE2-N 3.49Å; K643-G645 PolarHBondContact O-N 3.47Å; G645-K647 PolarHBondContact O-N 3.44Å; G645-D648 PolarHBondContact O-N 2.83Å; G645-I649 WeakPolarHBondContact O-CG1 3.32Å
646	G	96.9	Very high	96.1	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-60	-31.2	-170.7	0	0	0	0	0	113.9	F632 E641 K643 D648 I649	F632-G646 WeakPolarHBondContact CA-O 3.49Å; F632-G646 WeakPolarHBondContact CB-O 3.27Å; F632-G646 PolarHBondContact N-O 2.91Å; E641-G646 PolarHBondContact OE2-N 2.8Å; K643-G646 WeakPolarHBondContact O-CA 3.19Å; K643-G646 PolarHBondContact O-N 3.47Å; G646-D648 PolarHBondContact O-N 3.25Å; G646-I649 PolarHBondContact O-N 3.29Å; G646-I649 VanDerWaalsContact O-N 3.15Å
647	K	96.9	Very high	96.3	Very high	120 Å²	120	55.9 Å²	55.9	52%	0.522	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-61.6	-28.5	176.8	-173	-179.5	176.6	-176.4	0	113.5	T633 E641 G645	T633-K647 HydrophobicContact CG2-CB 3.89Å; T633-K647 HydrophobicContact CG2-CG 4.18Å; E641-K647 HydrophobicContact CG-CB 4.17Å; G645-K647 PolarHBondContact O-N 3.44Å
648	D	97.4	Very high	96.5	Very high	138 Å²	138	55.2 Å²	55.2	74%	0.738	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-95.3	3.3	-178.8	-56.7	-49.2	0	0	0	112.3	G645 G646	G645-D648 PolarHBondContact O-N 2.83Å; G646-D648 PolarHBondContact O-N 3.25Å
649	I	97.8	Very high	96.7	Very high	53 Å²	53	51.9 Å²	51.9	27%	0.272	27%	0.266	S	S	.	.	S	Bend	trans	-105.8	108.4	-178.3	-59.1	171.4	0	0	0	108.2	D631 F632 K643 G645 G646	D631-I649 WeakPolarHBondContact CA-O 3.47Å; F632-I649 HydrophobicContact CD2-CB 3.88Å; F632-I649 HydrophobicContact CD2-CG2 3.61Å; F632-I649 WeakPolarHBondContact CD2-O 3.11Å; F632-I649 HydrophobicContact CE2-CB 4.42Å; F632-I649 HydrophobicContact CE2-CG2 3.64Å; F632-I649 PolarHBondContact N-O 3.16Å; K643-I649 HydrophobicContact CD-CD1 4.45Å; G645-I649 WeakPolarHBondContact O-CG1 3.32Å; G646-I649 PolarHBondContact O-N 3.29Å; G646-I649 VanDerWaalsContact O-N 3.15Å
650	P	97.8	Very high	96.9	Very high	86 Å²	86	45.9 Å²	45.9	56%	0.558	23%	0.233	S	C	*	.	B	Isolated β-bridge	trans	-69.4	144.2	176.9	28.5	-34	0	0	0	111.1	N655	P650-N655 PolarHBondContact O-ND2 3.06Å
651	V	97.9	Very high	96.9	Very high	3 Å²	3	50.6 Å²	50.6	2%	0.018	25%	0.251	C	S	.	.			trans	-80.3	130.7	171.5	-177.7	0	0	0	0	109.1	V625 L630 F632 N655 L656 Y659	V625-V651 HydrophobicContact CG1-CG1 4Å; L630-V651 HydrophobicContact CB-CB 3.89Å; L630-V651 HydrophobicContact CB-CG2 3.8Å; L630-V651 PolarHBondContact O-N 3.42Å; F632-V651 HydrophobicContact CD2-CG2 4.2Å; F632-V651 HydrophobicContact CE2-CG2 4.12Å; V651-N655 VanDerWaalsContact CA-OD1 3.31Å; V651-N655 WeakPolarHBondContact CA-OD1 3.45Å; V651-L656 HydrophobicContact CG1-CD1 3.89Å; V651-Y659 HydrophobicContact CG1-CD1 4.2Å; V651-Y659 HydrophobicContact CG1-CG 4.12Å; V651-Y659 HydrophobicContact CG2-CD1 4.3Å; V651-Y659 HydrophobicContact CG2-CD2 3.56Å; V651-Y659 HydrophobicContact CG2-CE2 4.05Å; V651-Y659 HydrophobicContact CG2-CG 3.7Å
652	T	96.1	Very high	96.9	Very high	34 Å²	34	47.9 Å²	47.9	21%	0.209	24%	0.238	C	C	.	.			trans	-129.5	167.6	179.7	69.2	0	0	0	0	109.3	E626 H654 N655 L656	E626-T652 HydrophobicContact CG-CG2 4.11Å; E626-T652 VanDerWaalsContact OE1-CA 3.23Å; E626-T652 WeakPolarHBondContact OE1-CA 3.29Å; E626-T652 VanDerWaalsContact OE1-CB 3.22Å; E626-T652 WeakPolarHBondContact OE1-CB 3.31Å; T652-H654 PolarHBondContact O-N 3.28Å; T652-H654 PolarHBondContact OG1-N 3.07Å; T652-N655 PolarHBondContact N-OD1 3.28Å; T652-N655 PolarHBondContact O-N 3.39Å; T652-N655 VanDerWaalsContact O-N 3.16Å; T652-N655 PolarHBondContact O-OD1 3.17Å; T652-N655 VanDerWaalsContact O-OD1 3.1Å; T652-L656 WeakPolarHBondContact O-CB 3.1Å; T652-L656 PolarHBondContact O-N 2.52Å
653	I	95.3	Very high	96.9	Very high	4 Å²	4	47.9 Å²	47.9	2%	0.021	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-26.2	174.9	-170.8	56.6	0	0	0	113.1	I593 K597 L618 V625 E626 L656	I593-I653 HydrophobicContact CG2-CD1 3.51Å; K597-I653 HydrophobicContact CD-CD1 4.21Å; K597-I653 HydrophobicContact CD-CG1 4.28Å; K597-I653 PolarHBondContact NZ-O 2.91Å; L618-I653 HydrophobicContact CB-CD1 4.45Å; L618-I653 HydrophobicContact CD1-CD1 3.94Å; L618-I653 HydrophobicContact CD1-CG1 4.39Å; V625-I653 HydrophobicContact CG2-CD1 4.26Å; E626-I653 PolarHBondContact OE1-N 3.41Å; I653-L656 HydrophobicContact CD1-CD2 4.4Å
654	H	94.2	Very high	96.9	Very high	115 Å²	115	47.6 Å²	47.6	53%	0.532	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-34.8	-178.5	-58.8	-62.7	0	0	0	113.2	K597 T652	K597-H654 PolarHBondContact NZ-O 3.17Å; T652-H654 PolarHBondContact O-N 3.28Å; T652-H654 PolarHBondContact OG1-N 3.07Å
655	N	96.4	Very high	97	Very high	30 Å²	30	43 Å²	43	16%	0.16	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.6	1.8	-177.9	70.1	20	0	0	0	113.7	F632 P650 V651 T652 E657 E658 Y659	F632-N655 HydrophobicContact CZ-CB 4.08Å; P650-N655 PolarHBondContact O-ND2 3.06Å; V651-N655 VanDerWaalsContact CA-OD1 3.31Å; V651-N655 WeakPolarHBondContact CA-OD1 3.45Å; T652-N655 PolarHBondContact N-OD1 3.28Å; T652-N655 PolarHBondContact O-N 3.39Å; T652-N655 VanDerWaalsContact O-N 3.16Å; T652-N655 PolarHBondContact O-OD1 3.17Å; T652-N655 VanDerWaalsContact O-OD1 3.1Å; N655-E657 VanDerWaalsContact C-N 3.33Å; N655-E657 PolarHBondContact O-N 3.4Å; N655-E658 VanDerWaalsContact O-CB 3.31Å; N655-E658 WeakPolarHBondContact O-CB 3.43Å; N655-E658 PolarHBondContact O-N 3.13Å; N655-Y659 PolarHBondContact O-N 3.2Å
656	L	97.3	Very high	97.1	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-53.6	-42.7	-177.8	-177.7	59.5	0	0	0	114	L590 I593 V594 V625 V651 T652 I653 E658 Y659 L660	L590-L656 HydrophobicContact CB-CD1 4.18Å; L590-L656 HydrophobicContact CB-CD2 4.48Å; L590-L656 HydrophobicContact CD1-CD1 4.23Å; L590-L656 HydrophobicContact CD2-CD1 4.09Å; L590-L656 HydrophobicContact CD2-CD2 4.42Å; L590-L656 HydrophobicContact CG-CD1 4.39Å; I593-L656 HydrophobicContact CB-CD2 4.18Å; I593-L656 HydrophobicContact CG2-CD2 3.88Å; V594-L656 HydrophobicContact CG2-CB 4.3Å; V594-L656 HydrophobicContact CG2-CD2 3.73Å; V594-L656 HydrophobicContact CG2-CG 3.77Å; V625-L656 HydrophobicContact CG1-CD1 4.22Å; V625-L656 HydrophobicContact CG1-CD2 4.49Å; V625-L656 HydrophobicContact CG2-CD2 4.15Å; V651-L656 HydrophobicContact CG1-CD1 3.89Å; T652-L656 WeakPolarHBondContact O-CB 3.1Å; T652-L656 PolarHBondContact O-N 2.52Å; I653-L656 HydrophobicContact CD1-CD2 4.4Å; L656-E658 VanDerWaalsContact C-N 3.29Å; L656-E658 PolarHBondContact O-N 3.38Å; L656-Y659 HydrophobicContact CD1-CD1 4.21Å; L656-Y659 PolarHBondContact O-N 3.17Å; L656-L660 HydrophobicContact CD1-CD1 4.37Å; L656-L660 HydrophobicContact CD1-CG 4.26Å; L656-L660 HydrophobicContact CG-CD1 4.16Å; L656-L660 HydrophobicContact CG-CG 4.48Å; L656-L660 WeakPolarHBondContact O-CG 3.29Å; L656-L660 PolarHBondContact O-N 2.99Å
657	E	96.1	Very high	97.1	Very high	71 Å²	71	42 Å²	42	33%	0.332	21%	0.206	S	C	.	.	H	α-helix	trans	-65.2	-33.9	178.9	-178.3	167.7	-165.5	0	0	112.4	V594 K598 N655 R661	V594-E657 HydrophobicContact CG1-CB 4.22Å; V594-E657 HydrophobicContact CG1-CG 4.34Å; V594-E657 HydrophobicContact CG2-CB 4.35Å; K598-E657 WeakPolarHBondContact CE-OE1 3.44Å; K598-E657 WeakPolarHBondContact CE-OE2 3.3Å; K598-E657 IonicContact NZ-OE1 2.77Å; K598-E657 PolarHBondContact NZ-OE1 2.77Å; K598-E657 IonicContact NZ-OE2 2.89Å; N655-E657 VanDerWaalsContact C-N 3.33Å; N655-E657 PolarHBondContact O-N 3.4Å; E657-R661 WeakPolarHBondContact O-CG 3.13Å; E657-R661 PolarHBondContact O-N 2.96Å
658	E	97.6	Very high	97.1	Very high	38 Å²	38	36.2 Å²	36.2	18%	0.178	18%	0.181	C	C	.	.	H	α-helix	trans	-67	-48	173.5	-168	-159	161.9	0	0	110.8	F632 K643 N655 L656 L660 R661 L662	F632-E658 HydrophobicContact CE1-CB 4.27Å; F632-E658 HydrophobicContact CE1-CG 4.09Å; F632-E658 HydrophobicContact CZ-CB 4.48Å; K643-E658 WeakPolarHBondContact CD-OE1 3.47Å; K643-E658 IonicContact NZ-OE1 3.23Å; K643-E658 PolarHBondContact NZ-OE1 2.67Å; K643-E658 IonicContact NZ-OE2 2.73Å; K643-E658 PolarHBondContact NZ-OE2 3.33Å; N655-E658 VanDerWaalsContact O-CB 3.31Å; N655-E658 WeakPolarHBondContact O-CB 3.43Å; N655-E658 PolarHBondContact O-N 3.13Å; L656-E658 VanDerWaalsContact C-N 3.29Å; L656-E658 PolarHBondContact O-N 3.38Å; E658-L660 PolarHBondContact O-N 3.45Å; E658-R661 PolarHBondContact O-N 3.35Å; E658-L662 HydrophobicContact CG-CD1 4.03Å; E658-L662 WeakPolarHBondContact O-CB 3.05Å; E658-L662 WeakPolarHBondContact O-CG 3.03Å; E658-L662 PolarHBondContact O-N 2.67Å
659	Y	98.2	Very high	97.1	Very high	11 Å²	11	30.5 Å²	30.5	4%	0.043	15%	0.15	C	C	.	.	H	α-helix	trans	-55	-50.3	176.8	168.8	-103	0	0	0	111.5	L590 L630 D631 F632 L642 V651 N655 L656 R661 L662 V663	L590-Y659 HydrophobicContact CD1-CE1 4.2Å; L630-Y659 HydrophobicContact CD1-CE1 4.12Å; D631-Y659 WeakPolarHBondContact O-CE2 3.42Å; F632-Y659 HydrophobicContact CD1-CD2 4.47Å; L642-Y659 HydrophobicContact CD1-CD2 4.12Å; L642-Y659 HydrophobicContact CD1-CE2 4.15Å; V651-Y659 HydrophobicContact CG1-CD1 4.2Å; V651-Y659 HydrophobicContact CG1-CG 4.12Å; V651-Y659 HydrophobicContact CG2-CD1 4.3Å; V651-Y659 HydrophobicContact CG2-CD2 3.56Å; V651-Y659 HydrophobicContact CG2-CE2 4.05Å; V651-Y659 HydrophobicContact CG2-CG 3.7Å; N655-Y659 PolarHBondContact O-N 3.2Å; L656-Y659 HydrophobicContact CD1-CD1 4.21Å; L656-Y659 PolarHBondContact O-N 3.17Å; Y659-R661 PolarHBondContact O-N 2.87Å; Y659-L662 PolarHBondContact O-N 2.95Å; Y659-V663 HydrophobicContact CD1-CG2 4.37Å; Y659-V663 HydrophobicContact CD2-CG2 3.96Å; Y659-V663 HydrophobicContact CE1-CG2 3.97Å; Y659-V663 HydrophobicContact CE2-CG2 3.5Å; Y659-V663 VanDerWaalsContact CE2-CG2 3.5Å; Y659-V663 HydrophobicContact CG-CG2 4.37Å; Y659-V663 WeakPolarHBondContact O-CG2 3.43Å; Y659-V663 PolarHBondContact O-N 3.41Å
660	L	97.5	Very high	97	Very high	8 Å²	8	30.2 Å²	30.2	4%	0.042	15%	0.148	C	C	.	.	H	α-helix	trans	-61.8	-45.7	-179.2	-66.6	171.9	0	0	0	112.4	V587 L590 E591 V594 L656 E658 L662 V663 I664	V587-L660 HydrophobicContact CG1-CD2 4.21Å; V587-L660 HydrophobicContact CG2-CD2 4.37Å; L590-L660 HydrophobicContact CB-CD1 3.97Å; L590-L660 HydrophobicContact CB-CD2 3.69Å; L590-L660 HydrophobicContact CB-CG 4.34Å; L590-L660 HydrophobicContact CD1-CD2 3.94Å; L590-L660 HydrophobicContact CG-CD2 4.48Å; E591-L660 HydrophobicContact CG-CD1 3.95Å; V594-L660 HydrophobicContact CG2-CD1 3.81Å; L656-L660 HydrophobicContact CD1-CD1 4.37Å; L656-L660 HydrophobicContact CD1-CG 4.26Å; L656-L660 HydrophobicContact CG-CD1 4.16Å; L656-L660 HydrophobicContact CG-CG 4.48Å; L656-L660 WeakPolarHBondContact O-CG 3.29Å; L656-L660 PolarHBondContact O-N 2.99Å; E658-L660 PolarHBondContact O-N 3.45Å; L660-L662 VanDerWaalsContact C-N 3.28Å; L660-L662 PolarHBondContact O-N 2.92Å; L660-V663 PolarHBondContact O-N 2.88Å; L660-I664 WeakPolarHBondContact O-CD1 3.43Å; L660-I664 VanDerWaalsContact O-CG1 3.26Å; L660-I664 WeakPolarHBondContact O-CG1 3.27Å; L660-I664 PolarHBondContact O-N 3.49Å
661	R	96.9	Very high	97	Very high	109 Å²	109	26.2 Å²	26.2	41%	0.411	12%	0.122	S	C	.	.	H	α-helix	trans	-58.3	-42.2	175.7	-78.9	-170.6	-72.9	94.7	-5.8	111.9	E657 E658 Y659 F665	E657-R661 WeakPolarHBondContact O-CG 3.13Å; E657-R661 PolarHBondContact O-N 2.96Å; E658-R661 PolarHBondContact O-N 3.35Å; Y659-R661 PolarHBondContact O-N 2.87Å; R661-F665 VanDerWaalsContact O-CB 3.25Å; R661-F665 WeakPolarHBondContact O-CB 3.32Å; R661-F665 PolarHBondContact O-N 3.48Å
662	L	98.1	Very high	97	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-69.4	-43.2	179.3	-79.2	169.2	0	0	0	112.1	L275 C281 F632 L642 K643 E658 Y659 L660 I664 F665 W666	L275-L662 HydrophobicContact CD1-CD2 3.71Å; C281-L662 VanDerWaalsContact SG-CD2 3.56Å; F632-L662 HydrophobicContact CD1-CD1 3.66Å; F632-L662 HydrophobicContact CE1-CD1 3.8Å; L642-L662 HydrophobicContact CB-CB 4.01Å; L642-L662 HydrophobicContact CB-CD1 4.31Å; L642-L662 HydrophobicContact CD1-CB 4.01Å; L642-L662 HydrophobicContact CG-CB 4.49Å; K643-L662 HydrophobicContact CD-CD1 4.34Å; E658-L662 HydrophobicContact CG-CD1 4.03Å; E658-L662 WeakPolarHBondContact O-CB 3.05Å; E658-L662 WeakPolarHBondContact O-CG 3.03Å; E658-L662 PolarHBondContact O-N 2.67Å; Y659-L662 PolarHBondContact O-N 2.95Å; L660-L662 VanDerWaalsContact C-N 3.28Å; L660-L662 PolarHBondContact O-N 2.92Å; L662-I664 PolarHBondContact O-N 3.25Å; L662-F665 PolarHBondContact O-N 3.37Å; L662-W666 WeakPolarHBondContact O-CB 3.29Å; L662-W666 VanDerWaalsContact O-CD1 3.31Å; L662-W666 PolarHBondContact O-N 3.26Å
663	V	98	Very high	97.1	Very high	1 Å²	1	25.7 Å²	25.7	1%	0.006	12%	0.12	C	C	.	.	H	α-helix	trans	-57.7	-50.5	176.2	167	0	0	0	0	110.8	V587 L634 P635 L642 Y659 L660 A667	V587-V663 HydrophobicContact CG2-CG1 4.36Å; L634-V663 HydrophobicContact CD1-CG1 4.44Å; P635-V663 HydrophobicContact CG-CG1 4.15Å; P635-V663 HydrophobicContact CG-CG2 4.3Å; L642-V663 HydrophobicContact CD1-CG2 3.63Å; Y659-V663 HydrophobicContact CD1-CG2 4.37Å; Y659-V663 HydrophobicContact CD2-CG2 3.96Å; Y659-V663 HydrophobicContact CE1-CG2 3.97Å; Y659-V663 HydrophobicContact CE2-CG2 3.5Å; Y659-V663 VanDerWaalsContact CE2-CG2 3.5Å; Y659-V663 HydrophobicContact CG-CG2 4.37Å; Y659-V663 WeakPolarHBondContact O-CG2 3.43Å; Y659-V663 PolarHBondContact O-N 3.41Å; L660-V663 PolarHBondContact O-N 2.88Å; V663-A667 WeakPolarHBondContact O-CB 3.38Å; V663-A667 PolarHBondContact O-N 2.95Å
664	I	96.9	Very high	97.2	Very high	21 Å²	21	30.5 Å²	30.5	11%	0.108	14%	0.138	C	C	.	.	H	α-helix	trans	-61.8	-48	-180	-63.6	161.3	0	0	0	109.9	V587 L660 L662 A667 L668	V587-I664 HydrophobicContact CG1-CD1 4.32Å; V587-I664 HydrophobicContact CG1-CG1 4.46Å; L660-I664 WeakPolarHBondContact O-CD1 3.43Å; L660-I664 VanDerWaalsContact O-CG1 3.26Å; L660-I664 WeakPolarHBondContact O-CG1 3.27Å; L660-I664 PolarHBondContact O-N 3.49Å; L662-I664 PolarHBondContact O-N 3.25Å; I664-A667 PolarHBondContact O-N 3.11Å; I664-L668 HydrophobicContact CG2-CD1 3.76Å; I664-L668 WeakPolarHBondContact O-CB 3.1Å; I664-L668 WeakPolarHBondContact O-CG 3.39Å; I664-L668 PolarHBondContact O-N 3.34Å
665	F	97.8	Very high	97.4	Very high	34 Å²	34	25 Å²	25	15%	0.149	11%	0.112	C	C	.	.	H	α-helix	trans	-65.7	-41.7	-177.9	-171.9	-105.8	0	0	0	112.6	L275 C281 P282 R661 L662 N669 E670	L275-F665 HydrophobicContact CD1-CD1 3.9Å; L275-F665 HydrophobicContact CD1-CE1 4.09Å; L275-F665 HydrophobicContact CD2-CD1 4.14Å; L275-F665 HydrophobicContact CD2-CE1 3.68Å; C281-F665 HydrophobicContact CB-CB 4.33Å; C281-F665 HydrophobicContact CB-CG 4.25Å; P282-F665 HydrophobicContact CB-CE2 4.37Å; P282-F665 VanDerWaalsContact CD-CZ 3.46Å; P282-F665 HydrophobicContact CG-CE1 4.35Å; P282-F665 HydrophobicContact CG-CE2 3.88Å; P282-F665 HydrophobicContact CG-CZ 3.63Å; R661-F665 VanDerWaalsContact O-CB 3.25Å; R661-F665 WeakPolarHBondContact O-CB 3.32Å; R661-F665 PolarHBondContact O-N 3.48Å; L662-F665 PolarHBondContact O-N 3.37Å; F665-N669 HydrophobicContact CD2-CB 3.76Å; F665-N669 HydrophobicContact CE2-CB 3.55Å; F665-N669 HydrophobicContact CG-CB 4.37Å; F665-N669 HydrophobicContact CZ-CB 4.02Å; F665-N669 CarbonylContact O-C 3.48Å; F665-N669 VanDerWaalsContact O-CA 3.24Å; F665-N669 WeakPolarHBondContact O-CA 3.33Å; F665-N669 VanDerWaalsContact O-CB 3.26Å; F665-N669 WeakPolarHBondContact O-CB 3.46Å; F665-N669 PolarHBondContact O-N 3.38Å; F665-E670 HydrophobicContact CD1-CB 3.96Å; F665-E670 HydrophobicContact CE1-CB 3.69Å; F665-E670 PolarHBondContact O-N 3Å
666	W	97.5	Very high	97.5	Very high	3 Å²	3	23.6 Å²	23.6	1%	0.011	11%	0.105	C	C	.	.	I	π-helix	trans	-69.7	-38.4	176.4	-87.1	94	0	0	0	113	W276 R521 L634 I640 L642 L662 E670 G671	W276-W666 HydrophobicContact CE3-CZ2 4.35Å; R521-W666 HydrophobicContact CG-CH2 3.86Å; L634-W666 HydrophobicContact CD1-CB 4.14Å; I640-W666 HydrophobicContact CG2-CE3 3.92Å; I640-W666 HydrophobicContact CG2-CZ3 4.17Å; L642-W666 HydrophobicContact CD2-CB 3.62Å; L642-W666 HydrophobicContact CD2-CD2 4.38Å; L642-W666 HydrophobicContact CD2-CG 3.56Å; L642-W666 PolarHBondContact O-NE1 3.44Å; L662-W666 WeakPolarHBondContact O-CB 3.29Å; L662-W666 VanDerWaalsContact O-CD1 3.31Å; L662-W666 PolarHBondContact O-N 3.26Å; W666-E670 HydrophobicContact CD2-CB 4.01Å; W666-E670 HydrophobicContact CD2-CG 3.88Å; W666-E670 HydrophobicContact CE3-CB 4.05Å; W666-E670 HydrophobicContact CE3-CG 3.75Å; W666-E670 HydrophobicContact CG-CB 4.41Å; W666-E670 HydrophobicContact CH2-CG 3.61Å; W666-E670 HydrophobicContact CZ2-CG 3.76Å; W666-E670 HydrophobicContact CZ3-CB 4.4Å; W666-E670 HydrophobicContact CZ3-CG 3.62Å; W666-G671 WeakPolarHBondContact O-CA 3.31Å; W666-G671 PolarHBondContact O-N 3.31Å; W666-G671 VanDerWaalsContact O-N 3.09Å
667	A	96.8	Very high	97.6	Very high	2 Å²	2	27.1 Å²	27.1	2%	0.017	12%	0.124	C	C	.	.	I	π-helix	trans	-65.8	-42.4	179.6	0	0	0	0	0	112.4	R489 L576 L634 V663 I664	R489-A667 PolarHBondContact NH2-O 3.21Å; L576-A667 HydrophobicContact CD1-CB 3.98Å; L634-A667 HydrophobicContact CD1-CB 4.08Å; V663-A667 WeakPolarHBondContact O-CB 3.38Å; V663-A667 PolarHBondContact O-N 2.95Å; I664-A667 PolarHBondContact O-N 3.11Å
668	L	96.8	Very high	97.7	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	11%	0.109	C	C	.	.	I	π-helix	trans	-103.1	-23.4	-168.8	-56.8	-178.5	0	0	0	113.8	W563 L571 T572 D575 L576 I579 I664 V672	W563-L668 PolarHBondContact NE1-O 3.02Å; L571-L668 HydrophobicContact CB-CB 4.25Å; L571-L668 HydrophobicContact CB-CD1 3.96Å; L571-L668 HydrophobicContact CD1-CB 4.05Å; T572-L668 WeakPolarHBondContact O-CD1 3.42Å; D575-L668 HydrophobicContact CB-CD1 4.05Å; L576-L668 HydrophobicContact CD1-CD2 4.28Å; I579-L668 HydrophobicContact CD1-CD2 3.18Å; I664-L668 HydrophobicContact CG2-CD1 3.76Å; I664-L668 WeakPolarHBondContact O-CB 3.1Å; I664-L668 WeakPolarHBondContact O-CG 3.39Å; I664-L668 PolarHBondContact O-N 3.34Å; L668-V672 VanDerWaalsContact O-CG2 3.29Å; L668-V672 WeakPolarHBondContact O-CG2 3.35Å
669	N	97.4	Very high	97.8	Very high	17 Å²	17	22.1 Å²	22.1	9%	0.091	10%	0.1	C	C	.	.	I	π-helix	trans	-125	-78.4	-173.2	-70.7	-80.3	0	0	0	114.7	W563 E568 F665 G671 V672 C673	W563-N669 HydrophobicContact CZ2-CB 4.4Å; E568-N669 WeakPolarHBondContact CB-OD1 3.39Å; E568-N669 PolarHBondContact O-ND2 2.94Å; E568-N669 PolarHBondContact O-OD1 3.41Å; E568-N669 VanDerWaalsContact O-OD1 3.1Å; F665-N669 HydrophobicContact CD2-CB 3.76Å; F665-N669 HydrophobicContact CE2-CB 3.55Å; F665-N669 HydrophobicContact CG-CB 4.37Å; F665-N669 HydrophobicContact CZ-CB 4.02Å; F665-N669 CarbonylContact O-C 3.48Å; F665-N669 VanDerWaalsContact O-CA 3.24Å; F665-N669 WeakPolarHBondContact O-CA 3.33Å; F665-N669 VanDerWaalsContact O-CB 3.26Å; F665-N669 WeakPolarHBondContact O-CB 3.46Å; F665-N669 PolarHBondContact O-N 3.38Å; N669-G671 VanDerWaalsContact C-N 3.34Å; N669-G671 PolarHBondContact O-N 3.38Å; N669-V672 WeakPolarHBondContact O-CG2 3.16Å; N669-V672 PolarHBondContact O-N 3.09Å; N669-C673 PolarHBondContact O-N 3.15Å
670	E	97.1	Very high	97.8	Very high	48 Å²	48	22 Å²	22	22%	0.224	10%	0.1	C	C	.	.	I	π-helix	trans	-59.9	-42.3	-168.8	178.4	64.1	-171.3	0	0	112.5	L275 R521 F665 W666 V672 C673	L275-E670 HydrophobicContact CD2-CB 4.24Å; L275-E670 HydrophobicContact CD2-CG 3.79Å; R521-E670 IonicContact NH2-OE1 3.32Å; F665-E670 HydrophobicContact CD1-CB 3.96Å; F665-E670 HydrophobicContact CE1-CB 3.69Å; F665-E670 PolarHBondContact O-N 3Å; W666-E670 HydrophobicContact CD2-CB 4.01Å; W666-E670 HydrophobicContact CD2-CG 3.88Å; W666-E670 HydrophobicContact CE3-CB 4.05Å; W666-E670 HydrophobicContact CE3-CG 3.75Å; W666-E670 HydrophobicContact CG-CB 4.41Å; W666-E670 HydrophobicContact CH2-CG 3.61Å; W666-E670 HydrophobicContact CZ2-CG 3.76Å; W666-E670 HydrophobicContact CZ3-CB 4.4Å; W666-E670 HydrophobicContact CZ3-CG 3.62Å; E670-V672 PolarHBondContact O-N 3.34Å; E670-C673 PolarHBondContact O-SG 2.94Å
671	G	97	Very high	97.8	Very high	1 Å²	1	25.7 Å²	25.7	1%	0.01	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-19.7	-179.1	0	0	0	0	0	113.8	P518 F519 W666 N669 Q675	P518-G671 CarbonylContact C-O 3.52Å; P518-G671 VanDerWaalsContact CA-O 3.3Å; P518-G671 WeakPolarHBondContact CA-O 3.45Å; F519-G671 PolarHBondContact N-O 3.03Å; W666-G671 WeakPolarHBondContact O-CA 3.31Å; W666-G671 PolarHBondContact O-N 3.31Å; W666-G671 VanDerWaalsContact O-N 3.09Å; N669-G671 VanDerWaalsContact C-N 3.34Å; N669-G671 PolarHBondContact O-N 3.38Å; G671-Q675 PolarHBondContact O-NE2 3.09Å; G671-Q675 VanDerWaalsContact O-NE2 3.11Å
672	V	98.1	Very high	97.8	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.6	-8.7	-170.2	-60.2	0	0	0	0	114.2	F515 A516 P518 W563 L668 N669 E670 R674 Q675 F676	F515-V672 HydrophobicContact CE1-CG1 4.02Å; F515-V672 HydrophobicContact CE1-CG2 4.28Å; F515-V672 HydrophobicContact CZ-CG2 4.05Å; A516-V672 HydrophobicContact CB-CB 4.11Å; A516-V672 HydrophobicContact CB-CG1 3.87Å; P518-V672 HydrophobicContact CB-CG1 4.39Å; W563-V672 HydrophobicContact CZ2-CG2 4.22Å; L668-V672 VanDerWaalsContact O-CG2 3.29Å; L668-V672 WeakPolarHBondContact O-CG2 3.35Å; N669-V672 WeakPolarHBondContact O-CG2 3.16Å; N669-V672 PolarHBondContact O-N 3.09Å; E670-V672 PolarHBondContact O-N 3.34Å; V672-R674 VanDerWaalsContact C-N 3.27Å; V672-R674 PolarHBondContact O-N 2.95Å; V672-Q675 VanDerWaalsContact C-OE1 3.26Å; V672-Q675 WeakPolarHBondContact O-CB 3.38Å; V672-Q675 PolarHBondContact O-N 2.99Å; V672-Q675 VanDerWaalsContact O-N 3.1Å; V672-Q675 PolarHBondContact O-OE1 2.61Å; V672-Q675 VanDerWaalsContact O-OE1 3.08Å; V672-F676 HydrophobicContact CB-CD2 3.85Å; V672-F676 HydrophobicContact CB-CE2 3.86Å; V672-F676 HydrophobicContact CG2-CD2 3.79Å; V672-F676 HydrophobicContact CG2-CE2 3.8Å; V672-F676 WeakPolarHBondContact O-CD2 3.45Å; V672-F676 PolarHBondContact O-N 3.35Å; V672-F676 VanDerWaalsContact O-N 3.17Å
673	C	97.8	Very high	97.8	Very high	27 Å²	27	20.5 Å²	20.5	18%	0.182	10%	0.1	C	C	.	.	H	α-helix	trans	-54.8	-41.7	-174.1	64.8	0	0	0	0	112.6	W563 N669 E670 Q675 F676 D677	W563-C673 HydrophobicContact CH2-CB 3.98Å; N669-C673 PolarHBondContact O-N 3.15Å; E670-C673 PolarHBondContact O-SG 2.94Å; C673-Q675 VanDerWaalsContact C-N 3.3Å; C673-Q675 PolarHBondContact O-N 3.43Å; C673-F676 PolarHBondContact O-N 2.91Å; C673-D677 WeakPolarHBondContact O-CB 3.44Å; C673-D677 PolarHBondContact O-N 2.9Å
674	R	98.1	Very high	97.7	Very high	104 Å²	104	23.9 Å²	23.9	39%	0.392	12%	0.116	S	C	.	.	H	α-helix	trans	-64.4	-35	-177.5	-61	-177.6	-175.3	-179.4	3.2	112.7	F519 I528 K532 V672 S678	F519-R674 HydrophobicContact CD2-CB 4.36Å; F519-R674 HydrophobicContact CE2-CB 4.41Å; I528-R674 VanDerWaalsContact CD1-NH1 3.29Å; K532-R674 HydrophobicContact CD-CB 4.27Å; K532-R674 HydrophobicContact CG-CB 4.5Å; V672-R674 VanDerWaalsContact C-N 3.27Å; V672-R674 PolarHBondContact O-N 2.95Å; R674-S678 WeakPolarHBondContact O-CB 3.41Å; R674-S678 PolarHBondContact O-N 2.78Å
675	Q	98.4	Very high	97.7	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-69.5	-52.9	177.8	-62.1	85.8	-51.3	0	0	108.9	A516 L517 F519 V531 F535 G671 V672 C673 S678 F679	A516-Q675 HydrophobicContact CB-CB 4.4Å; A516-Q675 HydrophobicContact CB-CG 4.46Å; L517-Q675 PolarHBondContact O-NE2 3.22Å; F519-Q675 VanDerWaalsContact CD2-CD 3.45Å; F519-Q675 HydrophobicContact CD2-CG 4.45Å; F519-Q675 VanDerWaalsContact CD2-OE1 3.24Å; F519-Q675 HydrophobicContact CE2-CG 3.7Å; F519-Q675 HydrophobicContact CZ-CG 4.07Å; V531-Q675 HydrophobicContact CG1-CG 3.9Å; F535-Q675 WeakPolarHBondContact CB-O 3.39Å; F535-Q675 HydrophobicContact CD1-CB 3.97Å; F535-Q675 HydrophobicContact CD2-CB 3.75Å; F535-Q675 HydrophobicContact CD2-CG 4Å; F535-Q675 HydrophobicContact CE1-CB 4.02Å; F535-Q675 HydrophobicContact CE2-CB 3.82Å; F535-Q675 HydrophobicContact CE2-CG 3.84Å; F535-Q675 HydrophobicContact CG-CB 3.84Å; F535-Q675 HydrophobicContact CZ-CB 3.96Å; F535-Q675 HydrophobicContact CZ-CG 4.29Å; G671-Q675 PolarHBondContact O-NE2 3.09Å; G671-Q675 VanDerWaalsContact O-NE2 3.11Å; V672-Q675 VanDerWaalsContact C-OE1 3.26Å; V672-Q675 WeakPolarHBondContact O-CB 3.38Å; V672-Q675 PolarHBondContact O-N 2.99Å; V672-Q675 VanDerWaalsContact O-N 3.1Å; V672-Q675 PolarHBondContact O-OE1 2.61Å; V672-Q675 VanDerWaalsContact O-OE1 3.08Å; C673-Q675 VanDerWaalsContact C-N 3.3Å; C673-Q675 PolarHBondContact O-N 3.43Å; Q675-S678 WeakPolarHBondContact O-CB 3.29Å; Q675-S678 PolarHBondContact O-N 2.9Å; Q675-F679 PolarHBondContact O-N 3.05Å
676	F	98.6	Very high	97.5	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-68.3	-36.1	-177.5	-77.6	-70.2	0	0	0	113.8	F515 A516 F560 W563 V672 C673 S678 F679 R680	F515-F676 HydrophobicContact CD2-CE2 4.42Å; F515-F676 AromaticContact CD2-CZ 3.99Å; F515-F676 HydrophobicContact CD2-CZ 3.99Å; F515-F676 AromaticContact CE2-CE2 3.66Å; F515-F676 HydrophobicContact CE2-CE2 3.66Å; F515-F676 AromaticContact CE2-CZ 3.49Å; F515-F676 HydrophobicContact CE2-CZ 3.49Å; F515-F676 VanDerWaalsContact CE2-CZ 3.49Å; F515-F676 AromaticContact CZ-CE2 3.77Å; F515-F676 HydrophobicContact CZ-CE2 3.77Å; F515-F676 HydrophobicContact CZ-CZ 4.11Å; A516-F676 HydrophobicContact CB-CE2 3.94Å; A516-F676 HydrophobicContact CB-CZ 4.33Å; F560-F676 HydrophobicContact CB-CE1 4.36Å; F560-F676 HydrophobicContact CB-CZ 4.46Å; F560-F676 HydrophobicContact CD1-CE1 4.35Å; F560-F676 AromaticContact CD2-CE1 3.39Å; F560-F676 HydrophobicContact CD2-CE1 3.39Å; F560-F676 AromaticContact CD2-CZ 3.72Å; F560-F676 HydrophobicContact CD2-CZ 3.72Å; F560-F676 HydrophobicContact CE2-CD1 4.47Å; F560-F676 AromaticContact CE2-CE1 3.62Å; F560-F676 HydrophobicContact CE2-CE1 3.62Å; F560-F676 HydrophobicContact CE2-CZ 4.25Å; F560-F676 AromaticContact CG-CE1 3.79Å; F560-F676 HydrophobicContact CG-CE1 3.79Å; F560-F676 HydrophobicContact CG-CZ 4.24Å; F560-F676 HydrophobicContact CZ-CE1 4.18Å; W563-F676 HydrophobicContact CB-CD1 3.48Å; W563-F676 VanDerWaalsContact CB-CD1 3.48Å; W563-F676 HydrophobicContact CB-CD2 4.27Å; W563-F676 HydrophobicContact CB-CE1 3.56Å; W563-F676 HydrophobicContact CB-CE2 4.36Å; W563-F676 HydrophobicContact CB-CG 3.85Å; W563-F676 HydrophobicContact CB-CZ 4.03Å; W563-F676 AromaticContact CD1-CD2 3.95Å; W563-F676 AromaticContact CD1-CE2 3.77Å; W563-F676 HydrophobicContact CD2-CB 3.73Å; W563-F676 HydrophobicContact CD2-CD1 4.15Å; W563-F676 AromaticContact CD2-CD2 3.56Å; W563-F676 HydrophobicContact CD2-CD2 3.56Å; W563-F676 HydrophobicContact CD2-CE2 4.18Å; W563-F676 AromaticContact CD2-CG 3.55Å; W563-F676 HydrophobicContact CD2-CG 3.55Å; W563-F676 AromaticContact CE2-CD2 3.85Å; W563-F676 HydrophobicContact CE3-CB 3.24Å; W563-F676 HydrophobicContact CE3-CD1 4.34Å; W563-F676 HydrophobicContact CE3-CD2 4.01Å; W563-F676 AromaticContact CE3-CG 3.64Å; W563-F676 HydrophobicContact CE3-CG 3.64Å; W563-F676 HydrophobicContact CG-CB 4.3Å; W563-F676 AromaticContact CG-CD1 3.81Å; W563-F676 HydrophobicContact CG-CD1 3.81Å; W563-F676 AromaticContact CG-CD2 3.68Å; W563-F676 HydrophobicContact CG-CD2 3.68Å; W563-F676 AromaticContact CG-CE1 3.95Å; W563-F676 HydrophobicContact CG-CE1 3.95Å; W563-F676 AromaticContact CG-CE2 3.85Å; W563-F676 HydrophobicContact CG-CE2 3.85Å; W563-F676 AromaticContact CG-CG 3.66Å; W563-F676 HydrophobicContact CG-CG 3.66Å; W563-F676 AromaticContact CG-CZ 3.98Å; W563-F676 HydrophobicContact CG-CZ 3.98Å; W563-F676 HydrophobicContact CZ3-CB 3.7Å; W563-F676 HydrophobicContact CZ3-CG 4.42Å; V672-F676 HydrophobicContact CB-CD2 3.85Å; V672-F676 HydrophobicContact CB-CE2 3.86Å; V672-F676 HydrophobicContact CG2-CD2 3.79Å; V672-F676 HydrophobicContact CG2-CE2 3.8Å; V672-F676 WeakPolarHBondContact O-CD2 3.45Å; V672-F676 PolarHBondContact O-N 3.35Å; V672-F676 VanDerWaalsContact O-N 3.17Å; C673-F676 PolarHBondContact O-N 2.91Å; F676-S678 VanDerWaalsContact C-N 3.3Å; F676-S678 PolarHBondContact O-N 3.31Å; F676-F679 WeakPolarHBondContact O-CB 3.41Å; F676-F679 PolarHBondContact O-N 3.33Å; F676-R680 WeakPolarHBondContact O-CG 3.29Å; F676-R680 PolarHBondContact O-N 3.26Å
677	D	98.4	Very high	97.3	Very high	75 Å²	75	25.2 Å²	25.2	40%	0.401	13%	0.13	S	C	.	.	H	α-helix	trans	-61.2	-43.3	172.1	-72.1	-21.9	0	0	0	110.7	C673 F679 R680 D681	C673-D677 WeakPolarHBondContact O-CB 3.44Å; C673-D677 PolarHBondContact O-N 2.9Å; D677-F679 VanDerWaalsContact C-N 3.34Å; D677-F679 PolarHBondContact O-N 3.03Å; D677-R680 PolarHBondContact O-N 2.8Å; D677-R680 IonicContact OD1-NH1 3.72Å; D677-D681 WeakPolarHBondContact O-CB 3.46Å; D677-D681 PolarHBondContact O-N 2.82Å
678	S	98.6	Very high	97.2	Very high	3 Å²	3	27.6 Å²	27.6	2%	0.021	15%	0.145	C	C	.	.	H	α-helix	trans	-65.9	-37.5	176.6	-155.7	0	0	0	0	112.1	K532 R536 R674 Q675 F676 G682	K532-S678 WeakPolarHBondContact O-CB 3.48Å; K532-S678 PolarHBondContact O-OG 3.45Å; R536-S678 VanDerWaalsContact CA-O 3.23Å; R536-S678 WeakPolarHBondContact CA-O 3.34Å; R536-S678 WeakPolarHBondContact CB-O 3.35Å; R674-S678 WeakPolarHBondContact O-CB 3.41Å; R674-S678 PolarHBondContact O-N 2.78Å; Q675-S678 WeakPolarHBondContact O-CB 3.29Å; Q675-S678 PolarHBondContact O-N 2.9Å; F676-S678 VanDerWaalsContact C-N 3.3Å; F676-S678 PolarHBondContact O-N 3.31Å; S678-G682 PolarHBondContact O-N 2.7Å
679	F	98.8	Very high	97	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-61.9	-50.5	172.7	167.6	-94.2	0	0	0	112.2	F535 L538 G539 M542 F560 M564 Q675 F676 D677 D681 G682 F683	F535-F679 HydrophobicContact CB-CB 4.16Å; F535-F679 HydrophobicContact CD1-CB 4.08Å; F535-F679 VanDerWaalsContact O-CA 3.29Å; F535-F679 WeakPolarHBondContact O-CA 3.44Å; L538-F679 HydrophobicContact CB-CD2 4.3Å; L538-F679 HydrophobicContact CD2-CD2 4.14Å; L538-F679 HydrophobicContact CD2-CE2 4.31Å; L538-F679 HydrophobicContact CG-CD2 3.93Å; L538-F679 HydrophobicContact CG-CE2 3.91Å; G539-F679 VanDerWaalsContact CA-CD2 3.45Å; G539-F679 VanDerWaalsContact CA-CE2 3.48Å; G539-F679 WeakPolarHBondContact CA-O 3.28Å; M542-F679 HydrophobicContact SD-CE2 3.56Å; M542-F679 VanDerWaalsContact SD-CE2 3.56Å; M542-F679 HydrophobicContact SD-CZ 3.86Å; F560-F679 AromaticContact CE1-CE1 3.98Å; F560-F679 HydrophobicContact CE1-CE1 3.98Å; F560-F679 HydrophobicContact CE1-CE2 4.06Å; F560-F679 AromaticContact CE1-CZ 3.7Å; F560-F679 HydrophobicContact CE1-CZ 3.7Å; F560-F679 HydrophobicContact CZ-CD1 4.38Å; F560-F679 AromaticContact CZ-CD2 3.98Å; F560-F679 HydrophobicContact CZ-CD2 3.98Å; F560-F679 HydrophobicContact CZ-CE1 4.17Å; F560-F679 AromaticContact CZ-CE2 3.75Å; F560-F679 HydrophobicContact CZ-CE2 3.75Å; F560-F679 HydrophobicContact CZ-CG 4.3Å; F560-F679 AromaticContact CZ-CZ 3.86Å; F560-F679 HydrophobicContact CZ-CZ 3.86Å; M564-F679 HydrophobicContact CB-CE1 4.3Å; M564-F679 HydrophobicContact CE-CZ 4.49Å; M564-F679 HydrophobicContact CG-CE1 4.03Å; M564-F679 HydrophobicContact CG-CZ 4.48Å; M564-F679 HydrophobicContact SD-CZ 4.48Å; Q675-F679 PolarHBondContact O-N 3.05Å; F676-F679 WeakPolarHBondContact O-CB 3.41Å; F676-F679 PolarHBondContact O-N 3.33Å; D677-F679 VanDerWaalsContact C-N 3.34Å; D677-F679 PolarHBondContact O-N 3.03Å; F679-D681 VanDerWaalsContact C-N 3.33Å; F679-D681 PolarHBondContact O-N 3.31Å; F679-G682 WeakPolarHBondContact O-CA 3.37Å; F679-G682 PolarHBondContact O-N 2.78Å; F679-G682 VanDerWaalsContact O-N 3.09Å; F679-F683 HydrophobicContact CZ-CD2 4.25Å; F679-F683 PolarHBondContact O-N 2.93Å
680	R	98.3	Very high	96.7	Very high	9 Å²	9	30.5 Å²	30.5	3%	0.034	17%	0.165	C	C	.	.	H	α-helix	trans	-59	-44.3	177	-71.4	172.7	-178.9	168.2	-4.9	111.2	W563 E568 F676 D677 G682 F683 E684 L689	W563-R680 VanDerWaalsContact CE3-NH2 3.3Å; W563-R680 PolarHBondContact O-NE 3.01Å; W563-R680 PolarHBondContact O-NH2 2.67Å; E568-R680 IonicContact OE1-CZ 3.5Å; E568-R680 IonicContact OE1-NH1 2.92Å; E568-R680 PolarHBondContact OE1-NH1 3.07Å; E568-R680 IonicContact OE1-NH2 2.81Å; E568-R680 PolarHBondContact OE1-NH2 2.85Å; E568-R680 IonicContact OE2-CZ 3.65Å; E568-R680 IonicContact OE2-NH1 2.68Å; E568-R680 IonicContact OE2-NH2 3.11Å; E568-R680 PolarHBondContact OE2-NH2 3.45Å; F676-R680 WeakPolarHBondContact O-CG 3.29Å; F676-R680 PolarHBondContact O-N 3.26Å; D677-R680 PolarHBondContact O-N 2.8Å; D677-R680 IonicContact OD1-NH1 3.72Å; R680-G682 VanDerWaalsContact C-N 3.29Å; R680-G682 PolarHBondContact O-N 3.08Å; R680-F683 PolarHBondContact O-N 2.75Å; R680-E684 VanDerWaalsContact O-CB 3.31Å; R680-E684 WeakPolarHBondContact O-CB 3.38Å; R680-E684 WeakPolarHBondContact O-CG 3.46Å; R680-E684 PolarHBondContact O-N 3.4Å; R680-L689 HydrophobicContact CB-CD1 4.05Å; R680-L689 HydrophobicContact CG-CD1 3.86Å
681	D	97.8	Very high	96.5	Very high	85 Å²	85	30.4 Å²	30.4	46%	0.455	17%	0.165	S	C	.	.	H	α-helix	trans	-56.9	-43.1	174.4	-79.5	-4.6	0	0	0	112	R536 D677 F679 S685	R536-D681 IonicContact CZ-OD2 3.71Å; R536-D681 IonicContact NH2-OD2 4Å; R536-D681 PolarHBondContact NH2-OD2 3.19Å; D677-D681 WeakPolarHBondContact O-CB 3.46Å; D677-D681 PolarHBondContact O-N 2.82Å; F679-D681 VanDerWaalsContact C-N 3.33Å; F679-D681 PolarHBondContact O-N 3.31Å; D681-S685 WeakPolarHBondContact O-CB 3.36Å; D681-S685 PolarHBondContact O-N 3.5Å
682	G	98.1	Very high	96.4	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-62.7	-48.1	176.2	0	0	0	0	0	112	R536 K540 S678 F679 R680 S685	R536-G682 WeakPolarHBondContact O-CA 3.36Å; K540-G682 VanDerWaalsContact CG-O 3.25Å; K540-G682 WeakPolarHBondContact CG-O 3.45Å; S678-G682 PolarHBondContact O-N 2.7Å; F679-G682 WeakPolarHBondContact O-CA 3.37Å; F679-G682 PolarHBondContact O-N 2.78Å; F679-G682 VanDerWaalsContact O-N 3.09Å; R680-G682 VanDerWaalsContact C-N 3.29Å; R680-G682 PolarHBondContact O-N 3.08Å; G682-S685 PolarHBondContact O-N 3.16Å; G682-S685 PolarHBondContact O-OG 3.25Å
683	F	98	Very high	96	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-64.1	-52.6	-179	-167.1	-75.5	0	0	0	111.8	G539 M542 A543 I546 M564 F679 R680 S685 V686 F687 L689 L692	G539-F683 WeakPolarHBondContact O-CA 3.38Å; G539-F683 WeakPolarHBondContact O-CD2 3.22Å; M542-F683 HydrophobicContact CB-CD2 4.21Å; M542-F683 HydrophobicContact CB-CE2 4.17Å; A543-F683 HydrophobicContact CB-CB 4.48Å; A543-F683 HydrophobicContact CB-CD1 4.09Å; A543-F683 HydrophobicContact CB-CD2 3.7Å; A543-F683 HydrophobicContact CB-CE1 4.25Å; A543-F683 HydrophobicContact CB-CE2 3.81Å; A543-F683 HydrophobicContact CB-CG 3.85Å; A543-F683 HydrophobicContact CB-CZ 4.1Å; I546-F683 HydrophobicContact CD1-CE2 3.93Å; I546-F683 HydrophobicContact CD1-CZ 3.69Å; M564-F683 HydrophobicContact CE-CD2 3.79Å; M564-F683 HydrophobicContact CE-CE1 4.29Å; M564-F683 HydrophobicContact CE-CE2 3.21Å; M564-F683 HydrophobicContact CE-CZ 3.5Å; F679-F683 HydrophobicContact CZ-CD2 4.25Å; F679-F683 PolarHBondContact O-N 2.93Å; R680-F683 PolarHBondContact O-N 2.75Å; F683-S685 PolarHBondContact O-N 3.19Å; F683-S685 VanDerWaalsContact O-N 3.16Å; F683-V686 PolarHBondContact O-N 3.3Å; F683-F687 CarbonylContact C-O 3.57Å; F683-F687 WeakPolarHBondContact CD1-O 3.48Å; F683-F687 HydrophobicContact CE1-CB 4.07Å; F683-F687 AromaticContact CE1-CD1 3.74Å; F683-F687 HydrophobicContact CE1-CD1 3.74Å; F683-F687 HydrophobicContact CE1-CG 4.4Å; F683-F687 VanDerWaalsContact CE1-O 3.31Å; F683-F687 WeakPolarHBondContact CE1-O 3.27Å; F683-F687 HydrophobicContact CZ-CB 4.49Å; F683-F687 HydrophobicContact CZ-CD1 4.01Å; F683-F687 PolarHBondContact O-N 2.94Å; F683-F687 VanDerWaalsContact O-O 3.1Å; F683-L689 HydrophobicContact CD1-CD1 4.43Å; F683-L689 HydrophobicContact CD1-CD2 3.29Å; F683-L689 HydrophobicContact CD1-CG 3.47Å; F683-L689 VanDerWaalsContact CD1-CG 3.47Å; F683-L689 HydrophobicContact CD2-CD2 4.39Å; F683-L689 HydrophobicContact CE1-CD2 3.37Å; F683-L689 HydrophobicContact CE1-CG 3.85Å; F683-L689 HydrophobicContact CG-CD2 3.82Å; F683-L689 HydrophobicContact CG-CG 4.22Å; F683-L689 HydrophobicContact CZ-CD2 4.02Å; F683-L692 HydrophobicContact CE1-CD1 4.26Å; F683-L692 HydrophobicContact CZ-CD1 3.88Å
684	E	96.4	Very high	95.8	Very high	73 Å²	73	32.8 Å²	32.8	34%	0.341	17%	0.173	S	C	.	.	H	α-helix	trans	-63.2	-21.9	-179.3	-64.7	-90.5	-150.2	0	0	112.5	R566 R680 V686 F687 P688 L689	R566-E684 IonicContact CZ-OE1 3.18Å; R566-E684 IonicContact NH2-OE1 2.73Å; R566-E684 PolarHBondContact NH2-OE1 3.2Å; R680-E684 VanDerWaalsContact O-CB 3.31Å; R680-E684 WeakPolarHBondContact O-CB 3.38Å; R680-E684 WeakPolarHBondContact O-CG 3.46Å; R680-E684 PolarHBondContact O-N 3.4Å; E684-V686 PolarHBondContact O-N 3.33Å; E684-F687 WeakPolarHBondContact CA-O 3.43Å; E684-P688 VanDerWaalsContact OE2-CA 3.32Å; E684-P688 WeakPolarHBondContact OE2-CA 3.3Å; E684-L689 HydrophobicContact CG-CB 4.43Å; E684-L689 HydrophobicContact CG-CD1 3.73Å; E684-L689 HydrophobicContact CG-CG 3.97Å; E684-L689 WeakPolarHBondContact OE1-CB 3.35Å; E684-L689 PolarHBondContact OE2-N 3.23Å
685	S	95.4	Very high	95.7	Very high	58 Å²	58	28.1 Å²	28.1	41%	0.406	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-14.5	173.4	77.9	0	0	0	0	113.9	K540 D681 G682 F683	K540-S685 WeakPolarHBondContact CE-OG 3.28Å; D681-S685 WeakPolarHBondContact O-CB 3.36Å; D681-S685 PolarHBondContact O-N 3.5Å; G682-S685 PolarHBondContact O-N 3.16Å; G682-S685 PolarHBondContact O-OG 3.25Å; F683-S685 PolarHBondContact O-N 3.19Å; F683-S685 VanDerWaalsContact O-N 3.16Å
686	V	94.4	Very high	95.5	Very high	21 Å²	21	28.7 Å²	28.7	13%	0.127	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.7	-50.7	-178.1	174.1	0	0	0	0	111	G448 K540 A543 K544 M547 F683 E684	G448-V686 WeakPolarHBondContact O-CG1 3.44Å; G448-V686 WeakPolarHBondContact O-CG2 3.41Å; K540-V686 HydrophobicContact CB-CG2 4.22Å; K540-V686 HydrophobicContact CG-CG2 4.07Å; A543-V686 HydrophobicContact CB-CB 3.61Å; A543-V686 HydrophobicContact CB-CG1 3.68Å; K544-V686 HydrophobicContact CB-CG1 4.41Å; M547-V686 HydrophobicContact SD-CG1 3.64Å; F683-V686 PolarHBondContact O-N 3.3Å; E684-V686 PolarHBondContact O-N 3.33Å
687	F	93.5	Very high	95.2	Very high	7 Å²	7	28.8 Å²	28.8	3%	0.031	16%	0.159	C	C	.	.	S	Bend	trans	-136.4	129.9	-175.7	-171.6	-99.3	0	0	0	111.1	F389 A393 F394 A543 I546 M547 F683 E684 L689 H691 L692	F389-F687 AromaticContact CE2-CE1 3.79Å; F389-F687 HydrophobicContact CE2-CE1 3.79Å; F389-F687 AromaticContact CE2-CZ 3.54Å; F389-F687 HydrophobicContact CE2-CZ 3.54Å; F389-F687 AromaticContact CZ-CE1 3.8Å; F389-F687 HydrophobicContact CZ-CE1 3.8Å; F389-F687 AromaticContact CZ-CZ 3.53Å; F389-F687 HydrophobicContact CZ-CZ 3.53Å; A393-F687 HydrophobicContact CB-CE2 4.25Å; A393-F687 HydrophobicContact CB-CZ 3.78Å; F394-F687 HydrophobicContact CD1-CE2 4.42Å; F394-F687 AromaticContact CE1-CE2 3.99Å; F394-F687 HydrophobicContact CE1-CE2 3.99Å; F394-F687 HydrophobicContact CE2-CE2 4.21Å; F394-F687 HydrophobicContact CE2-CZ 4.14Å; F394-F687 AromaticContact CZ-CE2 3.87Å; F394-F687 HydrophobicContact CZ-CE2 3.87Å; F394-F687 AromaticContact CZ-CZ 3.99Å; F394-F687 HydrophobicContact CZ-CZ 3.99Å; A543-F687 HydrophobicContact CB-CB 3.8Å; I546-F687 HydrophobicContact CG2-CE1 4.37Å; I546-F687 HydrophobicContact CG2-CZ 4.34Å; M547-F687 HydrophobicContact CG-CD2 4.03Å; F683-F687 CarbonylContact C-O 3.57Å; F683-F687 WeakPolarHBondContact CD1-O 3.48Å; F683-F687 HydrophobicContact CE1-CB 4.07Å; F683-F687 AromaticContact CE1-CD1 3.74Å; F683-F687 HydrophobicContact CE1-CD1 3.74Å; F683-F687 HydrophobicContact CE1-CG 4.4Å; F683-F687 VanDerWaalsContact CE1-O 3.31Å; F683-F687 WeakPolarHBondContact CE1-O 3.27Å; F683-F687 HydrophobicContact CZ-CB 4.49Å; F683-F687 HydrophobicContact CZ-CD1 4.01Å; F683-F687 PolarHBondContact O-N 2.94Å; F683-F687 VanDerWaalsContact O-O 3.1Å; E684-F687 WeakPolarHBondContact CA-O 3.43Å; F687-L689 PolarHBondContact O-N 3.14Å; F687-H691 HydrophobicContact CE1-CB 3.72Å; F687-H691 HydrophobicContact CZ-CB 3.77Å; F687-H691 AromaticContact CZ-ND1 3.79Å; F687-L692 HydrophobicContact CE1-CD2 4.36Å
688	P	93.5	Very high	94.8	Very high	52 Å²	52	29 Å²	29	34%	0.338	16%	0.157	S	C	.	.			trans	-63.8	122.2	180	-22.9	33.9	0	0	0	112.7	E684 C690 H691	E684-P688 VanDerWaalsContact OE2-CA 3.32Å; E684-P688 WeakPolarHBondContact OE2-CA 3.3Å; P688-C690 PolarHBondContact O-N 3.27Å; P688-H691 PolarHBondContact O-N 3.37Å
689	L	92.8	Very high	94.6	Very high	7 Å²	7	30.3 Å²	30.3	4%	0.037	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-61.8	-29.2	-179.7	-79.9	168.3	0	0	0	112.4	M564 R680 F683 E684 F687 H691 L692	M564-L689 HydrophobicContact CE-CD2 3.92Å; M564-L689 HydrophobicContact CG-CD2 3.8Å; R680-L689 HydrophobicContact CB-CD1 4.05Å; R680-L689 HydrophobicContact CG-CD1 3.86Å; F683-L689 HydrophobicContact CD1-CD1 4.43Å; F683-L689 HydrophobicContact CD1-CD2 3.29Å; F683-L689 HydrophobicContact CD1-CG 3.47Å; F683-L689 VanDerWaalsContact CD1-CG 3.47Å; F683-L689 HydrophobicContact CD2-CD2 4.39Å; F683-L689 HydrophobicContact CE1-CD2 3.37Å; F683-L689 HydrophobicContact CE1-CG 3.85Å; F683-L689 HydrophobicContact CG-CD2 3.82Å; F683-L689 HydrophobicContact CG-CG 4.22Å; F683-L689 HydrophobicContact CZ-CD2 4.02Å; E684-L689 HydrophobicContact CG-CB 4.43Å; E684-L689 HydrophobicContact CG-CD1 3.73Å; E684-L689 HydrophobicContact CG-CG 3.97Å; E684-L689 WeakPolarHBondContact OE1-CB 3.35Å; E684-L689 PolarHBondContact OE2-N 3.23Å; F687-L689 PolarHBondContact O-N 3.14Å; L689-H691 PolarHBondContact O-N 2.82Å; L689-H691 VanDerWaalsContact O-N 3.09Å; L689-L692 HydrophobicContact CD2-CD1 4Å; L689-L692 WeakPolarHBondContact O-CB 3.47Å; L689-L692 PolarHBondContact O-N 2.88Å
690	C	91.6	Very high	94.3	Very high	70 Å²	70	30.3 Å²	30.3	47%	0.473	16%	0.163	S	C	.	.	G	3₁₀ helix	trans	-61.4	-20.2	-179.5	67.7	0	0	0	0	113.4	P688 L692 Q693	P688-C690 PolarHBondContact O-N 3.27Å; C690-L692 PolarHBondContact O-N 3.23Å; C690-Q693 WeakPolarHBondContact O-CB 3.47Å; C690-Q693 VanDerWaalsContact O-CG 3.22Å; C690-Q693 WeakPolarHBondContact O-CG 3.4Å; C690-Q693 PolarHBondContact O-N 2.98Å; C690-Q693 PolarHBondContact O-NE2 3.33Å
691	H	92.8	Very high	94	Very high	47 Å²	47	30 Å²	30	22%	0.218	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-70.3	-20.2	173.7	-68	162.6	0	0	0	112.8	F389 A393 F687 P688 L689 Q693 Y694	F389-H691 HydrophobicContact CD2-CB 4.39Å; F389-H691 VanDerWaalsContact CD2-O 3.3Å; F389-H691 WeakPolarHBondContact CD2-O 3.28Å; F389-H691 HydrophobicContact CE2-CB 3.92Å; A393-H691 HydrophobicContact CB-CB 3.69Å; A393-H691 WeakPolarHBondContact CB-ND1 3.31Å; F687-H691 HydrophobicContact CE1-CB 3.72Å; F687-H691 HydrophobicContact CZ-CB 3.77Å; F687-H691 AromaticContact CZ-ND1 3.79Å; P688-H691 PolarHBondContact O-N 3.37Å; L689-H691 PolarHBondContact O-N 2.82Å; L689-H691 VanDerWaalsContact O-N 3.09Å; H691-Q693 PolarHBondContact O-N 3.38Å; H691-Y694 WeakPolarHBondContact O-CD2 3.26Å
692	L	94.4	Very high	93.5	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-78.5	-3.6	177.9	-60.9	179.3	0	0	0	114	F389 I546 M564 L565 F683 F687 L689 C690 Y694 F695 L700 L703	F389-L692 HydrophobicContact CE2-CD2 3.83Å; F389-L692 HydrophobicContact CZ-CD2 3.82Å; I546-L692 HydrophobicContact CD1-CD2 4.27Å; M564-L692 HydrophobicContact CE-CD1 3.24Å; M564-L692 HydrophobicContact SD-CD1 4.19Å; L565-L692 HydrophobicContact CD2-CB 3.85Å; F683-L692 HydrophobicContact CE1-CD1 4.26Å; F683-L692 HydrophobicContact CZ-CD1 3.88Å; F687-L692 HydrophobicContact CE1-CD2 4.36Å; L689-L692 HydrophobicContact CD2-CD1 4Å; L689-L692 WeakPolarHBondContact O-CB 3.47Å; L689-L692 PolarHBondContact O-N 2.88Å; C690-L692 PolarHBondContact O-N 3.23Å; L692-Y694 PolarHBondContact O-N 2.83Å; L692-F695 PolarHBondContact O-N 3.33Å; L692-L700 HydrophobicContact CB-CD2 4.41Å; L692-L700 HydrophobicContact CD1-CD2 4.46Å; L692-L703 HydrophobicContact CD2-CD2 3.77Å
693	Q	89.9	Confident	93.2	Very high	76 Å²	76	29.4 Å²	29.4	36%	0.355	16%	0.156	S	C	.	.	G	3₁₀ helix	trans	-61.8	-10.7	-179.8	76.6	-167.6	-44.4	0	0	114.4	K374 C690 H691 F695	K374-Q693 HydrophobicContact CB-CG 4.13Å; K374-Q693 HydrophobicContact CD-CG 4.35Å; K374-Q693 HydrophobicContact CG-CG 3.76Å; C690-Q693 WeakPolarHBondContact O-CB 3.47Å; C690-Q693 VanDerWaalsContact O-CG 3.22Å; C690-Q693 WeakPolarHBondContact O-CG 3.4Å; C690-Q693 PolarHBondContact O-N 2.98Å; C690-Q693 PolarHBondContact O-NE2 3.33Å; H691-Q693 PolarHBondContact O-N 3.38Å; Q693-F695 PolarHBondContact O-N 3.08Å
694	Y	93.9	Very high	92.9	Very high	1 Å²	1	29.5 Å²	29.5	0%	0.004	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-67.6	-19.6	170.7	-65.5	-73.2	0	0	0	112.4	G373 K374 P377 R385 L388 F389 T392 H691 L692	G373-Y694 WeakPolarHBondContact O-CD1 3.33Å; K374-Y694 WeakPolarHBondContact CE-OH 3.36Å; K374-Y694 HydrophobicContact CG-CD1 4.23Å; K374-Y694 HydrophobicContact CG-CE1 3.63Å; P377-Y694 WeakPolarHBondContact CB-O 3.36Å; R385-Y694 WeakPolarHBondContact CD-O 3.18Å; R385-Y694 PolarHBondContact NH1-O 2.82Å; L388-Y694 HydrophobicContact CD2-CD1 4.05Å; L388-Y694 HydrophobicContact CD2-CE1 3.62Å; L388-Y694 HydrophobicContact CG-CD1 4.42Å; L388-Y694 HydrophobicContact CG-CE1 3.9Å; F389-Y694 HydrophobicContact CB-CD2 3.97Å; F389-Y694 HydrophobicContact CD2-CD2 4.09Å; T392-Y694 PolarHBondContact OG1-OH 3.44Å; H691-Y694 WeakPolarHBondContact O-CD2 3.26Å; L692-Y694 PolarHBondContact O-N 2.83Å
695	F	96	Very high	92.5	Very high	6 Å²	6	26 Å²	26	3%	0.026	14%	0.141	C	C	.	.	S	Bend	trans	-115.4	149.6	-172.6	-51.4	-76.4	0	0	0	112.7	F382 R385 Q386 F389 L692 Q693 E699 L700 L703	F382-F695 AromaticContact CD2-CD1 3.96Å; F382-F695 HydrophobicContact CD2-CD1 3.96Å; F382-F695 HydrophobicContact CD2-CE1 4.16Å; F382-F695 AromaticContact CE2-CD1 3.52Å; F382-F695 HydrophobicContact CE2-CD1 3.52Å; F382-F695 AromaticContact CE2-CE1 3.67Å; F382-F695 HydrophobicContact CE2-CE1 3.67Å; F382-F695 HydrophobicContact CZ-CD1 4.31Å; F382-F695 HydrophobicContact CZ-CE1 4.06Å; R385-F695 HydrophobicContact CB-CE1 4.32Å; Q386-F695 HydrophobicContact CB-CE1 4.26Å; Q386-F695 HydrophobicContact CB-CZ 4.35Å; Q386-F695 HydrophobicContact CG-CZ 4.45Å; F389-F695 HydrophobicContact CB-CE2 3.84Å; F389-F695 HydrophobicContact CB-CZ 3.76Å; F389-F695 AromaticContact CD1-CE2 3.92Å; F389-F695 HydrophobicContact CD1-CE2 3.92Å; F389-F695 HydrophobicContact CD1-CZ 4.05Å; F389-F695 AromaticContact CD2-CE2 3.98Å; F389-F695 HydrophobicContact CD2-CE2 3.98Å; F389-F695 HydrophobicContact CE1-CE2 4.45Å; F389-F695 HydrophobicContact CE2-CE2 4.49Å; F389-F695 AromaticContact CG-CE2 3.64Å; F389-F695 HydrophobicContact CG-CE2 3.64Å; F389-F695 AromaticContact CG-CZ 3.93Å; F389-F695 HydrophobicContact CG-CZ 3.93Å; L692-F695 PolarHBondContact O-N 3.33Å; Q693-F695 PolarHBondContact O-N 3.08Å; F695-E699 HydrophobicContact CB-CB 4.42Å; F695-L700 HydrophobicContact CB-CD2 3.89Å; F695-L700 HydrophobicContact CD2-CD2 4.36Å; F695-L700 HydrophobicContact CG-CD2 4.43Å; F695-L703 HydrophobicContact CD2-CD2 3.77Å; F695-L703 HydrophobicContact CE2-CD1 4.35Å; F695-L703 HydrophobicContact CE2-CD2 3.56Å; F695-L703 HydrophobicContact CG-CD2 4.49Å; F695-L703 HydrophobicContact CZ-CD1 4.11Å; F695-L703 HydrophobicContact CZ-CD2 4.12Å
696	Y	94.1	Very high	92.1	Very high	13 Å²	13	23.3 Å²	23.3	5%	0.051	12%	0.122	C	C	.	.			trans	-82.1	156.5	168.9	-61.3	-69.1	0	0	0	110.9	H317 T338 P377 E698 E699 L700	H317-Y696 AromaticContact CE1-CZ 3.82Å; H317-Y696 PolarHBondContact CE1-OH 3.25Å; H317-Y696 PolarHBondContact NE2-OH 3.22Å; T338-Y696 HydrophobicContact CG2-CE2 4.19Å; P377-Y696 HydrophobicContact CG-CE1 4.3Å; P377-Y696 HydrophobicContact CG-CE2 4.4Å; Y696-E698 VanDerWaalsContact C-N 3.27Å; Y696-E698 WeakPolarHBondContact CB-OE1 3.15Å; Y696-E698 PolarHBondContact O-N 3.15Å; Y696-E699 WeakPolarHBondContact CD2-OE2 2.96Å; Y696-E699 PolarHBondContact N-OE2 3.26Å; Y696-E699 WeakPolarHBondContact O-CB 3.47Å; Y696-E699 PolarHBondContact O-N 3.33Å; Y696-L700 PolarHBondContact O-N 3.27Å
697	P	93.6	Very high	91.5	Very high	2 Å²	2	23.3 Å²	23.3	1%	0.013	12%	0.123	C	C	.	.	G	3₁₀ helix	trans	-51.7	-42.1	-178.8	-25.3	31.1	0	0	0	114.1	L558 Y561 K562 L565 E699 L700	L558-P697 HydrophobicContact CD1-CB 3.8Å; Y561-P697 VanDerWaalsContact CB-O 3.32Å; Y561-P697 WeakPolarHBondContact CB-O 3.31Å; K562-P697 HydrophobicContact CG-CB 3.91Å; K562-P697 HydrophobicContact CG-CG 3.96Å; L565-P697 HydrophobicContact CD1-CB 4.44Å; L565-P697 HydrophobicContact CD1-CG 3.97Å; P697-E699 PolarHBondContact O-N 3.21Å; P697-L700 PolarHBondContact O-N 2.78Å
698	E	90	Very high	90.2	Very high	79 Å²	79	30 Å²	30	37%	0.369	15%	0.152	S	C	.	.	G	3₁₀ helix	trans	-67.6	-19.1	-179.3	63.1	-85.4	-162.8	0	0	114	R321 L558 Y696	R321-E698 IonicContact CZ-OE1 2.85Å; R321-E698 IonicContact NH1-OE1 2.94Å; R321-E698 PolarHBondContact NH1-OE1 3.18Å; R321-E698 IonicContact NH2-OE1 3.5Å; R321-E698 PolarHBondContact NH2-OE1 3.45Å; R321-E698 IonicContact NH2-OE2 3.99Å; R321-E698 PolarHBondContact NH2-OE2 3.44Å; L558-E698 HydrophobicContact CD1-CB 3.95Å; Y696-E698 VanDerWaalsContact C-N 3.27Å; Y696-E698 WeakPolarHBondContact CB-OE1 3.15Å; Y696-E698 PolarHBondContact O-N 3.15Å
699	E	93.3	Very high	88.5	Confident	30 Å²	30	31.6 Å²	31.6	14%	0.14	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-92.4	-16.3	-179.2	-54.8	177.4	139	0	0	112.3	F382 R385 F695 Y696 P697 D701 Q702 L703	F382-E699 HydrophobicContact CD2-CB 4.03Å; F382-E699 HydrophobicContact CD2-CG 4.39Å; F382-E699 HydrophobicContact CE2-CB 3.84Å; R385-E699 IonicContact CZ-OE1 2.85Å; R385-E699 IonicContact CZ-OE2 3.43Å; R385-E699 IonicContact NH1-OE1 2.67Å; R385-E699 IonicContact NH1-OE2 3.19Å; R385-E699 PolarHBondContact NH1-OE2 3.06Å; R385-E699 VanDerWaalsContact NH2-CD 3.28Å; R385-E699 IonicContact NH2-OE1 2.7Å; R385-E699 PolarHBondContact NH2-OE1 3.37Å; R385-E699 IonicContact NH2-OE2 3.57Å; R385-E699 PolarHBondContact NH2-OE2 3.35Å; F695-E699 HydrophobicContact CB-CB 4.42Å; Y696-E699 WeakPolarHBondContact CD2-OE2 2.96Å; Y696-E699 PolarHBondContact N-OE2 3.26Å; Y696-E699 WeakPolarHBondContact O-CB 3.47Å; Y696-E699 PolarHBondContact O-N 3.33Å; P697-E699 PolarHBondContact O-N 3.21Å; E699-D701 PolarHBondContact O-N 3.16Å; E699-Q702 WeakPolarHBondContact O-CB 3.45Å; E699-Q702 PolarHBondContact O-N 3.31Å; E699-Q702 VanDerWaalsContact O-N 3.1Å; E699-L703 PolarHBondContact O-N 3.45Å
700	L	93.8	Very high	87.2	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-64.7	-30.2	179.5	-72.1	-174.5	0	0	0	112.4	Y561 M564 L565 L692 F695 Y696 P697 Q702 L703 L704	Y561-L700 HydrophobicContact CD1-CB 3.49Å; Y561-L700 VanDerWaalsContact CD1-CB 3.49Å; Y561-L700 HydrophobicContact CD1-CD1 4.02Å; Y561-L700 HydrophobicContact CD1-CG 4.42Å; Y561-L700 HydrophobicContact CE1-CB 3.92Å; Y561-L700 HydrophobicContact CG-CB 3.94Å; Y561-L700 HydrophobicContact CG-CD1 4.43Å; M564-L700 HydrophobicContact CG-CD1 4.47Å; M564-L700 HydrophobicContact SD-CD1 3.89Å; L565-L700 HydrophobicContact CD1-CD1 3.73Å; L565-L700 HydrophobicContact CD1-CG 4.37Å; L565-L700 HydrophobicContact CD2-CD1 3.92Å; L565-L700 HydrophobicContact CG-CD1 3.63Å; L692-L700 HydrophobicContact CB-CD2 4.41Å; L692-L700 HydrophobicContact CD1-CD2 4.46Å; F695-L700 HydrophobicContact CB-CD2 3.89Å; F695-L700 HydrophobicContact CD2-CD2 4.36Å; F695-L700 HydrophobicContact CG-CD2 4.43Å; Y696-L700 PolarHBondContact O-N 3.27Å; P697-L700 PolarHBondContact O-N 2.78Å; L700-Q702 VanDerWaalsContact C-N 3.3Å; L700-Q702 PolarHBondContact O-N 3.47Å; L700-L703 HydrophobicContact CD2-CD2 4.16Å; L700-L703 PolarHBondContact O-N 3.09Å; L700-L704 HydrophobicContact CB-CD1 4.29Å; L700-L704 VanDerWaalsContact O-CB 3.31Å; L700-L704 WeakPolarHBondContact O-CB 3.2Å; L700-L704 WeakPolarHBondContact O-CD1 3.31Å; L700-L704 WeakPolarHBondContact O-CG 3.27Å; L700-L704 PolarHBondContact O-N 3.12Å
701	D	90.1	Very high	86.4	Confident	3 Å²	3	34.3 Å²	34.3	2%	0.016	18%	0.183	C	C	.	.	H	α-helix	trans	-61.3	-41.8	172.8	-164.7	88.4	0	0	0	111.4	Y561 E699 L703 L704 C705 G706 K708 R761	Y561-D701 HydrophobicContact CE2-CB 3.8Å; Y561-D701 WeakPolarHBondContact OH-CA 3.37Å; Y561-D701 WeakPolarHBondContact OH-CB 3.33Å; Y561-D701 PolarHBondContact OH-OD1 3.45Å; E699-D701 PolarHBondContact O-N 3.16Å; D701-L703 VanDerWaalsContact C-N 3.33Å; D701-L703 PolarHBondContact O-N 2.79Å; D701-L704 PolarHBondContact O-N 3.11Å; D701-C705 WeakPolarHBondContact O-CA 3.46Å; D701-C705 WeakPolarHBondContact O-CB 3.1Å; D701-C705 PolarHBondContact O-N 2.78Å; D701-G706 PolarHBondContact O-N 2.98Å; D701-K708 WeakPolarHBondContact OD2-CE 3.3Å; D701-K708 IonicContact OD2-NZ 2.65Å; D701-R761 IonicContact OD2-NH1 3.71Å; D701-R761 PolarHBondContact OD2-NH1 2.96Å
702	Q	89.1	Confident	86.2	Confident	64 Å²	64	32.8 Å²	32.8	30%	0.299	18%	0.175	S	C	.	.	H	α-helix	trans	-64.8	-39.3	177.6	-175.6	175.2	-2.9	0	0	111.5	F382 E699 L700 G706 V764	F382-Q702 HydrophobicContact CE1-CG 4.05Å; F382-Q702 HydrophobicContact CZ-CB 4.22Å; F382-Q702 HydrophobicContact CZ-CG 4.02Å; E699-Q702 WeakPolarHBondContact O-CB 3.45Å; E699-Q702 PolarHBondContact O-N 3.31Å; E699-Q702 VanDerWaalsContact O-N 3.1Å; L700-Q702 VanDerWaalsContact C-N 3.3Å; L700-Q702 PolarHBondContact O-N 3.47Å; Q702-G706 WeakPolarHBondContact CA-O 3.46Å; Q702-G706 WeakPolarHBondContact O-CA 3.1Å; Q702-G706 PolarHBondContact O-N 3.42Å; Q702-V764 HydrophobicContact CG-CG1 4.41Å; Q702-V764 HydrophobicContact CG-CG2 3.89Å; Q702-V764 WeakPolarHBondContact O-CG2 3.41Å
703	L	91.1	Very high	85.9	Confident	8 Å²	8	35.7 Å²	35.7	4%	0.042	19%	0.191	C	C	.	.	H	α-helix	trans	-67.6	-42.4	178	-177.4	67.4	0	0	0	113	F382 Q386 F389 L692 F695 E699 L700 D701	F382-L703 HydrophobicContact CZ-CB 4.39Å; Q386-L703 HydrophobicContact CG-CD1 4.27Å; F389-L703 HydrophobicContact CD1-CD1 4.5Å; F389-L703 HydrophobicContact CE1-CD1 4.33Å; F389-L703 HydrophobicContact CE1-CD2 4.38Å; L692-L703 HydrophobicContact CD2-CD2 3.77Å; F695-L703 HydrophobicContact CD2-CD2 3.77Å; F695-L703 HydrophobicContact CE2-CD1 4.35Å; F695-L703 HydrophobicContact CE2-CD2 3.56Å; F695-L703 HydrophobicContact CG-CD2 4.49Å; F695-L703 HydrophobicContact CZ-CD1 4.11Å; F695-L703 HydrophobicContact CZ-CD2 4.12Å; E699-L703 PolarHBondContact O-N 3.45Å; L700-L703 HydrophobicContact CD2-CD2 4.16Å; L700-L703 PolarHBondContact O-N 3.09Å; D701-L703 VanDerWaalsContact C-N 3.33Å; D701-L703 PolarHBondContact O-N 2.79Å
704	L	91.7	Very high	85.8	Confident	2 Å²	2	34.2 Å²	34.2	1%	0.01	19%	0.192	C	C	.	.	H	α-helix	trans	-91.2	-39	-171.2	-76.4	158.8	0	0	0	113.4	M542 I546 L551 V552 Y561 M564 L700 D701	M542-L704 HydrophobicContact CB-CD2 4.28Å; M542-L704 HydrophobicContact CE-CB 4.41Å; M542-L704 HydrophobicContact CE-CD1 3.42Å; M542-L704 VanDerWaalsContact CE-CD1 3.42Å; M542-L704 HydrophobicContact CE-CD2 3.71Å; M542-L704 HydrophobicContact CE-CG 4.06Å; I546-L704 HydrophobicContact CD1-CD2 3.46Å; I546-L704 VanDerWaalsContact CD1-CD2 3.46Å; I546-L704 HydrophobicContact CD1-CG 4.35Å; I546-L704 HydrophobicContact CG1-CD2 3.67Å; L551-L704 CarbonylContact C-O 3.57Å; L551-L704 VanDerWaalsContact CA-O 3.31Å; L551-L704 WeakPolarHBondContact CA-O 3.41Å; V552-L704 PolarHBondContact N-O 3.16Å; Y561-L704 HydrophobicContact CD1-CD1 4.35Å; Y561-L704 HydrophobicContact CE1-CD1 3.75Å; M564-L704 HydrophobicContact CE-CD1 4.2Å; M564-L704 HydrophobicContact SD-CD1 4.03Å; L700-L704 HydrophobicContact CB-CD1 4.29Å; L700-L704 VanDerWaalsContact O-CB 3.31Å; L700-L704 WeakPolarHBondContact O-CB 3.2Å; L700-L704 WeakPolarHBondContact O-CD1 3.31Å; L700-L704 WeakPolarHBondContact O-CG 3.27Å; L700-L704 PolarHBondContact O-N 3.12Å; D701-L704 PolarHBondContact O-N 3.11Å
705	C	87.9	Confident	85.6	Confident	1 Å²	1	41.1 Å²	41.1	1%	0.007	22%	0.222	C	C	.	.	H	α-helix	trans	-107.4	-17.7	-170.6	-50.5	0	0	0	0	111.6	V552 L554 D701 R761	V552-C705 PolarHBondContact O-SG 2.94Å; L554-C705 PolarHBondContact O-SG 3.48Å; L554-C705 VanDerWaalsContact O-SG 3.39Å; D701-C705 WeakPolarHBondContact O-CA 3.46Å; D701-C705 WeakPolarHBondContact O-CB 3.1Å; D701-C705 PolarHBondContact O-N 2.78Å; C705-R761 VanDerWaalsContact CB-NH1 3.34Å; C705-R761 WeakPolarHBondContact O-CB 3.42Å; C705-R761 WeakPolarHBondContact O-CD 3.16Å
706	G	86.3	Confident	85.3	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.229	C	C	.	.			trans	97.9	-167.3	179.3	0	0	0	0	0	113.4	D701 Q702 K708 L762	D701-G706 PolarHBondContact O-N 2.98Å; Q702-G706 WeakPolarHBondContact CA-O 3.46Å; Q702-G706 WeakPolarHBondContact O-CA 3.1Å; Q702-G706 PolarHBondContact O-N 3.42Å; G706-K708 PolarHBondContact O-N 3.16Å; G706-L762 WeakPolarHBondContact CA-O 3.38Å
707	S	81.6	Confident	85.1	Confident	22 Å²	22	41.7 Å²	41.7	15%	0.154	23%	0.227	C	C	.	.			trans	-65.9	133	-173.2	-167.5	0	0	0	0	112.2	D710 L762	S707-D710 WeakPolarHBondContact CB-OD1 3.48Å; S707-D710 VanDerWaalsContact CB-OD2 3.24Å; S707-D710 WeakPolarHBondContact CB-OD2 3.24Å; S707-D710 PolarHBondContact OG-OD1 2.96Å; S707-D710 PolarHBondContact OG-OD2 3.21Å; S707-L762 PolarHBondContact N-O 3.5Å
708	K	65.9	Low	85	Confident	146 Å²	146	44.7 Å²	44.7	64%	0.635	24%	0.242	S	C	*	.	S	Bend	trans	-89.1	-22.9	173.6	-74.5	-169.7	-179.7	-179.3	0	113.5	D701 G706	D701-K708 WeakPolarHBondContact OD2-CE 3.3Å; D701-K708 IonicContact OD2-NZ 2.65Å; G706-K708 PolarHBondContact O-N 3.16Å
709	A	58.6	Low	85	Confident	86 Å²	86	45.9 Å²	45.9	71%	0.711	25%	0.247	S	C	*	.			trans	-145.1	66.7	-164	0	0	0	0	0	110.3
710	D	66	Low	84.8	Confident	44 Å²	44	45.3 Å²	45.3	24%	0.235	25%	0.246	C	C	.	.			trans	-86.9	133	166.7	-64.9	-32.9	0	0	0	108.7	S707 W712 L762 G766	S707-D710 WeakPolarHBondContact CB-OD1 3.48Å; S707-D710 VanDerWaalsContact CB-OD2 3.24Å; S707-D710 WeakPolarHBondContact CB-OD2 3.24Å; S707-D710 PolarHBondContact OG-OD1 2.96Å; S707-D710 PolarHBondContact OG-OD2 3.21Å; D710-W712 PolarHBondContact O-N 2.74Å; D710-L762 HydrophobicContact CB-CD1 4.3Å; D710-L762 WeakPolarHBondContact OD2-CB 3.34Å; D710-L762 WeakPolarHBondContact OD2-CD1 3.3Å; D710-G766 VanDerWaalsContact CG-CA 3.47Å; D710-G766 VanDerWaalsContact OD1-CA 3.3Å; D710-G766 WeakPolarHBondContact OD1-CA 3.45Å; D710-G766 VanDerWaalsContact OD2-CA 3.24Å; D710-G766 WeakPolarHBondContact OD2-CA 3.46Å
711	T	75.3	Confident	84.7	Confident	90 Å²	90	45.5 Å²	45.5	55%	0.552	25%	0.248	S	C	*	.			trans	-79.8	112.5	170.8	55.1	0	0	0	0	108.1	D713	T711-D713 VanDerWaalsContact CB-OD2 3.26Å; T711-D713 WeakPolarHBondContact CB-OD2 3.28Å; T711-D713 PolarHBondContact O-N 3.43Å; T711-D713 VanDerWaalsContact O-N 3.11Å; T711-D713 PolarHBondContact OG1-OD2 3.02Å
712	W	87.9	Confident	84.9	Confident	15 Å²	15	52.3 Å²	52.3	6%	0.057	27%	0.273	C	S	.	.			trans	-81.4	29.4	174.7	-76.4	54.5	0	0	0	111.8	D710 L741 S742 Q749 F752 L753 F767	D710-W712 PolarHBondContact O-N 2.74Å; W712-L741 HydrophobicContact CE3-CB 3.91Å; W712-L741 HydrophobicContact CZ3-CB 4.14Å; W712-L741 HydrophobicContact CZ3-CD2 4.07Å; W712-L741 HydrophobicContact CZ3-CG 4.45Å; W712-S742 WeakPolarHBondContact O-CA 3.49Å; W712-S742 WeakPolarHBondContact O-CB 3.15Å; W712-Q749 HydrophobicContact CD2-CB 4.31Å; W712-Q749 VanDerWaalsContact CD2-CD 3.49Å; W712-Q749 HydrophobicContact CD2-CG 3.67Å; W712-Q749 HydrophobicContact CE3-CB 4.35Å; W712-Q749 HydrophobicContact CE3-CG 3.63Å; W712-Q749 HydrophobicContact CG-CG 4.28Å; W712-Q749 HydrophobicContact CH2-CB 3.64Å; W712-Q749 HydrophobicContact CH2-CG 3.86Å; W712-Q749 WeakPolarHBondContact CH2-O 3.46Å; W712-Q749 HydrophobicContact CZ2-CB 3.6Å; W712-Q749 HydrophobicContact CZ2-CG 3.91Å; W712-Q749 HydrophobicContact CZ3-CB 4.03Å; W712-Q749 HydrophobicContact CZ3-CG 3.73Å; W712-F752 AromaticContact CH2-CD1 3.78Å; W712-F752 HydrophobicContact CH2-CD1 3.78Å; W712-F752 AromaticContact CZ3-CD1 3.89Å; W712-F752 HydrophobicContact CZ3-CD1 3.89Å; W712-F752 HydrophobicContact CZ3-CE1 4.48Å; W712-L753 HydrophobicContact CH2-CD1 4.43Å; W712-L753 HydrophobicContact CH2-CD2 3.96Å; W712-L753 HydrophobicContact CH2-CG 3.78Å; W712-L753 HydrophobicContact CZ2-CD1 3.76Å; W712-L753 HydrophobicContact CZ2-CD2 3.79Å; W712-L753 HydrophobicContact CZ2-CG 3.59Å; W712-F767 AromaticContact CD2-CE2 3.89Å; W712-F767 HydrophobicContact CD2-CE2 3.89Å; W712-F767 HydrophobicContact CD2-CZ 4.04Å; W712-F767 AromaticContact CE2-CE2 3.67Å; W712-F767 AromaticContact CE2-CZ 3.77Å; W712-F767 HydrophobicContact CE3-CE2 4.49Å; W712-F767 HydrophobicContact CE3-CZ 4.25Å; W712-F767 HydrophobicContact CG-CE2 4.19Å; W712-F767 HydrophobicContact CH2-CZ 4.01Å; W712-F767 HydrophobicContact CZ2-CE2 4.11Å; W712-F767 AromaticContact CZ2-CZ 3.76Å; W712-F767 HydrophobicContact CZ2-CZ 3.76Å; W712-F767 HydrophobicContact CZ3-CZ 4.24Å; W712-F767 AromaticContact NE1-CE2 3.78Å
713	D	88.1	Confident	85.2	Confident	61 Å²	61	50 Å²	50	33%	0.326	26%	0.263	S	S	.	.			trans	-68.7	148.9	178	70.7	87.9	0	0	0	110.5	T711 K715 T716 L717	T711-D713 VanDerWaalsContact CB-OD2 3.26Å; T711-D713 WeakPolarHBondContact CB-OD2 3.28Å; T711-D713 PolarHBondContact O-N 3.43Å; T711-D713 VanDerWaalsContact O-N 3.11Å; T711-D713 PolarHBondContact OG1-OD2 3.02Å; D713-K715 PolarHBondContact O-N 2.89Å; D713-K715 VanDerWaalsContact O-N 3.12Å; D713-K715 VanDerWaalsContact OD1-CB 3.3Å; D713-K715 WeakPolarHBondContact OD1-CB 3.38Å; D713-K715 PolarHBondContact OD1-N 2.89Å; D713-K715 VanDerWaalsContact OD1-N 3.14Å; D713-T716 VanDerWaalsContact CG-OG1 3.29Å; D713-T716 PolarHBondContact O-N 3.22Å; D713-T716 VanDerWaalsContact O-N 3.13Å; D713-T716 PolarHBondContact OD1-N 3.25Å; D713-T716 PolarHBondContact OD1-OG1 2.68Å; D713-T716 WeakPolarHBondContact OD2-CB 3.45Å; D713-T716 PolarHBondContact OD2-OG1 2.91Å; D713-L717 PolarHBondContact O-N 3.15Å
714	A	87.8	Confident	85.3	Confident	46 Å²	46	51.5 Å²	51.5	38%	0.38	27%	0.272	S	S	.	.	H	α-helix	trans	-59.2	-28.9	-174.4	0	0	0	0	0	113.2	M718 F738	A714-M718 VanDerWaalsContact O-CB 3.23Å; A714-M718 WeakPolarHBondContact O-CB 3.48Å; A714-M718 PolarHBondContact O-N 3.05Å; A714-F738 HydrophobicContact CB-CB 4.4Å
715	K	89.8	Confident	85.2	Confident	146 Å²	146	57.4 Å²	57.4	64%	0.635	30%	0.299	S	S	*	.	H	α-helix	trans	-69.7	-47.9	178.1	177.8	-173.7	173.2	-174.2	0	110.2	D713 L717 M718 E719	D713-K715 PolarHBondContact O-N 2.89Å; D713-K715 VanDerWaalsContact O-N 3.12Å; D713-K715 VanDerWaalsContact OD1-CB 3.3Å; D713-K715 WeakPolarHBondContact OD1-CB 3.38Å; D713-K715 PolarHBondContact OD1-N 2.89Å; D713-K715 VanDerWaalsContact OD1-N 3.14Å; K715-L717 VanDerWaalsContact C-N 3.35Å; K715-L717 PolarHBondContact O-N 3.21Å; K715-M718 WeakPolarHBondContact O-CB 3.49Å; K715-M718 PolarHBondContact O-N 3.45Å; K715-E719 WeakPolarHBondContact CE-OE1 3.17Å; K715-E719 WeakPolarHBondContact O-CG 3.26Å; K715-E719 PolarHBondContact O-N 2.7Å
716	T	88.7	Confident	85.4	Confident	30 Å²	30	60 Å²	60	18%	0.184	33%	0.326	C	S	.	.	H	α-helix	trans	-59	-46.6	175.9	-61	0	0	0	0	111.2	D713 M718 E719 C720	D713-T716 VanDerWaalsContact CG-OG1 3.29Å; D713-T716 PolarHBondContact O-N 3.22Å; D713-T716 VanDerWaalsContact O-N 3.13Å; D713-T716 PolarHBondContact OD1-N 3.25Å; D713-T716 PolarHBondContact OD1-OG1 2.68Å; D713-T716 WeakPolarHBondContact OD2-CB 3.45Å; D713-T716 PolarHBondContact OD2-OG1 2.91Å; T716-M718 VanDerWaalsContact C-N 3.33Å; T716-M718 PolarHBondContact O-N 2.92Å; T716-E719 PolarHBondContact O-N 3.3Å; T716-C720 WeakPolarHBondContact O-CB 3.44Å; T716-C720 PolarHBondContact O-N 3.12Å; T716-C720 VanDerWaalsContact O-N 3.09Å; T716-C720 PolarHBondContact O-SG 2.88Å
717	L	91.4	Very high	85.9	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-60.5	-41.4	177.4	-67.5	171.6	0	0	0	112.4	D713 K715 C720 C721 F738 L741 F767	D713-L717 PolarHBondContact O-N 3.15Å; K715-L717 VanDerWaalsContact C-N 3.35Å; K715-L717 PolarHBondContact O-N 3.21Å; L717-C720 PolarHBondContact O-N 2.94Å; L717-C721 VanDerWaalsContact O-CB 3.3Å; L717-C721 WeakPolarHBondContact O-CB 3.4Å; L717-C721 PolarHBondContact O-N 3.45Å; L717-C721 PolarHBondContact O-SG 2.73Å; L717-C721 VanDerWaalsContact O-SG 3.37Å; L717-F738 HydrophobicContact CB-CB 4.36Å; L717-F738 HydrophobicContact CB-CD1 3.71Å; L717-F738 HydrophobicContact CB-CD2 4.42Å; L717-F738 HydrophobicContact CB-CE1 4.05Å; L717-F738 HydrophobicContact CB-CG 3.92Å; L717-F738 HydrophobicContact CD1-CB 4.22Å; L717-F738 HydrophobicContact CD1-CD1 4.19Å; L717-F738 HydrophobicContact CD1-CG 4.47Å; L717-F738 HydrophobicContact CG-CD1 4.5Å; L717-L741 HydrophobicContact CD1-CB 3.72Å; L717-L741 HydrophobicContact CD1-CD1 4.31Å; L717-F767 HydrophobicContact CD2-CD1 4.47Å; L717-F767 HydrophobicContact CD2-CD2 3.95Å; L717-F767 HydrophobicContact CD2-CE1 4.09Å; L717-F767 HydrophobicContact CD2-CE2 3.51Å; L717-F767 HydrophobicContact CD2-CG 4.41Å; L717-F767 HydrophobicContact CD2-CZ 3.59Å
718	M	90.6	Very high	86.6	Confident	65 Å²	65	63.2 Å²	63.2	32%	0.32	34%	0.344	S	S	.	.	H	α-helix	trans	-63.5	-38.4	176.5	-169.1	76.6	74.9	0	0	112.7	A714 K715 T716 H729 F738	A714-M718 VanDerWaalsContact O-CB 3.23Å; A714-M718 WeakPolarHBondContact O-CB 3.48Å; A714-M718 PolarHBondContact O-N 3.05Å; K715-M718 WeakPolarHBondContact O-CB 3.49Å; K715-M718 PolarHBondContact O-N 3.45Å; T716-M718 VanDerWaalsContact C-N 3.33Å; T716-M718 PolarHBondContact O-N 2.92Å; M718-H729 PolarHBondContact O-CE1 3Å; M718-H729 HydrophobicContact SD-CB 3.57Å; M718-H729 VanDerWaalsContact SD-CB 3.57Å; M718-H729 VanDerWaalsContact SD-CG 3.59Å; M718-H729 PolarHBondContact SD-ND1 2.96Å; M718-F738 HydrophobicContact CB-CD2 4.38Å; M718-F738 HydrophobicContact CB-CE2 4.21Å; M718-F738 HydrophobicContact CE-CD2 3.95Å; M718-F738 HydrophobicContact CE-CE2 4.17Å; M718-F738 HydrophobicContact SD-CD2 4.07Å; M718-F738 HydrophobicContact SD-CE2 3.68Å
719	E	89.8	Confident	87.9	Confident	105 Å²	105	59.7 Å²	59.7	49%	0.491	33%	0.329	S	S	.	.	H	α-helix	trans	-72.5	-29.4	178.4	-72.9	174.9	-174	0	0	112.8	K715 T716 R768	K715-E719 WeakPolarHBondContact CE-OE1 3.17Å; K715-E719 WeakPolarHBondContact O-CG 3.26Å; K715-E719 PolarHBondContact O-N 2.7Å; T716-E719 PolarHBondContact O-N 3.3Å; E719-R768 IonicContact OE2-CZ 3.31Å; E719-R768 IonicContact OE2-NH2 2.78Å; E719-R768 PolarHBondContact OE2-NH2 3.4Å
720	C	89.6	Confident	89.6	Confident	17 Å²	17	61.5 Å²	61.5	12%	0.115	33%	0.327	C	S	.	.	H	α-helix	trans	-104.6	-29.2	-168.3	-54.3	0	0	0	0	114.3	T716 L717 F767 R768	T716-C720 WeakPolarHBondContact O-CB 3.44Å; T716-C720 PolarHBondContact O-N 3.12Å; T716-C720 VanDerWaalsContact O-N 3.09Å; T716-C720 PolarHBondContact O-SG 2.88Å; L717-C720 PolarHBondContact O-N 2.94Å; C720-F767 HydrophobicContact CB-CB 3.57Å; C720-R768 HydrophobicContact CB-CG 4.37Å; C720-R768 WeakPolarHBondContact SG-CG 3.44Å
721	C	92.4	Very high	91.1	Very high	5 Å²	5	60.7 Å²	60.7	3%	0.034	33%	0.325	C	S	.	.			trans	-92.4	147.2	-179.4	-56.4	0	0	0	0	110.6	L717 P723 H729 F738 L774 I776	L717-C721 VanDerWaalsContact O-CB 3.3Å; L717-C721 WeakPolarHBondContact O-CB 3.4Å; L717-C721 PolarHBondContact O-N 3.45Å; L717-C721 PolarHBondContact O-SG 2.73Å; L717-C721 VanDerWaalsContact O-SG 3.37Å; C721-P723 WeakPolarHBondContact O-CD 3.43Å; C721-H729 PolarHBondContact O-CE1 2.69Å; C721-H729 VanDerWaalsContact O-CE1 3.29Å; C721-F738 HydrophobicContact CB-CE1 3.94Å; C721-F738 HydrophobicContact CB-CZ 3.8Å; C721-L774 CarbonylContact C-O 3.04Å; C721-L774 WeakPolarHBondContact CA-O 3.32Å; C721-I776 HydrophobicContact CB-CD1 3.77Å
722	R	94.1	Very high	92.1	Very high	145 Å²	145	61.7 Å²	61.7	55%	0.547	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	104.1	-176.6	-178.9	178.7	163.9	162.5	-4.2	111.5	D724 L774 T775 I776	R722-D724 IonicContact CZ-OD2 3.93Å; R722-D724 IonicContact NE-OD2 3.75Å; R722-D724 PolarHBondContact NE-OD2 3.39Å; R722-D724 IonicContact NH2-OD2 3.99Å; R722-D724 PolarHBondContact NH2-OD2 3.18Å; R722-L774 PolarHBondContact N-O 3.13Å; R722-T775 CarbonylContact O-C 3.3Å; R722-T775 WeakPolarHBondContact O-CA 3.18Å; R722-T775 WeakPolarHBondContact O-CG2 3.25Å; R722-I776 PolarHBondContact O-N 2.75Å
723	P	94.2	Very high	92.5	Very high	15 Å²	15	61 Å²	61	10%	0.097	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	137.8	165.1	-20.9	34.9	0	0	0	110.6	C721 H729 V734 I776	C721-P723 WeakPolarHBondContact O-CD 3.43Å; P723-H729 WeakPolarHBondContact CD-CE1 3.43Å; P723-H729 VanDerWaalsContact CD-NE2 3.31Å; P723-H729 WeakPolarHBondContact CD-NE2 3.13Å; P723-V734 HydrophobicContact CB-CG2 4.25Å; P723-V734 HydrophobicContact CG-CG1 3.96Å; P723-V734 HydrophobicContact CG-CG2 4.29Å; P723-I776 CarbonylContact C-O 3.57Å; P723-I776 VanDerWaalsContact CA-O 3.29Å; P723-I776 WeakPolarHBondContact CA-O 3.47Å
724	D	93.4	Very high	92.9	Very high	41 Å²	41	58.1 Å²	58.1	22%	0.219	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	173.9	178.3	-146.6	-38.3	0	0	0	110.6	R722 G726 Y727 T775 I776 V777	R722-D724 IonicContact CZ-OD2 3.93Å; R722-D724 IonicContact NE-OD2 3.75Å; R722-D724 PolarHBondContact NE-OD2 3.39Å; R722-D724 IonicContact NH2-OD2 3.99Å; R722-D724 PolarHBondContact NH2-OD2 3.18Å; D724-G726 PolarHBondContact O-N 2.82Å; D724-Y727 PolarHBondContact O-N 2.88Å; D724-T775 HydrophobicContact CB-CG2 3.9Å; D724-I776 PolarHBondContact N-O 3.14Å; D724-V777 HydrophobicContact CB-CG1 4.01Å; D724-V777 WeakPolarHBondContact O-CA 3.3Å; D724-V777 WeakPolarHBondContact O-CG1 3.43Å
725	H	90.9	Very high	93.3	Very high	125 Å²	125	60.3 Å²	60.3	58%	0.579	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	43.6	65.2	170.3	-59.5	59.9	0	0	0	113.7	V777 R778	H725-V777 HydrophobicContact CB-CB 4.05Å; H725-V777 HydrophobicContact CB-CG1 3.98Å; H725-R778 PolarHBondContact O-N 3.11Å
726	G	90.7	Very high	93.7	Very high	56 Å²	56	55.4 Å²	55.4	58%	0.577	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	96.7	-3.4	176.6	0	0	0	0	0	115.1	D724	D724-G726 PolarHBondContact O-N 2.82Å
727	Y	96.6	Very high	94.1	Very high	12 Å²	12	54 Å²	54	5%	0.047	27%	0.272	C	S	.	.			trans	-120	154.7	165.7	-71.2	-37.3	0	0	0	113	D724 A733 V734 I776 V777 R778 L803 P804 D805	D724-Y727 PolarHBondContact O-N 2.88Å; Y727-A733 HydrophobicContact CE1-CB 3.8Å; Y727-A733 HydrophobicContact CE2-CB 4.35Å; Y727-V734 HydrophobicContact CD2-CG2 4.27Å; Y727-V734 HydrophobicContact CG-CG2 4.03Å; Y727-I776 HydrophobicContact CD2-CG2 4.2Å; Y727-V777 WeakPolarHBondContact CE2-O 3.44Å; Y727-R778 HydrophobicContact CD1-CB 4.17Å; Y727-R778 HydrophobicContact CD2-CB 3.98Å; Y727-R778 HydrophobicContact CE1-CB 3.97Å; Y727-R778 HydrophobicContact CE1-CG 3.96Å; Y727-R778 HydrophobicContact CE2-CB 3.78Å; Y727-R778 HydrophobicContact CE2-CG 4.26Å; Y727-R778 HydrophobicContact CG-CB 4.16Å; Y727-L803 HydrophobicContact CE2-CB 4.12Å; Y727-L803 WeakPolarHBondContact CE2-O 3.45Å; Y727-L803 PolarHBondContact OH-O 3.27Å; Y727-P804 VanDerWaalsContact OH-C 3.27Å; Y727-P804 PolarHBondContact OH-O 2.83Å; Y727-D805 VanDerWaalsContact OH-CA 3.23Å; Y727-D805 WeakPolarHBondContact OH-CA 3.48Å; Y727-D805 WeakPolarHBondContact OH-CB 3.47Å; Y727-D805 PolarHBondContact OH-N 2.91Å; Y727-D805 VanDerWaalsContact OH-N 3.16Å
728	T	96	Very high	94.3	Very high	78 Å²	78	54.1 Å²	54.1	48%	0.479	27%	0.272	S	S	.	.			trans	-133	167.8	172	64.7	0	0	0	0	108.6	D730 S731 V734	T728-D730 PolarHBondContact O-N 3.17Å; T728-D730 VanDerWaalsContact O-N 3.07Å; T728-D730 PolarHBondContact OG1-N 3.32Å; T728-S731 PolarHBondContact N-OG 3.3Å; T728-S731 WeakPolarHBondContact O-CB 3.34Å; T728-S731 PolarHBondContact O-N 3.49Å; T728-S731 PolarHBondContact O-OG 2.8Å; T728-S731 PolarHBondContact OG1-N 3.05Å; T728-S731 PolarHBondContact OG1-OG 3.19Å; T728-V734 WeakPolarHBondContact O-CG2 3.44Å
729	H	93.9	Very high	94.6	Very high	72 Å²	72	56.3 Å²	56.3	33%	0.333	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-22.6	173	-71.3	-75.6	0	0	0	113.3	M718 C721 P723	M718-H729 PolarHBondContact O-CE1 3Å; M718-H729 HydrophobicContact SD-CB 3.57Å; M718-H729 VanDerWaalsContact SD-CB 3.57Å; M718-H729 VanDerWaalsContact SD-CG 3.59Å; M718-H729 PolarHBondContact SD-ND1 2.96Å; C721-H729 PolarHBondContact O-CE1 2.69Å; C721-H729 VanDerWaalsContact O-CE1 3.29Å; P723-H729 WeakPolarHBondContact CD-CE1 3.43Å; P723-H729 VanDerWaalsContact CD-NE2 3.31Å; P723-H729 WeakPolarHBondContact CD-NE2 3.13Å
730	D	95.1	Very high	94.9	Very high	124 Å²	124	51.3 Å²	51.3	66%	0.663	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	-13.3	177.1	-80.3	-48.6	0	0	0	115.1	T728 R732 K735	T728-D730 PolarHBondContact O-N 3.17Å; T728-D730 VanDerWaalsContact O-N 3.07Å; T728-D730 PolarHBondContact OG1-N 3.32Å; D730-R732 PolarHBondContact O-N 3.43Å; D730-K735 PolarHBondContact O-NZ 3.13Å; D730-K735 IonicContact OD1-NZ 3.33Å; D730-K735 PolarHBondContact OD1-NZ 3.45Å; D730-K735 VanDerWaalsContact OD1-NZ 3.1Å
731	S	96.8	Very high	95.1	Very high	27 Å²	27	50.5 Å²	50.5	19%	0.189	25%	0.253	C	S	.	.			trans	-62.4	134.5	-177.6	-63.2	0	0	0	0	111.1	T728 A733 V734 K735	T728-S731 PolarHBondContact N-OG 3.3Å; T728-S731 WeakPolarHBondContact O-CB 3.34Å; T728-S731 PolarHBondContact O-N 3.49Å; T728-S731 PolarHBondContact O-OG 2.8Å; T728-S731 PolarHBondContact OG1-N 3.05Å; T728-S731 PolarHBondContact OG1-OG 3.19Å; S731-A733 VanDerWaalsContact C-N 3.28Å; S731-A733 PolarHBondContact O-N 2.95Å; S731-V734 PolarHBondContact O-N 2.92Å; S731-K735 PolarHBondContact O-N 3.1Å; S731-K735 VanDerWaalsContact O-N 3.09Å
732	R	96.4	Very high	95.2	Very high	111 Å²	111	52.9 Å²	52.9	42%	0.419	27%	0.269	S	S	.	.	H	α-helix	trans	-53	-45	179.3	-178.6	-179	62.3	120.1	13.4	112.1	D730 V734 K735 F736 D805 Y806 S807	D730-R732 PolarHBondContact O-N 3.43Å; R732-V734 VanDerWaalsContact C-N 3.32Å; R732-V734 PolarHBondContact O-N 3.08Å; R732-K735 PolarHBondContact O-N 2.82Å; R732-F736 HydrophobicContact CG-CD1 4.44Å; R732-F736 HydrophobicContact CG-CD2 4.28Å; R732-F736 HydrophobicContact CG-CE1 4Å; R732-F736 HydrophobicContact CG-CE2 3.82Å; R732-F736 HydrophobicContact CG-CZ 3.68Å; R732-F736 WeakPolarHBondContact O-CG 3.15Å; R732-F736 PolarHBondContact O-N 2.63Å; R732-D805 IonicContact NH2-OD1 2.73Å; R732-D805 PolarHBondContact NH2-OD1 2.81Å; R732-D805 VanDerWaalsContact NH2-OD1 3.17Å; R732-Y806 PolarHBondContact NH2-O 3.31Å; R732-S807 PolarHBondContact NH1-O 2.98Å
733	A	95.9	Very high	95.2	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.008	26%	0.263	C	S	.	.	H	α-helix	trans	-61.8	-37	179.3	0	0	0	0	0	113.1	Y727 S731 L737 L803 M812	Y727-A733 HydrophobicContact CE1-CB 3.8Å; Y727-A733 HydrophobicContact CE2-CB 4.35Å; S731-A733 VanDerWaalsContact C-N 3.28Å; S731-A733 PolarHBondContact O-N 2.95Å; A733-L737 WeakPolarHBondContact O-CB 3.32Å; A733-L737 PolarHBondContact O-N 3.14Å; A733-L803 HydrophobicContact CB-CD2 4.42Å; A733-M812 HydrophobicContact CB-CE 3.93Å; A733-M812 WeakPolarHBondContact O-CE 3.46Å
734	V	97.3	Very high	95.2	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-70.3	-41.7	177.6	175.7	0	0	0	0	110.9	P723 Y727 T728 S731 R732 L737 F738 I776	P723-V734 HydrophobicContact CB-CG2 4.25Å; P723-V734 HydrophobicContact CG-CG1 3.96Å; P723-V734 HydrophobicContact CG-CG2 4.29Å; Y727-V734 HydrophobicContact CD2-CG2 4.27Å; Y727-V734 HydrophobicContact CG-CG2 4.03Å; T728-V734 WeakPolarHBondContact O-CG2 3.44Å; S731-V734 PolarHBondContact O-N 2.92Å; R732-V734 VanDerWaalsContact C-N 3.32Å; R732-V734 PolarHBondContact O-N 3.08Å; V734-L737 PolarHBondContact O-N 3.3Å; V734-F738 HydrophobicContact CG1-CD2 4.06Å; V734-F738 HydrophobicContact CG1-CE1 4.49Å; V734-F738 HydrophobicContact CG1-CE2 3.5Å; V734-F738 VanDerWaalsContact CG1-CE2 3.5Å; V734-F738 HydrophobicContact CG1-CZ 3.75Å; V734-F738 PolarHBondContact O-N 2.71Å; V734-I776 HydrophobicContact CG2-CG2 4.38Å
735	K	96.3	Very high	95.1	Very high	92 Å²	92	50.5 Å²	50.5	40%	0.4	27%	0.271	S	S	.	.	H	α-helix	trans	-61.6	-45	174.9	-70.8	172	175.4	158.8	0	111.4	D730 S731 R732 L737 F738 E739	D730-K735 PolarHBondContact O-NZ 3.13Å; D730-K735 IonicContact OD1-NZ 3.33Å; D730-K735 PolarHBondContact OD1-NZ 3.45Å; D730-K735 VanDerWaalsContact OD1-NZ 3.1Å; S731-K735 PolarHBondContact O-N 3.1Å; S731-K735 VanDerWaalsContact O-N 3.09Å; R732-K735 PolarHBondContact O-N 2.82Å; K735-L737 PolarHBondContact O-N 3.2Å; K735-F738 PolarHBondContact O-N 3.46Å; K735-E739 WeakPolarHBondContact O-CB 3.3Å; K735-E739 PolarHBondContact O-N 3.14Å
736	F	97.4	Very high	95	Very high	43 Å²	43	50.6 Å²	50.6	19%	0.189	28%	0.276	C	S	.	.	H	α-helix	trans	-58.9	-46.1	173.6	-73.7	-4.9	0	0	0	112.1	R732 F738 E739 I740 I809 M812	R732-F736 HydrophobicContact CG-CD1 4.44Å; R732-F736 HydrophobicContact CG-CD2 4.28Å; R732-F736 HydrophobicContact CG-CE1 4Å; R732-F736 HydrophobicContact CG-CE2 3.82Å; R732-F736 HydrophobicContact CG-CZ 3.68Å; R732-F736 WeakPolarHBondContact O-CG 3.15Å; R732-F736 PolarHBondContact O-N 2.63Å; F736-F738 PolarHBondContact O-N 2.81Å; F736-E739 PolarHBondContact O-N 3.15Å; F736-I740 WeakPolarHBondContact O-CB 3.48Å; F736-I740 WeakPolarHBondContact O-CD1 3.11Å; F736-I740 WeakPolarHBondContact O-CG1 3.35Å; F736-I740 PolarHBondContact O-N 3.33Å; F736-I809 HydrophobicContact CB-CG1 4.14Å; F736-I809 HydrophobicContact CD1-CB 4.14Å; F736-I809 HydrophobicContact CD1-CD1 4.25Å; F736-I809 HydrophobicContact CD1-CG1 4.31Å; F736-I809 HydrophobicContact CD2-CB 4.08Å; F736-I809 HydrophobicContact CE1-CB 4.34Å; F736-I809 HydrophobicContact CE2-CB 4.28Å; F736-I809 HydrophobicContact CG-CB 4Å; F736-I809 HydrophobicContact CG-CG1 4.13Å; F736-I809 HydrophobicContact CZ-CB 4.4Å; F736-M812 HydrophobicContact CB-CE 3.88Å; F736-M812 HydrophobicContact CB-SD 3.7Å; F736-M812 HydrophobicContact CD2-CE 4.35Å
737	L	97.1	Very high	94.8	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-56.4	-53	178.1	178	66.7	0	0	0	110.9	A733 V734 K735 E739 I740 L741 I776 L801 L803 M812 L816	A733-L737 WeakPolarHBondContact O-CB 3.32Å; A733-L737 PolarHBondContact O-N 3.14Å; V734-L737 PolarHBondContact O-N 3.3Å; K735-L737 PolarHBondContact O-N 3.2Å; L737-E739 VanDerWaalsContact C-N 3.33Å; L737-E739 PolarHBondContact O-N 3.04Å; L737-I740 PolarHBondContact O-N 3.48Å; L737-L741 HydrophobicContact CD1-CD1 4.02Å; L737-L741 HydrophobicContact CD1-CD2 4.2Å; L737-L741 HydrophobicContact CD1-CG 3.96Å; L737-L741 HydrophobicContact CG-CD1 3.96Å; L737-L741 HydrophobicContact CG-CG 4.21Å; L737-L741 WeakPolarHBondContact O-CB 3.38Å; L737-L741 VanDerWaalsContact O-CG 3.26Å; L737-L741 WeakPolarHBondContact O-CG 3.32Å; L737-L741 PolarHBondContact O-N 3.48Å; L737-I776 HydrophobicContact CD2-CD1 3.77Å; L737-I776 HydrophobicContact CD2-CG1 4Å; L737-I776 HydrophobicContact CD2-CG2 4.16Å; L737-L801 HydrophobicContact CD1-CD2 4.46Å; L737-L801 HydrophobicContact CD2-CD2 4Å; L737-L803 HydrophobicContact CB-CD2 4.24Å; L737-L803 HydrophobicContact CD2-CD2 4.26Å; L737-M812 HydrophobicContact CB-SD 4.1Å; L737-L816 HydrophobicContact CD1-CD1 3.66Å; L737-L816 HydrophobicContact CD1-CD2 4.29Å
738	F	96.2	Very high	94.5	Very high	3 Å²	3	56.1 Å²	56.1	1%	0.013	29%	0.287	C	S	.	.	H	α-helix	trans	-65.8	-34.8	-177.4	-62.6	-22.8	0	0	0	113.3	A714 L717 M718 C721 V734 K735 F736 S742 I776	A714-F738 HydrophobicContact CB-CB 4.4Å; L717-F738 HydrophobicContact CB-CB 4.36Å; L717-F738 HydrophobicContact CB-CD1 3.71Å; L717-F738 HydrophobicContact CB-CD2 4.42Å; L717-F738 HydrophobicContact CB-CE1 4.05Å; L717-F738 HydrophobicContact CB-CG 3.92Å; L717-F738 HydrophobicContact CD1-CB 4.22Å; L717-F738 HydrophobicContact CD1-CD1 4.19Å; L717-F738 HydrophobicContact CD1-CG 4.47Å; L717-F738 HydrophobicContact CG-CD1 4.5Å; M718-F738 HydrophobicContact CB-CD2 4.38Å; M718-F738 HydrophobicContact CB-CE2 4.21Å; M718-F738 HydrophobicContact CE-CD2 3.95Å; M718-F738 HydrophobicContact CE-CE2 4.17Å; M718-F738 HydrophobicContact SD-CD2 4.07Å; M718-F738 HydrophobicContact SD-CE2 3.68Å; C721-F738 HydrophobicContact CB-CE1 3.94Å; C721-F738 HydrophobicContact CB-CZ 3.8Å; V734-F738 HydrophobicContact CG1-CD2 4.06Å; V734-F738 HydrophobicContact CG1-CE1 4.49Å; V734-F738 HydrophobicContact CG1-CE2 3.5Å; V734-F738 VanDerWaalsContact CG1-CE2 3.5Å; V734-F738 HydrophobicContact CG1-CZ 3.75Å; V734-F738 PolarHBondContact O-N 2.71Å; K735-F738 PolarHBondContact O-N 3.46Å; F736-F738 PolarHBondContact O-N 2.81Å; F738-S742 VanDerWaalsContact O-CB 3.28Å; F738-S742 WeakPolarHBondContact O-CB 3.47Å; F738-S742 PolarHBondContact O-N 2.97Å; F738-S742 PolarHBondContact O-OG 3.28Å; F738-I776 HydrophobicContact CE1-CD1 3.64Å; F738-I776 HydrophobicContact CZ-CD1 3.78Å
739	E	95.9	Very high	94.3	Very high	111 Å²	111	53.7 Å²	53.7	52%	0.519	27%	0.27	S	S	.	.	H	α-helix	trans	-62.3	-47.8	172.4	-173.9	177.5	163.6	0	0	111.3	K735 F736 L737 S742 S743 I809	K735-E739 WeakPolarHBondContact O-CB 3.3Å; K735-E739 PolarHBondContact O-N 3.14Å; F736-E739 PolarHBondContact O-N 3.15Å; L737-E739 VanDerWaalsContact C-N 3.33Å; L737-E739 PolarHBondContact O-N 3.04Å; E739-S742 PolarHBondContact O-N 2.97Å; E739-S742 PolarHBondContact O-OG 3.48Å; E739-S743 PolarHBondContact O-N 2.81Å; E739-I809 HydrophobicContact CB-CD1 4.18Å; E739-I809 HydrophobicContact CG-CD1 4Å
740	I	96.6	Very high	94.1	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-59.3	-52.2	176.6	-68.6	163	0	0	0	110.6	F736 L737 S742 S743 F744 I809 M812 R813 L816	F736-I740 WeakPolarHBondContact O-CB 3.48Å; F736-I740 WeakPolarHBondContact O-CD1 3.11Å; F736-I740 WeakPolarHBondContact O-CG1 3.35Å; F736-I740 PolarHBondContact O-N 3.33Å; L737-I740 PolarHBondContact O-N 3.48Å; I740-S742 VanDerWaalsContact C-N 3.26Å; I740-S742 PolarHBondContact O-N 3.29Å; I740-S743 PolarHBondContact O-N 3.21Å; I740-S743 PolarHBondContact O-OG 2.84Å; I740-F744 HydrophobicContact CG2-CD1 4.01Å; I740-F744 HydrophobicContact CG2-CE1 3.25Å; I740-F744 HydrophobicContact CG2-CE2 4.42Å; I740-F744 HydrophobicContact CG2-CZ 3.5Å; I740-F744 WeakPolarHBondContact O-CD1 3.04Å; I740-F744 PolarHBondContact O-N 3.19Å; I740-I809 HydrophobicContact CD1-CG1 3.69Å; I740-I809 WeakPolarHBondContact CD1-O 3.43Å; I740-I809 HydrophobicContact CG1-CD1 4.05Å; I740-I809 HydrophobicContact CG1-CG1 3.62Å; I740-M812 HydrophobicContact CD1-CB 3.79Å; I740-M812 HydrophobicContact CD1-CG 3.64Å; I740-M812 HydrophobicContact CD1-SD 3.74Å; I740-R813 HydrophobicContact CD1-CB 4.02Å; I740-R813 HydrophobicContact CG1-CB 4.22Å; I740-R813 HydrophobicContact CG2-CB 4.26Å; I740-R813 HydrophobicContact CG2-CG 4.23Å; I740-L816 HydrophobicContact CD1-CD1 4.3Å; I740-L816 HydrophobicContact CG2-CD1 4.22Å
741	L	95	Very high	93.8	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-59.8	-37.7	-178.9	-65.7	-174.7	0	0	0	111.6	W712 L717 L737 S743 F744 F752	W712-L741 HydrophobicContact CE3-CB 3.91Å; W712-L741 HydrophobicContact CZ3-CB 4.14Å; W712-L741 HydrophobicContact CZ3-CD2 4.07Å; W712-L741 HydrophobicContact CZ3-CG 4.45Å; L717-L741 HydrophobicContact CD1-CB 3.72Å; L717-L741 HydrophobicContact CD1-CD1 4.31Å; L737-L741 HydrophobicContact CD1-CD1 4.02Å; L737-L741 HydrophobicContact CD1-CD2 4.2Å; L737-L741 HydrophobicContact CD1-CG 3.96Å; L737-L741 HydrophobicContact CG-CD1 3.96Å; L737-L741 HydrophobicContact CG-CG 4.21Å; L737-L741 WeakPolarHBondContact O-CB 3.38Å; L737-L741 VanDerWaalsContact O-CG 3.26Å; L737-L741 WeakPolarHBondContact O-CG 3.32Å; L737-L741 PolarHBondContact O-N 3.48Å; L741-S743 PolarHBondContact O-N 2.99Å; L741-F744 HydrophobicContact CD2-CD2 3.93Å; L741-F744 HydrophobicContact CD2-CE2 3.68Å; L741-F744 HydrophobicContact CD2-CZ 4.46Å; L741-F744 PolarHBondContact O-N 3.2Å; L741-F752 HydrophobicContact CD1-CD1 4.5Å; L741-F752 HydrophobicContact CD1-CE1 3.76Å; L741-F752 HydrophobicContact CD1-CZ 3.82Å; L741-F752 HydrophobicContact CD2-CD1 3.79Å; L741-F752 HydrophobicContact CD2-CD2 3.8Å; L741-F752 HydrophobicContact CD2-CE1 3.76Å; L741-F752 HydrophobicContact CD2-CE2 3.78Å; L741-F752 HydrophobicContact CD2-CG 3.8Å; L741-F752 HydrophobicContact CD2-CZ 3.75Å; L741-F752 HydrophobicContact CG-CE1 4.43Å; L741-F752 HydrophobicContact CG-CZ 4.42Å
742	S	94.2	Very high	93.5	Very high	54 Å²	54	48.8 Å²	48.8	38%	0.378	24%	0.237	S	C	.	.	H	α-helix	trans	-68.2	-19.9	176.2	74.5	0	0	0	0	114.6	W712 F738 E739 I740	W712-S742 WeakPolarHBondContact O-CA 3.49Å; W712-S742 WeakPolarHBondContact O-CB 3.15Å; F738-S742 VanDerWaalsContact O-CB 3.28Å; F738-S742 WeakPolarHBondContact O-CB 3.47Å; F738-S742 PolarHBondContact O-N 2.97Å; F738-S742 PolarHBondContact O-OG 3.28Å; E739-S742 PolarHBondContact O-N 2.97Å; E739-S742 PolarHBondContact O-OG 3.48Å; I740-S742 VanDerWaalsContact C-N 3.26Å; I740-S742 PolarHBondContact O-N 3.29Å
743	S	94.2	Very high	93.3	Very high	60 Å²	60	43.9 Å²	43.9	42%	0.42	22%	0.219	S	C	.	.	H	α-helix	trans	-95.2	-7.5	177.9	74	0	0	0	0	114	E739 I740 L741 R813	E739-S743 PolarHBondContact O-N 2.81Å; I740-S743 PolarHBondContact O-N 3.21Å; I740-S743 PolarHBondContact O-OG 2.84Å; L741-S743 PolarHBondContact O-N 2.99Å; S743-R813 PolarHBondContact OG-NH2 2.87Å
744	F	93.4	Very high	92.8	Very high	10 Å²	10	45.2 Å²	45.2	4%	0.044	23%	0.226	C	C	.	.			trans	-68.8	139.3	-179.4	-80.1	-2.7	0	0	0	111.6	I740 L741 Q748 Q749 F752 L817	I740-F744 HydrophobicContact CG2-CD1 4.01Å; I740-F744 HydrophobicContact CG2-CE1 3.25Å; I740-F744 HydrophobicContact CG2-CE2 4.42Å; I740-F744 HydrophobicContact CG2-CZ 3.5Å; I740-F744 WeakPolarHBondContact O-CD1 3.04Å; I740-F744 PolarHBondContact O-N 3.19Å; L741-F744 HydrophobicContact CD2-CD2 3.93Å; L741-F744 HydrophobicContact CD2-CE2 3.68Å; L741-F744 HydrophobicContact CD2-CZ 4.46Å; L741-F744 PolarHBondContact O-N 3.2Å; F744-Q748 HydrophobicContact CB-CB 3.76Å; F744-Q748 HydrophobicContact CD1-CB 4.13Å; F744-Q748 HydrophobicContact CD2-CB 3.93Å; F744-Q748 HydrophobicContact CG-CB 3.7Å; F744-Q749 HydrophobicContact CB-CG 3.65Å; F744-Q749 PolarHBondContact O-NE2 2.91Å; F744-F752 HydrophobicContact CD2-CB 4.43Å; F744-F752 HydrophobicContact CE2-CB 4.13Å; F744-F752 HydrophobicContact CE2-CG 4.48Å; F744-L817 HydrophobicContact CE1-CD2 4.13Å; F744-L817 HydrophobicContact CE1-CG 4.47Å; F744-L817 HydrophobicContact CZ-CD2 3.94Å; F744-L817 HydrophobicContact CZ-CG 4.35Å
745	D	91.7	Very high	92.4	Very high	81 Å²	81	45.7 Å²	45.7	43%	0.433	23%	0.227	S	C	.	.			trans	-71.9	172	166.7	65.9	42.7	0	0	0	111.5	E747 Q748 Q749	D745-E747 PolarHBondContact O-N 2.85Å; D745-E747 WeakPolarHBondContact OD1-CA 3.26Å; D745-E747 WeakPolarHBondContact OD1-CB 3.38Å; D745-E747 PolarHBondContact OD1-N 3.01Å; D745-Q748 PolarHBondContact O-N 3.18Å; D745-Q748 WeakPolarHBondContact OD1-CB 3.49Å; D745-Q748 WeakPolarHBondContact OD1-CG 3.37Å; D745-Q748 PolarHBondContact OD1-N 3.33Å; D745-Q749 WeakPolarHBondContact O-CB 3.23Å; D745-Q749 VanDerWaalsContact O-CG 3.24Å; D745-Q749 WeakPolarHBondContact O-CG 3.33Å; D745-Q749 PolarHBondContact O-N 2.88Å
746	N	87.4	Confident	92	Very high	128 Å²	128	41.3 Å²	41.3	68%	0.684	21%	0.208	S	C	*	.	H	α-helix	trans	-59.2	-32	-177.6	-70.2	-41.8	0	0	0	113.3	R750	N746-R750 WeakPolarHBondContact O-CB 3.24Å; N746-R750 VanDerWaalsContact O-CD 3.31Å; N746-R750 WeakPolarHBondContact O-CD 3.28Å; N746-R750 WeakPolarHBondContact O-CG 3.49Å; N746-R750 PolarHBondContact O-N 3Å
747	E	86.6	Confident	91.5	Very high	138 Å²	138	39.5 Å²	39.5	65%	0.645	20%	0.201	S	C	*	.	H	α-helix	trans	-74	-47.3	179.9	-170.8	-176.4	164.2	0	0	110.2	D745 Q749 R750 L751	D745-E747 PolarHBondContact O-N 2.85Å; D745-E747 WeakPolarHBondContact OD1-CA 3.26Å; D745-E747 WeakPolarHBondContact OD1-CB 3.38Å; D745-E747 PolarHBondContact OD1-N 3.01Å; E747-Q749 VanDerWaalsContact C-N 3.33Å; E747-Q749 PolarHBondContact O-N 3.19Å; E747-R750 WeakPolarHBondContact O-CB 3.4Å; E747-R750 PolarHBondContact O-N 3.02Å; E747-R750 VanDerWaalsContact O-N 3.16Å; E747-L751 HydrophobicContact CG-CD1 4.48Å; E747-L751 WeakPolarHBondContact O-CG 3.46Å; E747-L751 PolarHBondContact O-N 2.75Å
748	Q	91.1	Very high	90.8	Very high	45 Å²	45	39.7 Å²	39.7	21%	0.21	20%	0.203	C	C	.	.	H	α-helix	trans	-60.3	-41.3	176.6	-68.4	172.5	-11.4	0	0	112	F744 D745 L751 F752 L817	F744-Q748 HydrophobicContact CB-CB 3.76Å; F744-Q748 HydrophobicContact CD1-CB 4.13Å; F744-Q748 HydrophobicContact CD2-CB 3.93Å; F744-Q748 HydrophobicContact CG-CB 3.7Å; D745-Q748 PolarHBondContact O-N 3.18Å; D745-Q748 WeakPolarHBondContact OD1-CB 3.49Å; D745-Q748 WeakPolarHBondContact OD1-CG 3.37Å; D745-Q748 PolarHBondContact OD1-N 3.33Å; Q748-L751 PolarHBondContact O-N 2.97Å; Q748-F752 WeakPolarHBondContact O-CB 3.31Å; Q748-F752 PolarHBondContact O-N 3.5Å; Q748-L817 HydrophobicContact CB-CD2 4.37Å; Q748-L817 HydrophobicContact CG-CD2 3.99Å
749	Q	91.9	Very high	90.3	Very high	28 Å²	28	40.2 Å²	40.2	13%	0.131	21%	0.207	C	C	.	.	H	α-helix	trans	-60	-45.9	174	-72.4	-179.8	10.1	0	0	111.7	W712 F744 D745 E747 F752 L753	W712-Q749 HydrophobicContact CD2-CB 4.31Å; W712-Q749 VanDerWaalsContact CD2-CD 3.49Å; W712-Q749 HydrophobicContact CD2-CG 3.67Å; W712-Q749 HydrophobicContact CE3-CB 4.35Å; W712-Q749 HydrophobicContact CE3-CG 3.63Å; W712-Q749 HydrophobicContact CG-CG 4.28Å; W712-Q749 HydrophobicContact CH2-CB 3.64Å; W712-Q749 HydrophobicContact CH2-CG 3.86Å; W712-Q749 WeakPolarHBondContact CH2-O 3.46Å; W712-Q749 HydrophobicContact CZ2-CB 3.6Å; W712-Q749 HydrophobicContact CZ2-CG 3.91Å; W712-Q749 HydrophobicContact CZ3-CB 4.03Å; W712-Q749 HydrophobicContact CZ3-CG 3.73Å; F744-Q749 HydrophobicContact CB-CG 3.65Å; F744-Q749 PolarHBondContact O-NE2 2.91Å; D745-Q749 WeakPolarHBondContact O-CB 3.23Å; D745-Q749 VanDerWaalsContact O-CG 3.24Å; D745-Q749 WeakPolarHBondContact O-CG 3.33Å; D745-Q749 PolarHBondContact O-N 2.88Å; E747-Q749 VanDerWaalsContact C-N 3.33Å; E747-Q749 PolarHBondContact O-N 3.19Å; Q749-F752 PolarHBondContact O-N 3.29Å; Q749-L753 WeakPolarHBondContact O-CG 3.2Å; Q749-L753 PolarHBondContact O-N 3.49Å
750	R	89.6	Confident	89.8	Confident	90 Å²	90	35 Å²	35	34%	0.34	18%	0.183	S	C	.	.	H	α-helix	trans	-62.4	-44.1	177.6	-72.7	169	58.2	72.3	1.3	112.1	D553 N746 E747 F752 L753 Q754 P760	D553-R750 IonicContact OD1-CZ 3.89Å; D553-R750 IonicContact OD1-NH1 3.84Å; D553-R750 PolarHBondContact OD1-NH1 3.29Å; D553-R750 IonicContact OD1-NH2 2.86Å; D553-R750 PolarHBondContact OD1-NH2 3.39Å; D553-R750 IonicContact OD2-CZ 2.81Å; D553-R750 IonicContact OD2-NH1 3.1Å; D553-R750 IonicContact OD2-NH2 3.86Å; D553-R750 PolarHBondContact OD2-NH2 2.87Å; N746-R750 WeakPolarHBondContact O-CB 3.24Å; N746-R750 VanDerWaalsContact O-CD 3.31Å; N746-R750 WeakPolarHBondContact O-CD 3.28Å; N746-R750 WeakPolarHBondContact O-CG 3.49Å; N746-R750 PolarHBondContact O-N 3Å; E747-R750 WeakPolarHBondContact O-CB 3.4Å; E747-R750 PolarHBondContact O-N 3.02Å; E747-R750 VanDerWaalsContact O-N 3.16Å; R750-F752 VanDerWaalsContact C-N 3.35Å; R750-F752 PolarHBondContact O-N 3.09Å; R750-L753 PolarHBondContact O-N 3.31Å; R750-Q754 WeakPolarHBondContact O-CB 3.2Å; R750-Q754 PolarHBondContact O-N 3.48Å; R750-P760 HydrophobicContact CB-CB 4.46Å; R750-P760 WeakPolarHBondContact CG-O 3.32Å
751	L	88.3	Confident	89.4	Confident	28 Å²	28	36.9 Å²	36.9	15%	0.147	19%	0.19	C	C	.	.	H	α-helix	trans	-60.6	-44.6	175.8	-66.8	172.8	0	0	0	111.1	E747 Q748 Q754 F755 A820 R821	E747-L751 HydrophobicContact CG-CD1 4.48Å; E747-L751 WeakPolarHBondContact O-CG 3.46Å; E747-L751 PolarHBondContact O-N 2.75Å; Q748-L751 PolarHBondContact O-N 2.97Å; L751-Q754 PolarHBondContact O-N 3.01Å; L751-F755 WeakPolarHBondContact O-CB 3.17Å; L751-F755 PolarHBondContact O-N 3.06Å; L751-A820 HydrophobicContact CB-CB 4.21Å; L751-R821 HydrophobicContact CD1-CG 4.25Å
752	F	91.8	Very high	89.2	Confident	1 Å²	1	37 Å²	37	0%	0.004	19%	0.191	C	C	.	.	H	α-helix	trans	-63.6	-44.9	177.2	177.2	-97.2	0	0	0	112.4	W712 L741 F744 Q748 Q749 R750 Q754 F755 V756 L774 L801 L816	W712-F752 AromaticContact CH2-CD1 3.78Å; W712-F752 HydrophobicContact CH2-CD1 3.78Å; W712-F752 AromaticContact CZ3-CD1 3.89Å; W712-F752 HydrophobicContact CZ3-CD1 3.89Å; W712-F752 HydrophobicContact CZ3-CE1 4.48Å; L741-F752 HydrophobicContact CD1-CD1 4.5Å; L741-F752 HydrophobicContact CD1-CE1 3.76Å; L741-F752 HydrophobicContact CD1-CZ 3.82Å; L741-F752 HydrophobicContact CD2-CD1 3.79Å; L741-F752 HydrophobicContact CD2-CD2 3.8Å; L741-F752 HydrophobicContact CD2-CE1 3.76Å; L741-F752 HydrophobicContact CD2-CE2 3.78Å; L741-F752 HydrophobicContact CD2-CG 3.8Å; L741-F752 HydrophobicContact CD2-CZ 3.75Å; L741-F752 HydrophobicContact CG-CE1 4.43Å; L741-F752 HydrophobicContact CG-CZ 4.42Å; F744-F752 HydrophobicContact CD2-CB 4.43Å; F744-F752 HydrophobicContact CE2-CB 4.13Å; F744-F752 HydrophobicContact CE2-CG 4.48Å; Q748-F752 WeakPolarHBondContact O-CB 3.31Å; Q748-F752 PolarHBondContact O-N 3.5Å; Q749-F752 PolarHBondContact O-N 3.29Å; R750-F752 VanDerWaalsContact C-N 3.35Å; R750-F752 PolarHBondContact O-N 3.09Å; F752-Q754 VanDerWaalsContact C-N 3.34Å; F752-Q754 PolarHBondContact O-N 3.15Å; F752-F755 WeakPolarHBondContact O-CB 3.14Å; F752-F755 PolarHBondContact O-N 3.11Å; F752-V756 HydrophobicContact CD1-CG2 4.14Å; F752-V756 HydrophobicContact CD2-CG1 4.21Å; F752-V756 HydrophobicContact CE1-CG1 4.06Å; F752-V756 HydrophobicContact CE1-CG2 3.88Å; F752-V756 HydrophobicContact CE2-CG1 3.69Å; F752-V756 HydrophobicContact CZ-CG1 3.62Å; F752-V756 HydrophobicContact CZ-CG2 4.29Å; F752-V756 WeakPolarHBondContact O-CG2 3.29Å; F752-V756 PolarHBondContact O-N 3.14Å; F752-L774 HydrophobicContact CE1-CD2 4.34Å; F752-L774 HydrophobicContact CZ-CD2 4.5Å; F752-L801 HydrophobicContact CE2-CD2 4.35Å; F752-L801 HydrophobicContact CZ-CD2 4.27Å; F752-L816 HydrophobicContact CD2-CD2 4.48Å; F752-L816 HydrophobicContact CE2-CD2 4.1Å
753	L	90.9	Very high	88.8	Confident	8 Å²	8	36 Å²	36	4%	0.042	18%	0.183	C	C	.	.	H	α-helix	trans	-61.2	-44.2	176.9	-72.8	177.4	0	0	0	111.7	W712 Q749 R750 F755 V756 T757 S759 L762 F767	W712-L753 HydrophobicContact CH2-CD1 4.43Å; W712-L753 HydrophobicContact CH2-CD2 3.96Å; W712-L753 HydrophobicContact CH2-CG 3.78Å; W712-L753 HydrophobicContact CZ2-CD1 3.76Å; W712-L753 HydrophobicContact CZ2-CD2 3.79Å; W712-L753 HydrophobicContact CZ2-CG 3.59Å; Q749-L753 WeakPolarHBondContact O-CG 3.2Å; Q749-L753 PolarHBondContact O-N 3.49Å; R750-L753 PolarHBondContact O-N 3.31Å; L753-F755 VanDerWaalsContact C-N 3.27Å; L753-F755 PolarHBondContact O-N 3.17Å; L753-V756 PolarHBondContact O-N 2.88Å; L753-T757 WeakPolarHBondContact O-CB 3.22Å; L753-T757 PolarHBondContact O-N 3.48Å; L753-T757 PolarHBondContact O-OG1 2.99Å; L753-S759 CarbonylContact C-O 3.54Å; L753-S759 WeakPolarHBondContact CB-O 3.23Å; L753-S759 VanDerWaalsContact O-O 3.13Å; L753-L762 HydrophobicContact CD1-CD1 4.27Å; L753-L762 HydrophobicContact CD1-CG 3.77Å; L753-L762 HydrophobicContact CD2-CD1 4.14Å; L753-L762 HydrophobicContact CD2-CD2 3.67Å; L753-L762 HydrophobicContact CD2-CG 3.75Å; L753-L762 HydrophobicContact CG-CG 4.42Å; L753-F767 HydrophobicContact CD2-CE1 4.23Å; L753-F767 HydrophobicContact CD2-CZ 4.22Å
754	Q	86.7	Confident	88.3	Confident	30 Å²	30	33.6 Å²	33.6	14%	0.14	17%	0.166	C	C	.	.	H	α-helix	trans	-62.2	-40.4	177.9	-172.5	171.7	3.6	0	0	110.9	R750 L751 F752 G758 S759 P760	R750-Q754 WeakPolarHBondContact O-CB 3.2Å; R750-Q754 PolarHBondContact O-N 3.48Å; L751-Q754 PolarHBondContact O-N 3.01Å; F752-Q754 VanDerWaalsContact C-N 3.34Å; F752-Q754 PolarHBondContact O-N 3.15Å; Q754-G758 WeakPolarHBondContact O-CA 3.47Å; Q754-G758 PolarHBondContact O-N 3.16Å; Q754-S759 WeakPolarHBondContact CA-O 3.24Å; Q754-S759 PolarHBondContact N-O 2.66Å; Q754-S759 VanDerWaalsContact N-O 3.13Å; Q754-P760 HydrophobicContact CB-CB 4.31Å
755	F	88.2	Confident	87.7	Confident	9 Å²	9	35.2 Å²	35.2	4%	0.039	19%	0.185	C	C	.	.	H	α-helix	trans	-61.9	-50.6	174.2	173.6	-117.6	0	0	0	112.4	L751 F752 L753 P792 V794 T796 L801 A819 A820	L751-F755 WeakPolarHBondContact O-CB 3.17Å; L751-F755 PolarHBondContact O-N 3.06Å; F752-F755 WeakPolarHBondContact O-CB 3.14Å; F752-F755 PolarHBondContact O-N 3.11Å; L753-F755 VanDerWaalsContact C-N 3.27Å; L753-F755 PolarHBondContact O-N 3.17Å; F755-P792 HydrophobicContact CE1-CG 4.34Å; F755-P792 HydrophobicContact CZ-CG 4.38Å; F755-V794 HydrophobicContact CD1-CG1 3.94Å; F755-V794 HydrophobicContact CD2-CG1 4.46Å; F755-V794 HydrophobicContact CD2-CG2 4.07Å; F755-V794 HydrophobicContact CE1-CG1 3.43Å; F755-V794 VanDerWaalsContact CE1-CG1 3.43Å; F755-V794 HydrophobicContact CE2-CB 4.5Å; F755-V794 HydrophobicContact CE2-CG1 4.02Å; F755-V794 HydrophobicContact CE2-CG2 3.67Å; F755-V794 HydrophobicContact CG-CG1 4.43Å; F755-V794 HydrophobicContact CZ-CB 4.33Å; F755-V794 HydrophobicContact CZ-CG1 3.48Å; F755-V794 VanDerWaalsContact CZ-CG1 3.48Å; F755-V794 HydrophobicContact CZ-CG2 3.98Å; F755-V794 WeakPolarHBondContact O-CG2 3.43Å; F755-T796 VanDerWaalsContact O-CG2 3.28Å; F755-T796 WeakPolarHBondContact O-CG2 3.49Å; F755-L801 HydrophobicContact CE1-CD1 4.13Å; F755-A819 HydrophobicContact CE1-CB 4.22Å; F755-A819 HydrophobicContact CE2-CB 4.14Å; F755-A819 HydrophobicContact CZ-CB 3.8Å; F755-A820 HydrophobicContact CB-CB 4.14Å; F755-A820 HydrophobicContact CG-CB 4.46Å
756	V	88.6	Confident	87.5	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-83.7	-23.7	-173	-61.7	0	0	0	0	115	F752 L753 L774 V794 L801	F752-V756 HydrophobicContact CD1-CG2 4.14Å; F752-V756 HydrophobicContact CD2-CG1 4.21Å; F752-V756 HydrophobicContact CE1-CG1 4.06Å; F752-V756 HydrophobicContact CE1-CG2 3.88Å; F752-V756 HydrophobicContact CE2-CG1 3.69Å; F752-V756 HydrophobicContact CZ-CG1 3.62Å; F752-V756 HydrophobicContact CZ-CG2 4.29Å; F752-V756 WeakPolarHBondContact O-CG2 3.29Å; F752-V756 PolarHBondContact O-N 3.14Å; L753-V756 PolarHBondContact O-N 2.88Å; V756-L774 HydrophobicContact CB-CD1 4.17Å; V756-L774 HydrophobicContact CG2-CD1 4.34Å; V756-V794 HydrophobicContact CB-CG1 4.47Å; V756-V794 HydrophobicContact CG1-CG1 3.99Å; V756-L801 HydrophobicContact CG1-CD1 4.35Å
757	T	85.8	Confident	87.5	Confident	5 Å²	5	25.7 Å²	25.7	3%	0.031	13%	0.134	C	C	.	.	H	α-helix	trans	-121.1	-16.8	-174.5	74.5	0	0	0	0	114.1	L470 L753 S759 L770	L470-T757 VanDerWaalsContact CD1-O 3.27Å; L470-T757 WeakPolarHBondContact CD1-O 3.28Å; L753-T757 WeakPolarHBondContact O-CB 3.22Å; L753-T757 PolarHBondContact O-N 3.48Å; L753-T757 PolarHBondContact O-OG1 2.99Å; T757-S759 PolarHBondContact O-N 2.97Å; T757-S759 PolarHBondContact OG1-N 3.36Å; T757-S759 PolarHBondContact OG1-O 3.17Å; T757-L770 HydrophobicContact CG2-CD2 4.3Å
758	G	82.6	Confident	87.5	Confident	5 Å²	5	27.2 Å²	27.2	5%	0.052	13%	0.134	C	C	.	.	S	Bend	trans	79.9	-4.9	-168.2	0	0	0	0	0	114.3	L470 E471 Q754	L470-G758 CarbonylContact C-O 3.5Å; L470-G758 VanDerWaalsContact C-O 3.31Å; E471-G758 WeakPolarHBondContact CA-O 3.45Å; E471-G758 PolarHBondContact N-O 3.23Å; Q754-G758 WeakPolarHBondContact O-CA 3.47Å; Q754-G758 PolarHBondContact O-N 3.16Å
759	S	85.7	Confident	87.2	Confident	13 Å²	13	27.6 Å²	27.6	9%	0.091	14%	0.142	C	C	.	.			trans	-117.9	134.2	176.6	176.1	0	0	0	0	110.7	L753 Q754 T757 R761	L753-S759 CarbonylContact C-O 3.54Å; L753-S759 WeakPolarHBondContact CB-O 3.23Å; L753-S759 VanDerWaalsContact O-O 3.13Å; Q754-S759 WeakPolarHBondContact CA-O 3.24Å; Q754-S759 PolarHBondContact N-O 2.66Å; Q754-S759 VanDerWaalsContact N-O 3.13Å; T757-S759 PolarHBondContact O-N 2.97Å; T757-S759 PolarHBondContact OG1-N 3.36Å; T757-S759 PolarHBondContact OG1-O 3.17Å; S759-R761 PolarHBondContact O-N 3Å; S759-R761 PolarHBondContact OG-N 3.37Å; S759-R761 PolarHBondContact OG-O 3.3Å
760	P	85.9	Confident	86.8	Confident	3 Å²	3	27 Å²	27	2%	0.019	14%	0.14	C	C	.	.	S	Bend	trans	-76.3	-5.8	177.9	32.1	-36.2	0	0	0	113.3	A474 D553 R750 Q754	A474-P760 HydrophobicContact CB-CG 4.26Å; D553-P760 HydrophobicContact CB-CG 3.68Å; D553-P760 VanDerWaalsContact CG-CG 3.42Å; D553-P760 WeakPolarHBondContact OD2-CG 3.21Å; R750-P760 HydrophobicContact CB-CB 4.46Å; R750-P760 WeakPolarHBondContact CG-O 3.32Å; Q754-P760 HydrophobicContact CB-CB 4.31Å
761	R	88.9	Confident	86.3	Confident	38 Å²	38	26.4 Å²	26.4	14%	0.143	14%	0.143	C	C	.	.	S	Bend	trans	-132.1	149.5	177.8	-67.1	-175.9	-173.7	-158.4	13	111.1	L551 D553 D701 C705 S759	L551-R761 HydrophobicContact CD1-CB 4.41Å; D553-R761 WeakPolarHBondContact OD1-CD 3.24Å; D553-R761 IonicContact OD1-CZ 3.13Å; D553-R761 IonicContact OD1-NE 3.42Å; D553-R761 PolarHBondContact OD1-NE 3.47Å; D553-R761 IonicContact OD1-NH2 3.47Å; D553-R761 PolarHBondContact OD1-NH2 3.49Å; D701-R761 IonicContact OD2-NH1 3.71Å; D701-R761 PolarHBondContact OD2-NH1 2.96Å; C705-R761 VanDerWaalsContact CB-NH1 3.34Å; C705-R761 WeakPolarHBondContact O-CB 3.42Å; C705-R761 WeakPolarHBondContact O-CD 3.16Å; S759-R761 PolarHBondContact O-N 3Å; S759-R761 PolarHBondContact OG-N 3.37Å; S759-R761 PolarHBondContact OG-O 3.3Å
762	L	89.2	Confident	86	Confident	2 Å²	2	27.2 Å²	27.2	1%	0.01	15%	0.15	C	C	.	.	P	Polyproline II helix	trans	-79	150.9	174.4	-73.3	165.3	0	0	0	111.1	G706 S707 D710 L753 F767 L770	G706-L762 WeakPolarHBondContact CA-O 3.38Å; S707-L762 PolarHBondContact N-O 3.5Å; D710-L762 HydrophobicContact CB-CD1 4.3Å; D710-L762 WeakPolarHBondContact OD2-CB 3.34Å; D710-L762 WeakPolarHBondContact OD2-CD1 3.3Å; L753-L762 HydrophobicContact CD1-CD1 4.27Å; L753-L762 HydrophobicContact CD1-CG 3.77Å; L753-L762 HydrophobicContact CD2-CD1 4.14Å; L753-L762 HydrophobicContact CD2-CD2 3.67Å; L753-L762 HydrophobicContact CD2-CG 3.75Å; L753-L762 HydrophobicContact CG-CG 4.42Å; L762-F767 HydrophobicContact CD1-CD1 4.28Å; L762-F767 HydrophobicContact CD1-CD2 3.62Å; L762-F767 HydrophobicContact CD1-CE1 4.25Å; L762-F767 HydrophobicContact CD1-CE2 3.59Å; L762-F767 HydrophobicContact CD1-CG 3.97Å; L762-F767 HydrophobicContact CD1-CZ 3.92Å; L762-F767 HydrophobicContact CD2-CD1 4.2Å; L762-F767 HydrophobicContact CD2-CE1 4.35Å; L762-F767 HydrophobicContact CD2-CG 4.48Å; L762-L770 HydrophobicContact CD2-CD1 3.82Å; L762-L770 HydrophobicContact CD2-CD2 3.9Å; L762-L770 HydrophobicContact CD2-CG 3.89Å
763	P	86.8	Confident	85.9	Confident	35 Å²	35	30 Å²	30	23%	0.227	17%	0.168	C	C	.	.	P	Polyproline II helix	trans	-60.8	164.4	170.4	27.1	-33.7	0	0	0	111.5	G765 G766 L770	P763-G765 PolarHBondContact O-N 2.99Å; P763-G766 PolarHBondContact O-N 3.24Å; P763-L770 HydrophobicContact CG-CD2 4.21Å
764	V	84.3	Confident	86	Confident	9 Å²	9	29.6 Å²	29.6	6%	0.055	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.7	125.9	171.9	178	0	0	0	0	110.2	F382 Q702 S769	F382-V764 HydrophobicContact CD1-CG1 4.13Å; F382-V764 HydrophobicContact CE1-CG1 3.63Å; F382-V764 HydrophobicContact CE1-CG2 4.27Å; Q702-V764 HydrophobicContact CG-CG1 4.41Å; Q702-V764 HydrophobicContact CG-CG2 3.89Å; Q702-V764 WeakPolarHBondContact O-CG2 3.41Å; V764-S769 WeakPolarHBondContact O-CB 3.46Å; V764-S769 PolarHBondContact O-OG 2.81Å
765	G	80.5	Confident	86.3	Confident	43 Å²	43	29 Å²	29	44%	0.443	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	95.1	2.1	-174.3	0	0	0	0	0	114.4	P763 S769	P763-G765 PolarHBondContact O-N 2.99Å; G765-S769 WeakPolarHBondContact CA-OG 3.41Å
766	G	87.5	Confident	86.8	Confident	2 Å²	2	28.6 Å²	28.6	2%	0.021	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	70.9	-146.4	169.9	0	0	0	0	0	113.5	D710 P763 R768 S769	D710-G766 VanDerWaalsContact CG-CA 3.47Å; D710-G766 VanDerWaalsContact OD1-CA 3.3Å; D710-G766 WeakPolarHBondContact OD1-CA 3.45Å; D710-G766 VanDerWaalsContact OD2-CA 3.24Å; D710-G766 WeakPolarHBondContact OD2-CA 3.46Å; P763-G766 PolarHBondContact O-N 3.24Å; G766-R768 PolarHBondContact O-N 3.02Å; G766-S769 PolarHBondContact O-N 2.8Å
767	F	87.6	Confident	87.1	Confident	7 Å²	7	28.8 Å²	28.8	3%	0.031	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-57	-32	-178.4	-76.8	-80.4	0	0	0	113.6	W712 L717 C720 L753 L762 S769 L770 L774	W712-F767 AromaticContact CD2-CE2 3.89Å; W712-F767 HydrophobicContact CD2-CE2 3.89Å; W712-F767 HydrophobicContact CD2-CZ 4.04Å; W712-F767 AromaticContact CE2-CE2 3.67Å; W712-F767 AromaticContact CE2-CZ 3.77Å; W712-F767 HydrophobicContact CE3-CE2 4.49Å; W712-F767 HydrophobicContact CE3-CZ 4.25Å; W712-F767 HydrophobicContact CG-CE2 4.19Å; W712-F767 HydrophobicContact CH2-CZ 4.01Å; W712-F767 HydrophobicContact CZ2-CE2 4.11Å; W712-F767 AromaticContact CZ2-CZ 3.76Å; W712-F767 HydrophobicContact CZ2-CZ 3.76Å; W712-F767 HydrophobicContact CZ3-CZ 4.24Å; W712-F767 AromaticContact NE1-CE2 3.78Å; L717-F767 HydrophobicContact CD2-CD1 4.47Å; L717-F767 HydrophobicContact CD2-CD2 3.95Å; L717-F767 HydrophobicContact CD2-CE1 4.09Å; L717-F767 HydrophobicContact CD2-CE2 3.51Å; L717-F767 HydrophobicContact CD2-CG 4.41Å; L717-F767 HydrophobicContact CD2-CZ 3.59Å; C720-F767 HydrophobicContact CB-CB 3.57Å; L753-F767 HydrophobicContact CD2-CE1 4.23Å; L753-F767 HydrophobicContact CD2-CZ 4.22Å; L762-F767 HydrophobicContact CD1-CD1 4.28Å; L762-F767 HydrophobicContact CD1-CD2 3.62Å; L762-F767 HydrophobicContact CD1-CE1 4.25Å; L762-F767 HydrophobicContact CD1-CE2 3.59Å; L762-F767 HydrophobicContact CD1-CG 3.97Å; L762-F767 HydrophobicContact CD1-CZ 3.92Å; L762-F767 HydrophobicContact CD2-CD1 4.2Å; L762-F767 HydrophobicContact CD2-CE1 4.35Å; L762-F767 HydrophobicContact CD2-CG 4.48Å; F767-S769 PolarHBondContact O-N 3.45Å; F767-L770 HydrophobicContact CD1-CD1 3.97Å; F767-L770 WeakPolarHBondContact O-CB 3.48Å; F767-L770 PolarHBondContact O-N 2.8Å; F767-L774 HydrophobicContact CE1-CD2 4.36Å
768	R	85	Confident	87.5	Confident	170 Å²	170	33.8 Å²	33.8	64%	0.642	18%	0.182	S	C	*	.	G	3₁₀ helix	trans	-64	-25.1	178.3	-66	-176.2	178.9	165.7	-1	113	E719 C720 G766	E719-R768 IonicContact OE2-CZ 3.31Å; E719-R768 IonicContact OE2-NH2 2.78Å; E719-R768 PolarHBondContact OE2-NH2 3.4Å; C720-R768 HydrophobicContact CB-CG 4.37Å; C720-R768 WeakPolarHBondContact SG-CG 3.44Å; G766-R768 PolarHBondContact O-N 3.02Å
769	S	84.7	Confident	88	Confident	53 Å²	53	36 Å²	36	37%	0.371	19%	0.19	S	C	.	.	G	3₁₀ helix	trans	-92.7	2.1	-178.5	-64.9	0	0	0	0	113.2	V764 G765 G766 F767 N771	V764-S769 WeakPolarHBondContact O-CB 3.46Å; V764-S769 PolarHBondContact O-OG 2.81Å; G765-S769 WeakPolarHBondContact CA-OG 3.41Å; G766-S769 PolarHBondContact O-N 2.8Å; F767-S769 PolarHBondContact O-N 3.45Å; S769-N771 PolarHBondContact O-N 2.86Å
770	L	85.1	Confident	88.1	Confident	17 Å²	17	41.1 Å²	41.1	9%	0.089	22%	0.222	C	C	.	.			trans	-70.3	120.9	169.9	-71.3	177.2	0	0	0	109.6	T757 L762 P763 F767 P772 P773 L774	T757-L770 HydrophobicContact CG2-CD2 4.3Å; L762-L770 HydrophobicContact CD2-CD1 3.82Å; L762-L770 HydrophobicContact CD2-CD2 3.9Å; L762-L770 HydrophobicContact CD2-CG 3.89Å; P763-L770 HydrophobicContact CG-CD2 4.21Å; F767-L770 HydrophobicContact CD1-CD1 3.97Å; F767-L770 WeakPolarHBondContact O-CB 3.48Å; F767-L770 PolarHBondContact O-N 2.8Å; L770-P772 CarbonylContact C-O 3.59Å; L770-P772 CarbonylContact O-C 3.52Å; L770-P773 WeakPolarHBondContact O-CA 3.24Å; L770-L774 HydrophobicContact CD1-CB 4.2Å
771	N	77.6	Confident	88.2	Confident	77 Å²	77	43.3 Å²	43.3	41%	0.412	23%	0.231	S	C	.	.	S	Bend	trans	-125.5	108.6	175.7	-171.7	21.7	0	0	0	110	D405 S769	D405-N771 PolarHBondContact OD1-ND2 3.14Å; S769-N771 PolarHBondContact O-N 2.86Å
772	P	83.5	Confident	88.1	Confident	45 Å²	45	48.1 Å²	48.1	29%	0.292	26%	0.255	S	S	.	.	S	Bend	cis	-70.6	160.7	-0.6	31.3	-36.8	0	0	0	113.2	L770 V798 N799	L770-P772 CarbonylContact C-O 3.59Å; L770-P772 CarbonylContact O-C 3.52Å; P772-V798 HydrophobicContact CG-CB 4.28Å; P772-V798 WeakPolarHBondContact CG-O 3.32Å; P772-N799 PolarHBondContact O-ND2 3.27Å
773	P	88.6	Confident	87.7	Confident	58 Å²	58	54.3 Å²	54.3	38%	0.377	30%	0.298	S	S	.	.			trans	-60.1	153.6	174.4	-22.7	33.3	0	0	0	112.5	L770 T775	L770-P773 WeakPolarHBondContact O-CA 3.24Å; P773-T775 PolarHBondContact O-N 2.99Å; P773-T775 PolarHBondContact O-OG1 3.04Å
774	L	92.4	Very high	87.6	Confident	1 Å²	1	58.5 Å²	58.5	1%	0.005	32%	0.323	C	S	.	.			trans	-61.7	111.1	175.7	179.5	61.1	0	0	0	110.2	C721 R722 F752 V756 F767 L770 N799 L801	C721-L774 CarbonylContact C-O 3.04Å; C721-L774 WeakPolarHBondContact CA-O 3.32Å; R722-L774 PolarHBondContact N-O 3.13Å; F752-L774 HydrophobicContact CE1-CD2 4.34Å; F752-L774 HydrophobicContact CZ-CD2 4.5Å; V756-L774 HydrophobicContact CB-CD1 4.17Å; V756-L774 HydrophobicContact CG2-CD1 4.34Å; F767-L774 HydrophobicContact CE1-CD2 4.36Å; L770-L774 HydrophobicContact CD1-CB 4.2Å; L774-N799 CarbonylContact C-O 3.46Å; L774-N799 WeakPolarHBondContact CA-O 3.49Å; L774-N799 HydrophobicContact CD1-CB 4.44Å; L774-N799 WeakPolarHBondContact CD1-O 3.21Å; L774-L801 HydrophobicContact CD1-CB 4.5Å
775	T	94.9	Very high	87.9	Confident	17 Å²	17	61.8 Å²	61.8	10%	0.104	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	127.5	-177.3	-56.7	0	0	0	0	110.3	R722 D724 P773 V777 N799 Y800 L801	R722-T775 CarbonylContact O-C 3.3Å; R722-T775 WeakPolarHBondContact O-CA 3.18Å; R722-T775 WeakPolarHBondContact O-CG2 3.25Å; D724-T775 HydrophobicContact CB-CG2 3.9Å; P773-T775 PolarHBondContact O-N 2.99Å; P773-T775 PolarHBondContact O-OG1 3.04Å; T775-V777 HydrophobicContact CG2-CG1 4.02Å; T775-N799 PolarHBondContact N-O 3.07Å; T775-Y800 HydrophobicContact CG2-CD2 3.64Å; T775-Y800 HydrophobicContact CG2-CE2 3.53Å; T775-Y800 CarbonylContact O-C 3.46Å; T775-Y800 WeakPolarHBondContact O-CA 3.43Å; T775-L801 PolarHBondContact O-N 2.66Å
776	I	96.8	Very high	88.4	Confident	0 Å²	0	63.3 Å²	63.3	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	120.7	-174.8	-58.8	149.2	0	0	0	108.6	C721 R722 P723 D724 Y727 V734 L737 F738 L803	C721-I776 HydrophobicContact CB-CD1 3.77Å; R722-I776 PolarHBondContact O-N 2.75Å; P723-I776 CarbonylContact C-O 3.57Å; P723-I776 VanDerWaalsContact CA-O 3.29Å; P723-I776 WeakPolarHBondContact CA-O 3.47Å; D724-I776 PolarHBondContact N-O 3.14Å; Y727-I776 HydrophobicContact CD2-CG2 4.2Å; V734-I776 HydrophobicContact CG2-CG2 4.38Å; L737-I776 HydrophobicContact CD2-CD1 3.77Å; L737-I776 HydrophobicContact CD2-CG1 4Å; L737-I776 HydrophobicContact CD2-CG2 4.16Å; F738-I776 HydrophobicContact CE1-CD1 3.64Å; F738-I776 HydrophobicContact CZ-CD1 3.78Å; I776-L803 HydrophobicContact CG2-CB 4.46Å; I776-L803 HydrophobicContact CG2-CD2 4.35Å
777	V	95.8	Very high	88.5	Confident	5 Å²	5	64.7 Å²	64.7	3%	0.03	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	158.8	-177.6	-52.9	0	0	0	0	113.5	D724 H725 Y727 T775 K779 Y800 L801 K802 L803	D724-V777 HydrophobicContact CB-CG1 4.01Å; D724-V777 WeakPolarHBondContact O-CA 3.3Å; D724-V777 WeakPolarHBondContact O-CG1 3.43Å; H725-V777 HydrophobicContact CB-CB 4.05Å; H725-V777 HydrophobicContact CB-CG1 3.98Å; Y727-V777 WeakPolarHBondContact CE2-O 3.44Å; T775-V777 HydrophobicContact CG2-CG1 4.02Å; V777-K779 PolarHBondContact O-N 3.35Å; V777-Y800 HydrophobicContact CB-CE1 3.99Å; V777-Y800 HydrophobicContact CG1-CD1 4.44Å; V777-Y800 HydrophobicContact CG1-CE1 3.63Å; V777-Y800 HydrophobicContact CG1-CE2 3.84Å; V777-Y800 WeakPolarHBondContact CG1-OH 3.21Å; V777-Y800 HydrophobicContact CG2-CD1 3.94Å; V777-Y800 HydrophobicContact CG2-CE1 3.15Å; V777-L801 PolarHBondContact N-O 3.23Å; V777-K802 HydrophobicContact CG2-CB 4.38Å; V777-K802 HydrophobicContact CG2-CG 3.78Å; V777-L803 PolarHBondContact O-N 2.89Å
778	R	95	Very high	88.9	Confident	110 Å²	110	65.3 Å²	65.3	42%	0.415	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	123.8	178.4	-172.2	175.1	-175.3	157.2	13.2	110.4	H725 Y727 D805	H725-R778 PolarHBondContact O-N 3.11Å; Y727-R778 HydrophobicContact CD1-CB 4.17Å; Y727-R778 HydrophobicContact CD2-CB 3.98Å; Y727-R778 HydrophobicContact CE1-CB 3.97Å; Y727-R778 HydrophobicContact CE1-CG 3.96Å; Y727-R778 HydrophobicContact CE2-CB 3.78Å; Y727-R778 HydrophobicContact CE2-CG 4.26Å; Y727-R778 HydrophobicContact CG-CB 4.16Å; R778-D805 IonicContact CZ-OD2 3.43Å; R778-D805 IonicContact NH1-OD2 2.85Å; R778-D805 IonicContact NH2-OD2 3.93Å; R778-D805 PolarHBondContact NH2-OD2 2.97Å
779	K	93.1	Very high	89.2	Confident	50 Å²	50	62.6 Å²	62.6	22%	0.217	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-74.6	125.3	166.7	-167.5	164.5	171	175.7	0	108.8	V777 F781 L791 K802 L803 P804	V777-K779 PolarHBondContact O-N 3.35Å; K779-F781 HydrophobicContact CB-CE2 3.95Å; K779-F781 HydrophobicContact CB-CZ 4.03Å; K779-F781 HydrophobicContact CD-CE1 4.26Å; K779-F781 HydrophobicContact CD-CE2 4.49Å; K779-F781 HydrophobicContact CD-CZ 3.72Å; K779-F781 HydrophobicContact CG-CE1 4.16Å; K779-F781 HydrophobicContact CG-CE2 3.96Å; K779-F781 HydrophobicContact CG-CZ 3.6Å; K779-F781 WeakPolarHBondContact O-CD2 3.39Å; K779-F781 WeakPolarHBondContact O-CE2 3.44Å; K779-L791 PolarHBondContact NZ-O 2.86Å; K779-K802 HydrophobicContact CB-CB 4.36Å; K779-K802 HydrophobicContact CD-CB 4.47Å; K779-L803 PolarHBondContact N-O 3.15Å; K779-P804 HydrophobicContact CB-CG 4.39Å; K779-P804 HydrophobicContact CD-CG 4.22Å
780	T	88.1	Confident	89.5	Confident	122 Å²	122	63.3 Å²	63.3	75%	0.748	34%	0.343	S	S	*	.	P	Polyproline II helix	trans	-91.3	140.7	-179.5	52.2	0	0	0	0	110.5
781	F	87.2	Confident	89.9	Confident	49 Å²	49	64.6 Å²	64.6	22%	0.215	35%	0.35	C	S	.	.			trans	-130.9	157.2	-180	-61.3	-78.2	0	0	0	109.7	K779 E785 P787 F790 P804	K779-F781 HydrophobicContact CB-CE2 3.95Å; K779-F781 HydrophobicContact CB-CZ 4.03Å; K779-F781 HydrophobicContact CD-CE1 4.26Å; K779-F781 HydrophobicContact CD-CE2 4.49Å; K779-F781 HydrophobicContact CD-CZ 3.72Å; K779-F781 HydrophobicContact CG-CE1 4.16Å; K779-F781 HydrophobicContact CG-CE2 3.96Å; K779-F781 HydrophobicContact CG-CZ 3.6Å; K779-F781 WeakPolarHBondContact O-CD2 3.39Å; K779-F781 WeakPolarHBondContact O-CE2 3.44Å; F781-E785 HydrophobicContact CB-CB 4.08Å; F781-P787 HydrophobicContact CD2-CB 4.07Å; F781-P787 HydrophobicContact CD2-CG 3.98Å; F781-P787 HydrophobicContact CE2-CB 3.93Å; F781-P787 HydrophobicContact CE2-CG 4.35Å; F781-F790 HydrophobicContact CD1-CD1 4.47Å; F781-F790 AromaticContact CD1-CD2 3.74Å; F781-F790 HydrophobicContact CD1-CD2 3.74Å; F781-F790 HydrophobicContact CD1-CE1 4.5Å; F781-F790 AromaticContact CD1-CE2 3.8Å; F781-F790 HydrophobicContact CD1-CE2 3.8Å; F781-F790 HydrophobicContact CD1-CG 4.09Å; F781-F790 HydrophobicContact CD1-CZ 4.18Å; F781-F790 HydrophobicContact CE1-CB 3.64Å; F781-F790 AromaticContact CE1-CD1 3.79Å; F781-F790 HydrophobicContact CE1-CD1 3.79Å; F781-F790 AromaticContact CE1-CD2 3.32Å; F781-F790 HydrophobicContact CE1-CD2 3.32Å; F781-F790 HydrophobicContact CE1-CE1 4.24Å; F781-F790 AromaticContact CE1-CE2 3.85Å; F781-F790 HydrophobicContact CE1-CE2 3.85Å; F781-F790 AromaticContact CE1-CG 3.28Å; F781-F790 HydrophobicContact CE1-CG 3.28Å; F781-F790 HydrophobicContact CE1-CZ 4.27Å; F781-F790 HydrophobicContact CZ-CB 3.73Å; F781-F790 AromaticContact CZ-CD2 3.95Å; F781-F790 HydrophobicContact CZ-CD2 3.95Å; F781-F790 AromaticContact CZ-CG 3.9Å; F781-F790 HydrophobicContact CZ-CG 3.9Å; F781-P804 HydrophobicContact CE2-CB 3.78Å; F781-P804 HydrophobicContact CE2-CG 4.16Å; F781-P804 HydrophobicContact CZ-CB 3.99Å; F781-P804 HydrophobicContact CZ-CG 3.89Å
782	E	86.5	Confident	90.6	Very high	138 Å²	138	61 Å²	61	65%	0.645	33%	0.331	S	S	*	.			trans	-68.5	155	170.8	-65.4	-174.8	176.2	0	0	110.3	T784 E785	E782-T784 PolarHBondContact O-N 3.43Å; E782-E785 HydrophobicContact CB-CG 4.29Å; E782-E785 PolarHBondContact N-OE2 3.32Å; E782-E785 PolarHBondContact O-N 2.89Å
783	S	80	Confident	90.9	Very high	132 Å²	132	59.3 Å²	59.3	92%	0.923	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-15.5	-175.4	50.4	0	0	0	0	114.7
784	T	84.9	Confident	90.8	Very high	123 Å²	123	57.2 Å²	57.2	76%	0.755	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.8	-7.8	178.6	47	0	0	0	0	113.8	E782	E782-T784 PolarHBondContact O-N 3.43Å
785	E	90.3	Very high	90.4	Very high	78 Å²	78	59.8 Å²	59.8	36%	0.364	32%	0.319	S	S	.	.	S	Bend	trans	-101.2	138.9	-175.3	-65.5	-178.2	132.1	0	0	111.1	F781 E782 F790	F781-E785 HydrophobicContact CB-CB 4.08Å; E782-E785 HydrophobicContact CB-CG 4.29Å; E782-E785 PolarHBondContact N-OE2 3.32Å; E782-E785 PolarHBondContact O-N 2.89Å; E785-F790 HydrophobicContact CB-CE2 4Å; E785-F790 HydrophobicContact CB-CZ 4.26Å; E785-F790 HydrophobicContact CG-CZ 4.32Å
786	N	91	Very high	89.8	Confident	75 Å²	75	59.8 Å²	59.8	40%	0.401	32%	0.319	S	S	.	.			trans	-91.1	120.8	175.6	-177.2	0.7	0	0	0	110.2	D788 D789 F790	N786-D788 PolarHBondContact O-N 2.96Å; N786-D788 VanDerWaalsContact O-N 3.09Å; N786-D788 PolarHBondContact OD1-N 2.88Å; N786-D788 VanDerWaalsContact OD1-N 3.12Å; N786-D789 PolarHBondContact O-N 3.42Å; N786-D789 VanDerWaalsContact O-N 3.08Å; N786-F790 VanDerWaalsContact O-CD2 3.24Å; N786-F790 WeakPolarHBondContact O-CD2 3.15Å; N786-F790 WeakPolarHBondContact O-CE2 3.32Å
787	P	91.2	Very high	88.7	Confident	32 Å²	32	62.2 Å²	62.2	21%	0.208	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-53.6	-29.6	176.8	-27.1	35.2	0	0	0	114.4	F781 D789 F790 P804 Y806	F781-P787 HydrophobicContact CD2-CB 4.07Å; F781-P787 HydrophobicContact CD2-CG 3.98Å; F781-P787 HydrophobicContact CE2-CB 3.93Å; F781-P787 HydrophobicContact CE2-CG 4.35Å; P787-D789 PolarHBondContact O-N 2.8Å; P787-F790 PolarHBondContact O-N 2.96Å; P787-P804 HydrophobicContact CB-CB 4.04Å; P787-Y806 WeakPolarHBondContact O-CE1 3.48Å
788	D	94.6	Very high	88.1	Confident	20 Å²	20	65.4 Å²	65.4	11%	0.107	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	-65.3	-20.7	-179.5	-66.1	-17.5	0	0	0	113.8	N786 F790 Y806 S807 I811 K815	N786-D788 PolarHBondContact O-N 2.96Å; N786-D788 VanDerWaalsContact O-N 3.09Å; N786-D788 PolarHBondContact OD1-N 2.88Å; N786-D788 VanDerWaalsContact OD1-N 3.12Å; D788-F790 VanDerWaalsContact C-N 3.33Å; D788-Y806 VanDerWaalsContact OD1-CA 3.25Å; D788-Y806 WeakPolarHBondContact OD1-CA 3.4Å; D788-S807 PolarHBondContact OD1-N 2.74Å; D788-S807 WeakPolarHBondContact OD2-CB 3.26Å; D788-S807 PolarHBondContact OD2-OG 3.38Å; D788-I811 HydrophobicContact CB-CD1 4.45Å; D788-I811 HydrophobicContact CB-CG2 4.13Å; D788-K815 WeakPolarHBondContact O-CE 3.28Å; D788-K815 PolarHBondContact O-NZ 3.4Å
789	D	92.1	Very high	87.7	Confident	113 Å²	113	60.6 Å²	60.6	60%	0.604	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-80.5	-18.8	-178.4	-64.9	-28.9	0	0	0	112.1	N786 P787 K815	N786-D789 PolarHBondContact O-N 3.42Å; N786-D789 VanDerWaalsContact O-N 3.08Å; P787-D789 PolarHBondContact O-N 2.8Å; D789-K815 PolarHBondContact O-NZ 3.29Å
790	F	91.5	Very high	87.6	Confident	67 Å²	67	60.4 Å²	60.4	29%	0.294	34%	0.335	S	S	.	.	S	Bend	trans	-101.8	146.4	-171.3	-62.3	-93.4	0	0	0	112.9	F781 E785 N786 P787 D788 Y806	F781-F790 HydrophobicContact CD1-CD1 4.47Å; F781-F790 AromaticContact CD1-CD2 3.74Å; F781-F790 HydrophobicContact CD1-CD2 3.74Å; F781-F790 HydrophobicContact CD1-CE1 4.5Å; F781-F790 AromaticContact CD1-CE2 3.8Å; F781-F790 HydrophobicContact CD1-CE2 3.8Å; F781-F790 HydrophobicContact CD1-CG 4.09Å; F781-F790 HydrophobicContact CD1-CZ 4.18Å; F781-F790 HydrophobicContact CE1-CB 3.64Å; F781-F790 AromaticContact CE1-CD1 3.79Å; F781-F790 HydrophobicContact CE1-CD1 3.79Å; F781-F790 AromaticContact CE1-CD2 3.32Å; F781-F790 HydrophobicContact CE1-CD2 3.32Å; F781-F790 HydrophobicContact CE1-CE1 4.24Å; F781-F790 AromaticContact CE1-CE2 3.85Å; F781-F790 HydrophobicContact CE1-CE2 3.85Å; F781-F790 AromaticContact CE1-CG 3.28Å; F781-F790 HydrophobicContact CE1-CG 3.28Å; F781-F790 HydrophobicContact CE1-CZ 4.27Å; F781-F790 HydrophobicContact CZ-CB 3.73Å; F781-F790 AromaticContact CZ-CD2 3.95Å; F781-F790 HydrophobicContact CZ-CD2 3.95Å; F781-F790 AromaticContact CZ-CG 3.9Å; F781-F790 HydrophobicContact CZ-CG 3.9Å; E785-F790 HydrophobicContact CB-CE2 4Å; E785-F790 HydrophobicContact CB-CZ 4.26Å; E785-F790 HydrophobicContact CG-CZ 4.32Å; N786-F790 VanDerWaalsContact O-CD2 3.24Å; N786-F790 WeakPolarHBondContact O-CD2 3.15Å; N786-F790 WeakPolarHBondContact O-CE2 3.32Å; P787-F790 PolarHBondContact O-N 2.96Å; D788-F790 VanDerWaalsContact C-N 3.33Å; F790-Y806 WeakPolarHBondContact O-CE1 3.2Å; F790-Y806 PolarHBondContact O-OH 2.96Å
791	L	92.3	Very high	87.9	Confident	45 Å²	45	54.6 Å²	54.6	24%	0.236	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-78.4	152.7	170.2	-67.7	174.4	0	0	0	111.2	K779 K815 I818 A819	K779-L791 PolarHBondContact NZ-O 2.86Å; L791-K815 HydrophobicContact CD2-CB 4.24Å; L791-K815 HydrophobicContact CD2-CD 3.75Å; L791-I818 HydrophobicContact CD1-CG2 4.24Å; L791-I818 HydrophobicContact CD2-CB 4.09Å; L791-I818 HydrophobicContact CD2-CG2 3.78Å; L791-A819 HydrophobicContact CD2-CB 4.35Å
792	P	93.1	Very high	88.3	Confident	1 Å²	1	55.3 Å²	55.3	1%	0.006	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-64.3	153.2	166.2	31.5	-32.4	0	0	0	110	F755 L801 K802 L803 Y806 L816 A819	F755-P792 HydrophobicContact CE1-CG 4.34Å; F755-P792 HydrophobicContact CZ-CG 4.38Å; P792-L801 HydrophobicContact CB-CD1 4.05Å; P792-K802 WeakPolarHBondContact CA-O 3.4Å; P792-L803 HydrophobicContact CB-CD1 4.26Å; P792-Y806 VanDerWaalsContact CD-OH 3.25Å; P792-Y806 WeakPolarHBondContact CD-OH 3.47Å; P792-L816 HydrophobicContact CG-CD2 4.11Å; P792-A819 HydrophobicContact CG-CB 3.68Å
793	S	88.8	Confident	88.8	Confident	10 Å²	10	48.8 Å²	48.8	7%	0.07	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	159.5	173.8	52.2	0	0	0	0	111.6	K802 L829	S793-K802 PolarHBondContact N-O 3.05Å; S793-K802 VanDerWaalsContact N-O 3.1Å; S793-K802 PolarHBondContact O-N 3.14Å; S793-L829 WeakPolarHBondContact CB-O 3.5Å
794	V	87.8	Confident	89.5	Confident	13 Å²	13	42.5 Å²	42.5	8%	0.079	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	148.1	-170.6	-70.1	0	0	0	0	111.4	F755 V756 T796 Y800 L801	F755-V794 HydrophobicContact CD1-CG1 3.94Å; F755-V794 HydrophobicContact CD2-CG1 4.46Å; F755-V794 HydrophobicContact CD2-CG2 4.07Å; F755-V794 HydrophobicContact CE1-CG1 3.43Å; F755-V794 VanDerWaalsContact CE1-CG1 3.43Å; F755-V794 HydrophobicContact CE2-CB 4.5Å; F755-V794 HydrophobicContact CE2-CG1 4.02Å; F755-V794 HydrophobicContact CE2-CG2 3.67Å; F755-V794 HydrophobicContact CG-CG1 4.43Å; F755-V794 HydrophobicContact CZ-CB 4.33Å; F755-V794 HydrophobicContact CZ-CG1 3.48Å; F755-V794 VanDerWaalsContact CZ-CG1 3.48Å; F755-V794 HydrophobicContact CZ-CG2 3.98Å; F755-V794 WeakPolarHBondContact O-CG2 3.43Å; V756-V794 HydrophobicContact CB-CG1 4.47Å; V756-V794 HydrophobicContact CG1-CG1 3.99Å; V794-T796 HydrophobicContact CB-CG2 4.46Å; V794-T796 HydrophobicContact CG2-CG2 4.06Å; V794-Y800 CarbonylContact C-O 3.58Å; V794-Y800 VanDerWaalsContact CA-O 3.28Å; V794-Y800 WeakPolarHBondContact CA-O 3.36Å; V794-L801 HydrophobicContact CG1-CD1 3.71Å
795	M	83.9	Confident	90	Very high	56 Å²	56	38.7 Å²	38.7	28%	0.276	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	90.1	163.1	-67.7	161.2	-74.2	0	0	107.2	C797 V798 N799 Y800 K802	M795-C797 VanDerWaalsContact C-N 3.26Å; M795-C797 PolarHBondContact O-N 3.03Å; M795-V798 HydrophobicContact CB-CG2 3.85Å; M795-V798 PolarHBondContact O-N 3.18Å; M795-V798 VanDerWaalsContact O-N 3.14Å; M795-N799 PolarHBondContact O-N 3.39Å; M795-Y800 HydrophobicContact CE-CD1 3.17Å; M795-Y800 HydrophobicContact CE-CE1 3.6Å; M795-Y800 HydrophobicContact CE-CG 3.88Å; M795-Y800 PolarHBondContact N-O 2.81Å; M795-Y800 PolarHBondContact O-N 2.77Å; M795-K802 HydrophobicContact CE-CD 3.94Å; M795-K802 HydrophobicContact CE-CG 4.18Å
796	T	81.3	Confident	90.3	Very high	16 Å²	16	35 Å²	35	10%	0.098	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-61	-32.6	-172.1	54.2	0	0	0	0	112.8	F755 V794 V798 N799	F755-T796 VanDerWaalsContact O-CG2 3.28Å; F755-T796 WeakPolarHBondContact O-CG2 3.49Å; V794-T796 HydrophobicContact CB-CG2 4.46Å; V794-T796 HydrophobicContact CG2-CG2 4.06Å; T796-V798 PolarHBondContact O-N 3.23Å; T796-V798 VanDerWaalsContact O-N 3.09Å; T796-N799 PolarHBondContact O-N 3.27Å; T796-N799 PolarHBondContact O-OD1 2.94Å
797	C	75.4	Confident	90.5	Very high	52 Å²	52	34.4 Å²	34.4	35%	0.351	19%	0.188	S	C	.	.	G	3₁₀ helix	trans	-59.3	-22.6	177.5	-68.2	0	0	0	0	114.4	G467 M795	G467-C797 PolarHBondContact N-SG 3.07Å; M795-C797 VanDerWaalsContact C-N 3.26Å; M795-C797 PolarHBondContact O-N 3.03Å
798	V	82.1	Confident	90.8	Very high	72 Å²	72	34.5 Å²	34.5	44%	0.436	19%	0.19	S	C	.	.	G	3₁₀ helix	trans	-127.6	17.6	-178.9	-68.6	0	0	0	0	112.3	P772 M795 T796 Y800	P772-V798 HydrophobicContact CG-CB 4.28Å; P772-V798 WeakPolarHBondContact CG-O 3.32Å; M795-V798 HydrophobicContact CB-CG2 3.85Å; M795-V798 PolarHBondContact O-N 3.18Å; M795-V798 VanDerWaalsContact O-N 3.14Å; T796-V798 PolarHBondContact O-N 3.23Å; T796-V798 VanDerWaalsContact O-N 3.09Å; V798-Y800 PolarHBondContact O-N 3.25Å
799	N	87.5	Confident	91	Very high	9 Å²	9	35 Å²	35	5%	0.048	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	46.3	54.8	-179.1	-61.3	-34.2	0	0	0	112.4	P772 L774 T775 M795 T796	P772-N799 PolarHBondContact O-ND2 3.27Å; L774-N799 CarbonylContact C-O 3.46Å; L774-N799 WeakPolarHBondContact CA-O 3.49Å; L774-N799 HydrophobicContact CD1-CB 4.44Å; L774-N799 WeakPolarHBondContact CD1-O 3.21Å; T775-N799 PolarHBondContact N-O 3.07Å; M795-N799 PolarHBondContact O-N 3.39Å; T796-N799 PolarHBondContact O-N 3.27Å; T796-N799 PolarHBondContact O-OD1 2.94Å
800	Y	90.6	Very high	91.2	Very high	46 Å²	46	34.7 Å²	34.7	18%	0.18	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	119.1	-170	-161.2	-81.4	0	0	0	111.2	T775 V777 V794 M795 V798 K802	T775-Y800 HydrophobicContact CG2-CD2 3.64Å; T775-Y800 HydrophobicContact CG2-CE2 3.53Å; T775-Y800 CarbonylContact O-C 3.46Å; T775-Y800 WeakPolarHBondContact O-CA 3.43Å; V777-Y800 HydrophobicContact CB-CE1 3.99Å; V777-Y800 HydrophobicContact CG1-CD1 4.44Å; V777-Y800 HydrophobicContact CG1-CE1 3.63Å; V777-Y800 HydrophobicContact CG1-CE2 3.84Å; V777-Y800 WeakPolarHBondContact CG1-OH 3.21Å; V777-Y800 HydrophobicContact CG2-CD1 3.94Å; V777-Y800 HydrophobicContact CG2-CE1 3.15Å; V794-Y800 CarbonylContact C-O 3.58Å; V794-Y800 VanDerWaalsContact CA-O 3.28Å; V794-Y800 WeakPolarHBondContact CA-O 3.36Å; M795-Y800 HydrophobicContact CE-CD1 3.17Å; M795-Y800 HydrophobicContact CE-CE1 3.6Å; M795-Y800 HydrophobicContact CE-CG 3.88Å; M795-Y800 PolarHBondContact N-O 2.81Å; M795-Y800 PolarHBondContact O-N 2.77Å; V798-Y800 PolarHBondContact O-N 3.25Å; Y800-K802 HydrophobicContact CD1-CG 4.34Å; Y800-K802 HydrophobicContact CE1-CG 4.26Å
801	L	94.6	Very high	91.5	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	113	-176.8	176	63.9	0	0	0	110.4	L737 F752 F755 V756 L774 T775 V777 P792 V794 L803	L737-L801 HydrophobicContact CD1-CD2 4.46Å; L737-L801 HydrophobicContact CD2-CD2 4Å; F752-L801 HydrophobicContact CE2-CD2 4.35Å; F752-L801 HydrophobicContact CZ-CD2 4.27Å; F755-L801 HydrophobicContact CE1-CD1 4.13Å; V756-L801 HydrophobicContact CG1-CD1 4.35Å; L774-L801 HydrophobicContact CD1-CB 4.5Å; T775-L801 PolarHBondContact O-N 2.66Å; V777-L801 PolarHBondContact N-O 3.23Å; P792-L801 HydrophobicContact CB-CD1 4.05Å; V794-L801 HydrophobicContact CG1-CD1 3.71Å; L801-L803 HydrophobicContact CG-CB 4.44Å; L801-L803 PolarHBondContact O-N 2.84Å
802	K	94.8	Very high	91.8	Very high	64 Å²	64	31.9 Å²	31.9	28%	0.278	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	103.5	170.9	-71.2	168.3	167.7	160.1	0	109	V777 K779 P792 S793 M795 Y800	V777-K802 HydrophobicContact CG2-CB 4.38Å; V777-K802 HydrophobicContact CG2-CG 3.78Å; K779-K802 HydrophobicContact CB-CB 4.36Å; K779-K802 HydrophobicContact CD-CB 4.47Å; P792-K802 WeakPolarHBondContact CA-O 3.4Å; S793-K802 PolarHBondContact N-O 3.05Å; S793-K802 VanDerWaalsContact N-O 3.1Å; S793-K802 PolarHBondContact O-N 3.14Å; M795-K802 HydrophobicContact CE-CD 3.94Å; M795-K802 HydrophobicContact CE-CG 4.18Å; Y800-K802 HydrophobicContact CD1-CG 4.34Å; Y800-K802 HydrophobicContact CE1-CG 4.26Å
803	L	96.4	Very high	92	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	122.1	-173.2	-174	71.9	0	0	0	111.1	Y727 A733 L737 I776 V777 K779 P792 L801 Y806 M812 L816	Y727-L803 HydrophobicContact CE2-CB 4.12Å; Y727-L803 WeakPolarHBondContact CE2-O 3.45Å; Y727-L803 PolarHBondContact OH-O 3.27Å; A733-L803 HydrophobicContact CB-CD2 4.42Å; L737-L803 HydrophobicContact CB-CD2 4.24Å; L737-L803 HydrophobicContact CD2-CD2 4.26Å; I776-L803 HydrophobicContact CG2-CB 4.46Å; I776-L803 HydrophobicContact CG2-CD2 4.35Å; V777-L803 PolarHBondContact O-N 2.89Å; K779-L803 PolarHBondContact N-O 3.15Å; P792-L803 HydrophobicContact CB-CD1 4.26Å; L801-L803 HydrophobicContact CG-CB 4.44Å; L801-L803 PolarHBondContact O-N 2.84Å; L803-Y806 HydrophobicContact CD1-CD2 4.43Å; L803-Y806 HydrophobicContact CD1-CE2 3.86Å; L803-M812 HydrophobicContact CD2-CE 3.91Å; L803-M812 HydrophobicContact CD2-SD 4.27Å; L803-M812 HydrophobicContact CG-CE 4.38Å; L803-L816 HydrophobicContact CD1-CD2 4.37Å
804	P	96.2	Very high	92.3	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.211	C	C	.	.			trans	-59.4	150.2	169.3	-23.9	34.9	0	0	0	112.5	Y727 K779 F781 P787 Y806	Y727-P804 VanDerWaalsContact OH-C 3.27Å; Y727-P804 PolarHBondContact OH-O 2.83Å; K779-P804 HydrophobicContact CB-CG 4.39Å; K779-P804 HydrophobicContact CD-CG 4.22Å; F781-P804 HydrophobicContact CE2-CB 3.78Å; F781-P804 HydrophobicContact CE2-CG 4.16Å; F781-P804 HydrophobicContact CZ-CB 3.99Å; F781-P804 HydrophobicContact CZ-CG 3.89Å; P787-P804 HydrophobicContact CB-CB 4.04Å; P804-Y806 HydrophobicContact CB-CD1 4.08Å; P804-Y806 HydrophobicContact CB-CD2 4.33Å; P804-Y806 HydrophobicContact CB-CE1 3.68Å; P804-Y806 HydrophobicContact CB-CE2 3.98Å; P804-Y806 HydrophobicContact CB-CG 4.39Å; P804-Y806 WeakPolarHBondContact CD-OH 3.42Å; P804-Y806 HydrophobicContact CG-CE1 3.92Å; P804-Y806 HydrophobicContact CG-CE2 4.07Å; P804-Y806 WeakPolarHBondContact CG-OH 3.39Å; P804-Y806 WeakPolarHBondContact O-CD2 3.13Å; P804-Y806 PolarHBondContact O-N 2.84Å
805	D	94.9	Very high	92.7	Very high	43 Å²	43	40.7 Å²	40.7	23%	0.23	22%	0.216	C	C	.	.			trans	-83.2	70.4	175.4	-173.9	10.9	0	0	0	109.6	Y727 R732 R778	Y727-D805 VanDerWaalsContact OH-CA 3.23Å; Y727-D805 WeakPolarHBondContact OH-CA 3.48Å; Y727-D805 WeakPolarHBondContact OH-CB 3.47Å; Y727-D805 PolarHBondContact OH-N 2.91Å; Y727-D805 VanDerWaalsContact OH-N 3.16Å; R732-D805 IonicContact NH2-OD1 2.73Å; R732-D805 PolarHBondContact NH2-OD1 2.81Å; R732-D805 VanDerWaalsContact NH2-OD1 3.17Å; R778-D805 IonicContact CZ-OD2 3.43Å; R778-D805 IonicContact NH1-OD2 2.85Å; R778-D805 IonicContact NH2-OD2 3.93Å; R778-D805 PolarHBondContact NH2-OD2 2.97Å
806	Y	97	Very high	93.2	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.203	C	C	.	.			trans	-57.7	146.5	-174.6	-63.8	-66.7	0	0	0	112.8	R732 P787 D788 F790 P792 L803 P804 S808 I811 M812 K815	R732-Y806 PolarHBondContact NH2-O 3.31Å; P787-Y806 WeakPolarHBondContact O-CE1 3.48Å; D788-Y806 VanDerWaalsContact OD1-CA 3.25Å; D788-Y806 WeakPolarHBondContact OD1-CA 3.4Å; F790-Y806 WeakPolarHBondContact O-CE1 3.2Å; F790-Y806 PolarHBondContact O-OH 2.96Å; P792-Y806 VanDerWaalsContact CD-OH 3.25Å; P792-Y806 WeakPolarHBondContact CD-OH 3.47Å; L803-Y806 HydrophobicContact CD1-CD2 4.43Å; L803-Y806 HydrophobicContact CD1-CE2 3.86Å; P804-Y806 HydrophobicContact CB-CD1 4.08Å; P804-Y806 HydrophobicContact CB-CD2 4.33Å; P804-Y806 HydrophobicContact CB-CE1 3.68Å; P804-Y806 HydrophobicContact CB-CE2 3.98Å; P804-Y806 HydrophobicContact CB-CG 4.39Å; P804-Y806 WeakPolarHBondContact CD-OH 3.42Å; P804-Y806 HydrophobicContact CG-CE1 3.92Å; P804-Y806 HydrophobicContact CG-CE2 4.07Å; P804-Y806 WeakPolarHBondContact CG-OH 3.39Å; P804-Y806 WeakPolarHBondContact O-CD2 3.13Å; P804-Y806 PolarHBondContact O-N 2.84Å; Y806-S808 VanDerWaalsContact C-N 3.34Å; Y806-S808 PolarHBondContact O-N 3.19Å; Y806-I811 HydrophobicContact CD1-CG2 3.74Å; Y806-I811 HydrophobicContact CE1-CG2 4.34Å; Y806-I811 HydrophobicContact CG-CG2 4.29Å; Y806-M812 HydrophobicContact CD2-CB 3.57Å; Y806-M812 HydrophobicContact CD2-CE 3.74Å; Y806-M812 HydrophobicContact CD2-CG 3.64Å; Y806-M812 HydrophobicContact CE2-CB 4.25Å; Y806-M812 HydrophobicContact CE2-CG 4.03Å; Y806-M812 HydrophobicContact CG-CB 4.1Å; Y806-K815 HydrophobicContact CE1-CB 4.13Å; Y806-K815 HydrophobicContact CE1-CG 3.84Å; Y806-K815 HydrophobicContact CE2-CB 4.42Å; Y806-K815 WeakPolarHBondContact OH-CB 3.42Å
807	S	95.3	Very high	93.7	Very high	64 Å²	64	38.4 Å²	38.4	45%	0.448	20%	0.204	S	C	.	.	S	Bend	trans	-70	-28.7	-178.3	68.6	0	0	0	0	113.1	R732 D788 I811	R732-S807 PolarHBondContact NH1-O 2.98Å; D788-S807 PolarHBondContact OD1-N 2.74Å; D788-S807 WeakPolarHBondContact OD2-CB 3.26Å; D788-S807 PolarHBondContact OD2-OG 3.38Å; S807-I811 WeakPolarHBondContact OG-CD1 3.34Å
808	S	97.5	Very high	94.5	Very high	34 Å²	34	38.1 Å²	38.1	24%	0.238	20%	0.199	C	C	.	.	S	Bend	trans	-140.3	160.3	179	80.1	0	0	0	0	113.8	Y806 D810 I811 M812	Y806-S808 VanDerWaalsContact C-N 3.34Å; Y806-S808 PolarHBondContact O-N 3.19Å; S808-D810 VanDerWaalsContact C-N 3.3Å; S808-D810 PolarHBondContact O-N 2.94Å; S808-I811 WeakPolarHBondContact OG-CD1 3.4Å; S808-I811 WeakPolarHBondContact OG-CG1 3.18Å; S808-I811 PolarHBondContact OG-N 2.76Å; S808-M812 PolarHBondContact O-N 2.76Å
809	I	97.4	Very high	94.8	Very high	31 Å²	31	34.8 Å²	34.8	16%	0.159	18%	0.178	C	C	.	.	H	α-helix	trans	-65.2	-34.1	175.8	-166.5	171.6	0	0	0	111.9	F736 E739 I740 M812 R813	F736-I809 HydrophobicContact CB-CG1 4.14Å; F736-I809 HydrophobicContact CD1-CB 4.14Å; F736-I809 HydrophobicContact CD1-CD1 4.25Å; F736-I809 HydrophobicContact CD1-CG1 4.31Å; F736-I809 HydrophobicContact CD2-CB 4.08Å; F736-I809 HydrophobicContact CE1-CB 4.34Å; F736-I809 HydrophobicContact CE2-CB 4.28Å; F736-I809 HydrophobicContact CG-CB 4Å; F736-I809 HydrophobicContact CG-CG1 4.13Å; F736-I809 HydrophobicContact CZ-CB 4.4Å; E739-I809 HydrophobicContact CB-CD1 4.18Å; E739-I809 HydrophobicContact CG-CD1 4Å; I740-I809 HydrophobicContact CD1-CG1 3.69Å; I740-I809 WeakPolarHBondContact CD1-O 3.43Å; I740-I809 HydrophobicContact CG1-CD1 4.05Å; I740-I809 HydrophobicContact CG1-CG1 3.62Å; I809-M812 PolarHBondContact O-N 3.42Å; I809-R813 WeakPolarHBondContact O-CB 3.45Å; I809-R813 PolarHBondContact O-N 3.09Å
810	D	97.6	Very high	94.8	Very high	106 Å²	106	34.5 Å²	34.5	57%	0.567	18%	0.177	S	C	*	.	H	α-helix	trans	-68.9	-41.9	-179.3	-61.3	-48.6	0	0	0	111.7	S808 M812 R813 D814	S808-D810 VanDerWaalsContact C-N 3.3Å; S808-D810 PolarHBondContact O-N 2.94Å; D810-M812 VanDerWaalsContact C-N 3.35Å; D810-R813 PolarHBondContact O-N 3.34Å; D810-D814 PolarHBondContact O-N 2.98Å
811	I	97.1	Very high	94.4	Very high	53 Å²	53	39.2 Å²	39.2	27%	0.272	20%	0.195	S	C	.	.	H	α-helix	trans	-62.7	-45.3	174.5	-67.3	167.1	0	0	0	109.8	D788 Y806 S807 S808 R813 D814 K815	D788-I811 HydrophobicContact CB-CD1 4.45Å; D788-I811 HydrophobicContact CB-CG2 4.13Å; Y806-I811 HydrophobicContact CD1-CG2 3.74Å; Y806-I811 HydrophobicContact CE1-CG2 4.34Å; Y806-I811 HydrophobicContact CG-CG2 4.29Å; S807-I811 WeakPolarHBondContact OG-CD1 3.34Å; S808-I811 WeakPolarHBondContact OG-CD1 3.4Å; S808-I811 WeakPolarHBondContact OG-CG1 3.18Å; S808-I811 PolarHBondContact OG-N 2.76Å; I811-R813 VanDerWaalsContact C-N 3.33Å; I811-R813 PolarHBondContact O-N 3.5Å; I811-D814 PolarHBondContact O-N 2.98Å; I811-K815 HydrophobicContact CG2-CG 4.11Å; I811-K815 WeakPolarHBondContact O-CB 3.17Å; I811-K815 WeakPolarHBondContact O-CG 3.42Å; I811-K815 PolarHBondContact O-N 2.81Å
812	M	97.8	Very high	93.6	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-59.4	-44.3	176.9	-177.2	-179.3	-67.3	0	0	111.7	A733 F736 L737 I740 L803 Y806 S808 I809 D810 K815 L816	A733-M812 HydrophobicContact CB-CE 3.93Å; A733-M812 WeakPolarHBondContact O-CE 3.46Å; F736-M812 HydrophobicContact CB-CE 3.88Å; F736-M812 HydrophobicContact CB-SD 3.7Å; F736-M812 HydrophobicContact CD2-CE 4.35Å; L737-M812 HydrophobicContact CB-SD 4.1Å; I740-M812 HydrophobicContact CD1-CB 3.79Å; I740-M812 HydrophobicContact CD1-CG 3.64Å; I740-M812 HydrophobicContact CD1-SD 3.74Å; L803-M812 HydrophobicContact CD2-CE 3.91Å; L803-M812 HydrophobicContact CD2-SD 4.27Å; L803-M812 HydrophobicContact CG-CE 4.38Å; Y806-M812 HydrophobicContact CD2-CB 3.57Å; Y806-M812 HydrophobicContact CD2-CE 3.74Å; Y806-M812 HydrophobicContact CD2-CG 3.64Å; Y806-M812 HydrophobicContact CE2-CB 4.25Å; Y806-M812 HydrophobicContact CE2-CG 4.03Å; Y806-M812 HydrophobicContact CG-CB 4.1Å; S808-M812 PolarHBondContact O-N 2.76Å; I809-M812 PolarHBondContact O-N 3.42Å; D810-M812 VanDerWaalsContact C-N 3.35Å; M812-K815 PolarHBondContact O-N 3.48Å; M812-L816 HydrophobicContact CG-CD1 3.73Å; M812-L816 HydrophobicContact CG-CG 4.26Å; M812-L816 VanDerWaalsContact O-CB 3.29Å; M812-L816 WeakPolarHBondContact O-CB 3.33Å; M812-L816 WeakPolarHBondContact O-CG 3.45Å; M812-L816 PolarHBondContact O-N 3.08Å; M812-L816 HydrophobicContact SD-CD1 4.41Å
813	R	97.3	Very high	92.2	Very high	78 Å²	78	43.1 Å²	43.1	29%	0.294	22%	0.218	S	C	.	.	H	α-helix	trans	-60.1	-48.9	178.3	178.6	-178.4	-90	123.7	-6.6	111	I740 S743 I809 D810 I811 L816 L817	I740-R813 HydrophobicContact CD1-CB 4.02Å; I740-R813 HydrophobicContact CG1-CB 4.22Å; I740-R813 HydrophobicContact CG2-CB 4.26Å; I740-R813 HydrophobicContact CG2-CG 4.23Å; S743-R813 PolarHBondContact OG-NH2 2.87Å; I809-R813 WeakPolarHBondContact O-CB 3.45Å; I809-R813 PolarHBondContact O-N 3.09Å; D810-R813 PolarHBondContact O-N 3.34Å; I811-R813 VanDerWaalsContact C-N 3.33Å; I811-R813 PolarHBondContact O-N 3.5Å; R813-L816 PolarHBondContact O-N 3.01Å; R813-L817 HydrophobicContact CG-CD1 4.09Å; R813-L817 WeakPolarHBondContact O-CG 3.49Å; R813-L817 PolarHBondContact O-N 3.17Å
814	D	96	Very high	90.6	Very high	89 Å²	89	45.5 Å²	45.5	48%	0.476	23%	0.229	S	C	.	.	H	α-helix	trans	-61.6	-49.3	179.8	-172.8	56.3	0	0	0	111.5	D810 I811 L816 L817 I818	D810-D814 PolarHBondContact O-N 2.98Å; I811-D814 PolarHBondContact O-N 2.98Å; D814-L816 VanDerWaalsContact C-N 3.35Å; D814-L816 PolarHBondContact O-N 3.3Å; D814-L817 PolarHBondContact O-N 2.96Å; D814-I818 VanDerWaalsContact O-CG1 3.28Å; D814-I818 WeakPolarHBondContact O-CG1 3.37Å; D814-I818 PolarHBondContact O-N 2.89Å; D814-I818 WeakPolarHBondContact OD2-CD1 2.99Å
815	K	95.2	Very high	88.8	Confident	41 Å²	41	49.6 Å²	49.6	18%	0.178	25%	0.248	C	C	.	.	H	α-helix	trans	-63.3	-37.1	179.2	-64.8	-74.4	174.3	162.5	0	112.9	D788 D789 L791 Y806 I811 M812 A819	D788-K815 WeakPolarHBondContact O-CE 3.28Å; D788-K815 PolarHBondContact O-NZ 3.4Å; D789-K815 PolarHBondContact O-NZ 3.29Å; L791-K815 HydrophobicContact CD2-CB 4.24Å; L791-K815 HydrophobicContact CD2-CD 3.75Å; Y806-K815 HydrophobicContact CE1-CB 4.13Å; Y806-K815 HydrophobicContact CE1-CG 3.84Å; Y806-K815 HydrophobicContact CE2-CB 4.42Å; Y806-K815 WeakPolarHBondContact OH-CB 3.42Å; I811-K815 HydrophobicContact CG2-CG 4.11Å; I811-K815 WeakPolarHBondContact O-CB 3.17Å; I811-K815 WeakPolarHBondContact O-CG 3.42Å; I811-K815 PolarHBondContact O-N 2.81Å; M812-K815 PolarHBondContact O-N 3.48Å; K815-A819 VanDerWaalsContact O-CB 3.27Å; K815-A819 WeakPolarHBondContact O-CB 3.05Å; K815-A819 PolarHBondContact O-N 2.97Å
816	L	95.1	Very high	86.7	Confident	1 Å²	1	49.4 Å²	49.4	1%	0.005	25%	0.25	C	S	.	.	H	α-helix	trans	-64.8	-44.6	174.1	-78.6	168.2	0	0	0	111.6	L737 I740 F752 P792 L803 M812 R813 D814 A819 A820	L737-L816 HydrophobicContact CD1-CD1 3.66Å; L737-L816 HydrophobicContact CD1-CD2 4.29Å; I740-L816 HydrophobicContact CD1-CD1 4.3Å; I740-L816 HydrophobicContact CG2-CD1 4.22Å; F752-L816 HydrophobicContact CD2-CD2 4.48Å; F752-L816 HydrophobicContact CE2-CD2 4.1Å; P792-L816 HydrophobicContact CG-CD2 4.11Å; L803-L816 HydrophobicContact CD1-CD2 4.37Å; M812-L816 HydrophobicContact CG-CD1 3.73Å; M812-L816 HydrophobicContact CG-CG 4.26Å; M812-L816 VanDerWaalsContact O-CB 3.29Å; M812-L816 WeakPolarHBondContact O-CB 3.33Å; M812-L816 WeakPolarHBondContact O-CG 3.45Å; M812-L816 PolarHBondContact O-N 3.08Å; M812-L816 HydrophobicContact SD-CD1 4.41Å; R813-L816 PolarHBondContact O-N 3.01Å; D814-L816 VanDerWaalsContact C-N 3.35Å; D814-L816 PolarHBondContact O-N 3.3Å; L816-A819 PolarHBondContact O-N 3.48Å; L816-A820 WeakPolarHBondContact O-CB 3.32Å; L816-A820 PolarHBondContact O-N 3.42Å
817	L	92.9	Very high	84.5	Confident	23 Å²	23	51 Å²	51	12%	0.12	26%	0.257	C	S	.	.	H	α-helix	trans	-68.2	-40.3	179.4	-71.2	173.6	0	0	0	111.9	F744 Q748 R813 D814 A820 R821	F744-L817 HydrophobicContact CE1-CD2 4.13Å; F744-L817 HydrophobicContact CE1-CG 4.47Å; F744-L817 HydrophobicContact CZ-CD2 3.94Å; F744-L817 HydrophobicContact CZ-CG 4.35Å; Q748-L817 HydrophobicContact CB-CD2 4.37Å; Q748-L817 HydrophobicContact CG-CD2 3.99Å; R813-L817 HydrophobicContact CG-CD1 4.09Å; R813-L817 WeakPolarHBondContact O-CG 3.49Å; R813-L817 PolarHBondContact O-N 3.17Å; D814-L817 PolarHBondContact O-N 2.96Å; L817-A820 PolarHBondContact O-N 3.18Å; L817-R821 WeakPolarHBondContact O-CB 3.33Å; L817-R821 VanDerWaalsContact O-CG 3.26Å; L817-R821 WeakPolarHBondContact O-CG 3.3Å; L817-R821 PolarHBondContact O-N 3.23Å
818	I	90.7	Very high	81.9	Confident	47 Å²	47	54.8 Å²	54.8	24%	0.241	27%	0.268	C	S	.	.	H	α-helix	trans	-59.9	-53	173.4	-68.4	167.3	0	0	0	109.5	L791 D814 A820 R821 E822	L791-I818 HydrophobicContact CD1-CG2 4.24Å; L791-I818 HydrophobicContact CD2-CB 4.09Å; L791-I818 HydrophobicContact CD2-CG2 3.78Å; D814-I818 VanDerWaalsContact O-CG1 3.28Å; D814-I818 WeakPolarHBondContact O-CG1 3.37Å; D814-I818 PolarHBondContact O-N 2.89Å; D814-I818 WeakPolarHBondContact OD2-CD1 2.99Å; I818-A820 VanDerWaalsContact C-N 3.32Å; I818-A820 PolarHBondContact O-N 2.79Å; I818-R821 PolarHBondContact O-N 2.78Å; I818-E822 HydrophobicContact CG2-CG 4.39Å; I818-E822 WeakPolarHBondContact O-CB 3.26Å; I818-E822 PolarHBondContact O-N 2.86Å
819	A	89.3	Confident	79	Confident	1 Å²	1	56.5 Å²	56.5	1%	0.008	27%	0.274	C	S	.	.	H	α-helix	trans	-61.2	-38.6	179.5	0	0	0	0	0	112.9	F755 L791 P792 K815 L816 R821 G823	F755-A819 HydrophobicContact CE1-CB 4.22Å; F755-A819 HydrophobicContact CE2-CB 4.14Å; F755-A819 HydrophobicContact CZ-CB 3.8Å; L791-A819 HydrophobicContact CD2-CB 4.35Å; P792-A819 HydrophobicContact CG-CB 3.68Å; K815-A819 VanDerWaalsContact O-CB 3.27Å; K815-A819 WeakPolarHBondContact O-CB 3.05Å; K815-A819 PolarHBondContact O-N 2.97Å; L816-A819 PolarHBondContact O-N 3.48Å; A819-R821 VanDerWaalsContact C-N 3.34Å; A819-R821 PolarHBondContact O-N 2.98Å; A819-G823 WeakPolarHBondContact O-CA 3.35Å; A819-G823 PolarHBondContact O-N 3.45Å
820	A	87	Confident	76	Confident	3 Å²	3	59.5 Å²	59.5	3%	0.025	30%	0.298	C	S	.	.	H	α-helix	trans	-71	-26.8	179.1	0	0	0	0	0	113.6	L751 F755 L816 L817 I818 Q824	L751-A820 HydrophobicContact CB-CB 4.21Å; F755-A820 HydrophobicContact CB-CB 4.14Å; F755-A820 HydrophobicContact CG-CB 4.46Å; L816-A820 WeakPolarHBondContact O-CB 3.32Å; L816-A820 PolarHBondContact O-N 3.42Å; L817-A820 PolarHBondContact O-N 3.18Å; I818-A820 VanDerWaalsContact C-N 3.32Å; I818-A820 PolarHBondContact O-N 2.79Å; A820-Q824 VanDerWaalsContact O-CG 3.27Å; A820-Q824 WeakPolarHBondContact O-CG 3.49Å; A820-Q824 PolarHBondContact O-NE2 2.93Å
821	R	82.8	Confident	74.9	Confident	146 Å²	146	57.2 Å²	57.2	55%	0.551	28%	0.284	S	S	*	.	H	α-helix	trans	-86.5	-45.5	176.6	-72.3	172.3	179.4	172.1	0.7	112.4	L751 L817 I818 A819	L751-R821 HydrophobicContact CD1-CG 4.25Å; L817-R821 WeakPolarHBondContact O-CB 3.33Å; L817-R821 VanDerWaalsContact O-CG 3.26Å; L817-R821 WeakPolarHBondContact O-CG 3.3Å; L817-R821 PolarHBondContact O-N 3.23Å; I818-R821 PolarHBondContact O-N 2.78Å; A819-R821 VanDerWaalsContact C-N 3.34Å; A819-R821 PolarHBondContact O-N 2.98Å
822	E	77.6	Confident	73.7	Confident	130 Å²	130	57.4 Å²	57.4	61%	0.607	29%	0.285	S	S	*	.	H	α-helix	trans	-90.7	-24.6	-173.2	-63.1	-178.4	-168.4	0	0	113.3	I818 Q824	I818-E822 HydrophobicContact CG2-CG 4.39Å; I818-E822 WeakPolarHBondContact O-CB 3.26Å; I818-E822 PolarHBondContact O-N 2.86Å; E822-Q824 PolarHBondContact O-N 2.85Å
823	G	66.1	Low	72.4	Confident	15 Å²	15	60.6 Å²	60.6	16%	0.155	30%	0.301	C	S	.	.	S	Bend	trans	-76.6	-3.7	177.5	0	0	0	0	0	114	A819	A819-G823 WeakPolarHBondContact O-CA 3.35Å; A819-G823 PolarHBondContact O-N 3.45Å
824	Q	63	Low	70.9	Confident	51 Å²	51	59.6 Å²	59.6	24%	0.238	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	140.3	171.5	-57.1	-173	-0.2	0	0	109.4	A820 E822 S826	A820-Q824 VanDerWaalsContact O-CG 3.27Å; A820-Q824 WeakPolarHBondContact O-CG 3.49Å; A820-Q824 PolarHBondContact O-NE2 2.93Å; E822-Q824 PolarHBondContact O-N 2.85Å; Q824-S826 PolarHBondContact O-N 3.43Å
825	Q	57.1	Low	69.4	Low	85 Å²	85	57.8 Å²	57.8	40%	0.397	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.5	16.2	178.9	-45.2	176	-13	0	0	115.9	E471	E471-Q825 PolarHBondContact OE1-N 3.42Å
826	S	51.8	Low	67.6	Low	40 Å²	40	58.9 Å²	58.9	28%	0.28	30%	0.298	S	S	.	.			trans	-140.7	99	176.6	-173.6	0	0	0	0	111.3	Q824 H828	Q824-S826 PolarHBondContact O-N 3.43Å; S826-H828 PolarHBondContact O-N 2.87Å
827	F	50.3	Low	65.7	Low	33 Å²	33	63 Å²	63	15%	0.145	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-73.5	3.3	171.1	-67.3	-65.7	0	0	0	113.5	Y458 E461 P468 E471 L829 S830	Y458-F827 AromaticContact CD2-CE2 3.67Å; Y458-F827 HydrophobicContact CD2-CE2 3.67Å; Y458-F827 AromaticContact CE2-CE2 3.96Å; Y458-F827 HydrophobicContact CE2-CE2 3.96Å; Y458-F827 HydrophobicContact CE2-CZ 4.46Å; E461-F827 HydrophobicContact CB-CD2 4.38Å; E461-F827 WeakPolarHBondContact OE2-CD2 3.24Å; E461-F827 WeakPolarHBondContact OE2-CE2 3.22Å; P468-F827 HydrophobicContact CB-CE2 4.18Å; P468-F827 HydrophobicContact CB-CZ 3.97Å; P468-F827 HydrophobicContact CG-CE1 4.2Å; P468-F827 HydrophobicContact CG-CE2 4.12Å; P468-F827 HydrophobicContact CG-CZ 3.79Å; E471-F827 WeakPolarHBondContact OE2-CE2 3.28Å; E471-F827 WeakPolarHBondContact OE2-CZ 3.21Å; F827-L829 PolarHBondContact O-N 3.39Å; F827-L829 VanDerWaalsContact O-N 3.14Å; F827-S830 WeakPolarHBondContact O-CB 3.33Å; F827-S830 PolarHBondContact O-N 3.41Å; F827-S830 PolarHBondContact O-OG 3.07Å
828	H	40.2	Very low	63.6	Low	144 Å²	144	66.1 Å²	66.1	67%	0.667	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-69	-7.7	178.3	-64.5	-64.5	0	0	0	113.8	S826	S826-H828 PolarHBondContact O-N 2.87Å
829	L	36.4	Very low	61.3	Low	70 Å²	70	67.7 Å²	67.7	37%	0.366	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-91.6	4.3	175.6	-71.5	160.2	0	0	0	113.8	S793 F827	S793-L829 WeakPolarHBondContact CB-O 3.5Å; F827-L829 PolarHBondContact O-N 3.39Å; F827-L829 VanDerWaalsContact O-N 3.14Å
830	S	34.5	Very low	58.8	Low	94 Å²	94	73.7 Å²	73.7	66%	0.657	37%	0.372	S	S	*	.			trans	-70.6	0	178.5	-46.9	0	0	0	0	113.4	F827	F827-S830 WeakPolarHBondContact O-CB 3.33Å; F827-S830 PolarHBondContact O-N 3.41Å; F827-S830 PolarHBondContact O-OG 3.07Å

Retrieved 830 of 830 residues in 478.8 ms (Link to these results)

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