A0A3Q0KQG6_SCHMA Loading...

Signal transduction protein lnk-related

AlphaFold DB , UniProt , Accession A0A3Q0KQG6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 847 aa.

						>A0A3Q0KQG6_SCHMA|A0A3Q0KQG6
MTREETWSEFCSVASVRLSIEALQLFKAYLNDNRHDDKPGCALEFLEIIFKKMRRKFETSLSPCYFVRESKPAEIPSSKIGTDLKNTDERLSFKEENLSINSSSTELSENFSHIAYANASAVVAAARSKAVAASGVRNTSPRGKSCDIPSDKASKNIFSRTRHSRSAPNKNSNRQPSVNQPDFHQKHHWLGEQKTKFHTDSPINQGISEMKPSWRLSSLWLRRSFTIAWRRRSPLSVDSSGRKCGGPYPRSPGTAVSINAELVREGIVMQWLGPHFDSHRPRIDCEKMNNPEAGSEKKTTQWAQSRLCLCSTSAGLILEIFTPPDAEQSQYGLCCGLIFDVRLVCPDELTDPRNNVLLVKTEFGDQKIFQSSDEIDANEWITAIRSGLPPLRRNPVSPKCDIEPGRIVTLVRSERCTNCDAILDSSSKSTSDVLSSVPLPPNKINANELCIGSDHKKVHDTSVFHSTNFKPLCTDNSANSTPISTFACVCSHVSSVPDVWSASTKSDRPITNHSMNLSQSDGCTTTANNTISSHGFIKPSNVLYPTPSRPSTFASGFRHTSPSSHPVSLHSISRPDKSNRLCSLTNNALLEQINSPNTNQSRVDSFRSGAFSVFNSSSNLPRVSSSGFEDVIGHQLSIYPWYHGTLSRVRAASYVLGQLSEFEHGTTQQHLTCPESARISFNSEQNTTDLSNMPPALSTTDGVFLVRQSETKQGEFVLTFSCHGKPKHLRMTLSPDGHCRVQHLPFDSIVEMLEHFRQEPIPLEQTFISSMTDGLSSDVLPNSTTSTPTPITLSAYVVNTHLTGSRERLVICRGSVRANSNTVGRAAAVAAATASGGKTGQNQYIVM
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.6	Very low	55.3	Low	242 Å²	242	114.8 Å²	114.8	100%	1.192	56%	0.561	S	S	*	*				0	83.2	0	-81.4	175.5	156.9	0	0	108.6
2	T	41.8	Very low	55.7	Low	131 Å²	131	108.7 Å²	108.7	80%	0.804	54%	0.538	S	S	*	.			trans	-157	110	171	40.8	0	0	0	0	107.5	E4	T2-E4 PolarHBondContact O-N 3.17Å
3	R	46.6	Very low	56.6	Low	202 Å²	202	105 Å²	105	76%	0.762	53%	0.525	S	S	*	.			trans	-70.7	107.2	169.7	-176.4	178	143.3	179.1	-6.6	105.7	E5 E9	R3-E5 PolarHBondContact O-N 2.89Å; R3-E9 IonicContact NH2-OE1 3.18Å; R3-E9 PolarHBondContact NH2-OE1 3.42Å
4	E	49.3	Very low	57.3	Low	180 Å²	180	98.2 Å²	98.2	84%	0.841	49%	0.493	S	S	*	.			trans	-62	107.4	174.8	-75	-178.7	156.9	0	0	108.5	T2 T6	T2-E4 PolarHBondContact O-N 3.17Å; E4-T6 PolarHBondContact O-N 3.28Å
5	E	57.9	Low	57.7	Low	107 Å²	107	91.9 Å²	91.9	50%	0.5	46%	0.462	S	S	.	.			trans	-66.8	123.6	168	-75	-175	162.7	0	0	108.2	R3	R3-E5 PolarHBondContact O-N 2.89Å
6	T	69.5	Low	57.9	Low	83 Å²	83	89.1 Å²	89.1	51%	0.509	45%	0.451	S	S	.	.			trans	-65.3	147.6	174.5	59.4	0	0	0	0	110	E4 S8 E9 F10	E4-T6 PolarHBondContact O-N 3.28Å; T6-S8 PolarHBondContact O-N 3Å; T6-E9 WeakPolarHBondContact O-CA 3.36Å; T6-E9 WeakPolarHBondContact O-CB 3.28Å; T6-E9 PolarHBondContact O-N 3.24Å; T6-E9 WeakPolarHBondContact OG1-CB 2.91Å; T6-E9 PolarHBondContact OG1-N 2.91Å; T6-F10 PolarHBondContact O-N 3.18Å
7	W	58.6	Low	58.5	Low	134 Å²	134	94.4 Å²	94.4	51%	0.508	46%	0.464	S	S	.	.	H	α-helix	trans	-51	-33.8	174.7	177.3	-108.3	0	0	0	112.8	F10 C11 L61 Y65	W7-F10 AromaticContact CE3-CD1 3.99Å; W7-F10 HydrophobicContact CE3-CD1 3.99Å; W7-F10 HydrophobicContact CH2-CD1 4.5Å; W7-F10 HydrophobicContact CH2-CE1 4.42Å; W7-F10 AromaticContact CZ3-CD1 3.88Å; W7-F10 HydrophobicContact CZ3-CD1 3.88Å; W7-F10 HydrophobicContact CZ3-CE1 4.03Å; W7-C11 WeakPolarHBondContact O-CB 3.41Å; W7-C11 PolarHBondContact O-N 3.07Å; W7-C11 PolarHBondContact O-SG 2.89Å; W7-L61 HydrophobicContact CH2-CD2 4Å; W7-L61 HydrophobicContact CZ3-CD2 4.19Å; W7-Y65 AromaticContact CE3-CD1 3.8Å; W7-Y65 HydrophobicContact CE3-CD1 3.8Å; W7-Y65 AromaticContact CE3-CE1 3.43Å; W7-Y65 HydrophobicContact CE3-CE1 3.43Å; W7-Y65 VanDerWaalsContact CE3-CE1 3.43Å; W7-Y65 HydrophobicContact CE3-CE2 4.35Å; W7-Y65 HydrophobicContact CE3-CG 4.42Å; W7-Y65 AromaticContact CE3-CZ 3.73Å; W7-Y65 AromaticContact CZ3-CD1 3.61Å; W7-Y65 HydrophobicContact CZ3-CD1 3.61Å; W7-Y65 HydrophobicContact CZ3-CD2 4.11Å; W7-Y65 AromaticContact CZ3-CE1 3.7Å; W7-Y65 HydrophobicContact CZ3-CE1 3.7Å; W7-Y65 HydrophobicContact CZ3-CE2 4.16Å; W7-Y65 AromaticContact CZ3-CG 3.83Å; W7-Y65 HydrophobicContact CZ3-CG 3.83Å; W7-Y65 AromaticContact CZ3-CZ 3.97Å
8	S	57.9	Low	59	Low	51 Å²	51	89.6 Å²	89.6	36%	0.357	44%	0.441	S	S	.	.	H	α-helix	trans	-64.9	-42.9	174.4	-171.6	0	0	0	0	112.5	T6 S12 S233	T6-S8 PolarHBondContact O-N 3Å; S8-S12 VanDerWaalsContact O-CB 3.26Å; S8-S12 WeakPolarHBondContact O-CB 3.33Å; S8-S12 PolarHBondContact O-N 2.62Å; S8-S233 PolarHBondContact OG-OG 3.39Å
9	E	65.9	Low	59	Low	70 Å²	70	85.4 Å²	85.4	33%	0.327	42%	0.421	S	S	.	.	H	α-helix	trans	-66.9	-45	176.2	-161.6	168.8	-173.6	0	0	110.6	R3 T6 C11 S12 V13	R3-E9 IonicContact NH2-OE1 3.18Å; R3-E9 PolarHBondContact NH2-OE1 3.42Å; T6-E9 WeakPolarHBondContact O-CA 3.36Å; T6-E9 WeakPolarHBondContact O-CB 3.28Å; T6-E9 PolarHBondContact O-N 3.24Å; T6-E9 WeakPolarHBondContact OG1-CB 2.91Å; T6-E9 PolarHBondContact OG1-N 2.91Å; E9-C11 PolarHBondContact O-N 2.89Å; E9-S12 PolarHBondContact O-N 2.72Å; E9-V13 WeakPolarHBondContact O-CB 3.49Å; E9-V13 VanDerWaalsContact O-CG2 3.28Å; E9-V13 WeakPolarHBondContact O-CG2 3.38Å; E9-V13 PolarHBondContact O-N 3.24Å
10	F	66.3	Low	59.6	Low	25 Å²	25	83.8 Å²	83.8	11%	0.11	41%	0.414	C	S	.	.	H	α-helix	trans	-56	-51.3	172.1	173.4	-98.8	0	0	0	111.8	T6 W7 S12 V13 A14 S60 L61	T6-F10 PolarHBondContact O-N 3.18Å; W7-F10 AromaticContact CE3-CD1 3.99Å; W7-F10 HydrophobicContact CE3-CD1 3.99Å; W7-F10 HydrophobicContact CH2-CD1 4.5Å; W7-F10 HydrophobicContact CH2-CE1 4.42Å; W7-F10 AromaticContact CZ3-CD1 3.88Å; W7-F10 HydrophobicContact CZ3-CD1 3.88Å; W7-F10 HydrophobicContact CZ3-CE1 4.03Å; F10-S12 PolarHBondContact O-N 3.11Å; F10-V13 PolarHBondContact O-N 3.06Å; F10-A14 HydrophobicContact CE1-CB 4.47Å; F10-A14 HydrophobicContact CZ-CB 4.39Å; F10-A14 WeakPolarHBondContact O-CB 3.35Å; F10-A14 PolarHBondContact O-N 2.96Å; F10-S60 WeakPolarHBondContact CE2-O 3.44Å; F10-S60 WeakPolarHBondContact CZ-O 3.41Å; F10-L61 HydrophobicContact CE1-CD2 3.88Å; F10-L61 HydrophobicContact CZ-CD2 4.09Å
11	C	61.3	Low	59.9	Low	38 Å²	38	82.9 Å²	82.9	26%	0.257	41%	0.408	S	S	.	.	H	α-helix	trans	-62.6	-40.2	179	-72.4	0	0	0	0	112.3	W7 E9 S15	W7-C11 WeakPolarHBondContact O-CB 3.41Å; W7-C11 PolarHBondContact O-N 3.07Å; W7-C11 PolarHBondContact O-SG 2.89Å; E9-C11 PolarHBondContact O-N 2.89Å; C11-S15 WeakPolarHBondContact O-CB 3.33Å; C11-S15 PolarHBondContact O-N 3.46Å; C11-S15 PolarHBondContact O-OG 3.37Å
12	S	60.1	Low	61.3	Low	41 Å²	41	71.5 Å²	71.5	29%	0.287	35%	0.353	S	S	.	.	H	α-helix	trans	-63	-46.7	176.2	-179.5	0	0	0	0	111.4	S8 E9 F10 S15 V16	S8-S12 VanDerWaalsContact O-CB 3.26Å; S8-S12 WeakPolarHBondContact O-CB 3.33Å; S8-S12 PolarHBondContact O-N 2.62Å; E9-S12 PolarHBondContact O-N 2.72Å; F10-S12 PolarHBondContact O-N 3.11Å; S12-S15 PolarHBondContact O-OG 3.35Å; S12-V16 WeakPolarHBondContact O-CB 3.43Å; S12-V16 WeakPolarHBondContact O-CG2 3.42Å; S12-V16 PolarHBondContact O-N 2.7Å; S12-V16 VanDerWaalsContact O-N 3.14Å
13	V	67.7	Low	62.5	Low	61 Å²	61	66.9 Å²	66.9	37%	0.37	32%	0.323	S	S	.	.	H	α-helix	trans	-69.2	-46.2	-180	174	0	0	0	0	111.2	E9 F10 V16 R17	E9-V13 WeakPolarHBondContact O-CB 3.49Å; E9-V13 VanDerWaalsContact O-CG2 3.28Å; E9-V13 WeakPolarHBondContact O-CG2 3.38Å; E9-V13 PolarHBondContact O-N 3.24Å; F10-V13 PolarHBondContact O-N 3.06Å; V13-V16 PolarHBondContact O-N 3.41Å; V13-R17 WeakPolarHBondContact O-CB 3.42Å; V13-R17 WeakPolarHBondContact O-CG 3.4Å; V13-R17 PolarHBondContact O-N 3.14Å
14	A	66.9	Low	63.7	Low	10 Å²	10	63 Å²	63	8%	0.083	31%	0.314	C	S	.	.	H	α-helix	trans	-63.9	-43.5	179.2	0	0	0	0	0	111.9	F10 R17 L18	F10-A14 HydrophobicContact CE1-CB 4.47Å; F10-A14 HydrophobicContact CZ-CB 4.39Å; F10-A14 WeakPolarHBondContact O-CB 3.35Å; F10-A14 PolarHBondContact O-N 2.96Å; A14-R17 PolarHBondContact O-N 3.02Å; A14-L18 WeakPolarHBondContact O-CB 3.46Å; A14-L18 VanDerWaalsContact O-CG 3.31Å; A14-L18 WeakPolarHBondContact O-CG 3.5Å; A14-L18 PolarHBondContact O-N 3.05Å
15	S	62.4	Low	64.6	Low	4 Å²	4	57 Å²	57	3%	0.028	29%	0.287	C	S	.	.	H	α-helix	trans	-64.2	-41	177.7	65.2	0	0	0	0	112.7	C11 S12 S19	C11-S15 WeakPolarHBondContact O-CB 3.33Å; C11-S15 PolarHBondContact O-N 3.46Å; C11-S15 PolarHBondContact O-OG 3.37Å; S12-S15 PolarHBondContact O-OG 3.35Å; S15-S19 VanDerWaalsContact O-CB 3.29Å; S15-S19 WeakPolarHBondContact O-CB 3.4Å; S15-S19 PolarHBondContact O-N 2.86Å; S15-S19 PolarHBondContact O-OG 3.33Å
16	V	62.2	Low	64.9	Low	47 Å²	47	55.9 Å²	55.9	29%	0.285	28%	0.281	S	S	.	.	H	α-helix	trans	-65.3	-43.5	175.5	171.8	0	0	0	0	110.6	S12 V13 S19 I20 T226	S12-V16 WeakPolarHBondContact O-CB 3.43Å; S12-V16 WeakPolarHBondContact O-CG2 3.42Å; S12-V16 PolarHBondContact O-N 2.7Å; S12-V16 VanDerWaalsContact O-N 3.14Å; V13-V16 PolarHBondContact O-N 3.41Å; V16-S19 WeakPolarHBondContact CA-OG 3.42Å; V16-S19 PolarHBondContact O-OG 2.99Å; V16-I20 HydrophobicContact CG1-CD1 3.9Å; V16-I20 WeakPolarHBondContact O-CD1 3.46Å; V16-I20 VanDerWaalsContact O-CG1 3.24Å; V16-I20 WeakPolarHBondContact O-CG1 3.28Å; V16-I20 PolarHBondContact O-N 2.97Å; V16-T226 HydrophobicContact CG2-CG2 3.98Å
17	R	67.6	Low	64.8	Low	179 Å²	179	58.1 Å²	58.1	68%	0.675	28%	0.284	S	S	*	.	H	α-helix	trans	-62	-49.6	176.2	-78.3	-178.4	168.2	-174.7	-1.9	112.1	V13 A14 S19 I20 E21	V13-R17 WeakPolarHBondContact O-CB 3.42Å; V13-R17 WeakPolarHBondContact O-CG 3.4Å; V13-R17 PolarHBondContact O-N 3.14Å; A14-R17 PolarHBondContact O-N 3.02Å; R17-S19 PolarHBondContact O-N 3.3Å; R17-I20 PolarHBondContact O-N 2.93Å; R17-E21 PolarHBondContact O-N 3.1Å
18	L	66.8	Low	65.4	Low	8 Å²	8	54 Å²	54	4%	0.042	28%	0.278	C	S	.	.	H	α-helix	trans	-63.7	-39.6	-179.9	-73.4	167	0	0	0	112.3	A14 E21 A22 K56 F57 W229	A14-L18 WeakPolarHBondContact O-CB 3.46Å; A14-L18 VanDerWaalsContact O-CG 3.31Å; A14-L18 WeakPolarHBondContact O-CG 3.5Å; A14-L18 PolarHBondContact O-N 3.05Å; L18-E21 PolarHBondContact O-N 2.95Å; L18-A22 VanDerWaalsContact O-CB 3.31Å; L18-A22 WeakPolarHBondContact O-CB 3.34Å; L18-A22 PolarHBondContact O-N 2.88Å; L18-K56 HydrophobicContact CD2-CB 3.82Å; L18-F57 HydrophobicContact CD1-CB 4Å; L18-F57 HydrophobicContact CD1-CD2 3.71Å; L18-F57 HydrophobicContact CD1-CG 4.34Å; L18-W229 HydrophobicContact CD1-CH2 4.17Å
19	S	60.5	Low	65.7	Low	9 Å²	9	54 Å²	54	6%	0.063	27%	0.27	C	S	.	.	H	α-helix	trans	-67.5	-35.7	176.5	54	0	0	0	0	113	S15 V16 R17 L23	S15-S19 VanDerWaalsContact O-CB 3.29Å; S15-S19 WeakPolarHBondContact O-CB 3.4Å; S15-S19 PolarHBondContact O-N 2.86Å; S15-S19 PolarHBondContact O-OG 3.33Å; V16-S19 WeakPolarHBondContact CA-OG 3.42Å; V16-S19 PolarHBondContact O-OG 2.99Å; R17-S19 PolarHBondContact O-N 3.3Å; S19-L23 WeakPolarHBondContact O-CB 3.47Å; S19-L23 WeakPolarHBondContact O-CD1 3.48Å; S19-L23 WeakPolarHBondContact O-CG 3.38Å; S19-L23 PolarHBondContact O-N 3.37Å; S19-L23 VanDerWaalsContact O-N 3.11Å
20	I	69.4	Low	65.4	Low	54 Å²	54	53.9 Å²	53.9	28%	0.277	27%	0.272	S	S	.	.	H	α-helix	trans	-64.3	-46.3	172.9	-69.5	166	0	0	0	110.6	V16 R17 L23 Q24	V16-I20 HydrophobicContact CG1-CD1 3.9Å; V16-I20 WeakPolarHBondContact O-CD1 3.46Å; V16-I20 VanDerWaalsContact O-CG1 3.24Å; V16-I20 WeakPolarHBondContact O-CG1 3.28Å; V16-I20 PolarHBondContact O-N 2.97Å; R17-I20 PolarHBondContact O-N 2.93Å; I20-L23 PolarHBondContact O-N 2.9Å; I20-Q24 WeakPolarHBondContact O-CG 3.4Å; I20-Q24 PolarHBondContact O-N 3.35Å
21	E	66	Low	65.5	Low	64 Å²	64	57 Å²	57	30%	0.299	29%	0.29	S	S	.	.	H	α-helix	trans	-66.3	-39.6	178.7	-72	-165.3	153.8	0	0	112.7	R17 L18 L23 Q24 L25 K56	R17-E21 PolarHBondContact O-N 3.1Å; L18-E21 PolarHBondContact O-N 2.95Å; E21-L23 VanDerWaalsContact C-N 3.28Å; E21-L23 PolarHBondContact O-N 3.39Å; E21-Q24 WeakPolarHBondContact O-CB 3.28Å; E21-Q24 PolarHBondContact O-N 3.38Å; E21-Q24 VanDerWaalsContact O-N 3.14Å; E21-L25 WeakPolarHBondContact O-CG 3.31Å; E21-L25 PolarHBondContact O-N 2.96Å; E21-K56 IonicContact OE1-NZ 2.72Å; E21-K56 PolarHBondContact OE1-NZ 2.91Å; E21-K56 WeakPolarHBondContact OE2-CD 3.45Å; E21-K56 WeakPolarHBondContact OE2-CE 3.41Å; E21-K56 IonicContact OE2-NZ 2.62Å; E21-K56 PolarHBondContact OE2-NZ 3.48Å
22	A	63	Low	65.9	Low	4 Å²	4	61.4 Å²	61.4	3%	0.033	31%	0.31	C	S	.	.	H	α-helix	trans	-57.4	-43.6	174.1	0	0	0	0	0	111.7	L18 L25 F26 M53	L18-A22 VanDerWaalsContact O-CB 3.31Å; L18-A22 WeakPolarHBondContact O-CB 3.34Å; L18-A22 PolarHBondContact O-N 2.88Å; A22-L25 PolarHBondContact O-N 3.44Å; A22-F26 WeakPolarHBondContact O-CB 3.36Å; A22-F26 PolarHBondContact O-N 2.88Å; A22-M53 HydrophobicContact CB-CE 3.36Å; A22-M53 HydrophobicContact CB-SD 3.73Å
23	L	66	Low	65.9	Low	33 Å²	33	61.7 Å²	61.7	17%	0.173	31%	0.309	C	S	.	.	H	α-helix	trans	-67	-35.4	176.2	-76.3	165.5	0	0	0	112.5	S19 I20 E21 F26 K27 L221 R222	S19-L23 WeakPolarHBondContact O-CB 3.47Å; S19-L23 WeakPolarHBondContact O-CD1 3.48Å; S19-L23 WeakPolarHBondContact O-CG 3.38Å; S19-L23 PolarHBondContact O-N 3.37Å; S19-L23 VanDerWaalsContact O-N 3.11Å; I20-L23 PolarHBondContact O-N 2.9Å; E21-L23 VanDerWaalsContact C-N 3.28Å; E21-L23 PolarHBondContact O-N 3.39Å; L23-F26 PolarHBondContact O-N 3.22Å; L23-K27 WeakPolarHBondContact O-CB 3.47Å; L23-K27 PolarHBondContact O-N 2.83Å; L23-L221 HydrophobicContact CD2-CB 4.34Å; L23-L221 HydrophobicContact CD2-CD2 4.38Å; L23-R222 HydrophobicContact CD1-CB 4.37Å; L23-R222 HydrophobicContact CD1-CG 3.42Å; L23-R222 VanDerWaalsContact CD1-CG 3.42Å
24	Q	73.3	Confident	65.4	Low	122 Å²	122	66.2 Å²	66.2	57%	0.57	32%	0.319	S	S	*	.	H	α-helix	trans	-66.5	-43	174.4	-73.8	173.5	-20.6	0	0	111.4	I20 E21 K27 A28	I20-Q24 WeakPolarHBondContact O-CG 3.4Å; I20-Q24 PolarHBondContact O-N 3.35Å; E21-Q24 WeakPolarHBondContact O-CB 3.28Å; E21-Q24 PolarHBondContact O-N 3.38Å; E21-Q24 VanDerWaalsContact O-N 3.14Å; Q24-K27 PolarHBondContact O-N 3.31Å; Q24-A28 WeakPolarHBondContact O-CB 3.24Å; Q24-A28 PolarHBondContact O-N 2.87Å
25	L	66.9	Low	64.8	Low	54 Å²	54	74.2 Å²	74.2	28%	0.283	35%	0.354	S	S	.	.	H	α-helix	trans	-61.9	-43.8	173.9	-69.9	172.5	0	0	0	111.3	E21 A22 A28 Y29 I49 K52	E21-L25 WeakPolarHBondContact O-CG 3.31Å; E21-L25 PolarHBondContact O-N 2.96Å; A22-L25 PolarHBondContact O-N 3.44Å; L25-A28 PolarHBondContact O-N 3.4Å; L25-Y29 WeakPolarHBondContact O-CB 3.07Å; L25-Y29 PolarHBondContact O-N 3.39Å; L25-I49 HydrophobicContact CB-CD1 3.9Å; L25-I49 HydrophobicContact CB-CG1 4.17Å; L25-I49 HydrophobicContact CD1-CG1 4.34Å; L25-K52 HydrophobicContact CD1-CD 4.4Å
26	F	64.1	Low	64.2	Low	82 Å²	82	78.2 Å²	78.2	36%	0.36	38%	0.376	S	S	.	.	H	α-helix	trans	-59.9	-46.3	175.4	-177.5	-99.6	0	0	0	112.2	A22 L23 Y29 L30 F45	A22-F26 WeakPolarHBondContact O-CB 3.36Å; A22-F26 PolarHBondContact O-N 2.88Å; L23-F26 PolarHBondContact O-N 3.22Å; F26-Y29 PolarHBondContact O-N 3.14Å; F26-L30 HydrophobicContact CD1-CD1 3.9Å; F26-L30 HydrophobicContact CD1-CG 4.4Å; F26-L30 HydrophobicContact CE1-CD1 3.23Å; F26-L30 HydrophobicContact CE1-CG 4.02Å; F26-L30 HydrophobicContact CE2-CD1 4.36Å; F26-L30 HydrophobicContact CE2-CG 4.41Å; F26-L30 HydrophobicContact CZ-CD1 3.5Å; F26-L30 VanDerWaalsContact CZ-CD1 3.5Å; F26-L30 HydrophobicContact CZ-CD2 4.36Å; F26-L30 HydrophobicContact CZ-CG 4.01Å; F26-L30 PolarHBondContact O-N 2.99Å; F26-F45 AromaticContact CD2-CE1 3.99Å; F26-F45 HydrophobicContact CD2-CE1 3.99Å
27	K	68.5	Low	63.5	Low	131 Å²	131	83.7 Å²	83.7	57%	0.57	40%	0.403	S	S	*	.	H	α-helix	trans	-63.4	-43.1	178.1	-175.9	-178.5	176.7	-174.3	0	112.2	L23 Q24 N31	L23-K27 WeakPolarHBondContact O-CB 3.47Å; L23-K27 PolarHBondContact O-N 2.83Å; Q24-K27 PolarHBondContact O-N 3.31Å; K27-N31 PolarHBondContact O-N 3.45Å; K27-N31 VanDerWaalsContact O-N 3.16Å
28	A	70.8	Confident	62.5	Low	47 Å²	47	82.3 Å²	82.3	39%	0.388	40%	0.402	S	S	.	.	H	α-helix	trans	-61.2	-47.4	177.1	0	0	0	0	0	110.8	Q24 L25 L30 N31 D32	Q24-A28 WeakPolarHBondContact O-CB 3.24Å; Q24-A28 PolarHBondContact O-N 2.87Å; L25-A28 PolarHBondContact O-N 3.4Å; A28-L30 PolarHBondContact O-N 3.32Å; A28-N31 WeakPolarHBondContact O-CB 3.15Å; A28-N31 PolarHBondContact O-N 2.87Å; A28-N31 VanDerWaalsContact O-N 3.11Å; A28-D32 PolarHBondContact O-N 2.91Å
29	Y	63.1	Low	61.3	Low	50 Å²	50	88.5 Å²	88.5	20%	0.196	44%	0.443	C	S	.	.	H	α-helix	trans	-63.2	-42.3	-179.9	-174.9	-88.2	0	0	0	113.6	L25 F26 N31 D32 N33 C41 F45	L25-Y29 WeakPolarHBondContact O-CB 3.07Å; L25-Y29 PolarHBondContact O-N 3.39Å; F26-Y29 PolarHBondContact O-N 3.14Å; Y29-N31 PolarHBondContact O-N 3.37Å; Y29-D32 PolarHBondContact O-N 2.86Å; Y29-N33 HydrophobicContact CD1-CB 4.41Å; Y29-N33 WeakPolarHBondContact CD2-ND2 3.45Å; Y29-N33 HydrophobicContact CE1-CB 3.95Å; Y29-N33 WeakPolarHBondContact CE2-ND2 3.34Å; Y29-N33 VanDerWaalsContact CZ-CG 3.48Å; Y29-N33 WeakPolarHBondContact O-CB 3.19Å; Y29-N33 PolarHBondContact O-N 3.27Å; Y29-N33 PolarHBondContact O-ND2 2.96Å; Y29-C41 VanDerWaalsContact OH-CB 3.29Å; Y29-C41 WeakPolarHBondContact OH-CB 3.12Å; Y29-C41 PolarHBondContact OH-O 3.05Å; Y29-F45 HydrophobicContact CD1-CD1 4.09Å; Y29-F45 HydrophobicContact CD1-CD2 4.16Å; Y29-F45 HydrophobicContact CD1-CE1 4.2Å; Y29-F45 HydrophobicContact CD1-CE2 4.29Å; Y29-F45 HydrophobicContact CD1-CG 4.02Å; Y29-F45 HydrophobicContact CD1-CZ 4.26Å; Y29-F45 HydrophobicContact CD2-CB 4.35Å; Y29-F45 AromaticContact CD2-CD2 3.19Å; Y29-F45 HydrophobicContact CD2-CD2 3.19Å; Y29-F45 AromaticContact CD2-CE2 3.44Å; Y29-F45 HydrophobicContact CD2-CE2 3.44Å; Y29-F45 VanDerWaalsContact CD2-CE2 3.44Å; Y29-F45 AromaticContact CD2-CG 3.8Å; Y29-F45 HydrophobicContact CD2-CG 3.8Å; Y29-F45 HydrophobicContact CD2-CZ 4.18Å; Y29-F45 HydrophobicContact CE1-CB 4.32Å; Y29-F45 HydrophobicContact CE1-CD1 4.48Å; Y29-F45 HydrophobicContact CE1-CG 4.19Å; Y29-F45 HydrophobicContact CE2-CB 3.97Å; Y29-F45 AromaticContact CE2-CD2 3.64Å; Y29-F45 HydrophobicContact CE2-CD2 3.64Å; Y29-F45 HydrophobicContact CE2-CE2 4.33Å; Y29-F45 AromaticContact CE2-CG 3.93Å; Y29-F45 HydrophobicContact CE2-CG 3.93Å; Y29-F45 HydrophobicContact CG-CD1 4.16Å; Y29-F45 AromaticContact CG-CD2 3.49Å; Y29-F45 HydrophobicContact CG-CD2 3.49Å; Y29-F45 VanDerWaalsContact CG-CD2 3.49Å; Y29-F45 HydrophobicContact CG-CE1 4.06Å; Y29-F45 AromaticContact CG-CE2 3.41Å; Y29-F45 HydrophobicContact CG-CE2 3.41Å; Y29-F45 VanDerWaalsContact CG-CE2 3.41Å; Y29-F45 AromaticContact CG-CG 3.84Å; Y29-F45 HydrophobicContact CG-CG 3.84Å; Y29-F45 AromaticContact CG-CZ 3.67Å; Y29-F45 HydrophobicContact CG-CZ 3.67Å
30	L	61.6	Low	60.5	Low	68 Å²	68	90.4 Å²	90.4	36%	0.356	46%	0.464	S	S	.	.	H	α-helix	trans	-64.6	-30.3	175.4	-75.2	-174.7	0	0	0	112.7	F26 A28 R34 L216	F26-L30 HydrophobicContact CD1-CD1 3.9Å; F26-L30 HydrophobicContact CD1-CG 4.4Å; F26-L30 HydrophobicContact CE1-CD1 3.23Å; F26-L30 HydrophobicContact CE1-CG 4.02Å; F26-L30 HydrophobicContact CE2-CD1 4.36Å; F26-L30 HydrophobicContact CE2-CG 4.41Å; F26-L30 HydrophobicContact CZ-CD1 3.5Å; F26-L30 VanDerWaalsContact CZ-CD1 3.5Å; F26-L30 HydrophobicContact CZ-CD2 4.36Å; F26-L30 HydrophobicContact CZ-CG 4.01Å; F26-L30 PolarHBondContact O-N 2.99Å; A28-L30 PolarHBondContact O-N 3.32Å; L30-R34 WeakPolarHBondContact O-CG 3.26Å; L30-L216 HydrophobicContact CD1-CD1 4.12Å
31	N	68.3	Low	59.5	Low	91 Å²	91	90 Å²	90	49%	0.487	47%	0.465	S	S	.	.	H	α-helix	trans	-74.2	-37.5	174.5	-85.8	-1.8	0	0	0	111.9	K27 A28 Y29	K27-N31 PolarHBondContact O-N 3.45Å; K27-N31 VanDerWaalsContact O-N 3.16Å; A28-N31 WeakPolarHBondContact O-CB 3.15Å; A28-N31 PolarHBondContact O-N 2.87Å; A28-N31 VanDerWaalsContact O-N 3.11Å; Y29-N31 PolarHBondContact O-N 3.37Å
32	D	67.9	Low	59	Low	130 Å²	130	89.7 Å²	89.7	70%	0.695	47%	0.474	S	S	*	.	H	α-helix	trans	-79	-34.7	-178	-66.5	-16.7	0	0	0	112.6	A28 Y29	A28-D32 PolarHBondContact O-N 2.91Å; Y29-D32 PolarHBondContact O-N 2.86Å
33	N	61.7	Low	58.6	Low	47 Å²	47	95 Å²	95	25%	0.251	50%	0.502	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.7	23.8	-177.6	-60.5	-88.3	0	0	0	112.6	Y29 H35 D36	Y29-N33 HydrophobicContact CD1-CB 4.41Å; Y29-N33 WeakPolarHBondContact CD2-ND2 3.45Å; Y29-N33 HydrophobicContact CE1-CB 3.95Å; Y29-N33 WeakPolarHBondContact CE2-ND2 3.34Å; Y29-N33 VanDerWaalsContact CZ-CG 3.48Å; Y29-N33 WeakPolarHBondContact O-CB 3.19Å; Y29-N33 PolarHBondContact O-N 3.27Å; Y29-N33 PolarHBondContact O-ND2 2.96Å; N33-H35 PolarHBondContact O-N 3.06Å; N33-D36 PolarHBondContact O-N 3.31Å; N33-D36 VanDerWaalsContact O-N 3.16Å
34	R	56	Low	58.4	Low	156 Å²	156	100.4 Å²	100.4	59%	0.589	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-13.8	-177.1	-132.4	174.2	179.5	-166.7	-3.6	114.1	L30	L30-R34 WeakPolarHBondContact O-CG 3.26Å
35	H	55.7	Low	57.7	Low	178 Å²	178	95.7 Å²	95.7	82%	0.824	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.9	-5.5	-177.7	-66.1	-53.6	0	0	0	114.2	N33 D37	N33-H35 PolarHBondContact O-N 3.06Å; H35-D37 PolarHBondContact O-N 2.88Å
36	D	49.4	Very low	57.5	Low	89 Å²	89	96.8 Å²	96.8	48%	0.476	51%	0.509	S	S	.	.			trans	-99.8	87.6	179.3	-85.1	-46.8	0	0	0	110.4	N33 K38	N33-D36 PolarHBondContact O-N 3.31Å; N33-D36 VanDerWaalsContact O-N 3.16Å; D36-K38 PolarHBondContact O-N 2.79Å
37	D	47.1	Very low	57.5	Low	162 Å²	162	99.5 Å²	99.5	87%	0.866	52%	0.523	S	S	*	.			trans	-65.7	32.5	169.7	-78.9	-36.7	0	0	0	113.1	H35 P39	H35-D37 PolarHBondContact O-N 2.88Å; D37-P39 VanDerWaalsContact O-CD 3.23Å; D37-P39 WeakPolarHBondContact O-CD 3.03Å
38	K	47	Very low	57.5	Low	150 Å²	150	97.5 Å²	97.5	65%	0.652	52%	0.517	S	S	*	.			trans	-94.3	108.6	179.7	-76.4	-179.3	-179	166.9	0	111.1	D36 G40 C41	D36-K38 PolarHBondContact O-N 2.79Å; K38-G40 PolarHBondContact O-N 2.8Å; K38-C41 PolarHBondContact O-SG 3.19Å
39	P	42	Very low	57.1	Low	137 Å²	137	95.8 Å²	95.8	89%	0.89	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	96	170.8	28.7	-32.4	0	0	0	108.7	D37	D37-P39 VanDerWaalsContact O-CD 3.23Å; D37-P39 WeakPolarHBondContact O-CD 3.03Å
40	G	43.5	Very low	57.1	Low	50 Å²	50	97.3 Å²	97.3	52%	0.515	51%	0.51	S	S	.	.	T	Hydrogen-bonded Turn	trans	164.2	-28.2	-179.9	0	0	0	0	0	114.3	K38 A42 L43	K38-G40 PolarHBondContact O-N 2.8Å; G40-A42 PolarHBondContact O-N 2.96Å; G40-L43 PolarHBondContact O-N 3.44Å
41	C	47.2	Very low	57.5	Low	44 Å²	44	100.4 Å²	100.4	30%	0.297	52%	0.52	S	S	.	.	H	α-helix	trans	-69.4	-15	-179.2	62.1	0	0	0	0	113.8	Y29 K38 L43 F45	Y29-C41 VanDerWaalsContact OH-CB 3.29Å; Y29-C41 WeakPolarHBondContact OH-CB 3.12Å; Y29-C41 PolarHBondContact OH-O 3.05Å; K38-C41 PolarHBondContact O-SG 3.19Å; C41-L43 VanDerWaalsContact C-N 3.3Å; C41-L43 PolarHBondContact O-N 3.14Å; C41-F45 WeakPolarHBondContact O-CB 3.46Å; C41-F45 PolarHBondContact O-N 3.48Å
42	A	55.3	Low	57.5	Low	59 Å²	59	101.4 Å²	101.4	49%	0.488	52%	0.52	S	S	.	.	H	α-helix	trans	-67.7	-26.1	176.9	0	0	0	0	0	113.7	G40 L46	G40-A42 PolarHBondContact O-N 2.96Å; A42-L46 WeakPolarHBondContact O-CB 3.27Å; A42-L46 WeakPolarHBondContact O-CG 3.45Å; A42-L46 PolarHBondContact O-N 2.88Å
43	L	55.3	Low	57.1	Low	116 Å²	116	96.3 Å²	96.3	61%	0.607	49%	0.493	S	S	*	.	H	α-helix	trans	-73.6	-53	-176.9	-106.1	166.5	0	0	0	112.2	G40 C41 F45 L46 E47	G40-L43 PolarHBondContact O-N 3.44Å; C41-L43 VanDerWaalsContact C-N 3.3Å; C41-L43 PolarHBondContact O-N 3.14Å; L43-F45 PolarHBondContact O-N 3.31Å; L43-L46 PolarHBondContact O-N 3.42Å; L43-E47 PolarHBondContact O-N 3.28Å
44	E	61.5	Low	57.2	Low	146 Å²	146	101.6 Å²	101.6	68%	0.682	51%	0.509	S	S	*	.	H	α-helix	trans	-59	-39.3	176	-69.8	-166.2	162.6	0	0	110.9	E47 I48	E44-E47 PolarHBondContact O-N 2.89Å; E44-I48 VanDerWaalsContact O-CG1 3.27Å; E44-I48 WeakPolarHBondContact O-CG1 3.36Å; E44-I48 PolarHBondContact O-N 3.34Å
45	F	58.8	Low	57.6	Low	22 Å²	22	102.1 Å²	102.1	10%	0.096	51%	0.511	C	S	.	.	H	α-helix	trans	-64.7	-44.4	177.4	176.3	-110.5	0	0	0	113.4	F26 Y29 C41 L43 E47 I48 I49	F26-F45 AromaticContact CD2-CE1 3.99Å; F26-F45 HydrophobicContact CD2-CE1 3.99Å; Y29-F45 HydrophobicContact CD1-CD1 4.09Å; Y29-F45 HydrophobicContact CD1-CD2 4.16Å; Y29-F45 HydrophobicContact CD1-CE1 4.2Å; Y29-F45 HydrophobicContact CD1-CE2 4.29Å; Y29-F45 HydrophobicContact CD1-CG 4.02Å; Y29-F45 HydrophobicContact CD1-CZ 4.26Å; Y29-F45 HydrophobicContact CD2-CB 4.35Å; Y29-F45 AromaticContact CD2-CD2 3.19Å; Y29-F45 HydrophobicContact CD2-CD2 3.19Å; Y29-F45 AromaticContact CD2-CE2 3.44Å; Y29-F45 HydrophobicContact CD2-CE2 3.44Å; Y29-F45 VanDerWaalsContact CD2-CE2 3.44Å; Y29-F45 AromaticContact CD2-CG 3.8Å; Y29-F45 HydrophobicContact CD2-CG 3.8Å; Y29-F45 HydrophobicContact CD2-CZ 4.18Å; Y29-F45 HydrophobicContact CE1-CB 4.32Å; Y29-F45 HydrophobicContact CE1-CD1 4.48Å; Y29-F45 HydrophobicContact CE1-CG 4.19Å; Y29-F45 HydrophobicContact CE2-CB 3.97Å; Y29-F45 AromaticContact CE2-CD2 3.64Å; Y29-F45 HydrophobicContact CE2-CD2 3.64Å; Y29-F45 HydrophobicContact CE2-CE2 4.33Å; Y29-F45 AromaticContact CE2-CG 3.93Å; Y29-F45 HydrophobicContact CE2-CG 3.93Å; Y29-F45 HydrophobicContact CG-CD1 4.16Å; Y29-F45 AromaticContact CG-CD2 3.49Å; Y29-F45 HydrophobicContact CG-CD2 3.49Å; Y29-F45 VanDerWaalsContact CG-CD2 3.49Å; Y29-F45 HydrophobicContact CG-CE1 4.06Å; Y29-F45 AromaticContact CG-CE2 3.41Å; Y29-F45 HydrophobicContact CG-CE2 3.41Å; Y29-F45 VanDerWaalsContact CG-CE2 3.41Å; Y29-F45 AromaticContact CG-CG 3.84Å; Y29-F45 HydrophobicContact CG-CG 3.84Å; Y29-F45 AromaticContact CG-CZ 3.67Å; Y29-F45 HydrophobicContact CG-CZ 3.67Å; C41-F45 WeakPolarHBondContact O-CB 3.46Å; C41-F45 PolarHBondContact O-N 3.48Å; L43-F45 PolarHBondContact O-N 3.31Å; F45-E47 VanDerWaalsContact C-N 3.27Å; F45-E47 PolarHBondContact O-N 2.88Å; F45-I48 PolarHBondContact O-N 2.94Å; F45-I49 HydrophobicContact CD1-CD1 4.13Å; F45-I49 HydrophobicContact CD1-CG1 4.48Å; F45-I49 HydrophobicContact CD2-CG1 4.34Å; F45-I49 HydrophobicContact CE1-CD1 3.27Å; F45-I49 HydrophobicContact CE1-CG1 3.98Å; F45-I49 HydrophobicContact CE2-CD1 3.82Å; F45-I49 HydrophobicContact CE2-CG1 3.79Å; F45-I49 HydrophobicContact CZ-CD1 3.11Å; F45-I49 HydrophobicContact CZ-CG1 3.64Å; F45-I49 WeakPolarHBondContact O-CB 3.47Å; F45-I49 PolarHBondContact O-N 3.25Å
46	L	62.3	Low	57.9	Low	78 Å²	78	97.9 Å²	97.9	41%	0.408	49%	0.49	S	S	.	.	H	α-helix	trans	-58.7	-43.5	173.9	-88.4	164.6	0	0	0	110.4	A42 L43 I48 I49 F50	A42-L46 WeakPolarHBondContact O-CB 3.27Å; A42-L46 WeakPolarHBondContact O-CG 3.45Å; A42-L46 PolarHBondContact O-N 2.88Å; L43-L46 PolarHBondContact O-N 3.42Å; L46-I48 PolarHBondContact O-N 2.87Å; L46-I49 PolarHBondContact O-N 2.93Å; L46-F50 HydrophobicContact CB-CD2 4.21Å; L46-F50 HydrophobicContact CB-CE2 3.97Å; L46-F50 HydrophobicContact CD2-CD2 4.5Å; L46-F50 HydrophobicContact CD2-CE2 3.68Å; L46-F50 HydrophobicContact CD2-CZ 3.99Å; L46-F50 HydrophobicContact CG-CE2 4.38Å; L46-F50 WeakPolarHBondContact O-CB 3.28Å; L46-F50 WeakPolarHBondContact O-CD2 3.29Å; L46-F50 VanDerWaalsContact O-CG 3.3Å; L46-F50 WeakPolarHBondContact O-CG 3.42Å; L46-F50 PolarHBondContact O-N 2.9Å
47	E	65.5	Low	58.4	Low	139 Å²	139	96.5 Å²	96.5	65%	0.65	48%	0.48	S	S	*	.	H	α-helix	trans	-62.5	-42.2	177.4	-164.6	170.4	-171.7	0	0	112.3	L43 E44 F45 F50 K51	L43-E47 PolarHBondContact O-N 3.28Å; E44-E47 PolarHBondContact O-N 2.89Å; F45-E47 VanDerWaalsContact C-N 3.27Å; F45-E47 PolarHBondContact O-N 2.88Å; E47-F50 PolarHBondContact O-N 3.29Å; E47-K51 VanDerWaalsContact O-CB 3.28Å; E47-K51 WeakPolarHBondContact O-CB 3.31Å; E47-K51 PolarHBondContact O-N 3.49Å
48	I	66.6	Low	59	Low	88 Å²	88	93.7 Å²	93.7	45%	0.451	46%	0.462	S	S	.	.	H	α-helix	trans	-63.1	-45.8	174.1	-68.6	164.6	0	0	0	111.2	E44 F45 L46 F50 K51 K52	E44-I48 VanDerWaalsContact O-CG1 3.27Å; E44-I48 WeakPolarHBondContact O-CG1 3.36Å; E44-I48 PolarHBondContact O-N 3.34Å; F45-I48 PolarHBondContact O-N 2.94Å; L46-I48 PolarHBondContact O-N 2.87Å; I48-F50 VanDerWaalsContact C-N 3.35Å; I48-K51 PolarHBondContact O-N 3.26Å; I48-K52 HydrophobicContact CG2-CD 4.34Å; I48-K52 WeakPolarHBondContact O-CB 3.32Å; I48-K52 WeakPolarHBondContact O-CG 3.49Å; I48-K52 PolarHBondContact O-N 3.39Å
49	I	63.5	Low	59.8	Low	11 Å²	11	92 Å²	92	6%	0.056	46%	0.464	C	S	.	.	H	α-helix	trans	-59.4	-47.5	175.8	-81.5	-164.4	0	0	0	110.1	L25 F45 L46 K51 K52 M53	L25-I49 HydrophobicContact CB-CD1 3.9Å; L25-I49 HydrophobicContact CB-CG1 4.17Å; L25-I49 HydrophobicContact CD1-CG1 4.34Å; F45-I49 HydrophobicContact CD1-CD1 4.13Å; F45-I49 HydrophobicContact CD1-CG1 4.48Å; F45-I49 HydrophobicContact CD2-CG1 4.34Å; F45-I49 HydrophobicContact CE1-CD1 3.27Å; F45-I49 HydrophobicContact CE1-CG1 3.98Å; F45-I49 HydrophobicContact CE2-CD1 3.82Å; F45-I49 HydrophobicContact CE2-CG1 3.79Å; F45-I49 HydrophobicContact CZ-CD1 3.11Å; F45-I49 HydrophobicContact CZ-CG1 3.64Å; F45-I49 WeakPolarHBondContact O-CB 3.47Å; F45-I49 PolarHBondContact O-N 3.25Å; L46-I49 PolarHBondContact O-N 2.93Å; I49-K51 PolarHBondContact O-N 3.44Å; I49-K52 PolarHBondContact O-N 3.4Å; I49-M53 HydrophobicContact CG2-CE 3.27Å; I49-M53 HydrophobicContact CG2-CG 4.36Å; I49-M53 WeakPolarHBondContact O-CB 3.41Å; I49-M53 WeakPolarHBondContact O-CG 3.34Å; I49-M53 PolarHBondContact O-N 3.32Å
50	F	63.9	Low	60.6	Low	83 Å²	83	88.2 Å²	88.2	36%	0.364	44%	0.441	S	S	.	.	H	α-helix	trans	-65	-40.9	-179.1	-74.2	-54.7	0	0	0	111.7	L46 E47 I48 M53 R54	L46-F50 HydrophobicContact CB-CD2 4.21Å; L46-F50 HydrophobicContact CB-CE2 3.97Å; L46-F50 HydrophobicContact CD2-CD2 4.5Å; L46-F50 HydrophobicContact CD2-CE2 3.68Å; L46-F50 HydrophobicContact CD2-CZ 3.99Å; L46-F50 HydrophobicContact CG-CE2 4.38Å; L46-F50 WeakPolarHBondContact O-CB 3.28Å; L46-F50 WeakPolarHBondContact O-CD2 3.29Å; L46-F50 VanDerWaalsContact O-CG 3.3Å; L46-F50 WeakPolarHBondContact O-CG 3.42Å; L46-F50 PolarHBondContact O-N 2.9Å; E47-F50 PolarHBondContact O-N 3.29Å; I48-F50 VanDerWaalsContact C-N 3.35Å; F50-M53 PolarHBondContact O-N 3Å; F50-R54 VanDerWaalsContact O-CB 3.29Å; F50-R54 WeakPolarHBondContact O-CB 3.29Å; F50-R54 PolarHBondContact O-N 3.16Å
51	K	69.8	Low	60.7	Low	132 Å²	132	87.4 Å²	87.4	57%	0.574	42%	0.424	S	S	*	.	H	α-helix	trans	-65	-41	176.2	-167	173.2	-175.7	173.5	0	111.7	E47 I48 I49 R55	E47-K51 VanDerWaalsContact O-CB 3.28Å; E47-K51 WeakPolarHBondContact O-CB 3.31Å; E47-K51 PolarHBondContact O-N 3.49Å; I48-K51 PolarHBondContact O-N 3.26Å; I49-K51 PolarHBondContact O-N 3.44Å; K51-R55 PolarHBondContact O-N 3.01Å; K51-R55 VanDerWaalsContact O-N 3.1Å
52	K	67.4	Low	60.7	Low	113 Å²	113	87.8 Å²	87.8	49%	0.491	43%	0.428	S	S	.	.	H	α-helix	trans	-66.7	-44	174.1	-80.9	-176.1	176.3	178.6	0	112	L25 I48 I49 R55 K56	L25-K52 HydrophobicContact CD1-CD 4.4Å; I48-K52 HydrophobicContact CG2-CD 4.34Å; I48-K52 WeakPolarHBondContact O-CB 3.32Å; I48-K52 WeakPolarHBondContact O-CG 3.49Å; I48-K52 PolarHBondContact O-N 3.39Å; I49-K52 PolarHBondContact O-N 3.4Å; K52-R55 PolarHBondContact O-N 3.41Å; K52-K56 PolarHBondContact O-N 2.79Å
53	M	60.5	Low	60.3	Low	23 Å²	23	89.7 Å²	89.7	11%	0.113	44%	0.435	C	S	.	.	H	α-helix	trans	-63.5	-41.9	176.9	-80.8	-152.3	-106.1	0	0	111.7	A22 I49 F50 K56 F57 F225	A22-M53 HydrophobicContact CB-CE 3.36Å; A22-M53 HydrophobicContact CB-SD 3.73Å; I49-M53 HydrophobicContact CG2-CE 3.27Å; I49-M53 HydrophobicContact CG2-CG 4.36Å; I49-M53 WeakPolarHBondContact O-CB 3.41Å; I49-M53 WeakPolarHBondContact O-CG 3.34Å; I49-M53 PolarHBondContact O-N 3.32Å; F50-M53 PolarHBondContact O-N 3Å; M53-K56 PolarHBondContact O-N 2.83Å; M53-F57 WeakPolarHBondContact O-CB 3.38Å; M53-F57 PolarHBondContact O-N 3.11Å; M53-F225 HydrophobicContact CE-CE1 4.5Å
54	R	63.2	Low	59.5	Low	157 Å²	157	88.8 Å²	88.8	59%	0.592	44%	0.437	S	S	*	.	H	α-helix	trans	-58.6	-52.1	175.4	-175.9	-177.1	-63.6	166.6	-0.7	111	F50 K56 F57 E58	F50-R54 VanDerWaalsContact O-CB 3.29Å; F50-R54 WeakPolarHBondContact O-CB 3.29Å; F50-R54 PolarHBondContact O-N 3.16Å; R54-K56 VanDerWaalsContact C-N 3.32Å; R54-K56 PolarHBondContact O-N 3.3Å; R54-F57 PolarHBondContact O-N 2.85Å; R54-E58 HydrophobicContact CG-CG 4.48Å; R54-E58 VanDerWaalsContact CG-OE1 3.28Å; R54-E58 WeakPolarHBondContact CG-OE1 3.44Å; R54-E58 WeakPolarHBondContact O-CB 3.46Å; R54-E58 WeakPolarHBondContact O-CG 3.29Å; R54-E58 PolarHBondContact O-N 3.5Å
55	R	64.3	Low	58.8	Low	168 Å²	168	86.4 Å²	86.4	63%	0.634	42%	0.423	S	S	*	.	H	α-helix	trans	-57.7	-43.4	176.5	-82.6	-175.1	177.8	175.7	-1.7	112.4	K51 K52 E58 T59	K51-R55 PolarHBondContact O-N 3.01Å; K51-R55 VanDerWaalsContact O-N 3.1Å; K52-R55 PolarHBondContact O-N 3.41Å; R55-E58 PolarHBondContact O-N 3.35Å; R55-T59 WeakPolarHBondContact O-CG2 3.49Å; R55-T59 PolarHBondContact O-N 2.8Å; R55-T59 PolarHBondContact O-OG1 3.11Å; R55-T59 VanDerWaalsContact O-OG1 3.06Å
56	K	62.3	Low	57.9	Low	88 Å²	88	90.9 Å²	90.9	38%	0.383	44%	0.443	S	S	.	.	H	α-helix	trans	-67.1	-38	179.5	-79.6	-166	174.9	-173.2	0	113	L18 E21 K52 M53 R54 T59 S60	L18-K56 HydrophobicContact CD2-CB 3.82Å; E21-K56 IonicContact OE1-NZ 2.72Å; E21-K56 PolarHBondContact OE1-NZ 2.91Å; E21-K56 WeakPolarHBondContact OE2-CD 3.45Å; E21-K56 WeakPolarHBondContact OE2-CE 3.41Å; E21-K56 IonicContact OE2-NZ 2.62Å; E21-K56 PolarHBondContact OE2-NZ 3.48Å; K52-K56 PolarHBondContact O-N 2.79Å; M53-K56 PolarHBondContact O-N 2.83Å; R54-K56 VanDerWaalsContact C-N 3.32Å; R54-K56 PolarHBondContact O-N 3.3Å; K56-T59 VanDerWaalsContact CA-OG1 3.28Å; K56-T59 WeakPolarHBondContact CA-OG1 3.49Å; K56-T59 PolarHBondContact O-N 2.9Å; K56-T59 PolarHBondContact O-OG1 2.84Å; K56-S60 WeakPolarHBondContact O-CB 3.41Å; K56-S60 PolarHBondContact O-N 3.5Å; K56-S60 PolarHBondContact O-OG 3.43Å
57	F	59.1	Low	56.7	Low	60 Å²	60	94 Å²	94	26%	0.263	46%	0.464	S	S	.	.	H	α-helix	trans	-63.5	-48.4	173.1	-176.5	-98.4	0	0	0	110.7	L18 M53 R54 T59 S60 L61 W229	L18-F57 HydrophobicContact CD1-CB 4Å; L18-F57 HydrophobicContact CD1-CD2 3.71Å; L18-F57 HydrophobicContact CD1-CG 4.34Å; M53-F57 WeakPolarHBondContact O-CB 3.38Å; M53-F57 PolarHBondContact O-N 3.11Å; R54-F57 PolarHBondContact O-N 2.85Å; F57-T59 VanDerWaalsContact C-N 3.31Å; F57-T59 PolarHBondContact O-N 3.21Å; F57-S60 PolarHBondContact O-N 2.75Å; F57-L61 HydrophobicContact CD1-CD1 4.25Å; F57-L61 HydrophobicContact CE1-CD1 3.96Å; F57-L61 HydrophobicContact CE1-CD2 4.38Å; F57-L61 HydrophobicContact CE1-CG 4.29Å; F57-L61 HydrophobicContact CZ-CD2 4.33Å; F57-L61 PolarHBondContact O-N 2.97Å; F57-L61 VanDerWaalsContact O-N 3.11Å; F57-W229 HydrophobicContact CD2-CH2 4.19Å; F57-W229 HydrophobicContact CE2-CH2 4.27Å; F57-W229 HydrophobicContact CE2-CZ3 4.44Å
58	E	59.6	Low	55.2	Low	104 Å²	104	98 Å²	98	49%	0.486	47%	0.473	S	S	.	.	H	α-helix	trans	-57	-41.2	175.4	-73	166.8	-179.5	0	0	112.1	R54 R55	R54-E58 HydrophobicContact CG-CG 4.48Å; R54-E58 VanDerWaalsContact CG-OE1 3.28Å; R54-E58 WeakPolarHBondContact CG-OE1 3.44Å; R54-E58 WeakPolarHBondContact O-CB 3.46Å; R54-E58 WeakPolarHBondContact O-CG 3.29Å; R54-E58 PolarHBondContact O-N 3.5Å; R55-E58 PolarHBondContact O-N 3.35Å
59	T	64.6	Low	53.7	Low	114 Å²	114	102.8 Å²	102.8	70%	0.699	49%	0.494	S	S	*	.	H	α-helix	trans	-74.7	-20.9	175.7	53	0	0	0	0	114.4	R55 K56 F57	R55-T59 WeakPolarHBondContact O-CG2 3.49Å; R55-T59 PolarHBondContact O-N 2.8Å; R55-T59 PolarHBondContact O-OG1 3.11Å; R55-T59 VanDerWaalsContact O-OG1 3.06Å; K56-T59 VanDerWaalsContact CA-OG1 3.28Å; K56-T59 WeakPolarHBondContact CA-OG1 3.49Å; K56-T59 PolarHBondContact O-N 2.9Å; K56-T59 PolarHBondContact O-OG1 2.84Å; F57-T59 VanDerWaalsContact C-N 3.31Å; F57-T59 PolarHBondContact O-N 3.21Å
60	S	58.7	Low	52.3	Low	58 Å²	58	107.6 Å²	107.6	41%	0.406	53%	0.529	S	S	.	.	H	α-helix	trans	-86.4	-16.4	179.1	-58.8	0	0	0	0	112.3	F10 K56 F57 S62	F10-S60 WeakPolarHBondContact CE2-O 3.44Å; F10-S60 WeakPolarHBondContact CZ-O 3.41Å; K56-S60 WeakPolarHBondContact O-CB 3.41Å; K56-S60 PolarHBondContact O-N 3.5Å; K56-S60 PolarHBondContact O-OG 3.43Å; F57-S60 PolarHBondContact O-N 2.75Å; S60-S62 PolarHBondContact O-N 2.96Å; S60-S62 VanDerWaalsContact O-N 3.14Å
61	L	46.4	Very low	50.7	Low	32 Å²	32	112.9 Å²	112.9	17%	0.168	55%	0.551	C	S	.	*	S	Bend	trans	-66.2	111.8	170.3	-71	168.5	0	0	0	108.1	W7 F10 F57 F66	W7-L61 HydrophobicContact CH2-CD2 4Å; W7-L61 HydrophobicContact CZ3-CD2 4.19Å; F10-L61 HydrophobicContact CE1-CD2 3.88Å; F10-L61 HydrophobicContact CZ-CD2 4.09Å; F57-L61 HydrophobicContact CD1-CD1 4.25Å; F57-L61 HydrophobicContact CE1-CD1 3.96Å; F57-L61 HydrophobicContact CE1-CD2 4.38Å; F57-L61 HydrophobicContact CE1-CG 4.29Å; F57-L61 HydrophobicContact CZ-CD2 4.33Å; F57-L61 PolarHBondContact O-N 2.97Å; F57-L61 VanDerWaalsContact O-N 3.11Å; L61-F66 HydrophobicContact CB-CE2 3.93Å; L61-F66 HydrophobicContact CB-CZ 4.24Å; L61-F66 HydrophobicContact CD1-CZ 4.34Å
62	S	46	Very low	49.1	Very low	53 Å²	53	112.8 Å²	112.8	37%	0.371	56%	0.564	S	S	.	*			trans	-55.6	141.9	170.8	-178.9	0	0	0	0	109.3	S60 C64 Y65	S60-S62 PolarHBondContact O-N 2.96Å; S60-S62 VanDerWaalsContact O-N 3.14Å; S62-C64 WeakPolarHBondContact CB-SG 2.89Å; S62-C64 PolarHBondContact O-N 2.92Å; S62-C64 PolarHBondContact OG-SG 3.3Å; S62-Y65 PolarHBondContact O-N 2.64Å
63	P	48.1	Very low	47.7	Very low	99 Å²	99	112.1 Å²	112.1	64%	0.643	58%	0.58	S	S	*	*	G	3₁₀ helix	trans	-49.5	-23.3	175.2	-28.5	34.5	0	0	0	114	Y65 F66	P63-Y65 PolarHBondContact O-N 3.04Å; P63-F66 PolarHBondContact O-N 3.16Å; P63-F66 VanDerWaalsContact O-N 3.17Å
64	C	38.6	Very low	46.5	Very low	97 Å²	97	120.1 Å²	120.1	66%	0.655	62%	0.617	S	S	*	*	G	3₁₀ helix	trans	-68.1	-12.5	177.7	56.8	0	0	0	0	115.2	S62	S62-C64 WeakPolarHBondContact CB-SG 2.89Å; S62-C64 PolarHBondContact O-N 2.92Å; S62-C64 PolarHBondContact OG-SG 3.3Å
65	Y	45.2	Very low	45.4	Very low	95 Å²	95	120.6 Å²	120.6	37%	0.373	63%	0.63	S	S	.	*	G	3₁₀ helix	trans	-91.6	-3.7	172.8	-63.7	-68.9	0	0	0	113.6	W7 S62 P63	W7-Y65 AromaticContact CE3-CD1 3.8Å; W7-Y65 HydrophobicContact CE3-CD1 3.8Å; W7-Y65 AromaticContact CE3-CE1 3.43Å; W7-Y65 HydrophobicContact CE3-CE1 3.43Å; W7-Y65 VanDerWaalsContact CE3-CE1 3.43Å; W7-Y65 HydrophobicContact CE3-CE2 4.35Å; W7-Y65 HydrophobicContact CE3-CG 4.42Å; W7-Y65 AromaticContact CE3-CZ 3.73Å; W7-Y65 AromaticContact CZ3-CD1 3.61Å; W7-Y65 HydrophobicContact CZ3-CD1 3.61Å; W7-Y65 HydrophobicContact CZ3-CD2 4.11Å; W7-Y65 AromaticContact CZ3-CE1 3.7Å; W7-Y65 HydrophobicContact CZ3-CE1 3.7Å; W7-Y65 HydrophobicContact CZ3-CE2 4.16Å; W7-Y65 AromaticContact CZ3-CG 3.83Å; W7-Y65 HydrophobicContact CZ3-CG 3.83Å; W7-Y65 AromaticContact CZ3-CZ 3.97Å; S62-Y65 PolarHBondContact O-N 2.64Å; P63-Y65 PolarHBondContact O-N 3.04Å
66	F	41	Very low	44	Very low	117 Å²	117	118.3 Å²	118.3	51%	0.513	64%	0.637	S	S	.	*	S	Bend	trans	-91.6	111.1	171	-63.9	-88.6	0	0	0	108.2	L61 P63 R68	L61-F66 HydrophobicContact CB-CE2 3.93Å; L61-F66 HydrophobicContact CB-CZ 4.24Å; L61-F66 HydrophobicContact CD1-CZ 4.34Å; P63-F66 PolarHBondContact O-N 3.16Å; P63-F66 VanDerWaalsContact O-N 3.17Å; F66-R68 PolarHBondContact O-N 3.22Å
67	V	36	Very low	42.6	Very low	142 Å²	142	119.4 Å²	119.4	86%	0.861	66%	0.655	S	S	*	*			trans	-60.3	109.6	167.7	176.6	0	0	0	0	106.9	E69	V67-E69 PolarHBondContact O-N 3.16Å
68	R	33.6	Very low	41.3	Very low	224 Å²	224	121.4 Å²	121.4	85%	0.845	68%	0.677	S	S	*	*			trans	-77.5	113.1	170.6	-148.1	-175.8	-73	176	-3.7	105.6	F66 S70	F66-R68 PolarHBondContact O-N 3.22Å; R68-S70 PolarHBondContact O-N 3.48Å
69	E	35.8	Very low	40.2	Very low	188 Å²	188	125.1 Å²	125.1	88%	0.879	69%	0.691	S	S	*	*			trans	-56.7	103.9	168.6	-85.3	-179.1	151	0	0	108.8	V67 K71	V67-E69 PolarHBondContact O-N 3.16Å; E69-K71 PolarHBondContact O-N 3.41Å
70	S	33.8	Very low	38.9	Very low	113 Å²	113	127.5 Å²	127.5	79%	0.79	70%	0.698	S	S	*	*			trans	-82.2	105.9	166.7	54.5	0	0	0	0	108.1	R68	R68-S70 PolarHBondContact O-N 3.48Å
71	K	31.6	Very low	37.7	Very low	193 Å²	193	127.4 Å²	127.4	84%	0.839	71%	0.706	S	S	*	*	P	Polyproline II helix	trans	-52.7	143.6	160.8	-77.2	179.4	175.7	177.8	0	109.4	E69 A73	E69-K71 PolarHBondContact O-N 3.41Å; K71-A73 PolarHBondContact O-N 3.43Å
72	P	36.1	Very low	37.2	Very low	130 Å²	130	132.3 Å²	132.3	84%	0.844	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-69.3	119.4	-179.7	28.8	-30.9	0	0	0	109.1
73	A	37.1	Very low	36.7	Very low	100 Å²	100	136.4 Å²	136.4	83%	0.826	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-87.8	134.1	177.1	0	0	0	0	0	110.7	K71	K71-A73 PolarHBondContact O-N 3.43Å
74	E	36.5	Very low	36.2	Very low	191 Å²	191	138.2 Å²	138.2	89%	0.893	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-64.2	156.5	179.2	-65.6	172.6	150.3	0	0	113.7
75	I	38.4	Very low	36.1	Very low	167 Å²	167	141.5 Å²	141.5	86%	0.856	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-64.5	134.8	177.9	-60.8	161.6	0	0	0	110.5
76	P	34.8	Very low	35.5	Very low	120 Å²	120	143 Å²	143	78%	0.779	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-95.1	143.2	-177.2	35.5	-30.4	0	0	0	112.5
77	S	34.2	Very low	35.3	Very low	110 Å²	110	143.3 Å²	143.3	77%	0.769	79%	0.788	S	S	*	*			trans	-145.1	117.5	156.9	65	0	0	0	0	113
78	S	32.2	Very low	35.1	Very low	102 Å²	102	143.8 Å²	143.8	71%	0.713	79%	0.786	S	S	*	*			trans	78.7	120.8	145	77.1	0	0	0	0	121.6
79	K	36.1	Very low	35.3	Very low	183 Å²	183	141.8 Å²	141.8	80%	0.796	79%	0.786	S	S	*	*				94.1	121.5	124.2	-89.2	178.2	-180	178	0	120.3
80	I	36.5	Very low	34.9	Very low	163 Å²	163	143.2 Å²	143.2	84%	0.836	78%	0.783	S	S	*	*			trans	75.7	131.5	146.4	-51.8	154.7	0	0	0	113.1
81	G	34	Very low	34.6	Very low	56 Å²	56	144.9 Å²	144.9	58%	0.577	78%	0.783	S	S	*	*			cis	153.7	140.7	10.6	0	0	0	0	0	106.8
82	T	35.7	Very low	34.5	Very low	136 Å²	136	141.2 Å²	141.2	83%	0.834	78%	0.781	S	S	*	*			trans	71.6	122	157.5	53.9	0	0	0	0	122.6
83	D	35.3	Very low	34	Very low	138 Å²	138	144.4 Å²	144.4	74%	0.738	78%	0.782	S	S	*	*			trans	90	103.6	130	-74.2	-18.2	0	0	0	124.3
84	L	37.8	Very low	33.7	Very low	138 Å²	138	149.2 Å²	149.2	72%	0.723	79%	0.785	S	S	*	*				63.7	127.3	115.8	-102.9	84	0	0	0	123.1
85	K	36.5	Very low	33.2	Very low	166 Å²	166	148.9 Å²	148.9	72%	0.722	78%	0.783	S	S	*	*			trans	95	109.3	132.2	-95.8	-175.6	178	173.8	0	121.4
86	N	32.9	Very low	32.9	Very low	125 Å²	125	148.8 Å²	148.8	67%	0.668	78%	0.779	S	S	*	*				75.7	127.8	116	-81.1	14.3	0	0	0	122.7
87	T	36.8	Very low	32.7	Very low	124 Å²	124	148.8 Å²	148.8	76%	0.761	77%	0.773	S	S	*	*			trans	65.5	146.2	133.7	55.4	0	0	0	0	118.5
88	D	32.4	Very low	32.4	Very low	153 Å²	153	150.7 Å²	150.7	82%	0.818	77%	0.773	S	S	*	*			cis	-173.2	-176.6	-17.9	-153.6	-23	0	0	0	103.2
89	E	36	Very low	32.1	Very low	182 Å²	182	151.7 Å²	151.7	85%	0.85	78%	0.78	S	S	*	*			trans	96.8	152.2	169.4	-48.9	-156.8	129.8	0	0	118.7
90	R	27.6	Very low	31.7	Very low	217 Å²	217	149.9 Å²	149.9	82%	0.819	78%	0.778	S	S	*	*				-168.3	149.2	-59.3	-162.3	-165.9	171.1	146.1	-3.8	104.6
91	L	29	Very low	31.2	Very low	148 Å²	148	149 Å²	149	78%	0.775	77%	0.774	S	S	*	*			trans	76.6	122.7	159.3	-49.5	174.8	0	0	0	119.8
92	S	28.3	Very low	30.9	Very low	116 Å²	116	151.9 Å²	151.9	81%	0.811	79%	0.786	S	S	*	*				159	152.6	93.7	-162.7	0	0	0	0	113.2
93	F	26.2	Very low	30.5	Very low	197 Å²	197	150.8 Å²	150.8	86%	0.864	78%	0.784	S	S	*	*			trans	-69.2	150.3	-173.5	-76.2	-106.6	0	0	0	115.6
94	K	30.8	Very low	30.2	Very low	201 Å²	201	150 Å²	150	87%	0.874	79%	0.79	S	S	*	*				-178.5	130.9	122.4	-111	176	172.3	-177.4	0	113.5
95	E	26.3	Very low	29.8	Very low	184 Å²	184	149.7 Å²	149.7	86%	0.86	79%	0.794	S	S	*	*			trans	-70.2	144	157.8	-72	171.9	131.4	0	0	109.9
96	E	31.6	Very low	29.6	Very low	166 Å²	166	150.7 Å²	150.7	78%	0.776	80%	0.801	S	S	*	*			trans	178.1	129.9	136.6	-102.6	178.5	167.5	0	0	112.8
97	N	30.4	Very low	29.5	Very low	120 Å²	120	152.8 Å²	152.8	64%	0.642	81%	0.811	S	S	*	*			trans	76.5	110.1	141	-59.2	-34.5	0	0	0	122.6
98	L	27.2	Very low	29.2	Very low	150 Å²	150	151.9 Å²	151.9	79%	0.785	81%	0.81	S	S	*	*				47.6	110.8	121.3	-67.9	147.8	0	0	0	119.3
99	S	27.3	Very low	29.3	Very low	122 Å²	122	152.9 Å²	152.9	85%	0.853	81%	0.809	S	S	*	*				-163.9	120	126.8	59.3	0	0	0	0	111.3
100	I	27.5	Very low	29.1	Very low	146 Å²	146	151.9 Å²	151.9	75%	0.749	81%	0.81	S	S	*	*			trans	-81	130.7	171.9	-58.3	169.9	0	0	0	107.3
101	N	26.1	Very low	29.2	Very low	143 Å²	143	150.2 Å²	150.2	77%	0.765	81%	0.809	S	S	*	*			trans	141.9	141.5	147.6	-73.3	-30	0	0	0	112.3
102	S	27.4	Very low	29.7	Very low	118 Å²	118	147.6 Å²	147.6	83%	0.825	80%	0.803	S	S	*	*	S	Bend	trans	88.6	58.4	155.6	-44.6	0	0	0	0	118.4
103	S	28.2	Very low	30.3	Very low	113 Å²	113	148.1 Å²	148.1	79%	0.79	79%	0.792	S	S	*	*			trans	-174.9	77.1	141.8	58.2	0	0	0	0	109.7
104	S	27.5	Very low	30.8	Very low	122 Å²	122	142 Å²	142	85%	0.853	77%	0.768	S	S	*	*			trans	-138.7	25.5	177.7	-63.8	0	0	0	0	113.5
105	T	30.9	Very low	31	Very low	131 Å²	131	135.7 Å²	135.7	80%	0.804	75%	0.753	S	S	*	*	S	Bend	trans	-124.4	4.9	-173.8	22.1	0	0	0	0	115.7
106	E	31.1	Very low	31.3	Very low	187 Å²	187	135.3 Å²	135.3	87%	0.874	75%	0.745	S	S	*	*	S	Bend	trans	-123.7	9.2	-177.2	-69.2	-167.7	163.9	0	0	115.9
107	L	30.8	Very low	31.6	Very low	168 Å²	168	129.5 Å²	129.5	88%	0.88	73%	0.726	S	S	*	*			trans	-106.2	15.9	-178.2	-69.6	175.1	0	0	0	115
108	S	31.3	Very low	31.8	Very low	106 Å²	106	127.4 Å²	127.4	74%	0.741	72%	0.715	S	S	*	*	S	Bend	trans	-89.7	0.4	-177.6	60.8	0	0	0	0	116.1
109	E	33.5	Very low	32.4	Very low	173 Å²	173	123 Å²	123	81%	0.808	70%	0.699	S	S	*	*	S	Bend	trans	-106.8	-10	-167.2	-70.4	-173	160.2	0	0	116.9
110	N	32.8	Very low	33	Very low	161 Å²	161	119.4 Å²	119.4	86%	0.861	68%	0.675	S	S	*	*	S	Bend	trans	-128.1	17.2	-171.8	-82.2	-21.1	0	0	0	117.4
111	F	29.5	Very low	33.7	Very low	183 Å²	183	115.3 Å²	115.3	80%	0.803	66%	0.663	S	S	*	*	S	Bend	trans	-102	131.1	170.2	-90.2	-86.8	0	0	0	111.8	H113	F111-H113 PolarHBondContact O-N 3.42Å
112	S	39.1	Very low	34.3	Very low	92 Å²	92	112.7 Å²	112.7	64%	0.643	65%	0.652	S	S	*	*			trans	-45.9	107.8	-177.6	60.9	0	0	0	0	111.7	I114 A115	S112-I114 PolarHBondContact O-N 3.01Å; S112-A115 PolarHBondContact O-N 3.32Å
113	H	40.9	Very low	35.1	Very low	128 Å²	128	109.7 Å²	109.7	59%	0.593	63%	0.628	S	S	*	*	H	α-helix	trans	-51.8	-21.6	-169.9	-144.9	-116.3	0	0	0	114.3	F111 A117 Q328	F111-H113 PolarHBondContact O-N 3.42Å; H113-A117 WeakPolarHBondContact O-CB 3.3Å; H113-A117 PolarHBondContact O-N 3.29Å; H113-Q328 PolarHBondContact ND1-OE1 3.04Å; H113-Q328 VanDerWaalsContact ND1-OE1 3.08Å
114	I	35.7	Very low	35.8	Very low	67 Å²	67	107 Å²	107	34%	0.344	61%	0.613	S	S	.	*	H	α-helix	trans	-74.4	-37.6	-171.8	-63.5	168.1	0	0	0	113.1	S112 N118	S112-I114 PolarHBondContact O-N 3.01Å; I114-N118 WeakPolarHBondContact O-CB 3.38Å; I114-N118 VanDerWaalsContact O-CG 3.25Å; I114-N118 PolarHBondContact O-N 3.23Å; I114-N118 PolarHBondContact O-ND2 3Å; I114-N118 VanDerWaalsContact O-ND2 3.13Å
115	A	35	Very low	36.5	Very low	69 Å²	69	103.9 Å²	103.9	57%	0.57	59%	0.594	S	S	*	*	H	α-helix	trans	-72.1	-39	-179.7	0	0	0	0	0	111.5	S112 A119	S112-A115 PolarHBondContact O-N 3.32Å; A115-A119 PolarHBondContact O-N 3.37Å
116	Y	34.4	Very low	36.9	Very low	176 Å²	176	100.1 Å²	100.1	69%	0.69	58%	0.577	S	S	*	*	H	α-helix	trans	-71.9	-39.2	175.4	-163.3	-95.5	0	0	0	111.6	A119 S120	Y116-A119 PolarHBondContact O-N 3.41Å; Y116-S120 WeakPolarHBondContact O-CB 3.19Å; Y116-S120 PolarHBondContact O-N 3.33Å; Y116-S120 PolarHBondContact O-OG 3.34Å
117	A	37.8	Very low	37.5	Very low	45 Å²	45	99.6 Å²	99.6	37%	0.372	57%	0.566	S	S	.	*	H	α-helix	trans	-64.2	-42.7	176.3	0	0	0	0	0	112.8	H113 S120 A121	H113-A117 WeakPolarHBondContact O-CB 3.3Å; H113-A117 PolarHBondContact O-N 3.29Å; A117-S120 PolarHBondContact O-N 3.43Å; A117-A121 WeakPolarHBondContact O-CB 3.42Å; A117-A121 PolarHBondContact O-N 2.68Å
118	N	34.7	Very low	38.3	Very low	76 Å²	76	95.2 Å²	95.2	41%	0.406	55%	0.55	S	S	.	.	H	α-helix	trans	-67.4	-40.6	178.2	-72.6	-29.9	0	0	0	112.2	I114 V122	I114-N118 WeakPolarHBondContact O-CB 3.38Å; I114-N118 VanDerWaalsContact O-CG 3.25Å; I114-N118 PolarHBondContact O-N 3.23Å; I114-N118 PolarHBondContact O-ND2 3Å; I114-N118 VanDerWaalsContact O-ND2 3.13Å; N118-V122 WeakPolarHBondContact O-CG2 3.37Å; N118-V122 PolarHBondContact O-N 3.49Å
119	A	38.3	Very low	38.8	Very low	56 Å²	56	98 Å²	98	46%	0.463	55%	0.549	S	S	.	.	H	α-helix	trans	-66.5	-40.6	173.8	0	0	0	0	0	111.7	A115 Y116 V122 V123	A115-A119 PolarHBondContact O-N 3.37Å; Y116-A119 PolarHBondContact O-N 3.41Å; A119-V122 PolarHBondContact O-N 3.24Å; A119-V123 VanDerWaalsContact O-CG2 3.28Å; A119-V123 WeakPolarHBondContact O-CG2 3.34Å; A119-V123 PolarHBondContact O-N 3.43Å
120	S	40.1	Very low	39.3	Very low	48 Å²	48	92 Å²	92	34%	0.336	53%	0.529	S	S	.	.	H	α-helix	trans	-66.1	-37.5	177.9	-60.4	0	0	0	0	112.4	Y116 A117 V123 A124	Y116-S120 WeakPolarHBondContact O-CB 3.19Å; Y116-S120 PolarHBondContact O-N 3.33Å; Y116-S120 PolarHBondContact O-OG 3.34Å; A117-S120 PolarHBondContact O-N 3.43Å; S120-V123 PolarHBondContact O-N 3.46Å; S120-A124 VanDerWaalsContact O-CB 3.29Å; S120-A124 WeakPolarHBondContact O-CB 3.3Å; S120-A124 PolarHBondContact O-N 3Å
121	A	41.6	Very low	39.9	Very low	60 Å²	60	89.9 Å²	89.9	50%	0.496	52%	0.522	S	S	.	.	H	α-helix	trans	-65.5	-38.8	175.6	0	0	0	0	0	112.2	A117 A124 A125	A117-A121 WeakPolarHBondContact O-CB 3.42Å; A117-A121 PolarHBondContact O-N 2.68Å; A121-A124 PolarHBondContact O-N 2.8Å; A121-A125 WeakPolarHBondContact O-CB 3.11Å; A121-A125 PolarHBondContact O-N 2.85Å
122	V	39.9	Very low	40.5	Very low	88 Å²	88	85.5 Å²	85.5	53%	0.533	52%	0.519	S	S	.	.	H	α-helix	trans	-68.3	-39.7	174.3	175.5	0	0	0	0	111.1	N118 A119 A125 A126	N118-V122 WeakPolarHBondContact O-CG2 3.37Å; N118-V122 PolarHBondContact O-N 3.49Å; A119-V122 PolarHBondContact O-N 3.24Å; V122-A125 PolarHBondContact O-N 3.15Å; V122-A126 WeakPolarHBondContact O-CB 3.17Å; V122-A126 PolarHBondContact O-N 2.89Å
123	V	44.2	Very low	40.7	Very low	55 Å²	55	85.3 Å²	85.3	33%	0.333	52%	0.523	S	S	.	.	H	α-helix	trans	-65.9	-39.7	174.6	171.5	0	0	0	0	111.4	A119 S120 A126 R127	A119-V123 VanDerWaalsContact O-CG2 3.28Å; A119-V123 WeakPolarHBondContact O-CG2 3.34Å; A119-V123 PolarHBondContact O-N 3.43Å; S120-V123 PolarHBondContact O-N 3.46Å; V123-A126 PolarHBondContact O-N 3.25Å; V123-R127 WeakPolarHBondContact O-CB 3.32Å; V123-R127 WeakPolarHBondContact O-CG 3.13Å; V123-R127 PolarHBondContact O-N 3.12Å
124	A	42.8	Very low	40.7	Very low	57 Å²	57	82.7 Å²	82.7	47%	0.471	52%	0.519	S	S	.	.	H	α-helix	trans	-66.2	-43	175.7	0	0	0	0	0	111.6	S120 A121 A126 R127 S128	S120-A124 VanDerWaalsContact O-CB 3.29Å; S120-A124 WeakPolarHBondContact O-CB 3.3Å; S120-A124 PolarHBondContact O-N 3Å; A121-A124 PolarHBondContact O-N 2.8Å; A124-A126 PolarHBondContact O-N 3.26Å; A124-R127 PolarHBondContact O-N 3.36Å; A124-S128 PolarHBondContact O-N 3.04Å; A124-S128 PolarHBondContact O-OG 2.93Å
125	A	41.4	Very low	40.7	Very low	55 Å²	55	83.4 Å²	83.4	46%	0.455	54%	0.543	S	S	.	.	H	α-helix	trans	-67	-33.1	175.6	0	0	0	0	0	113.2	A121 V122 S128 K129	A121-A125 WeakPolarHBondContact O-CB 3.11Å; A121-A125 PolarHBondContact O-N 2.85Å; V122-A125 PolarHBondContact O-N 3.15Å; A125-S128 PolarHBondContact O-OG 3.37Å; A125-K129 PolarHBondContact O-N 2.94Å
126	A	40.8	Very low	40.8	Very low	53 Å²	53	84.4 Å²	84.4	44%	0.438	54%	0.542	S	S	.	.	H	α-helix	trans	-71.9	-40	173.3	0	0	0	0	0	111.7	V122 V123 A124 A130	V122-A126 WeakPolarHBondContact O-CB 3.17Å; V122-A126 PolarHBondContact O-N 2.89Å; V123-A126 PolarHBondContact O-N 3.25Å; A124-A126 PolarHBondContact O-N 3.26Å; A126-A130 PolarHBondContact O-N 3.3Å; A126-A130 VanDerWaalsContact O-N 3.12Å
127	R	44	Very low	40.6	Very low	175 Å²	175	87.6 Å²	87.6	66%	0.66	55%	0.553	S	S	*	*	H	α-helix	trans	-67.4	-41	176.1	-77.8	-178.6	176.2	-166.8	-1.4	112.2	V123 A124 K129 A130 V131	V123-R127 WeakPolarHBondContact O-CB 3.32Å; V123-R127 WeakPolarHBondContact O-CG 3.13Å; V123-R127 PolarHBondContact O-N 3.12Å; A124-R127 PolarHBondContact O-N 3.36Å; R127-K129 VanDerWaalsContact C-N 3.34Å; R127-K129 PolarHBondContact O-N 3.05Å; R127-A130 PolarHBondContact O-N 3.25Å; R127-A130 VanDerWaalsContact O-N 3.15Å; R127-V131 WeakPolarHBondContact O-CG2 3.4Å; R127-V131 PolarHBondContact O-N 3.13Å
128	S	46.3	Very low	40.3	Very low	76 Å²	76	92 Å²	92	53%	0.531	57%	0.57	S	S	.	*	H	α-helix	trans	-66.4	-34.7	178.7	62.8	0	0	0	0	112.5	A124 A125 A132	A124-S128 PolarHBondContact O-N 3.04Å; A124-S128 PolarHBondContact O-OG 2.93Å; A125-S128 PolarHBondContact O-OG 3.37Å; S128-A132 PolarHBondContact O-N 3.41Å
129	K	42.5	Very low	40.5	Very low	165 Å²	165	94.3 Å²	94.3	72%	0.717	59%	0.587	S	S	*	*	H	α-helix	trans	-69.5	-32.1	170.6	-91.7	-176.6	174.9	179.3	0	114	A125 R127 A133	A125-K129 PolarHBondContact O-N 2.94Å; R127-K129 VanDerWaalsContact C-N 3.34Å; R127-K129 PolarHBondContact O-N 3.05Å; K129-A133 WeakPolarHBondContact O-CB 3.37Å; K129-A133 PolarHBondContact O-N 3.02Å
130	A	43.4	Very low	40	Very low	47 Å²	47	97.2 Å²	97.2	39%	0.388	60%	0.604	S	S	.	*	H	α-helix	trans	-71.9	-35.9	176.8	0	0	0	0	0	112.3	A126 R127 A133 S134	A126-A130 PolarHBondContact O-N 3.3Å; A126-A130 VanDerWaalsContact O-N 3.12Å; R127-A130 PolarHBondContact O-N 3.25Å; R127-A130 VanDerWaalsContact O-N 3.15Å; A130-A133 PolarHBondContact O-N 2.78Å; A130-S134 PolarHBondContact O-N 2.86Å
131	V	45.5	Very low	39.8	Very low	117 Å²	117	100.9 Å²	100.9	71%	0.709	63%	0.627	S	S	*	*	H	α-helix	trans	-69.7	-34.4	175.1	177	0	0	0	0	111.2	R127	R127-V131 WeakPolarHBondContact O-CG2 3.4Å; R127-V131 PolarHBondContact O-N 3.13Å
132	A	42.5	Very low	39.3	Very low	90 Å²	90	109.7 Å²	109.7	74%	0.744	65%	0.647	S	S	*	*	H	α-helix	trans	-74	-22.8	175.8	0	0	0	0	0	114.3	S128	S128-A132 PolarHBondContact O-N 3.41Å
133	A	43.9	Very low	38.8	Very low	89 Å²	89	108.6 Å²	108.6	74%	0.736	65%	0.653	S	S	*	*	H	α-helix	trans	-93.4	-15.4	-179.7	0	0	0	0	0	113.9	K129 A130	K129-A133 WeakPolarHBondContact O-CB 3.37Å; K129-A133 PolarHBondContact O-N 3.02Å; A130-A133 PolarHBondContact O-N 2.78Å
134	S	39.7	Very low	38.4	Very low	72 Å²	72	115.8 Å²	115.8	50%	0.503	68%	0.68	S	S	.	*			trans	-101.9	80.6	178.8	173.2	0	0	0	0	110.5	A130 V136	A130-S134 PolarHBondContact O-N 2.86Å; S134-V136 PolarHBondContact O-N 3.23Å
135	G	36	Very low	37.8	Very low	83 Å²	83	117.6 Å²	117.6	86%	0.856	69%	0.689	S	S	*	*			trans	-67.8	31.4	171	0	0	0	0	0	114.9
136	V	36.8	Very low	37.4	Very low	89 Å²	89	121.3 Å²	121.3	54%	0.539	71%	0.71	S	S	.	*			trans	-96.6	104.2	-177.2	-174.7	0	0	0	0	109.5	S134 N138	S134-V136 PolarHBondContact O-N 3.23Å; V136-N138 HydrophobicContact CG1-CB 4.14Å; V136-N138 VanDerWaalsContact CG1-CG 3.43Å; V136-N138 WeakPolarHBondContact CG1-ND2 3.38Å; V136-N138 PolarHBondContact O-N 2.96Å; V136-N138 VanDerWaalsContact O-N 3.16Å
137	R	29.9	Very low	37.1	Very low	243 Å²	243	125.3 Å²	125.3	92%	0.917	73%	0.725	S	S	*	*			trans	-60.7	109.2	157.2	-62.8	178.1	-158	-175.9	4.3	106.7
138	N	33	Very low	36.8	Very low	139 Å²	139	125 Å²	125	74%	0.743	73%	0.734	S	S	*	*			trans	-128.3	128.4	169.8	-93.4	-14.9	0	0	0	112	V136	V136-N138 HydrophobicContact CG1-CB 4.14Å; V136-N138 VanDerWaalsContact CG1-CG 3.43Å; V136-N138 WeakPolarHBondContact CG1-ND2 3.38Å; V136-N138 PolarHBondContact O-N 2.96Å; V136-N138 VanDerWaalsContact O-N 3.16Å
139	T	37.1	Very low	36.3	Very low	124 Å²	124	126.8 Å²	126.8	76%	0.761	74%	0.744	S	S	*	*			trans	-62.6	151.2	177.1	44.7	0	0	0	0	111.8
140	S	28.8	Very low	35.7	Very low	116 Å²	116	123.7 Å²	123.7	81%	0.811	74%	0.743	S	S	*	*			trans	-48.6	127	172.1	176.6	0	0	0	0	112.9
141	P	36.3	Very low	35.4	Very low	126 Å²	126	126.8 Å²	126.8	82%	0.818	75%	0.753	S	S	*	*			trans	-91.8	115.4	166.6	0.7	19	0	0	0	110.6
142	R	31.5	Very low	35	Very low	245 Å²	245	129.4 Å²	129.4	93%	0.925	76%	0.755	S	S	*	*			trans	-72.3	130.2	168.5	-179.7	-179.4	-176.4	-179.3	1.1	111
143	G	28.9	Very low	34.6	Very low	64 Å²	64	129.4 Å²	129.4	66%	0.66	76%	0.755	S	S	*	*			trans	87.2	125.9	135.9	0	0	0	0	0	119.3
144	K	34.4	Very low	34.4	Very low	206 Å²	206	129.6 Å²	129.6	90%	0.896	75%	0.751	S	S	*	*				-178.3	99	128.3	-93.7	163	-172.6	-173.6	0	106.6
145	S	31.8	Very low	34.4	Very low	96 Å²	96	134.7 Å²	134.7	67%	0.671	76%	0.764	S	S	*	*				72.3	110.4	84.7	-166.9	0	0	0	0	112.3
146	C	32.9	Very low	34.3	Very low	132 Å²	132	136.8 Å²	136.8	89%	0.892	76%	0.755	S	S	*	*			trans	-155.3	135	138	-82.1	0	0	0	0	107.6
147	D	33.5	Very low	34.3	Very low	138 Å²	138	138.2 Å²	138.2	74%	0.738	76%	0.759	S	S	*	*			trans	-79.8	166.4	-158.5	-52.6	-82.7	0	0	0	114.8
148	I	37.6	Very low	34.5	Very low	169 Å²	169	134.8 Å²	134.8	87%	0.867	75%	0.751	S	S	*	*			trans	164.7	146.2	131	-82.3	159.8	0	0	0	109.8
149	P	35.6	Very low	34.5	Very low	112 Å²	112	132.5 Å²	132.5	73%	0.727	75%	0.746	S	S	*	*				-115.8	170.9	-122.6	42.4	-37.6	0	0	0	117.1
150	S	31.2	Very low	34.6	Very low	100 Å²	100	136.2 Å²	136.2	70%	0.699	75%	0.746	S	S	*	*			trans	49.2	115.3	140.9	-153.9	0	0	0	0	119.9
151	D	36.2	Very low	34.9	Very low	112 Å²	112	135.2 Å²	135.2	60%	0.599	74%	0.735	S	S	*	*				-177.1	138.8	101.9	-108.4	1.8	0	0	0	114.1
152	K	36.8	Very low	34.9	Very low	173 Å²	173	138.2 Å²	138.2	75%	0.752	73%	0.73	S	S	*	*			trans	69.7	107.3	146.3	-66.7	166.9	-179.1	132.9	0	118.1
153	A	35.2	Very low	35.3	Very low	90 Å²	90	132.8 Å²	132.8	74%	0.744	72%	0.715	S	S	*	*				82.8	127.1	92.2	0	0	0	0	0	110.5
154	S	38.6	Very low	35.7	Very low	92 Å²	92	133.6 Å²	133.6	64%	0.643	71%	0.71	S	S	*	*			cis	-169.4	154.9	28.8	-72.1	0	0	0	0	108.4
155	K	39.9	Very low	35.9	Very low	180 Å²	180	134.3 Å²	134.3	78%	0.783	71%	0.707	S	S	*	*			trans	51.9	132.9	130.4	-65.4	175	-173.7	172.7	0	116.9
156	N	34.9	Very low	36.2	Very low	126 Å²	126	135 Å²	135	67%	0.674	71%	0.712	S	S	*	*			cis	163	141.9	19.9	-114.8	-6.5	0	0	0	102.7
157	I	35.7	Very low	36.6	Very low	120 Å²	120	133.2 Å²	133.2	62%	0.615	71%	0.707	S	S	*	*				121.7	150.6	100.4	-95.4	171.7	0	0	0	111.6
158	F	35.1	Very low	37.3	Very low	171 Å²	171	132.4 Å²	132.4	75%	0.75	71%	0.709	S	S	*	*			trans	75.8	89.3	170.1	-73.1	-61.7	0	0	0	115.3
159	S	32.7	Very low	37.4	Very low	91 Å²	91	131 Å²	131	64%	0.636	70%	0.703	S	S	*	*				56.2	116.3	50.4	97.7	0	0	0	0	112.7
160	R	38.3	Very low	37.7	Very low	202 Å²	202	133.9 Å²	133.9	76%	0.762	70%	0.704	S	S	*	*				175.1	112.2	117.5	-106.7	-167.7	167.1	169.9	-3	109.2
161	T	35.1	Very low	38.1	Very low	95 Å²	95	136.1 Å²	136.1	58%	0.583	71%	0.708	S	S	*	*				76.5	138.9	98.6	57.2	0	0	0	0	111.8
162	R	36.1	Very low	38.4	Very low	188 Å²	188	134.4 Å²	134.4	71%	0.709	71%	0.705	S	S	*	*			cis	169.9	156.6	29	-111.8	164.2	175.8	-162.8	5.4	100.9
163	H	41.3	Very low	38.6	Very low	132 Å²	132	132.2 Å²	132.2	61%	0.611	70%	0.702	S	S	*	*			cis	174.4	146.2	35	-119	-35.1	0	0	0	105.9
164	S	36.9	Very low	38.6	Very low	81 Å²	81	137.7 Å²	137.7	57%	0.566	70%	0.703	S	S	*	*				69.4	136.7	129.7	-62.7	0	0	0	0	118.1
165	R	38.6	Very low	38.6	Very low	221 Å²	221	141.5 Å²	141.5	83%	0.834	71%	0.711	S	S	*	*			cis	-176.8	150.8	20.5	-122.7	167.7	-164.7	-161.9	0.3	108.7
166	S	38.9	Very low	38.5	Very low	111 Å²	111	137.2 Å²	137.2	78%	0.776	70%	0.701	S	S	*	*			trans	64.1	136.4	141	55.1	0	0	0	0	119.7
167	A	40.1	Very low	38.4	Very low	93 Å²	93	135.8 Å²	135.8	77%	0.769	70%	0.701	S	S	*	*			cis	-167.1	158.4	-0.4	0	0	0	0	0	109.3
168	P	47.4	Very low	38.3	Very low	121 Å²	121	135.5 Å²	135.5	79%	0.786	71%	0.705	S	S	*	*			trans	-110.9	164.2	176.5	39.6	-29.4	0	0	0	113.2
169	N	40.8	Very low	38.3	Very low	140 Å²	140	134.8 Å²	134.8	75%	0.749	71%	0.709	S	S	*	*			trans	-169.3	114.7	150.3	-114.2	-9.4	0	0	0	108.1
170	K	41.5	Very low	38.4	Very low	173 Å²	173	138 Å²	138	75%	0.752	71%	0.714	S	S	*	*				79.1	137.4	75.7	-81.1	-165.4	-173.4	171.9	0	114.1
171	N	41	Very low	38.4	Very low	146 Å²	146	134.3 Å²	134.3	78%	0.781	72%	0.716	S	S	*	*			trans	99.5	138.2	151.7	-71.2	-7	0	0	0	116.4
172	S	42.4	Very low	38.3	Very low	76 Å²	76	135.1 Å²	135.1	53%	0.531	72%	0.717	S	S	.	*			cis	171	150.3	-15.3	52.4	0	0	0	0	105.8
173	N	39.2	Very low	38.2	Very low	128 Å²	128	136.2 Å²	136.2	68%	0.684	73%	0.727	S	S	*	*			trans	70	148.4	145.3	-65.6	-21.9	0	0	0	116.5
174	R	36	Very low	37.8	Very low	205 Å²	205	137.1 Å²	137.1	77%	0.774	73%	0.731	S	S	*	*			cis	-172.2	135.7	5.1	-112	167.6	-174.6	-173.4	-2.6	103.6
175	Q	37.7	Very low	37.7	Very low	172 Å²	172	140.4 Å²	140.4	80%	0.804	74%	0.738	S	S	*	*				57.8	164.7	103	-94.6	-155.2	-27.4	0	0	116.1
176	P	39.3	Very low	37.4	Very low	90 Å²	90	137.1 Å²	137.1	58%	0.584	73%	0.729	S	S	*	*			cis	-143.8	174.8	-31.5	36.8	-16.8	0	0	0	114.7
177	S	31.4	Very low	37.2	Very low	95 Å²	95	139.4 Å²	139.4	66%	0.664	73%	0.727	S	S	*	*			trans	60.8	129.7	133.6	73.9	0	0	0	0	124
178	V	35.2	Very low	36.6	Very low	114 Å²	114	141.7 Å²	141.7	69%	0.691	72%	0.722	S	S	*	*				89.2	110.6	123.2	168.6	0	0	0	0	118.7
179	N	35.1	Very low	35.8	Very low	157 Å²	157	147.7 Å²	147.7	84%	0.84	73%	0.729	S	S	*	*				176.8	135	109.5	-91.9	-43.6	0	0	0	113.6
180	Q	33	Very low	35.1	Very low	159 Å²	159	147.9 Å²	147.9	74%	0.743	73%	0.729	S	S	*	*			trans	-83.7	175.2	172.2	-138.7	177.7	6.1	0	0	109.7
181	P	38.3	Very low	34.6	Very low	124 Å²	124	143.3 Å²	143.3	81%	0.805	73%	0.731	S	S	*	*				-152.8	175.9	77.6	35.9	-12.6	0	0	0	117.4
182	D	33.1	Very low	34	Very low	111 Å²	111	145.5 Å²	145.5	59%	0.594	74%	0.737	S	S	*	*			trans	-55.8	161.4	-170.8	-64	-64.6	0	0	0	120
183	F	34.1	Very low	33.5	Very low	211 Å²	211	151 Å²	151	93%	0.925	75%	0.754	S	S	*	*				-157.1	130.5	118.7	-114.8	-83.5	0	0	0	112.9
184	H	34.5	Very low	33	Very low	152 Å²	152	153.5 Å²	153.5	70%	0.704	76%	0.759	S	S	*	*			trans	-51.3	161.9	177.1	-84.1	-92.5	0	0	0	115
185	Q	34.6	Very low	32.8	Very low	150 Å²	150	150 Å²	150	70%	0.701	76%	0.76	S	S	*	*				177.6	131.9	67.2	-168.8	141.5	50.5	0	0	114.9
186	K	31.4	Very low	32.5	Very low	152 Å²	152	149.7 Å²	149.7	66%	0.661	76%	0.756	S	S	*	*			trans	53.3	148.8	138.6	-77.8	170.8	168.3	177.3	0	121
187	H	35.3	Very low	31.9	Very low	159 Å²	159	153.4 Å²	153.4	74%	0.736	76%	0.763	S	S	*	*			cis	-164.5	163.1	16.1	-116.4	-46.7	0	0	0	111.2
188	H	28.2	Very low	31.9	Very low	141 Å²	141	157 Å²	157	65%	0.653	77%	0.769	S	S	*	*			trans	-67.3	158.5	-176	-162.4	-98	0	0	0	115.3
189	W	29.1	Very low	31.6	Very low	247 Å²	247	156.5 Å²	156.5	94%	0.936	77%	0.767	S	S	*	*			trans	-170.3	128.1	136	-97.3	104.3	0	0	0	112.7
190	L	27.4	Very low	31.5	Very low	144 Å²	144	155.8 Å²	155.8	75%	0.754	76%	0.763	S	S	*	*			trans	-116.8	139.1	168.5	-101.3	156.3	0	0	0	106.6
191	G	30.4	Very low	31.4	Very low	76 Å²	76	153.6 Å²	153.6	78%	0.784	77%	0.765	S	S	*	*			trans	161.2	112.5	168.8	0	0	0	0	0	114.9
192	E	27.7	Very low	31.2	Very low	193 Å²	193	153.2 Å²	153.2	90%	0.902	76%	0.762	S	S	*	*			trans	-58.1	154.5	172.7	-64.5	165.8	103	0	0	114
193	Q	33.2	Very low	31.1	Very low	191 Å²	191	155.6 Å²	155.6	89%	0.893	77%	0.773	S	S	*	*				177.5	156.1	123.3	-85.8	-107.1	18.5	0	0	112.2
194	K	28.4	Very low	30.7	Very low	181 Å²	181	152.4 Å²	152.4	79%	0.787	77%	0.766	S	S	*	*			trans	-84.9	174.1	-159.4	-101.4	167.2	164.5	166.5	0	115.1
195	T	32.1	Very low	30.5	Very low	131 Å²	131	155 Å²	155	80%	0.804	78%	0.779	S	S	*	*			trans	98.6	141.9	150.5	72.5	0	0	0	0	116.3
196	K	30.6	Very low	30.1	Very low	165 Å²	165	151.2 Å²	151.2	72%	0.717	78%	0.78	S	S	*	*			cis	-176.8	139.9	-24.3	-131.8	177.2	172	-170.8	0	106.4
197	F	27.4	Very low	30.1	Very low	168 Å²	168	151.9 Å²	151.9	74%	0.737	79%	0.789	S	S	*	*			trans	64.4	144.2	161.3	-56.1	-66.5	0	0	0	117.1
198	H	31.3	Very low	29.7	Very low	171 Å²	171	149.6 Å²	149.6	79%	0.792	79%	0.791	S	S	*	*			cis	-157.4	158.9	36.2	-137.9	-79.8	0	0	0	111.1
199	T	29.1	Very low	29.7	Very low	103 Å²	103	151 Å²	151	63%	0.632	80%	0.798	S	S	*	*			trans	-52.1	143	178.8	3	0	0	0	0	117.4
200	D	32.3	Very low	29.6	Very low	143 Å²	143	148 Å²	148	77%	0.765	80%	0.796	S	S	*	*				158.6	105.4	117.4	-80.7	-30.5	0	0	0	114.8
201	S	31	Very low	29.7	Very low	113 Å²	113	150 Å²	150	79%	0.79	80%	0.799	S	S	*	*			trans	48.8	164.3	138.5	-45.3	0	0	0	0	122.8
202	P	34.8	Very low	29.7	Very low	115 Å²	115	151.1 Å²	151.1	75%	0.747	79%	0.792	S	S	*	*				-118.1	166	-99.9	27.6	-5.7	0	0	0	113.5
203	I	31.3	Very low	29.7	Very low	161 Å²	161	146.8 Å²	146.8	83%	0.826	78%	0.783	S	S	*	*			trans	172.4	123.5	146.4	-87.1	148.9	0	0	0	110
204	N	25.5	Very low	29.6	Very low	145 Å²	145	148.1 Å²	148.1	78%	0.775	78%	0.78	S	S	*	*			trans	27.8	113.7	154.5	-64.6	-29.4	0	0	0	121.3
205	Q	28.7	Very low	29.6	Very low	206 Å²	206	149.9 Å²	149.9	96%	0.963	78%	0.782	S	S	*	*				173.8	124.3	126	-95.7	170	17.5	0	0	108.9
206	G	28	Very low	29.7	Very low	71 Å²	71	148.7 Å²	148.7	73%	0.732	77%	0.77	S	S	*	*			trans	-177.2	86.1	-176.9	0	0	0	0	0	114.5
207	I	30.5	Very low	29.8	Very low	166 Å²	166	145.4 Å²	145.4	85%	0.851	77%	0.768	S	S	*	*			trans	47.7	112.4	135.2	-51.8	173.6	0	0	0	117.4	E209	I207-E209 PolarHBondContact O-N 3.43Å
208	S	26.1	Very low	30.3	Very low	111 Å²	111	139.9 Å²	139.9	78%	0.776	75%	0.75	S	S	*	*			trans	-42.3	113.8	172	146.8	0	0	0	0	114.5
209	E	28.7	Very low	30.8	Very low	171 Å²	171	137.9 Å²	137.9	80%	0.799	75%	0.745	S	S	*	*			trans	-115	112.2	172.3	-156.2	-179.6	-150.2	0	0	109.6	I207 K211	I207-E209 PolarHBondContact O-N 3.43Å; E209-K211 PolarHBondContact O-N 3.06Å
210	M	27.8	Very low	31.4	Very low	182 Å²	182	141.1 Å²	141.1	90%	0.897	75%	0.746	S	S	*	*			trans	-70.2	115.4	178.5	-73.8	-155.9	150.5	0	0	111	P212	M210-P212 WeakPolarHBondContact O-CD 3.42Å
211	K	28.9	Very low	31.7	Very low	187 Å²	187	136.8 Å²	136.8	81%	0.813	72%	0.722	S	S	*	*			trans	-99.6	115.2	178	-111.5	169.3	-179.4	157.6	0	111.3	E209	E209-K211 PolarHBondContact O-N 3.06Å
212	P	30.6	Very low	32.1	Very low	99 Å²	99	138.1 Å²	138.1	64%	0.643	71%	0.71	S	S	*	*			trans	-88.4	104.4	163.3	31.4	-26.3	0	0	0	109.4	M210 W214	M210-P212 WeakPolarHBondContact O-CD 3.42Å; P212-W214 PolarHBondContact O-N 3.33Å
213	S	27.8	Very low	32.4	Very low	102 Å²	102	140.8 Å²	140.8	71%	0.713	71%	0.705	S	S	*	*			trans	-87.5	93.1	178.8	72.3	0	0	0	0	112.2	R215	S213-R215 PolarHBondContact O-N 2.85Å
214	W	29.7	Very low	32.8	Very low	219 Å²	219	135.3 Å²	135.3	83%	0.83	68%	0.681	S	S	*	*			trans	-83.3	92.7	158.2	-71.2	94.3	0	0	0	108.8	P212 L216	P212-W214 PolarHBondContact O-N 3.33Å; W214-L216 PolarHBondContact O-N 2.98Å
215	R	30.5	Very low	33.4	Very low	219 Å²	219	132 Å²	132	83%	0.826	66%	0.659	S	S	*	*			trans	-80	96.5	167.6	-71.8	-162.9	179.2	-167.8	2.3	108.9	S213 S217	S213-R215 PolarHBondContact O-N 2.85Å; R215-S217 PolarHBondContact O-N 3.24Å
216	L	32.4	Very low	34.2	Very low	106 Å²	106	123.7 Å²	123.7	56%	0.555	62%	0.623	S	S	*	*			trans	-68.5	51.9	166.1	-88	156.8	0	0	0	111.5	L30 W214 S218 L221	L30-L216 HydrophobicContact CD1-CD1 4.12Å; W214-L216 PolarHBondContact O-N 2.98Å; L216-S218 VanDerWaalsContact C-N 3.26Å; L216-S218 PolarHBondContact O-N 2.83Å; L216-L221 HydrophobicContact CD2-CD1 4.26Å
217	S	32.4	Very low	35	Very low	96 Å²	96	125.5 Å²	125.5	67%	0.671	62%	0.615	S	S	*	*			trans	-92.7	21	175.9	59.9	0	0	0	0	112.8	R215 L219	R215-S217 PolarHBondContact O-N 3.24Å; S217-L219 PolarHBondContact O-N 2.91Å
218	S	38.6	Very low	35.5	Very low	52 Å²	52	121 Å²	121	36%	0.364	60%	0.603	S	S	.	*			trans	-68.4	99.6	-175.2	162.3	0	0	0	0	111	L216 W220 L221	L216-S218 VanDerWaalsContact C-N 3.26Å; L216-S218 PolarHBondContact O-N 2.83Å; S218-W220 PolarHBondContact O-N 2.98Å; S218-W220 VanDerWaalsContact OG-CB 3.3Å; S218-W220 WeakPolarHBondContact OG-CB 3.33Å; S218-W220 PolarHBondContact OG-N 3.25Å; S218-L221 PolarHBondContact O-N 3.46Å; S218-L221 VanDerWaalsContact O-N 3.12Å; S218-L221 PolarHBondContact OG-N 3.13Å
219	L	42.6	Very low	36.3	Very low	128 Å²	128	121.2 Å²	121.2	67%	0.67	59%	0.586	S	S	*	*	H	α-helix	trans	-49	-22.4	162.5	-83.5	160.4	0	0	0	112.1	S217 R223	S217-L219 PolarHBondContact O-N 2.91Å; L219-R223 WeakPolarHBondContact O-CB 3.3Å; L219-R223 PolarHBondContact O-N 3.19Å
220	W	40.8	Very low	36.8	Very low	172 Å²	172	120.5 Å²	120.5	65%	0.652	58%	0.576	S	S	*	*	H	α-helix	trans	-67.7	-42.8	177.4	-176.6	88.6	0	0	0	112.5	S218 R222 R223 S224	S218-W220 PolarHBondContact O-N 2.98Å; S218-W220 VanDerWaalsContact OG-CB 3.3Å; S218-W220 WeakPolarHBondContact OG-CB 3.33Å; S218-W220 PolarHBondContact OG-N 3.25Å; W220-R222 PolarHBondContact O-N 3.27Å; W220-R223 PolarHBondContact O-N 3.24Å; W220-S224 WeakPolarHBondContact O-CB 2.89Å; W220-S224 PolarHBondContact O-N 2.84Å; W220-S224 PolarHBondContact O-OG 2.78Å
221	L	38.5	Very low	37.2	Very low	52 Å²	52	122 Å²	122	27%	0.272	57%	0.572	S	S	.	*	H	α-helix	trans	-64.1	-41.8	176.8	-104.7	159	0	0	0	112.1	L23 L216 S218 F225	L23-L221 HydrophobicContact CD2-CB 4.34Å; L23-L221 HydrophobicContact CD2-CD2 4.38Å; L216-L221 HydrophobicContact CD2-CD1 4.26Å; S218-L221 PolarHBondContact O-N 3.46Å; S218-L221 VanDerWaalsContact O-N 3.12Å; S218-L221 PolarHBondContact OG-N 3.13Å; L221-F225 PolarHBondContact O-N 2.88Å; L221-F225 VanDerWaalsContact O-N 3.15Å
222	R	40	Very low	37.3	Very low	141 Å²	141	120.7 Å²	120.7	53%	0.532	56%	0.562	S	S	.	*	H	α-helix	trans	-61.3	-46.4	172.9	-96.4	-174.4	170.9	174.6	-3.6	111.8	L23 W220 T226	L23-R222 HydrophobicContact CD1-CB 4.37Å; L23-R222 HydrophobicContact CD1-CG 3.42Å; L23-R222 VanDerWaalsContact CD1-CG 3.42Å; W220-R222 PolarHBondContact O-N 3.27Å; R222-T226 PolarHBondContact O-N 3.34Å; R222-T226 PolarHBondContact O-OG1 3.43Å
223	R	40.8	Very low	37.3	Very low	171 Å²	171	119 Å²	119	65%	0.645	55%	0.552	S	S	*	*	H	α-helix	trans	-65.9	-43.3	179.1	-105.8	175.6	166.7	144.8	-5.1	112.4	L219 W220 F225 T226 I227	L219-R223 WeakPolarHBondContact O-CB 3.3Å; L219-R223 PolarHBondContact O-N 3.19Å; W220-R223 PolarHBondContact O-N 3.24Å; R223-F225 VanDerWaalsContact C-N 3.33Å; R223-F225 PolarHBondContact O-N 2.81Å; R223-T226 WeakPolarHBondContact CA-OG1 3.36Å; R223-T226 PolarHBondContact O-N 3.05Å; R223-T226 PolarHBondContact O-OG1 3.32Å; R223-I227 HydrophobicContact CB-CD1 4.29Å; R223-I227 VanDerWaalsContact O-CB 3.32Å; R223-I227 WeakPolarHBondContact O-CB 3.29Å; R223-I227 WeakPolarHBondContact O-CD1 3.28Å; R223-I227 WeakPolarHBondContact O-CG1 3.23Å; R223-I227 PolarHBondContact O-N 2.98Å
224	S	39.4	Very low	37.5	Very low	45 Å²	45	118.2 Å²	118.2	32%	0.315	55%	0.545	S	S	.	.	H	α-helix	trans	-62.6	-40.8	179	-63.6	0	0	0	0	111.6	W220 A228	W220-S224 WeakPolarHBondContact O-CB 2.89Å; W220-S224 PolarHBondContact O-N 2.84Å; W220-S224 PolarHBondContact O-OG 2.78Å; S224-A228 WeakPolarHBondContact O-CB 3.39Å; S224-A228 PolarHBondContact O-N 3.35Å
225	F	38.7	Very low	37.6	Very low	75 Å²	75	115.9 Å²	115.9	33%	0.329	55%	0.548	S	S	.	.	H	α-helix	trans	-67.3	-40.2	174.1	-109.2	-88.9	0	0	0	112.8	M53 L221 R223 W229	M53-F225 HydrophobicContact CE-CE1 4.5Å; L221-F225 PolarHBondContact O-N 2.88Å; L221-F225 VanDerWaalsContact O-N 3.15Å; R223-F225 VanDerWaalsContact C-N 3.33Å; R223-F225 PolarHBondContact O-N 2.81Å; F225-W229 PolarHBondContact O-N 3.26Å
226	T	45.9	Very low	37.7	Very low	33 Å²	33	110.8 Å²	110.8	20%	0.202	55%	0.546	C	S	.	.	H	α-helix	trans	-71.1	-36.3	176.6	20	0	0	0	0	112.7	V16 R222 R223 W229 R230	V16-T226 HydrophobicContact CG2-CG2 3.98Å; R222-T226 PolarHBondContact O-N 3.34Å; R222-T226 PolarHBondContact O-OG1 3.43Å; R223-T226 WeakPolarHBondContact CA-OG1 3.36Å; R223-T226 PolarHBondContact O-N 3.05Å; R223-T226 PolarHBondContact O-OG1 3.32Å; T226-W229 PolarHBondContact O-N 2.86Å; T226-R230 WeakPolarHBondContact O-CB 3.33Å; T226-R230 PolarHBondContact O-N 2.89Å
227	I	43.3	Very low	37.7	Very low	108 Å²	108	112 Å²	112	55%	0.554	56%	0.558	S	S	*	*	H	α-helix	trans	-68.2	-38.6	177.1	-68.5	163.6	0	0	0	110.7	R223 W229	R223-I227 HydrophobicContact CB-CD1 4.29Å; R223-I227 VanDerWaalsContact O-CB 3.32Å; R223-I227 WeakPolarHBondContact O-CB 3.29Å; R223-I227 WeakPolarHBondContact O-CD1 3.28Å; R223-I227 WeakPolarHBondContact O-CG1 3.23Å; R223-I227 PolarHBondContact O-N 2.98Å; I227-W229 VanDerWaalsContact C-N 3.27Å; I227-W229 PolarHBondContact O-N 3.35Å
228	A	42.7	Very low	37.7	Very low	72 Å²	72	114.8 Å²	114.8	60%	0.595	57%	0.565	S	S	*	*	H	α-helix	trans	-63.4	-32.5	174.3	0	0	0	0	0	112.6	S224	S224-A228 WeakPolarHBondContact O-CB 3.39Å; S224-A228 PolarHBondContact O-N 3.35Å
229	W	41.8	Very low	37.3	Very low	116 Å²	116	118.1 Å²	118.1	44%	0.439	59%	0.588	S	S	.	*	H	α-helix	trans	-91.5	-23.4	179.7	-100	77.6	0	0	0	115.2	L18 F57 F225 T226 I227	L18-W229 HydrophobicContact CD1-CH2 4.17Å; F57-W229 HydrophobicContact CD2-CH2 4.19Å; F57-W229 HydrophobicContact CE2-CH2 4.27Å; F57-W229 HydrophobicContact CE2-CZ3 4.44Å; F225-W229 PolarHBondContact O-N 3.26Å; T226-W229 PolarHBondContact O-N 2.86Å; I227-W229 VanDerWaalsContact C-N 3.27Å; I227-W229 PolarHBondContact O-N 3.35Å
230	R	39.5	Very low	36.9	Very low	155 Å²	155	117.8 Å²	117.8	59%	0.585	60%	0.596	S	S	*	*			trans	-91.7	9.6	-174.1	-154.5	-175.6	-93.6	-158.6	-6.7	114.1	T226 R232	T226-R230 WeakPolarHBondContact O-CB 3.33Å; T226-R230 PolarHBondContact O-N 2.89Å; R230-R232 PolarHBondContact O-N 3.46Å
231	R	35.9	Very low	36.4	Very low	214 Å²	214	113 Å²	113	81%	0.808	60%	0.601	S	S	*	*			trans	-81.6	114.9	172.4	-89.8	-167.4	174.6	-157.1	0.4	110.8
232	R	32.1	Very low	35.9	Very low	160 Å²	160	122.9 Å²	122.9	60%	0.604	63%	0.634	S	S	*	*			trans	100.5	90	174.5	-57.7	-173.1	-168.7	-127.7	4.2	114.9	R230	R230-R232 PolarHBondContact O-N 3.46Å
233	S	30	Very low	35.5	Very low	62 Å²	62	125.7 Å²	125.7	43%	0.434	65%	0.651	S	S	.	*			trans	-123.4	128	155.2	-61.2	0	0	0	0	108.2	S8	S8-S233 PolarHBondContact OG-OG 3.39Å
234	P	32.5	Very low	34.8	Very low	86 Å²	86	124 Å²	124	56%	0.558	66%	0.664	S	S	*	*	P	Polyproline II helix	trans	-80.8	136.1	172.5	-2.7	21	0	0	0	110.4	A255	P234-A255 WeakPolarHBondContact CB-O 3.22Å
235	L	31.2	Very low	34.3	Very low	170 Å²	170	125.7 Å²	125.7	89%	0.89	69%	0.688	S	S	*	*	P	Polyproline II helix	trans	-91.4	125.6	163.3	-85.6	159.5	0	0	0	108.6
236	S	32	Very low	33.7	Very low	113 Å²	113	125.9 Å²	125.9	79%	0.79	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-73.3	127.9	173.6	-176.7	0	0	0	0	110.3
237	V	34	Very low	33	Very low	132 Å²	132	130 Å²	130	80%	0.8	74%	0.739	S	S	*	*			trans	-133.9	124.7	164.4	-178.5	0	0	0	0	108.1
238	D	32	Very low	32.2	Very low	153 Å²	153	135.7 Å²	135.7	82%	0.818	76%	0.755	S	S	*	*			trans	-58.6	143.3	-177.5	-78.6	-45.8	0	0	0	113.7
239	S	29.4	Very low	31.6	Very low	123 Å²	123	138.5 Å²	138.5	86%	0.86	77%	0.767	S	S	*	*			trans	-91.5	128.3	177.4	-68.9	0	0	0	0	111.8
240	S	34.4	Very low	31	Very low	120 Å²	120	138.6 Å²	138.6	84%	0.839	77%	0.767	S	S	*	*			trans	-148.6	108.2	151.9	67.1	0	0	0	0	112
241	G	30.2	Very low	30.5	Very low	73 Å²	73	134.8 Å²	134.8	75%	0.753	76%	0.764	S	S	*	*			trans	76.4	98	141.2	0	0	0	0	0	119.8
242	R	29	Very low	30	Very low	258 Å²	258	131.3 Å²	131.3	97%	0.974	77%	0.77	S	S	*	*				169.8	139.7	104.5	-95.5	-175.2	-170.9	-151.1	2.3	111.1
243	K	29.8	Very low	29.7	Very low	200 Å²	200	126.7 Å²	126.7	87%	0.87	77%	0.771	S	S	*	*			trans	-70.3	138.6	-177.9	-65.2	174.4	173.6	179.9	0	112.2
244	C	27.2	Very low	29.7	Very low	136 Å²	136	126.7 Å²	126.7	92%	0.919	77%	0.769	S	S	*	*				160.2	128.7	120	-84.9	0	0	0	0	111.8
245	G	29.9	Very low	29.5	Very low	80 Å²	80	126.2 Å²	126.2	83%	0.825	77%	0.772	S	S	*	*			trans	109.5	78.3	170.1	0	0	0	0	0	114.5
246	G	25.6	Very low	29.4	Very low	80 Å²	80	121.9 Å²	121.9	83%	0.825	75%	0.752	S	S	*	*			trans	-79.3	140.8	-166.9	0	0	0	0	0	116.4
247	P	31.5	Very low	29.3	Very low	120 Å²	120	120.8 Å²	120.8	78%	0.779	75%	0.745	S	S	*	*			trans	-98.6	145.9	150.4	25.9	-11.4	0	0	0	110.8
248	Y	26.7	Very low	29.7	Very low	227 Å²	227	119.2 Å²	119.2	89%	0.89	73%	0.731	S	S	*	*			trans	-41.4	126.8	-179.9	-75.3	-93.1	0	0	0	114	R250	Y248-R250 PolarHBondContact O-N 3.08Å
249	P	28.3	Very low	30.4	Very low	130 Å²	130	118.6 Å²	118.6	84%	0.844	73%	0.728	S	S	*	*			trans	-82.7	108.4	173.6	31.7	-27.5	0	0	0	109.2
250	R	29.8	Very low	31.8	Very low	119 Å²	119	115.1 Å²	115.1	45%	0.449	71%	0.706	S	S	.	*			trans	-89.8	136.1	153.5	-71.9	-164.5	-160.4	169.9	14.2	108.8	Y248 R306 F321 E327	Y248-R250 PolarHBondContact O-N 3.08Å; R250-R306 VanDerWaalsContact NH2-CZ 3.28Å; R250-F321 VanDerWaalsContact NH1-CZ 3.26Å; R250-E327 PolarHBondContact NH1-O 3.26Å
251	S	28.7	Very low	33.7	Very low	74 Å²	74	116.2 Å²	116.2	52%	0.517	70%	0.698	S	S	.	*			trans	-15.5	131.8	-179.6	28.4	0	0	0	0	118	G253 E327	S251-G253 PolarHBondContact O-N 2.96Å; S251-E327 PolarHBondContact OG-OE2 3.17Å
252	P	26.9	Very low	36.2	Very low	142 Å²	142	116.9 Å²	116.9	92%	0.922	68%	0.684	S	S	*	*	S	Bend	trans	-74.4	112.1	-177.8	29.2	-31.1	0	0	0	110.9
253	G	25.8	Very low	38.8	Very low	62 Å²	62	108 Å²	108	64%	0.639	66%	0.658	S	S	*	*	S	Bend	trans	169	24.7	175	0	0	0	0	0	118.9	S251	S251-G253 PolarHBondContact O-N 2.96Å
254	T	29.2	Very low	41.6	Very low	62 Å²	62	100.5 Å²	100.5	38%	0.38	63%	0.625	S	S	.	*			trans	-164.9	80.5	157.2	-52.2	0	0	0	0	110.2	V256	T254-V256 PolarHBondContact O-N 2.86Å
255	A	28.6	Very low	44.7	Very low	76 Å²	76	98.4 Å²	98.4	63%	0.628	60%	0.601	S	S	*	*			trans	-86.4	87.3	174.8	0	0	0	0	0	111.1	P234	P234-A255 WeakPolarHBondContact CB-O 3.22Å
256	V	28.1	Very low	47.5	Very low	79 Å²	79	95.4 Å²	95.4	48%	0.479	57%	0.571	S	S	.	*			trans	-112.9	107.1	134	177.3	0	0	0	0	103.6	T254 I258	T254-V256 PolarHBondContact O-N 2.86Å; V256-I258 PolarHBondContact O-N 3.39Å
257	S	31	Very low	50.7	Low	90 Å²	90	96.2 Å²	96.2	63%	0.629	56%	0.555	S	S	*	*			trans	-60.5	90.7	167.9	172.1	0	0	0	0	107.4	N259	S257-N259 PolarHBondContact O-N 2.77Å; S257-N259 PolarHBondContact OG-OD1 3.49Å
258	I	42.2	Very low	53.5	Low	99 Å²	99	90.7 Å²	90.7	51%	0.508	52%	0.519	S	S	.	.			trans	-70.2	110.1	148.2	-45.2	172.9	0	0	0	101.1	V256 A260 T312	V256-I258 PolarHBondContact O-N 3.39Å; I258-A260 PolarHBondContact O-N 3.27Å; I258-T312 HydrophobicContact CG2-CG2 4.38Å
259	N	45.7	Very low	56.5	Low	141 Å²	141	82.7 Å²	82.7	75%	0.754	49%	0.49	S	S	*	.			trans	-61.2	85.3	169	-79.7	-28.1	0	0	0	106.3	S257	S257-N259 PolarHBondContact O-N 2.77Å; S257-N259 PolarHBondContact OG-OD1 3.49Å
260	A	59.3	Low	59.5	Low	50 Å²	50	76.7 Å²	76.7	41%	0.413	45%	0.451	S	S	.	.			trans	-92.9	104.3	176.3	0	0	0	0	0	104.9	I258 L262 C310 S311 T312	I258-A260 PolarHBondContact O-N 3.27Å; A260-L262 PolarHBondContact O-N 3.35Å; A260-C310 HydrophobicContact CB-CB 4.34Å; A260-S311 CarbonylContact C-O 3.52Å; A260-S311 VanDerWaalsContact CA-O 3.23Å; A260-S311 WeakPolarHBondContact CA-O 3.29Å; A260-T312 HydrophobicContact CB-CG2 4.17Å
261	E	74.8	Confident	62.2	Low	143 Å²	143	73 Å²	73	67%	0.668	44%	0.437	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.1	118.9	175.7	-178.6	-179.5	-179.5	0	0	107.6	V263 C310 S311	E261-V263 PolarHBondContact O-N 2.77Å; E261-C310 CarbonylContact O-C 3.57Å; E261-S311 PolarHBondContact N-O 2.83Å; E261-S311 WeakPolarHBondContact O-CB 2.99Å; E261-S311 PolarHBondContact O-N 3.32Å
262	L	82.2	Confident	64.7	Low	87 Å²	87	73.5 Å²	73.5	46%	0.455	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	117.4	175.7	-177.2	70.4	0	0	0	108.6	A260 E265 C308	A260-L262 PolarHBondContact O-N 3.35Å; L262-E265 HydrophobicContact CD1-CB 4.27Å; L262-E265 HydrophobicContact CD2-CB 4.03Å; L262-C308 HydrophobicContact CD1-CB 4.05Å
263	V	84.3	Confident	66.8	Low	71 Å²	71	67.5 Å²	67.5	43%	0.43	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	-44.1	178	177.7	0	0	0	0	110.8	E261 L309 L316	E261-V263 PolarHBondContact O-N 2.77Å; V263-L309 WeakPolarHBondContact CA-O 3.04Å; V263-L309 HydrophobicContact CB-CD2 4.22Å; V263-L309 HydrophobicContact CB-CG 4.29Å; V263-L309 WeakPolarHBondContact CB-O 3.32Å; V263-L309 HydrophobicContact CG1-CD2 4.05Å; V263-L309 PolarHBondContact N-O 2.88Å; V263-L316 HydrophobicContact CB-CD2 4.24Å; V263-L316 HydrophobicContact CG2-CD2 3.51Å
264	R	88.8	Confident	68.5	Low	43 Å²	43	69.2 Å²	69.2	16%	0.162	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	142.3	179.3	-162.4	166.6	-166.4	-117.7	-10.2	111.1	C308 L309 D376 E379 W380	R264-C308 CarbonylContact O-C 3.58Å; R264-L309 HydrophobicContact CB-CB 4.34Å; R264-L309 PolarHBondContact N-O 3.32Å; R264-L309 PolarHBondContact O-N 2.83Å; R264-D376 IonicContact CZ-OD1 3.18Å; R264-D376 PolarHBondContact NH1-O 3.27Å; R264-D376 VanDerWaalsContact NH1-O 3.14Å; R264-D376 IonicContact NH1-OD1 2.66Å; R264-D376 PolarHBondContact NH1-OD1 3.06Å; R264-D376 IonicContact NH2-OD1 2.61Å; R264-D376 PolarHBondContact NH2-OD1 2.94Å; R264-E379 IonicContact CZ-OE2 3.41Å; R264-E379 IonicContact NE-OE2 2.79Å; R264-E379 IonicContact NH2-OE2 3.86Å; R264-E379 PolarHBondContact NH2-OE2 3.39Å; R264-W380 HydrophobicContact CB-CH2 4.37Å; R264-W380 HydrophobicContact CB-CZ3 4.33Å; R264-W380 HydrophobicContact CG-CH2 4.2Å; R264-W380 HydrophobicContact CG-CZ2 4.43Å; R264-W380 HydrophobicContact CG-CZ3 4.4Å; R264-W380 VanDerWaalsContact NH1-CA 3.3Å; R264-W380 VanDerWaalsContact NH1-CD2 3.35Å
265	E	91.3	Very high	69.9	Low	91 Å²	91	71.7 Å²	71.7	43%	0.425	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	144	172.4	177.9	172.3	-160.1	0	0	109.2	L262 R306 L307	L262-E265 HydrophobicContact CD1-CB 4.27Å; L262-E265 HydrophobicContact CD2-CB 4.03Å; E265-R306 HydrophobicContact CG-CG 4.25Å; E265-R306 VanDerWaalsContact OE1-CD 3.24Å; E265-R306 WeakPolarHBondContact OE1-CD 3.41Å; E265-R306 IonicContact OE1-CZ 3.63Å; E265-R306 IonicContact OE1-NE 3.81Å; E265-R306 IonicContact OE1-NH1 2.69Å; E265-R306 PolarHBondContact OE1-NH1 2.76Å; E265-L307 VanDerWaalsContact CA-O 3.31Å; E265-L307 WeakPolarHBondContact CA-O 3.41Å
266	G	89.8	Confident	71	Confident	18 Å²	18	70.7 Å²	70.7	19%	0.186	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-172.1	165.3	177.3	0	0	0	0	0	112.4	R306 L307	G266-R306 WeakPolarHBondContact O-CA 3.27Å; G266-L307 PolarHBondContact N-O 3.12Å; G266-L307 PolarHBondContact O-N 3Å
267	I	91.4	Very high	71.6	Confident	96 Å²	96	74 Å²	74	49%	0.492	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	130.4	179.3	-61.5	177.6	0	0	0	108.2	Q304 S305	I267-Q304 HydrophobicContact CG2-CG 3.47Å; I267-Q304 VanDerWaalsContact CG2-CG 3.47Å; I267-Q304 VanDerWaalsContact CG2-NE2 3.29Å; I267-S305 WeakPolarHBondContact CA-O 3.21Å
268	V	91.2	Very high	71.7	Confident	5 Å²	5	73 Å²	73	3%	0.03	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	164.6	177.5	-58.7	0	0	0	0	109.6	S305 L307 F369 Q370	V268-S305 PolarHBondContact N-O 3.42Å; V268-S305 PolarHBondContact O-N 3.18Å; V268-L307 HydrophobicContact CB-CD1 4.39Å; V268-L307 HydrophobicContact CG1-CD1 3.92Å; V268-L307 HydrophobicContact CG1-CG 4.42Å; V268-L307 HydrophobicContact CG2-CD1 3.6Å; V268-L307 HydrophobicContact CG2-CD2 4.42Å; V268-L307 HydrophobicContact CG2-CG 3.58Å; V268-F369 HydrophobicContact CB-CB 4.37Å; V268-F369 HydrophobicContact CG2-CB 4.07Å; V268-F369 HydrophobicContact CG2-CD1 3.75Å; V268-F369 HydrophobicContact CG2-CG 4.23Å; V268-Q370 CarbonylContact C-O 3.59Å; V268-Q370 WeakPolarHBondContact CA-O 3.28Å; V268-Q370 WeakPolarHBondContact CB-O 3.49Å
269	M	89.8	Confident	71.5	Confident	58 Å²	58	76.3 Å²	76.3	29%	0.286	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	119.4	168.8	-60.6	-66.7	-66.4	0	0	109.5	W302 A303 Q304 F369 Q370	M269-W302 HydrophobicContact CB-CE3 3.96Å; M269-W302 HydrophobicContact CE-CB 3.89Å; M269-W302 VanDerWaalsContact O-CZ3 3.3Å; M269-W302 WeakPolarHBondContact O-CZ3 3.25Å; M269-A303 CarbonylContact C-O 3.55Å; M269-A303 WeakPolarHBondContact CA-O 3.33Å; M269-Q304 HydrophobicContact SD-CB 3.8Å; M269-Q304 HydrophobicContact SD-CG 4.22Å; M269-F369 CarbonylContact O-C 3.52Å; M269-F369 VanDerWaalsContact O-CA 3.26Å; M269-F369 WeakPolarHBondContact O-CA 3.33Å; M269-Q370 HydrophobicContact CB-CB 4.14Å; M269-Q370 PolarHBondContact N-O 2.83Å; M269-Q370 PolarHBondContact O-N 3.02Å
270	Q	90	Very high	70.6	Confident	4 Å²	4	80.7 Å²	80.7	2%	0.019	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	135.6	174.5	-178.4	-176.2	-4.7	0	0	111.3	L272 W302 A303 S305 T322 Y331 I368 F369	Q270-L272 HydrophobicContact CG-CD2 4Å; Q270-L272 PolarHBondContact O-N 3.02Å; Q270-W302 CarbonylContact O-C 3.47Å; Q270-W302 WeakPolarHBondContact O-CA 3.4Å; Q270-A303 PolarHBondContact N-O 2.94Å; Q270-A303 PolarHBondContact O-N 3.47Å; Q270-S305 WeakPolarHBondContact CB-OG 3.34Å; Q270-S305 PolarHBondContact OE1-OG 3.33Å; Q270-S305 VanDerWaalsContact OE1-OG 3.13Å; Q270-T322 PolarHBondContact OE1-OG1 2.96Å; Q270-Y331 PolarHBondContact NE2-OH 3.15Å; Q270-I368 WeakPolarHBondContact CA-O 3.45Å; Q270-F369 HydrophobicContact CB-CD1 4.03Å; Q270-F369 HydrophobicContact CB-CE1 4.14Å; Q270-F369 HydrophobicContact CG-CD1 4.16Å; Q270-F369 HydrophobicContact CG-CE1 3.9Å
271	W	86.4	Confident	69.2	Low	43 Å²	43	83 Å²	83	16%	0.163	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	119.4	166.5	-177.7	-110.3	0	0	0	110.3	G273 P274 W302 I368	W271-G273 VanDerWaalsContact NE1-CA 3.33Å; W271-P274 PolarHBondContact NE1-O 3.44Å; W271-W302 HydrophobicContact CB-CD2 4.41Å; W271-W302 HydrophobicContact CB-CE3 4.06Å; W271-W302 HydrophobicContact CB-CH2 4.02Å; W271-W302 HydrophobicContact CB-CZ2 4.34Å; W271-W302 HydrophobicContact CB-CZ3 3.86Å; W271-W302 HydrophobicContact CD2-CZ2 4.49Å; W271-W302 AromaticContact CE3-CD1 3.59Å; W271-W302 AromaticContact CE3-CD2 3.77Å; W271-W302 HydrophobicContact CE3-CD2 3.77Å; W271-W302 AromaticContact CE3-CE2 3.41Å; W271-W302 VanDerWaalsContact CE3-CE2 3.41Å; W271-W302 AromaticContact CE3-CG 3.89Å; W271-W302 HydrophobicContact CE3-CG 3.89Å; W271-W302 AromaticContact CE3-CZ2 3.95Å; W271-W302 HydrophobicContact CE3-CZ2 3.95Å; W271-W302 AromaticContact CE3-NE1 3.28Å; W271-W302 VanDerWaalsContact CE3-NE1 3.28Å; W271-W302 AromaticContact CZ3-CD1 3.59Å; W271-W302 AromaticContact CZ3-CE2 3.98Å; W271-W302 HydrophobicContact CZ3-CG 4.31Å; W271-W302 AromaticContact CZ3-NE1 3.35Å; W271-W302 VanDerWaalsContact CZ3-NE1 3.35Å; W271-I368 HydrophobicContact CB-CB 3.96Å; W271-I368 HydrophobicContact CB-CG2 4.34Å; W271-I368 PolarHBondContact N-O 3.12Å
272	L	81.9	Confident	66.8	Low	84 Å²	84	86.9 Å²	86.9	44%	0.44	43%	0.432	S	S	.	.			trans	-100	6.8	175.4	-60.8	-177.9	0	0	0	113.2	Q270 A303 T322	Q270-L272 HydrophobicContact CG-CD2 4Å; Q270-L272 PolarHBondContact O-N 3.02Å; L272-A303 HydrophobicContact CD1-CB 3.45Å; L272-A303 VanDerWaalsContact CD1-CB 3.45Å; L272-A303 HydrophobicContact CG-CB 3.97Å; L272-T322 HydrophobicContact CD1-CG2 4.29Å
273	G	71.7	Confident	64.6	Low	16 Å²	16	89.8 Å²	89.8	17%	0.165	45%	0.447	C	S	.	.	S	Bend	trans	-80	175.3	178.3	0	0	0	0	0	113.7	W271	W271-G273 VanDerWaalsContact NE1-CA 3.33Å
274	P	60.1	Low	61.9	Low	98 Å²	98	93.1 Å²	93.1	64%	0.636	46%	0.462	S	S	*	.			trans	-58.4	150.9	176.1	24.2	-32	0	0	0	111.9	W271	W271-P274 PolarHBondContact NE1-O 3.44Å
275	H	58.6	Low	59	Low	113 Å²	113	97.7 Å²	97.7	52%	0.523	50%	0.499	S	S	.	.			trans	-63.7	144.1	-177.3	-67.6	-76.1	0	0	0	112.1	D277 Q366	H275-D277 PolarHBondContact O-N 3.05Å; H275-Q366 PolarHBondContact CE1-O 2.88Å; H275-Q366 PolarHBondContact ND1-O 3.26Å; H275-Q366 VanDerWaalsContact ND1-O 3.1Å
276	F	51.9	Low	56.3	Low	56 Å²	56	101.7 Å²	101.7	25%	0.246	52%	0.518	C	S	.	.			trans	-72.7	109.6	170.6	-70.9	-98.6	0	0	0	109.2	S278 L349 T350 I368	F276-S278 PolarHBondContact O-N 3.32Å; F276-S278 VanDerWaalsContact O-N 3.13Å; F276-L349 HydrophobicContact CE1-CD2 4.36Å; F276-L349 HydrophobicContact CE2-CD2 4.38Å; F276-L349 HydrophobicContact CZ-CD2 3.87Å; F276-T350 HydrophobicContact CE1-CG2 4.37Å; F276-I368 HydrophobicContact CD2-CD1 3.18Å; F276-I368 HydrophobicContact CE2-CD1 3.25Å; F276-I368 HydrophobicContact CG-CD1 4.36Å; F276-I368 HydrophobicContact CZ-CD1 4.47Å
277	D	41.6	Very low	53.4	Low	147 Å²	147	110 Å²	110	79%	0.786	55%	0.549	S	S	*	.			trans	-64.3	112.2	165.9	-101.9	-31.2	0	0	0	108.4	H275 H279	H275-D277 PolarHBondContact O-N 3.05Å; D277-H279 PolarHBondContact O-N 3.45Å
278	S	33.7	Very low	50.6	Low	70 Å²	70	114.5 Å²	114.5	49%	0.49	57%	0.57	S	S	.	*	S	Bend	trans	-73.5	24.4	179.8	-64.6	0	0	0	0	113.6	F276 K360	F276-S278 PolarHBondContact O-N 3.32Å; F276-S278 VanDerWaalsContact O-N 3.13Å; S278-K360 PolarHBondContact OG-NZ 3.49Å
279	H	36	Very low	47.9	Very low	169 Å²	169	121.5 Å²	121.5	78%	0.782	61%	0.607	S	S	*	*	S	Bend	trans	-127	88	167.1	-71.6	-65.7	0	0	0	108.4	D277 P281	D277-H279 PolarHBondContact O-N 3.45Å; H279-P281 WeakPolarHBondContact O-CD 3.37Å
280	R	26.7	Very low	45.2	Very low	233 Å²	233	126.2 Å²	126.2	88%	0.879	63%	0.634	S	S	*	*			trans	0.1	118.5	165.2	-167.8	-168.9	-94.3	-153.4	-2	114.5
281	P	30.2	Very low	42.9	Very low	97 Å²	97	130.8 Å²	130.8	63%	0.63	66%	0.664	S	S	*	*				-140.4	138.5	116.4	25.9	-6.9	0	0	0	113.9	H279 I283	H279-P281 WeakPolarHBondContact O-CD 3.37Å; P281-I283 PolarHBondContact O-N 2.78Å
282	R	25.1	Very low	40.3	Very low	225 Å²	225	137.7 Å²	137.7	85%	0.849	70%	0.698	S	S	*	*			trans	-52.4	129.2	156.6	-75.6	173.4	168	155.3	-5.6	108.4
283	I	35.4	Very low	38	Very low	149 Å²	149	138.4 Å²	138.4	76%	0.764	72%	0.716	S	S	*	*			trans	-125.1	115.4	163.2	-59.8	-179.8	0	0	0	107.1	P281	P281-I283 PolarHBondContact O-N 2.78Å
284	D	28.8	Very low	35.9	Very low	140 Å²	140	141.8 Å²	141.8	75%	0.749	75%	0.751	S	S	*	*			trans	-59.9	130.3	-178.9	-63.2	-55.9	0	0	0	111.7	E286	D284-E286 PolarHBondContact O-N 3.35Å
285	C	28.2	Very low	34.6	Very low	139 Å²	139	141.9 Å²	141.9	94%	0.939	75%	0.754	S	S	*	*			trans	-89.3	83.2	165.4	-72.5	0	0	0	0	109
286	E	33.1	Very low	33.3	Very low	176 Å²	176	146 Å²	146	82%	0.822	77%	0.773	S	S	*	*			trans	-94.2	110.1	161.8	-78.4	-163.9	133.8	0	0	110.6	D284	D284-E286 PolarHBondContact O-N 3.35Å
287	K	29.4	Very low	32.5	Very low	193 Å²	193	152.3 Å²	152.3	84%	0.839	80%	0.8	S	S	*	*			trans	27.4	113.5	144.3	-70	172.3	177.6	170	0	117.9
288	M	32.7	Very low	32.6	Very low	189 Å²	189	155 Å²	155	93%	0.931	81%	0.805	S	S	*	*				-154.5	126.6	121.3	-150.6	94.7	86.6	0	0	110.6
289	N	34.8	Very low	32.9	Very low	153 Å²	153	155.7 Å²	155.7	82%	0.818	81%	0.806	S	S	*	*			trans	-76.5	154.3	175.1	-72.9	-37.4	0	0	0	112.1
290	N	33.3	Very low	33.9	Very low	156 Å²	156	152.4 Å²	152.4	83%	0.834	80%	0.798	S	S	*	*			trans	85.2	151.4	146.9	-104	15.4	0	0	0	120.7
291	P	41	Very low	36.2	Very low	100 Å²	100	146.6 Å²	146.6	65%	0.649	78%	0.781	S	S	*	*				-127.7	-165.3	-116.9	31.1	-6.7	0	0	0	112.6
292	E	31.5	Very low	38.7	Very low	189 Å²	189	143.5 Å²	143.5	88%	0.883	76%	0.757	S	S	*	*			trans	80.2	94.8	168.3	-57.2	-167.5	154.1	0	0	118.4
293	A	33.7	Very low	41.7	Very low	98 Å²	98	133.7 Å²	133.7	81%	0.81	73%	0.725	S	S	*	*			trans	176	136.1	130.7	0	0	0	0	0	109.1	S295	A293-S295 PolarHBondContact O-N 2.91Å
294	G	28.1	Very low	44.3	Very low	88 Å²	88	131.2 Å²	131.2	91%	0.907	71%	0.709	S	S	*	*			trans	-61.1	125.9	-169.4	0	0	0	0	0	115
295	S	33.7	Very low	47.3	Very low	100 Å²	100	124.5 Å²	124.5	70%	0.699	67%	0.674	S	S	*	*			trans	-152.7	125.9	154.4	64.8	0	0	0	0	106.9	A293 K297	A293-S295 PolarHBondContact O-N 2.91Å; S295-K297 PolarHBondContact O-N 3.18Å
296	E	30.3	Very low	50.3	Low	198 Å²	198	119.8 Å²	119.8	93%	0.925	64%	0.636	S	S	*	*			trans	-37.3	102.8	-176.3	-67.2	174.5	149.5	0	0	113.3	K298	E296-K298 PolarHBondContact O-N 3.13Å; E296-K298 VanDerWaalsContact O-N 3.12Å
297	K	36.1	Very low	53.2	Low	189 Å²	189	111.6 Å²	111.6	82%	0.822	60%	0.598	S	S	*	*			trans	-74.4	101.8	172.8	-71.7	-179.2	179.1	177.5	0	107.7	S295 T299	S295-K297 PolarHBondContact O-N 3.18Å; K297-T299 PolarHBondContact O-N 3.24Å
298	K	42.4	Very low	56.1	Low	204 Å²	204	102.6 Å²	102.6	89%	0.887	56%	0.559	S	S	*	*			trans	-57.3	93.5	158	-85.2	-179.4	176.9	175.1	0	107.3	E296 T300	E296-K298 PolarHBondContact O-N 3.13Å; E296-K298 VanDerWaalsContact O-N 3.12Å; K298-T300 PolarHBondContact O-N 3.22Å
299	T	41.3	Very low	58.9	Low	84 Å²	84	93.6 Å²	93.6	52%	0.515	52%	0.515	S	S	.	.			trans	-61.4	105.7	178.9	43.4	0	0	0	0	108.4	K297 Q301	K297-T299 PolarHBondContact O-N 3.24Å; T299-Q301 PolarHBondContact O-N 2.91Å; T299-Q301 PolarHBondContact OG1-NE2 2.85Å; T299-Q301 VanDerWaalsContact OG1-NE2 3.17Å
300	T	55.6	Low	61.3	Low	100 Å²	100	87 Å²	87	61%	0.613	48%	0.481	S	S	*	.			trans	-59.1	88.1	161.5	46.6	0	0	0	0	107.7	K298	K298-T300 PolarHBondContact O-N 3.22Å
301	Q	74.6	Confident	63.5	Low	112 Å²	112	81.6 Å²	81.6	52%	0.523	46%	0.455	S	S	.	.			trans	-136.4	139.8	-176	68.9	-173.5	-8.2	0	0	112.1	T299 A303	T299-Q301 PolarHBondContact O-N 2.91Å; T299-Q301 PolarHBondContact OG1-NE2 2.85Å; T299-Q301 VanDerWaalsContact OG1-NE2 3.17Å; Q301-A303 PolarHBondContact O-N 3.03Å
302	W	83.5	Confident	65.1	Low	31 Å²	31	77.8 Å²	77.8	12%	0.117	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.6	126.8	163.7	-71.4	93	0	0	0	108.8	M269 Q270 W271 R353 V356 I368 Q370	M269-W302 HydrophobicContact CB-CE3 3.96Å; M269-W302 HydrophobicContact CE-CB 3.89Å; M269-W302 VanDerWaalsContact O-CZ3 3.3Å; M269-W302 WeakPolarHBondContact O-CZ3 3.25Å; Q270-W302 CarbonylContact O-C 3.47Å; Q270-W302 WeakPolarHBondContact O-CA 3.4Å; W271-W302 HydrophobicContact CB-CD2 4.41Å; W271-W302 HydrophobicContact CB-CE3 4.06Å; W271-W302 HydrophobicContact CB-CH2 4.02Å; W271-W302 HydrophobicContact CB-CZ2 4.34Å; W271-W302 HydrophobicContact CB-CZ3 3.86Å; W271-W302 HydrophobicContact CD2-CZ2 4.49Å; W271-W302 AromaticContact CE3-CD1 3.59Å; W271-W302 AromaticContact CE3-CD2 3.77Å; W271-W302 HydrophobicContact CE3-CD2 3.77Å; W271-W302 AromaticContact CE3-CE2 3.41Å; W271-W302 VanDerWaalsContact CE3-CE2 3.41Å; W271-W302 AromaticContact CE3-CG 3.89Å; W271-W302 HydrophobicContact CE3-CG 3.89Å; W271-W302 AromaticContact CE3-CZ2 3.95Å; W271-W302 HydrophobicContact CE3-CZ2 3.95Å; W271-W302 AromaticContact CE3-NE1 3.28Å; W271-W302 VanDerWaalsContact CE3-NE1 3.28Å; W271-W302 AromaticContact CZ3-CD1 3.59Å; W271-W302 AromaticContact CZ3-CE2 3.98Å; W271-W302 HydrophobicContact CZ3-CG 4.31Å; W271-W302 AromaticContact CZ3-NE1 3.35Å; W271-W302 VanDerWaalsContact CZ3-NE1 3.35Å; W302-R353 VanDerWaalsContact CD1-CZ 3.41Å; W302-V356 HydrophobicContact CH2-CG1 4.24Å; W302-V356 HydrophobicContact CH2-CG2 4.4Å; W302-I368 HydrophobicContact CH2-CG2 3.67Å; W302-I368 HydrophobicContact CZ3-CG2 4.2Å; W302-Q370 HydrophobicContact CE3-CB 4.36Å; W302-Q370 HydrophobicContact CH2-CB 4.24Å; W302-Q370 HydrophobicContact CZ3-CB 3.85Å
303	A	88	Confident	66.7	Low	20 Å²	20	72.4 Å²	72.4	17%	0.165	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	142.5	177.5	0	0	0	0	0	109.9	M269 Q270 L272 Q301 S305 T322	M269-A303 CarbonylContact C-O 3.55Å; M269-A303 WeakPolarHBondContact CA-O 3.33Å; Q270-A303 PolarHBondContact N-O 2.94Å; Q270-A303 PolarHBondContact O-N 3.47Å; L272-A303 HydrophobicContact CD1-CB 3.45Å; L272-A303 VanDerWaalsContact CD1-CB 3.45Å; L272-A303 HydrophobicContact CG-CB 3.97Å; Q301-A303 PolarHBondContact O-N 3.03Å; A303-S305 PolarHBondContact O-N 2.72Å; A303-T322 HydrophobicContact CB-CG2 4.02Å
304	Q	90.4	Very high	68	Low	96 Å²	96	70.8 Å²	70.8	45%	0.449	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	135.1	171.3	-167.5	175.1	-25.7	0	0	109	I267 M269 P324	I267-Q304 HydrophobicContact CG2-CG 3.47Å; I267-Q304 VanDerWaalsContact CG2-CG 3.47Å; I267-Q304 VanDerWaalsContact CG2-NE2 3.29Å; M269-Q304 HydrophobicContact SD-CB 3.8Å; M269-Q304 HydrophobicContact SD-CG 4.22Å; Q304-P324 HydrophobicContact CG-CG 4.07Å; Q304-P324 VanDerWaalsContact O-CD 3.32Å; Q304-P324 WeakPolarHBondContact O-CD 3.32Å
305	S	90.7	Very high	69.9	Low	0 Å²	0	67.5 Å²	67.5	0%	0	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	147.2	-178.1	-60.1	0	0	0	0	109.7	I267 V268 Q270 A303 F321 T322	I267-S305 WeakPolarHBondContact CA-O 3.21Å; V268-S305 PolarHBondContact N-O 3.42Å; V268-S305 PolarHBondContact O-N 3.18Å; Q270-S305 WeakPolarHBondContact CB-OG 3.34Å; Q270-S305 PolarHBondContact OE1-OG 3.33Å; Q270-S305 VanDerWaalsContact OE1-OG 3.13Å; A303-S305 PolarHBondContact O-N 2.72Å; S305-F321 CarbonylContact C-O 3.49Å; S305-F321 WeakPolarHBondContact CA-O 3.25Å; S305-F321 WeakPolarHBondContact CB-O 3.48Å; S305-T322 WeakPolarHBondContact CB-OG1 3.43Å; S305-T322 PolarHBondContact OG-OG1 2.82Å
306	R	92.9	Very high	72.2	Confident	40 Å²	40	63.9 Å²	63.9	15%	0.151	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	126.9	172.1	179.7	170.7	65.2	124.3	-7.8	109	R250 E265 G266 F321 P324 A326	R250-R306 VanDerWaalsContact NH2-CZ 3.28Å; E265-R306 HydrophobicContact CG-CG 4.25Å; E265-R306 VanDerWaalsContact OE1-CD 3.24Å; E265-R306 WeakPolarHBondContact OE1-CD 3.41Å; E265-R306 IonicContact OE1-CZ 3.63Å; E265-R306 IonicContact OE1-NE 3.81Å; E265-R306 IonicContact OE1-NH1 2.69Å; E265-R306 PolarHBondContact OE1-NH1 2.76Å; G266-R306 WeakPolarHBondContact O-CA 3.27Å; R306-F321 HydrophobicContact CB-CB 4.15Å; R306-F321 PolarHBondContact N-O 3.07Å; R306-F321 WeakPolarHBondContact O-CD2 3.36Å; R306-F321 PolarHBondContact O-N 3.17Å; R306-P324 HydrophobicContact CB-CB 3.78Å; R306-P324 PolarHBondContact NE-O 3.32Å; R306-P324 PolarHBondContact NH2-O 3.44Å; R306-A326 PolarHBondContact NH2-O 3.07Å
307	L	92.8	Very high	74.8	Confident	4 Å²	4	56.3 Å²	56.3	2%	0.021	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	131.7	174.1	-69.1	-177	0	0	0	109	E265 G266 V268 L318 E319 I320 F369 W380	E265-L307 VanDerWaalsContact CA-O 3.31Å; E265-L307 WeakPolarHBondContact CA-O 3.41Å; G266-L307 PolarHBondContact N-O 3.12Å; G266-L307 PolarHBondContact O-N 3Å; V268-L307 HydrophobicContact CB-CD1 4.39Å; V268-L307 HydrophobicContact CG1-CD1 3.92Å; V268-L307 HydrophobicContact CG1-CG 4.42Å; V268-L307 HydrophobicContact CG2-CD1 3.6Å; V268-L307 HydrophobicContact CG2-CD2 4.42Å; V268-L307 HydrophobicContact CG2-CG 3.58Å; L307-L318 HydrophobicContact CB-CD1 4.27Å; L307-L318 HydrophobicContact CD2-CD1 4.31Å; L307-L318 HydrophobicContact CD2-CG 4.47Å; L307-E319 WeakPolarHBondContact CA-O 3.27Å; L307-I320 HydrophobicContact CD2-CB 4.2Å; L307-I320 HydrophobicContact CD2-CG1 3.61Å; L307-I320 HydrophobicContact CD2-CG2 4.18Å; L307-F369 HydrophobicContact CD1-CD1 4.22Å; L307-F369 HydrophobicContact CD1-CD2 4.42Å; L307-F369 HydrophobicContact CD1-CG 4.17Å; L307-F369 HydrophobicContact CD2-CD1 4.23Å; L307-F369 HydrophobicContact CD2-CE1 3.78Å; L307-F369 HydrophobicContact CD2-CZ 3.98Å; L307-W380 HydrophobicContact CB-CH2 3.39Å; L307-W380 HydrophobicContact CB-CZ2 3.68Å; L307-W380 HydrophobicContact CB-CZ3 3.93Å; L307-W380 HydrophobicContact CD1-CD2 4.37Å; L307-W380 HydrophobicContact CD1-CE3 4.41Å; L307-W380 HydrophobicContact CD1-CH2 4.45Å; L307-W380 HydrophobicContact CD1-CZ2 4.39Å; L307-W380 HydrophobicContact CD1-CZ3 4.44Å; L307-W380 WeakPolarHBondContact O-CH2 2.91Å
308	C	90.7	Very high	77.4	Confident	4 Å²	4	47.3 Å²	47.3	3%	0.027	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	117.1	172.3	-58.4	0	0	0	0	108.9	L262 R264 L318 E319 F321	L262-C308 HydrophobicContact CD1-CB 4.05Å; R264-C308 CarbonylContact O-C 3.58Å; C308-L318 CarbonylContact O-C 3.39Å; C308-E319 HydrophobicContact CB-CB 4.38Å; C308-E319 PolarHBondContact N-O 2.79Å; C308-E319 PolarHBondContact O-N 3.33Å; C308-F321 HydrophobicContact CB-CE2 4.06Å
309	L	91.2	Very high	79.7	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	112.3	172.4	-174.3	69.4	0	0	0	108.8	V263 R264 L316 L318 C335 W380 A383	V263-L309 WeakPolarHBondContact CA-O 3.04Å; V263-L309 HydrophobicContact CB-CD2 4.22Å; V263-L309 HydrophobicContact CB-CG 4.29Å; V263-L309 WeakPolarHBondContact CB-O 3.32Å; V263-L309 HydrophobicContact CG1-CD2 4.05Å; V263-L309 PolarHBondContact N-O 2.88Å; R264-L309 HydrophobicContact CB-CB 4.34Å; R264-L309 PolarHBondContact N-O 3.32Å; R264-L309 PolarHBondContact O-N 2.83Å; L309-L316 HydrophobicContact CD1-CB 4.19Å; L309-L316 HydrophobicContact CD1-CD2 4.28Å; L309-L316 HydrophobicContact CD2-CD2 4.31Å; L309-L316 HydrophobicContact CG-CD2 3.94Å; L309-L318 HydrophobicContact CB-CD1 4.4Å; L309-L318 HydrophobicContact CD1-CB 4.24Å; L309-L318 HydrophobicContact CD1-CD1 4.31Å; L309-C335 VanDerWaalsContact CD1-SG 3.5Å; L309-W380 HydrophobicContact CB-CZ3 4.22Å; L309-A383 HydrophobicContact CD2-CB 3.74Å; L309-A383 WeakPolarHBondContact CD2-O 3.28Å
310	C	85.1	Confident	82.1	Confident	14 Å²	14	36.6 Å²	36.6	10%	0.095	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	126.6	-174.2	-61.3	0	0	0	0	110.6	A260 E261 T312 L316 I317	A260-C310 HydrophobicContact CB-CB 4.34Å; E261-C310 CarbonylContact O-C 3.57Å; C310-T312 PolarHBondContact O-N 3.39Å; C310-L316 CarbonylContact O-C 3.53Å; C310-L316 WeakPolarHBondContact O-CA 3.41Å; C310-I317 PolarHBondContact N-O 2.9Å; C310-I317 PolarHBondContact O-N 3.19Å
311	S	81	Confident	83.7	Confident	42 Å²	42	31.9 Å²	31.9	29%	0.294	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	108.4	173.1	-175.5	0	0	0	0	109.4	A260 E261	A260-S311 CarbonylContact C-O 3.52Å; A260-S311 VanDerWaalsContact CA-O 3.23Å; A260-S311 WeakPolarHBondContact CA-O 3.29Å; E261-S311 PolarHBondContact N-O 2.83Å; E261-S311 WeakPolarHBondContact O-CB 2.99Å; E261-S311 PolarHBondContact O-N 3.32Å
312	T	74.2	Confident	84.4	Confident	21 Å²	21	27.8 Å²	27.8	13%	0.129	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	168	176.1	74.8	0	0	0	0	111	I258 A260 C310 A314 G315 I317	I258-T312 HydrophobicContact CG2-CG2 4.38Å; A260-T312 HydrophobicContact CB-CG2 4.17Å; C310-T312 PolarHBondContact O-N 3.39Å; T312-A314 PolarHBondContact O-N 2.77Å; T312-A314 PolarHBondContact OG1-N 3.29Å; T312-G315 WeakPolarHBondContact CA-O 3.45Å; T312-G315 WeakPolarHBondContact CB-O 3.47Å; T312-G315 PolarHBondContact N-O 3.39Å; T312-G315 PolarHBondContact O-N 3.35Å; T312-G315 PolarHBondContact OG1-O 2.65Å; T312-I317 HydrophobicContact CG2-CD1 3.68Å; T312-I317 HydrophobicContact CG2-CG1 4.02Å
313	S	64.9	Low	84.4	Confident	75 Å²	75	30.1 Å²	30.1	52%	0.524	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-18.7	173	60.4	0	0	0	0	114
314	A	60.5	Low	84.3	Confident	65 Å²	65	29.9 Å²	29.9	54%	0.537	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94	-2	176.4	0	0	0	0	0	113.4	T312 T822	T312-A314 PolarHBondContact O-N 2.77Å; T312-A314 PolarHBondContact OG1-N 3.29Å; A314-T822 VanDerWaalsContact C-OG1 3.3Å; A314-T822 WeakPolarHBondContact O-CG2 3.28Å; A314-T822 PolarHBondContact O-OG1 3.24Å
315	G	68.9	Low	84	Confident	18 Å²	18	32.3 Å²	32.3	19%	0.186	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	118.1	-173.1	-174	0	0	0	0	0	112.3	T312	T312-G315 WeakPolarHBondContact CA-O 3.45Å; T312-G315 WeakPolarHBondContact CB-O 3.47Å; T312-G315 PolarHBondContact N-O 3.39Å; T312-G315 PolarHBondContact O-N 3.35Å; T312-G315 PolarHBondContact OG1-O 2.65Å
316	L	80.7	Confident	83.7	Confident	24 Å²	24	33.5 Å²	33.5	13%	0.126	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	135.2	178.6	-77	159.9	0	0	0	110.7	V263 L309 C310 C335	V263-L316 HydrophobicContact CB-CD2 4.24Å; V263-L316 HydrophobicContact CG2-CD2 3.51Å; L309-L316 HydrophobicContact CD1-CB 4.19Å; L309-L316 HydrophobicContact CD1-CD2 4.28Å; L309-L316 HydrophobicContact CD2-CD2 4.31Å; L309-L316 HydrophobicContact CG-CD2 3.94Å; C310-L316 CarbonylContact O-C 3.53Å; C310-L316 WeakPolarHBondContact O-CA 3.41Å; L316-C335 HydrophobicContact CB-CB 3.9Å; L316-C335 WeakPolarHBondContact O-CB 3.24Å; L316-C335 PolarHBondContact O-N 2.97Å; L316-C335 PolarHBondContact O-SG 2.9Å
317	I	86.4	Confident	83	Confident	40 Å²	40	37.7 Å²	37.7	21%	0.205	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	126.9	175.7	-57.3	-177.6	0	0	0	107.5	C310 T312 E319	C310-I317 PolarHBondContact N-O 2.9Å; C310-I317 PolarHBondContact O-N 3.19Å; T312-I317 HydrophobicContact CG2-CD1 3.68Å; T312-I317 HydrophobicContact CG2-CG1 4.02Å; I317-E319 HydrophobicContact CG2-CG 4.19Å
318	L	90.1	Very high	82.2	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	110.4	172.3	-178.2	68.3	0	0	0	108.6	L307 C308 L309 I320 G332 L333 W380 I384	L307-L318 HydrophobicContact CB-CD1 4.27Å; L307-L318 HydrophobicContact CD2-CD1 4.31Å; L307-L318 HydrophobicContact CD2-CG 4.47Å; C308-L318 CarbonylContact O-C 3.39Å; L309-L318 HydrophobicContact CB-CD1 4.4Å; L309-L318 HydrophobicContact CD1-CB 4.24Å; L309-L318 HydrophobicContact CD1-CD1 4.31Å; L318-I320 HydrophobicContact CD2-CD1 4.49Å; L318-I320 HydrophobicContact CG-CD1 4.18Å; L318-I320 WeakPolarHBondContact O-CD1 3.25Å; L318-G332 CarbonylContact O-C 3.58Å; L318-G332 VanDerWaalsContact O-CA 3.3Å; L318-G332 WeakPolarHBondContact O-CA 3.2Å; L318-L333 HydrophobicContact CB-CB 4.4Å; L318-L333 PolarHBondContact N-O 2.79Å; L318-L333 PolarHBondContact O-N 3.37Å; L318-W380 HydrophobicContact CD1-CZ3 4.09Å; L318-I384 HydrophobicContact CD2-CD1 4.18Å
319	E	90.2	Very high	81.8	Confident	62 Å²	62	44.2 Å²	44.2	29%	0.29	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	133.2	175	-62.8	-171.7	158.6	0	0	110.5	L307 C308 I317 F321	L307-E319 WeakPolarHBondContact CA-O 3.27Å; C308-E319 HydrophobicContact CB-CB 4.38Å; C308-E319 PolarHBondContact N-O 2.79Å; C308-E319 PolarHBondContact O-N 3.33Å; I317-E319 HydrophobicContact CG2-CG 4.19Å; E319-F321 HydrophobicContact CB-CE2 3.71Å; E319-F321 HydrophobicContact CB-CZ 4.2Å
320	I	90.8	Very high	81.3	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	125.2	-178.4	-57	71.6	0	0	0	108.4	L307 L318 S329 Q330 Y331 L333 F369	L307-I320 HydrophobicContact CD2-CB 4.2Å; L307-I320 HydrophobicContact CD2-CG1 3.61Å; L307-I320 HydrophobicContact CD2-CG2 4.18Å; L318-I320 HydrophobicContact CD2-CD1 4.49Å; L318-I320 HydrophobicContact CG-CD1 4.18Å; L318-I320 WeakPolarHBondContact O-CD1 3.25Å; I320-S329 CarbonylContact O-C 3.5Å; I320-S329 WeakPolarHBondContact O-CA 3.14Å; I320-S329 WeakPolarHBondContact O-CB 3.1Å; I320-Q330 PolarHBondContact O-N 3.2Å; I320-Y331 HydrophobicContact CB-CE1 4.32Å; I320-Y331 HydrophobicContact CB-CE2 4.08Å; I320-Y331 HydrophobicContact CD1-CD2 3.74Å; I320-Y331 HydrophobicContact CD1-CE2 3.39Å; I320-Y331 HydrophobicContact CG1-CD2 4.3Å; I320-Y331 HydrophobicContact CG1-CE2 3.63Å; I320-Y331 HydrophobicContact CG2-CE1 4.37Å; I320-Y331 PolarHBondContact N-O 3.21Å; I320-L333 HydrophobicContact CD1-CD1 4.28Å; I320-L333 HydrophobicContact CD1-CG 4.06Å; I320-F369 HydrophobicContact CG1-CE1 4.25Å; I320-F369 HydrophobicContact CG1-CZ 3.92Å; I320-F369 HydrophobicContact CG2-CE1 4.27Å
321	F	90.9	Very high	81.3	Confident	1 Å²	1	50.8 Å²	50.8	0%	0.004	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	116.5	177.2	-60	-98.4	0	0	0	109.6	R250 S305 R306 C308 E319 P323 A326 Q328 S329	R250-F321 VanDerWaalsContact NH1-CZ 3.26Å; S305-F321 CarbonylContact C-O 3.49Å; S305-F321 WeakPolarHBondContact CA-O 3.25Å; S305-F321 WeakPolarHBondContact CB-O 3.48Å; R306-F321 HydrophobicContact CB-CB 4.15Å; R306-F321 PolarHBondContact N-O 3.07Å; R306-F321 WeakPolarHBondContact O-CD2 3.36Å; R306-F321 PolarHBondContact O-N 3.17Å; C308-F321 HydrophobicContact CB-CE2 4.06Å; E319-F321 HydrophobicContact CB-CE2 3.71Å; E319-F321 HydrophobicContact CB-CZ 4.2Å; F321-P323 CarbonylContact C-O 3.52Å; F321-P323 VanDerWaalsContact C-O 3.25Å; F321-P323 CarbonylContact O-C 3.46Å; F321-A326 WeakPolarHBondContact CD1-O 3.42Å; F321-Q328 VanDerWaalsContact CD1-C 3.41Å; F321-Q328 WeakPolarHBondContact CD1-O 3.27Å; F321-S329 VanDerWaalsContact CD1-CA 3.44Å; F321-S329 VanDerWaalsContact CE1-CA 3.4Å
322	T	87.8	Confident	81.4	Confident	26 Å²	26	50.9 Å²	50.9	16%	0.16	30%	0.298	C	S	.	.	S	Bend	trans	-134.9	107	-179.5	-52.3	0	0	0	0	108	Q270 L272 A303 S305 Q330	Q270-T322 PolarHBondContact OE1-OG1 2.96Å; L272-T322 HydrophobicContact CD1-CG2 4.29Å; A303-T322 HydrophobicContact CB-CG2 4.02Å; S305-T322 WeakPolarHBondContact CB-OG1 3.43Å; S305-T322 PolarHBondContact OG-OG1 2.82Å; T322-Q330 PolarHBondContact OG1-OE1 3.43Å
323	P	83.9	Confident	82	Confident	81 Å²	81	50.6 Å²	50.6	53%	0.526	30%	0.296	S	S	.	.	S	Bend	cis	-67.3	165.3	2.4	29.8	-36.5	0	0	0	113.9	F321 D325 A326	F321-P323 CarbonylContact C-O 3.52Å; F321-P323 VanDerWaalsContact C-O 3.25Å; F321-P323 CarbonylContact O-C 3.46Å; P323-D325 PolarHBondContact O-N 3.09Å; P323-A326 HydrophobicContact CG-CB 4.47Å; P323-A326 WeakPolarHBondContact O-CB 3.42Å; P323-A326 PolarHBondContact O-N 3.21Å; P323-A326 VanDerWaalsContact O-N 3.08Å
324	P	85.9	Confident	82.8	Confident	14 Å²	14	49.8 Å²	49.8	9%	0.091	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-31	-177.4	26.4	-36.8	0	0	0	113.1	Q304 R306 A326	Q304-P324 HydrophobicContact CG-CG 4.07Å; Q304-P324 VanDerWaalsContact O-CD 3.32Å; Q304-P324 WeakPolarHBondContact O-CD 3.32Å; R306-P324 HydrophobicContact CB-CB 3.78Å; R306-P324 PolarHBondContact NE-O 3.32Å; R306-P324 PolarHBondContact NH2-O 3.44Å; P324-A326 PolarHBondContact O-N 3.1Å
325	D	85.3	Confident	83.8	Confident	148 Å²	148	46.7 Å²	46.7	79%	0.791	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-1	-179.4	-55.5	-39.1	0	0	0	113.4	P323 E327	P323-D325 PolarHBondContact O-N 3.09Å; D325-E327 PolarHBondContact O-N 3.43Å
326	A	83.6	Confident	84	Confident	24 Å²	24	47.5 Å²	47.5	20%	0.198	27%	0.273	C	S	.	.			trans	-62.1	133.5	177.9	0	0	0	0	0	111.3	R306 F321 P323 P324 Q328	R306-A326 PolarHBondContact NH2-O 3.07Å; F321-A326 WeakPolarHBondContact CD1-O 3.42Å; P323-A326 HydrophobicContact CG-CB 4.47Å; P323-A326 WeakPolarHBondContact O-CB 3.42Å; P323-A326 PolarHBondContact O-N 3.21Å; P323-A326 VanDerWaalsContact O-N 3.08Å; P324-A326 PolarHBondContact O-N 3.1Å; A326-Q328 VanDerWaalsContact C-N 3.31Å
327	E	78.2	Confident	83.9	Confident	128 Å²	128	49 Å²	49	60%	0.598	28%	0.281	S	S	*	.	S	Bend	trans	-69.4	-31.3	175.6	-68.4	-166	-178.2	0	0	112.3	R250 S251 D325	R250-E327 PolarHBondContact NH1-O 3.26Å; S251-E327 PolarHBondContact OG-OE2 3.17Å; D325-E327 PolarHBondContact O-N 3.43Å
328	Q	75.4	Confident	83.7	Confident	102 Å²	102	47.2 Å²	47.2	48%	0.477	27%	0.272	S	S	.	.	S	Bend	trans	-108.6	140.4	180	-66.6	-176.5	2.1	0	0	111	H113 F321 A326	H113-Q328 PolarHBondContact ND1-OE1 3.04Å; H113-Q328 VanDerWaalsContact ND1-OE1 3.08Å; F321-Q328 VanDerWaalsContact CD1-C 3.41Å; F321-Q328 WeakPolarHBondContact CD1-O 3.27Å; A326-Q328 VanDerWaalsContact C-N 3.31Å
329	S	82.5	Confident	83.1	Confident	44 Å²	44	50.7 Å²	50.7	31%	0.308	29%	0.287	S	S	.	.			trans	-68.2	137.1	174	50.2	0	0	0	0	109	I320 F321 Y331	I320-S329 CarbonylContact O-C 3.5Å; I320-S329 WeakPolarHBondContact O-CA 3.14Å; I320-S329 WeakPolarHBondContact O-CB 3.1Å; F321-S329 VanDerWaalsContact CD1-CA 3.44Å; F321-S329 VanDerWaalsContact CE1-CA 3.4Å; S329-Y331 VanDerWaalsContact C-N 3.25Å; S329-Y331 PolarHBondContact O-N 3.12Å
330	Q	81.5	Confident	82.6	Confident	104 Å²	104	49.9 Å²	49.9	49%	0.486	29%	0.285	S	S	.	.	S	Bend	trans	-62.1	-40.6	174.7	-166.6	-174.2	24.4	0	0	110.1	I320 T322	I320-Q330 PolarHBondContact O-N 3.2Å; T322-Q330 PolarHBondContact OG1-OE1 3.43Å
331	Y	83.6	Confident	82.5	Confident	48 Å²	48	50.1 Å²	50.1	19%	0.188	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.3	165	170.1	56.1	-86.6	0	0	0	110	Q270 I320 S329 L333 K367	Q270-Y331 PolarHBondContact NE2-OH 3.15Å; I320-Y331 HydrophobicContact CB-CE1 4.32Å; I320-Y331 HydrophobicContact CB-CE2 4.08Å; I320-Y331 HydrophobicContact CD1-CD2 3.74Å; I320-Y331 HydrophobicContact CD1-CE2 3.39Å; I320-Y331 HydrophobicContact CG1-CD2 4.3Å; I320-Y331 HydrophobicContact CG1-CE2 3.63Å; I320-Y331 HydrophobicContact CG2-CE1 4.37Å; I320-Y331 PolarHBondContact N-O 3.21Å; S329-Y331 VanDerWaalsContact C-N 3.25Å; S329-Y331 PolarHBondContact O-N 3.12Å; Y331-L333 HydrophobicContact CD2-CD2 4.11Å; Y331-L333 HydrophobicContact CD2-CG 4.16Å; Y331-L333 HydrophobicContact CE2-CD1 4.31Å; Y331-L333 HydrophobicContact CE2-CD2 4.28Å; Y331-L333 HydrophobicContact CE2-CG 4.11Å; Y331-K367 HydrophobicContact CE2-CD 4.26Å; Y331-K367 HydrophobicContact CE2-CG 4.24Å; Y331-K367 VanDerWaalsContact OH-CD 3.23Å; Y331-K367 WeakPolarHBondContact OH-CD 3.3Å; Y331-K367 WeakPolarHBondContact OH-CE 3.42Å
332	G	84.8	Confident	82.3	Confident	43 Å²	43	53.2 Å²	53.2	44%	0.443	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	141.2	173.1	0	0	0	0	0	111.4	L318	L318-G332 CarbonylContact O-C 3.58Å; L318-G332 VanDerWaalsContact O-CA 3.3Å; L318-G332 WeakPolarHBondContact O-CA 3.2Å
333	L	85.6	Confident	82.3	Confident	16 Å²	16	54.9 Å²	54.9	8%	0.084	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	119.2	175.9	-60	-179.6	0	0	0	109.1	L318 I320 Y331 C335 V359 T361 K367	L318-L333 HydrophobicContact CB-CB 4.4Å; L318-L333 PolarHBondContact N-O 2.79Å; L318-L333 PolarHBondContact O-N 3.37Å; I320-L333 HydrophobicContact CD1-CD1 4.28Å; I320-L333 HydrophobicContact CD1-CG 4.06Å; Y331-L333 HydrophobicContact CD2-CD2 4.11Å; Y331-L333 HydrophobicContact CD2-CG 4.16Å; Y331-L333 HydrophobicContact CE2-CD1 4.31Å; Y331-L333 HydrophobicContact CE2-CD2 4.28Å; Y331-L333 HydrophobicContact CE2-CG 4.11Å; L333-C335 PolarHBondContact O-N 3.25Å; L333-V359 HydrophobicContact CD1-CG1 4.33Å; L333-T361 HydrophobicContact CD1-CG2 4.25Å; L333-T361 HydrophobicContact CD2-CG2 3.95Å; L333-K367 HydrophobicContact CD1-CG 4.14Å
334	C	83.1	Confident	82.3	Confident	57 Å²	57	51.4 Å²	51.4	39%	0.385	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	125.4	170.7	-61.1	0	0	0	0	109	G336 L337	C334-G336 PolarHBondContact O-N 3.36Å; C334-G336 VanDerWaalsContact O-N 3.11Å; C334-L337 HydrophobicContact CB-CD1 3.79Å; C334-L337 HydrophobicContact CB-CG 3.94Å; C334-L337 WeakPolarHBondContact O-CB 3.27Å; C334-L337 PolarHBondContact O-N 3.42Å
335	C	81.2	Confident	81.9	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-58.7	-29.5	-178.2	-65.1	0	0	0	0	112.5	L309 L316 L333 L337 I338 L388	L309-C335 VanDerWaalsContact CD1-SG 3.5Å; L316-C335 HydrophobicContact CB-CB 3.9Å; L316-C335 WeakPolarHBondContact O-CB 3.24Å; L316-C335 PolarHBondContact O-N 2.97Å; L316-C335 PolarHBondContact O-SG 2.9Å; L333-C335 PolarHBondContact O-N 3.25Å; C335-L337 PolarHBondContact O-N 3.14Å; C335-I338 HydrophobicContact CB-CD1 4.39Å; C335-I338 WeakPolarHBondContact O-CB 3.24Å; C335-I338 PolarHBondContact O-N 3.19Å; C335-I338 VanDerWaalsContact O-N 3.09Å; C335-L388 WeakPolarHBondContact O-CD2 3.32Å
336	G	72.3	Confident	81.4	Confident	36 Å²	36	49.1 Å²	49.1	37%	0.371	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-62.4	-19.5	174.3	0	0	0	0	0	115.3	C334	C334-G336 PolarHBondContact O-N 3.36Å; C334-G336 VanDerWaalsContact O-N 3.11Å
337	L	78.9	Confident	80.8	Confident	55 Å²	55	55.4 Å²	55.4	29%	0.288	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-91.6	-11.9	177.4	-54.5	171.3	0	0	0	112.3	C334 C335 F339 T361 E362 F363	C334-L337 HydrophobicContact CB-CD1 3.79Å; C334-L337 HydrophobicContact CB-CG 3.94Å; C334-L337 WeakPolarHBondContact O-CB 3.27Å; C334-L337 PolarHBondContact O-N 3.42Å; C335-L337 PolarHBondContact O-N 3.14Å; L337-F339 PolarHBondContact O-N 3.42Å; L337-T361 CarbonylContact O-C 3.56Å; L337-T361 WeakPolarHBondContact O-CA 3.43Å; L337-E362 HydrophobicContact CB-CG 4.26Å; L337-E362 HydrophobicContact CD2-CG 4.37Å; L337-E362 WeakPolarHBondContact CD2-OE1 3.49Å; L337-E362 PolarHBondContact O-N 3.46Å; L337-F363 HydrophobicContact CD1-CE2 3.99Å; L337-F363 HydrophobicContact CD2-CE2 3.93Å; L337-F363 HydrophobicContact CD2-CZ 4.29Å; L337-F363 HydrophobicContact CG-CE2 4.37Å
338	I	81.7	Confident	80.7	Confident	3 Å²	3	54 Å²	54	2%	0.015	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	122.2	-178.4	-60.1	174.8	0	0	0	107.8	C335 V341 V359 I384 L388	C335-I338 HydrophobicContact CB-CD1 4.39Å; C335-I338 WeakPolarHBondContact O-CB 3.24Å; C335-I338 PolarHBondContact O-N 3.19Å; C335-I338 VanDerWaalsContact O-N 3.09Å; I338-V341 HydrophobicContact CG2-CG2 3.24Å; I338-V359 HydrophobicContact CD1-CG1 3.76Å; I338-V359 HydrophobicContact CG1-CG1 4.03Å; I338-V359 HydrophobicContact CG2-CG1 3.79Å; I338-I384 HydrophobicContact CD1-CG2 3.85Å; I338-L388 HydrophobicContact CB-CD2 3.77Å; I338-L388 HydrophobicContact CG2-CD2 4.1Å
339	F	78.9	Confident	80.3	Confident	73 Å²	73	50.2 Å²	50.2	32%	0.32	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	-28.5	-178.2	86.3	-93.9	0	0	0	114.3	L337 K360 T361 R392	L337-F339 PolarHBondContact O-N 3.42Å; F339-K360 HydrophobicContact CD1-CB 3.87Å; F339-K360 WeakPolarHBondContact CD1-O 3.4Å; F339-K360 HydrophobicContact CE1-CB 3.24Å; F339-K360 HydrophobicContact CE1-CD 4.18Å; F339-K360 HydrophobicContact CE1-CG 4.35Å; F339-K360 HydrophobicContact CE2-CB 4.43Å; F339-K360 HydrophobicContact CE2-CD 4.44Å; F339-K360 HydrophobicContact CZ-CB 3.57Å; F339-K360 HydrophobicContact CZ-CD 3.66Å; F339-K360 HydrophobicContact CZ-CG 4.26Å; F339-K360 PolarHBondContact N-O 2.78Å; F339-T361 WeakPolarHBondContact CD1-O 3.5Å; F339-T361 WeakPolarHBondContact CE1-O 3.39Å; F339-R392 WeakPolarHBondContact O-CD 3.43Å; F339-R392 VanDerWaalsContact O-CZ 3.27Å; F339-R392 PolarHBondContact O-NE 2.71Å; F339-R392 PolarHBondContact O-NH1 3.44Å
340	D	79.5	Confident	79.5	Confident	45 Å²	45	53.2 Å²	53.2	24%	0.241	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	132.2	179.6	-177.9	25.9	0	0	0	109.5	R342 K360	D340-R342 IonicContact OD2-NE 3.2Å; D340-K360 HydrophobicContact CB-CB 4.16Å; D340-K360 HydrophobicContact CB-CD 4.47Å; D340-K360 HydrophobicContact CB-CG 4.35Å; D340-K360 PolarHBondContact N-O 2.89Å; D340-K360 PolarHBondContact O-N 2.88Å
341	V	87.4	Confident	78.9	Confident	5 Å²	5	52.2 Å²	52.2	3%	0.03	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	110.7	173.4	-175.5	0	0	0	0	107.1	I338 L358 V359 I381 I384 R385 L388	I338-V341 HydrophobicContact CG2-CG2 3.24Å; V341-L358 WeakPolarHBondContact CA-O 3.46Å; V341-V359 HydrophobicContact CG1-CG2 4.47Å; V341-I381 HydrophobicContact CG1-CG1 4.26Å; V341-I384 HydrophobicContact CG2-CG2 3.81Å; V341-R385 PolarHBondContact O-NH2 3.17Å; V341-L388 HydrophobicContact CG2-CD1 4.15Å
342	R	86.5	Confident	78.1	Confident	65 Å²	65	55 Å²	55	25%	0.245	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	152.9	-176.8	66.3	-176.8	-172.4	96.2	2.4	111.7	D340 E348 L358	D340-R342 IonicContact OD2-NE 3.2Å; R342-E348 IonicContact CZ-OE2 3.03Å; R342-E348 VanDerWaalsContact CZ-OE2 3.25Å; R342-E348 IonicContact NH1-OE1 3.09Å; R342-E348 PolarHBondContact NH1-OE1 2.87Å; R342-E348 IonicContact NH1-OE2 3.71Å; R342-E348 PolarHBondContact NH1-OE2 3.39Å; R342-E348 IonicContact NH2-OE2 3.87Å; R342-E348 PolarHBondContact NH2-OE2 2.75Å; R342-L358 HydrophobicContact CG-CB 4.24Å; R342-L358 HydrophobicContact CG-CD2 4.36Å; R342-L358 PolarHBondContact N-O 2.75Å; R342-L358 VanDerWaalsContact N-O 3.12Å; R342-L358 PolarHBondContact O-N 2.95Å
343	L	87.8	Confident	77.4	Confident	62 Å²	62	56.7 Å²	56.7	33%	0.325	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	131.3	162.5	-160.1	74.6	0	0	0	107.6	V356 A377 I381	L343-V356 CarbonylContact C-O 3.55Å; L343-V356 WeakPolarHBondContact CA-O 3.28Å; L343-V356 WeakPolarHBondContact CD1-O 3.36Å; L343-A377 HydrophobicContact CD1-CB 3.92Å; L343-I381 HydrophobicContact CB-CD1 4.03Å; L343-I381 HydrophobicContact CD1-CD1 4.29Å
344	V	83.9	Confident	77.2	Confident	8 Å²	8	61 Å²	61	5%	0.048	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	125.3	175.8	-177.3	0	0	0	0	107.5	E348 L349 V356 L358	V344-E348 HydrophobicContact CG1-CB 3.69Å; V344-L349 HydrophobicContact CG1-CD1 4.33Å; V344-L349 HydrophobicContact CG1-CD2 3.92Å; V344-L349 HydrophobicContact CG1-CG 3.84Å; V344-V356 HydrophobicContact CB-CB 4.36Å; V344-V356 HydrophobicContact CB-CG1 4.22Å; V344-V356 HydrophobicContact CG2-CG1 4.41Å; V344-V356 PolarHBondContact N-O 2.86Å; V344-L358 HydrophobicContact CG2-CB 3.4Å; V344-L358 VanDerWaalsContact CG2-CB 3.4Å; V344-L358 HydrophobicContact CG2-CD2 4.18Å; V344-L358 HydrophobicContact CG2-CG 4.4Å
345	C	77.1	Confident	77.3	Confident	70 Å²	70	59.8 Å²	59.8	47%	0.473	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-62.7	141.9	173.6	-66.9	0	0	0	0	109.6	D347 E348	C345-D347 PolarHBondContact O-N 3.18Å; C345-E348 PolarHBondContact O-N 3.05Å
346	P	75.2	Confident	77.6	Confident	43 Å²	43	59.8 Å²	59.8	28%	0.279	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-53.1	-29.7	178.1	-27	34.6	0	0	0	113.6	E348 L349 P352 N354	P346-E348 VanDerWaalsContact C-N 3.27Å; P346-E348 PolarHBondContact O-N 3.37Å; P346-L349 PolarHBondContact O-N 2.97Å; P346-P352 HydrophobicContact CB-CB 4.08Å; P346-N354 WeakPolarHBondContact CG-OD1 3.5Å
347	D	72.5	Confident	78.5	Confident	157 Å²	157	58.3 Å²	58.3	84%	0.84	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-68.2	-19.5	178.9	-58.2	-32.1	0	0	0	114.3	C345	C345-D347 PolarHBondContact O-N 3.18Å
348	E	74.5	Confident	79	Confident	99 Å²	99	56 Å²	56	46%	0.463	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-86.6	-10	177	-68	-177.5	-158.5	0	0	112.8	R342 V344 C345 P346	R342-E348 IonicContact CZ-OE2 3.03Å; R342-E348 VanDerWaalsContact CZ-OE2 3.25Å; R342-E348 IonicContact NH1-OE1 3.09Å; R342-E348 PolarHBondContact NH1-OE1 2.87Å; R342-E348 IonicContact NH1-OE2 3.71Å; R342-E348 PolarHBondContact NH1-OE2 3.39Å; R342-E348 IonicContact NH2-OE2 3.87Å; R342-E348 PolarHBondContact NH2-OE2 2.75Å; V344-E348 HydrophobicContact CG1-CB 3.69Å; C345-E348 PolarHBondContact O-N 3.05Å; P346-E348 VanDerWaalsContact C-N 3.27Å; P346-E348 PolarHBondContact O-N 3.37Å
349	L	68.7	Low	79.4	Confident	21 Å²	21	56 Å²	56	11%	0.11	30%	0.299	C	S	.	.	S	Bend	trans	-99.1	146.2	-176	-63.7	167.2	0	0	0	110.9	F276 V344 P346 D351 R353 V356	F276-L349 HydrophobicContact CE1-CD2 4.36Å; F276-L349 HydrophobicContact CE2-CD2 4.38Å; F276-L349 HydrophobicContact CZ-CD2 3.87Å; V344-L349 HydrophobicContact CG1-CD1 4.33Å; V344-L349 HydrophobicContact CG1-CD2 3.92Å; V344-L349 HydrophobicContact CG1-CG 3.84Å; P346-L349 PolarHBondContact O-N 2.97Å; L349-D351 VanDerWaalsContact CB-O 3.24Å; L349-D351 WeakPolarHBondContact CB-O 3.47Å; L349-D351 PolarHBondContact O-N 2.98Å; L349-R353 HydrophobicContact CD1-CB 4.42Å; L349-V356 HydrophobicContact CD1-CB 3.81Å; L349-V356 HydrophobicContact CD1-CG1 4Å; L349-V356 HydrophobicContact CD1-CG2 3.57Å; L349-V356 HydrophobicContact CD2-CG1 4.26Å
350	T	65.3	Low	79.7	Confident	108 Å²	108	53.5 Å²	53.5	66%	0.663	29%	0.288	S	S	*	.	S	Bend	trans	-63.8	-34.5	172.4	46.9	0	0	0	0	111.8	F276	F276-T350 HydrophobicContact CE1-CG2 4.37Å
351	D	67.9	Low	79.9	Confident	83 Å²	83	51.5 Å²	51.5	44%	0.444	28%	0.277	S	S	.	.	S	Bend	trans	-112.7	113.7	170.2	-63.9	-34.3	0	0	0	108.2	L349 R353	L349-D351 VanDerWaalsContact CB-O 3.24Å; L349-D351 WeakPolarHBondContact CB-O 3.47Å; L349-D351 PolarHBondContact O-N 2.98Å; D351-R353 PolarHBondContact O-N 3.26Å
352	P	67.1	Low	79.1	Confident	105 Å²	105	55 Å²	55	68%	0.682	29%	0.293	S	S	*	.			trans	-64.9	101.6	-179.8	25.6	-33	0	0	0	109.4	P346	P346-P352 HydrophobicContact CB-CB 4.08Å
353	R	71.1	Confident	78.5	Confident	80 Å²	80	58.6 Å²	58.6	30%	0.302	31%	0.311	S	S	.	.			trans	-116.6	136.6	174.1	-71.6	-176	177	-129.5	-0.7	108.6	W302 L349 D351 V356	W302-R353 VanDerWaalsContact CD1-CZ 3.41Å; L349-R353 HydrophobicContact CD1-CB 4.42Å; D351-R353 PolarHBondContact O-N 3.26Å; R353-V356 HydrophobicContact CB-CG2 3.73Å
354	N	81.4	Confident	77.7	Confident	106 Å²	106	57.9 Å²	57.9	57%	0.567	32%	0.319	S	S	*	.	S	Bend	trans	-78.6	158.8	172.5	-61.8	-17.3	0	0	0	109.6	P346 V356	P346-N354 WeakPolarHBondContact CG-OD1 3.5Å; N354-V356 PolarHBondContact O-N 3.08Å
355	N	84.1	Confident	77.4	Confident	32 Å²	32	61.1 Å²	61.1	17%	0.171	34%	0.336	C	S	.	.	S	Bend	trans	64.2	34.9	171.1	-46.8	-30.3	0	0	0	114.4	Q370 S371 S372 D373 E374 A377	N355-Q370 WeakPolarHBondContact O-CA 3.23Å; N355-S371 PolarHBondContact O-N 3.33Å; N355-S372 PolarHBondContact ND2-O 2.69Å; N355-D373 VanDerWaalsContact CG-C 3.49Å; N355-D373 VanDerWaalsContact ND2-C 3.29Å; N355-D373 WeakPolarHBondContact ND2-CA 3.3Å; N355-E374 PolarHBondContact ND2-N 3.34Å; N355-E374 WeakPolarHBondContact OD1-CA 3.38Å; N355-E374 WeakPolarHBondContact OD1-CB 3.23Å; N355-E374 PolarHBondContact OD1-N 3.22Å; N355-A377 HydrophobicContact CB-CB 4.27Å
356	V	88.6	Confident	77.8	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	122.3	179.4	179.2	0	0	0	0	110.7	W302 L343 V344 L349 R353 N354 I368 F369 Q370	W302-V356 HydrophobicContact CH2-CG1 4.24Å; W302-V356 HydrophobicContact CH2-CG2 4.4Å; L343-V356 CarbonylContact C-O 3.55Å; L343-V356 WeakPolarHBondContact CA-O 3.28Å; L343-V356 WeakPolarHBondContact CD1-O 3.36Å; V344-V356 HydrophobicContact CB-CB 4.36Å; V344-V356 HydrophobicContact CB-CG1 4.22Å; V344-V356 HydrophobicContact CG2-CG1 4.41Å; V344-V356 PolarHBondContact N-O 2.86Å; L349-V356 HydrophobicContact CD1-CB 3.81Å; L349-V356 HydrophobicContact CD1-CG1 4Å; L349-V356 HydrophobicContact CD1-CG2 3.57Å; L349-V356 HydrophobicContact CD2-CG1 4.26Å; R353-V356 HydrophobicContact CB-CG2 3.73Å; N354-V356 PolarHBondContact O-N 3.08Å; V356-I368 HydrophobicContact CG1-CG2 3.34Å; V356-F369 CarbonylContact C-O 3.31Å; V356-F369 WeakPolarHBondContact CA-O 3.48Å; V356-Q370 HydrophobicContact CG2-CB 4.21Å; V356-Q370 HydrophobicContact CG2-CG 4.35Å
357	L	90.2	Very high	78.3	Confident	5 Å²	5	59.7 Å²	59.7	3%	0.026	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	131.1	176.4	-56.2	95.2	0	0	0	110.4	I368 F369 S371 A377 W380 I381	L357-I368 WeakPolarHBondContact O-CA 3.2Å; L357-F369 HydrophobicContact CB-CB 4.49Å; L357-F369 PolarHBondContact N-O 2.93Å; L357-F369 PolarHBondContact O-N 3.31Å; L357-S371 WeakPolarHBondContact CD1-OG 3.27Å; L357-A377 HydrophobicContact CD1-CB 3.94Å; L357-A377 HydrophobicContact CD2-CB 4.43Å; L357-A377 WeakPolarHBondContact CD2-O 3.3Å; L357-A377 HydrophobicContact CG-CB 4.24Å; L357-W380 HydrophobicContact CD2-CB 3.61Å; L357-I381 HydrophobicContact CD2-CD1 4.32Å; L357-I381 HydrophobicContact CD2-CG1 3.65Å; L357-I381 HydrophobicContact CG-CG1 4.49Å
358	L	89.7	Confident	79.1	Confident	7 Å²	7	52.7 Å²	52.7	4%	0.037	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	123.9	170.4	176.8	66.9	0	0	0	109.5	V341 R342 V344 K360 Q366 I368	V341-L358 WeakPolarHBondContact CA-O 3.46Å; R342-L358 HydrophobicContact CG-CB 4.24Å; R342-L358 HydrophobicContact CG-CD2 4.36Å; R342-L358 PolarHBondContact N-O 2.75Å; R342-L358 VanDerWaalsContact N-O 3.12Å; R342-L358 PolarHBondContact O-N 2.95Å; V344-L358 HydrophobicContact CG2-CB 3.4Å; V344-L358 VanDerWaalsContact CG2-CB 3.4Å; V344-L358 HydrophobicContact CG2-CD2 4.18Å; V344-L358 HydrophobicContact CG2-CG 4.4Å; L358-K360 HydrophobicContact CD1-CG 4.15Å; L358-K360 HydrophobicContact CD2-CD 4.31Å; L358-K360 HydrophobicContact CD2-CG 4.2Å; L358-K360 HydrophobicContact CG-CG 3.9Å; L358-Q366 HydrophobicContact CD1-CB 4.14Å; L358-I368 HydrophobicContact CD1-CD1 4.19Å; L358-I368 HydrophobicContact CD1-CG1 3.58Å
359	V	89.8	Confident	79.9	Confident	1 Å²	1	48.1 Å²	48.1	1%	0.006	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	111	176.1	-179.5	0	0	0	0	107.7	L333 I338 V341 K367 F369 I384	L333-V359 HydrophobicContact CD1-CG1 4.33Å; I338-V359 HydrophobicContact CD1-CG1 3.76Å; I338-V359 HydrophobicContact CG1-CG1 4.03Å; I338-V359 HydrophobicContact CG2-CG1 3.79Å; V341-V359 HydrophobicContact CG1-CG2 4.47Å; V359-K367 PolarHBondContact N-O 2.96Å; V359-K367 PolarHBondContact O-N 3.37Å; V359-F369 HydrophobicContact CB-CE2 4.33Å; V359-F369 HydrophobicContact CG2-CD2 4.08Å; V359-F369 HydrophobicContact CG2-CE2 4.03Å; V359-I384 HydrophobicContact CG2-CD1 4.35Å
360	K	85.3	Confident	80.9	Confident	21 Å²	21	49 Å²	49	9%	0.091	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	130.7	176.3	-50.4	-168.5	176.7	-173.2	0	110.9	S278 F339 D340 L358 D365 Q366	S278-K360 PolarHBondContact OG-NZ 3.49Å; F339-K360 HydrophobicContact CD1-CB 3.87Å; F339-K360 WeakPolarHBondContact CD1-O 3.4Å; F339-K360 HydrophobicContact CE1-CB 3.24Å; F339-K360 HydrophobicContact CE1-CD 4.18Å; F339-K360 HydrophobicContact CE1-CG 4.35Å; F339-K360 HydrophobicContact CE2-CB 4.43Å; F339-K360 HydrophobicContact CE2-CD 4.44Å; F339-K360 HydrophobicContact CZ-CB 3.57Å; F339-K360 HydrophobicContact CZ-CD 3.66Å; F339-K360 HydrophobicContact CZ-CG 4.26Å; F339-K360 PolarHBondContact N-O 2.78Å; D340-K360 HydrophobicContact CB-CB 4.16Å; D340-K360 HydrophobicContact CB-CD 4.47Å; D340-K360 HydrophobicContact CB-CG 4.35Å; D340-K360 PolarHBondContact N-O 2.89Å; D340-K360 PolarHBondContact O-N 2.88Å; L358-K360 HydrophobicContact CD1-CG 4.15Å; L358-K360 HydrophobicContact CD2-CD 4.31Å; L358-K360 HydrophobicContact CD2-CG 4.2Å; L358-K360 HydrophobicContact CG-CG 3.9Å; K360-D365 WeakPolarHBondContact CA-O 3.07Å; K360-Q366 HydrophobicContact CB-CG 4.33Å; K360-Q366 HydrophobicContact CD-CG 3.97Å; K360-Q366 VanDerWaalsContact CE-CD 3.47Å; K360-Q366 VanDerWaalsContact CE-OE1 3.31Å; K360-Q366 HydrophobicContact CG-CB 4.31Å; K360-Q366 HydrophobicContact CG-CG 3.83Å
361	T	82.8	Confident	82.2	Confident	3 Å²	3	44 Å²	44	2%	0.018	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	156	174.4	75.3	0	0	0	0	111.5	L333 L337 F339 F363 G364 D365	L333-T361 HydrophobicContact CD1-CG2 4.25Å; L333-T361 HydrophobicContact CD2-CG2 3.95Å; L337-T361 CarbonylContact O-C 3.56Å; L337-T361 WeakPolarHBondContact O-CA 3.43Å; F339-T361 WeakPolarHBondContact CD1-O 3.5Å; F339-T361 WeakPolarHBondContact CE1-O 3.39Å; T361-F363 PolarHBondContact O-N 2.91Å; T361-G364 PolarHBondContact O-N 3.49Å; T361-D365 HydrophobicContact CG2-CB 4.31Å; T361-D365 PolarHBondContact N-O 3.34Å; T361-D365 WeakPolarHBondContact OG1-CB 3.47Å; T361-D365 PolarHBondContact OG1-N 3.15Å; T361-D365 PolarHBondContact OG1-O 2.98Å
362	E	72.1	Confident	83.1	Confident	78 Å²	78	43.9 Å²	43.9	36%	0.364	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-18.9	-178.8	63.1	-178.4	-167.1	0	0	113.6	L337 G364	L337-E362 HydrophobicContact CB-CG 4.26Å; L337-E362 HydrophobicContact CD2-CG 4.37Å; L337-E362 WeakPolarHBondContact CD2-OE1 3.49Å; L337-E362 PolarHBondContact O-N 3.46Å; E362-G364 VanDerWaalsContact C-N 3.27Å; E362-G364 PolarHBondContact O-N 3.09Å
363	F	74	Confident	84	Confident	142 Å²	142	43.4 Å²	43.4	62%	0.623	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.3	2.8	176.2	-56.1	-64.4	0	0	0	113.7	L337 T361	L337-F363 HydrophobicContact CD1-CE2 3.99Å; L337-F363 HydrophobicContact CD2-CE2 3.93Å; L337-F363 HydrophobicContact CD2-CZ 4.29Å; L337-F363 HydrophobicContact CG-CE2 4.37Å; T361-F363 PolarHBondContact O-N 2.91Å
364	G	70.5	Confident	84.8	Confident	47 Å²	47	45.2 Å²	45.2	49%	0.485	24%	0.241	S	C	.	.	S	Bend	trans	86.6	1.7	-178	0	0	0	0	0	114.3	T361 E362 Q366	T361-G364 PolarHBondContact O-N 3.49Å; E362-G364 VanDerWaalsContact C-N 3.27Å; E362-G364 PolarHBondContact O-N 3.09Å; G364-Q366 PolarHBondContact O-N 3.37Å
365	D	77.9	Confident	85.1	Confident	76 Å²	76	45.9 Å²	45.9	41%	0.406	24%	0.243	S	C	.	.			trans	-72.4	114.6	175.8	-60.1	-44.8	0	0	0	109.6	K360 T361	K360-D365 WeakPolarHBondContact CA-O 3.07Å; T361-D365 HydrophobicContact CG2-CB 4.31Å; T361-D365 PolarHBondContact N-O 3.34Å; T361-D365 WeakPolarHBondContact OG1-CB 3.47Å; T361-D365 PolarHBondContact OG1-N 3.15Å; T361-D365 PolarHBondContact OG1-O 2.98Å
366	Q	84.3	Confident	85.4	Confident	35 Å²	35	45.7 Å²	45.7	16%	0.164	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	125.1	176.1	-51.7	-171.3	18.4	0	0	109.6	H275 L358 K360 G364	H275-Q366 PolarHBondContact CE1-O 2.88Å; H275-Q366 PolarHBondContact ND1-O 3.26Å; H275-Q366 VanDerWaalsContact ND1-O 3.1Å; L358-Q366 HydrophobicContact CD1-CB 4.14Å; K360-Q366 HydrophobicContact CB-CG 4.33Å; K360-Q366 HydrophobicContact CD-CG 3.97Å; K360-Q366 VanDerWaalsContact CE-CD 3.47Å; K360-Q366 VanDerWaalsContact CE-OE1 3.31Å; K360-Q366 HydrophobicContact CG-CB 4.31Å; K360-Q366 HydrophobicContact CG-CG 3.83Å; G364-Q366 PolarHBondContact O-N 3.37Å
367	K	86.3	Confident	85.5	Confident	48 Å²	48	45.7 Å²	45.7	21%	0.209	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	136.5	174.7	-58.5	-57.3	-175.5	176.6	0	109.4	Y331 L333 V359 F369	Y331-K367 HydrophobicContact CE2-CD 4.26Å; Y331-K367 HydrophobicContact CE2-CG 4.24Å; Y331-K367 VanDerWaalsContact OH-CD 3.23Å; Y331-K367 WeakPolarHBondContact OH-CD 3.3Å; Y331-K367 WeakPolarHBondContact OH-CE 3.42Å; L333-K367 HydrophobicContact CD1-CG 4.14Å; V359-K367 PolarHBondContact N-O 2.96Å; V359-K367 PolarHBondContact O-N 3.37Å; K367-F369 HydrophobicContact CB-CE2 3.65Å; K367-F369 HydrophobicContact CB-CZ 3.74Å
368	I	89.9	Confident	85.4	Confident	10 Å²	10	48.7 Å²	48.7	5%	0.051	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	128.5	-176.9	-59.5	171.5	0	0	0	108	Q270 W271 F276 W302 V356 L357 L358	Q270-I368 WeakPolarHBondContact CA-O 3.45Å; W271-I368 HydrophobicContact CB-CB 3.96Å; W271-I368 HydrophobicContact CB-CG2 4.34Å; W271-I368 PolarHBondContact N-O 3.12Å; F276-I368 HydrophobicContact CD2-CD1 3.18Å; F276-I368 HydrophobicContact CE2-CD1 3.25Å; F276-I368 HydrophobicContact CG-CD1 4.36Å; F276-I368 HydrophobicContact CZ-CD1 4.47Å; W302-I368 HydrophobicContact CH2-CG2 3.67Å; W302-I368 HydrophobicContact CZ3-CG2 4.2Å; V356-I368 HydrophobicContact CG1-CG2 3.34Å; L357-I368 WeakPolarHBondContact O-CA 3.2Å; L358-I368 HydrophobicContact CD1-CD1 4.19Å; L358-I368 HydrophobicContact CD1-CG1 3.58Å
369	F	91.3	Very high	85.3	Confident	3 Å²	3	53.1 Å²	53.1	1%	0.013	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	146.8	-179.9	-54.9	-74.9	0	0	0	109.2	V268 M269 Q270 L307 I320 V356 L357 V359 K367	V268-F369 HydrophobicContact CB-CB 4.37Å; V268-F369 HydrophobicContact CG2-CB 4.07Å; V268-F369 HydrophobicContact CG2-CD1 3.75Å; V268-F369 HydrophobicContact CG2-CG 4.23Å; M269-F369 CarbonylContact O-C 3.52Å; M269-F369 VanDerWaalsContact O-CA 3.26Å; M269-F369 WeakPolarHBondContact O-CA 3.33Å; Q270-F369 HydrophobicContact CB-CD1 4.03Å; Q270-F369 HydrophobicContact CB-CE1 4.14Å; Q270-F369 HydrophobicContact CG-CD1 4.16Å; Q270-F369 HydrophobicContact CG-CE1 3.9Å; L307-F369 HydrophobicContact CD1-CD1 4.22Å; L307-F369 HydrophobicContact CD1-CD2 4.42Å; L307-F369 HydrophobicContact CD1-CG 4.17Å; L307-F369 HydrophobicContact CD2-CD1 4.23Å; L307-F369 HydrophobicContact CD2-CE1 3.78Å; L307-F369 HydrophobicContact CD2-CZ 3.98Å; I320-F369 HydrophobicContact CG1-CE1 4.25Å; I320-F369 HydrophobicContact CG1-CZ 3.92Å; I320-F369 HydrophobicContact CG2-CE1 4.27Å; V356-F369 CarbonylContact C-O 3.31Å; V356-F369 WeakPolarHBondContact CA-O 3.48Å; L357-F369 HydrophobicContact CB-CB 4.49Å; L357-F369 PolarHBondContact N-O 2.93Å; L357-F369 PolarHBondContact O-N 3.31Å; V359-F369 HydrophobicContact CB-CE2 4.33Å; V359-F369 HydrophobicContact CG2-CD2 4.08Å; V359-F369 HydrophobicContact CG2-CE2 4.03Å; K367-F369 HydrophobicContact CB-CE2 3.65Å; K367-F369 HydrophobicContact CB-CZ 3.74Å
370	Q	90.4	Very high	85.4	Confident	39 Å²	39	53.1 Å²	53.1	18%	0.182	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	122.6	171	173.2	-171.1	20.5	0	0	107.9	V268 M269 W302 N355 V356	V268-Q370 CarbonylContact C-O 3.59Å; V268-Q370 WeakPolarHBondContact CA-O 3.28Å; V268-Q370 WeakPolarHBondContact CB-O 3.49Å; M269-Q370 HydrophobicContact CB-CB 4.14Å; M269-Q370 PolarHBondContact N-O 2.83Å; M269-Q370 PolarHBondContact O-N 3.02Å; W302-Q370 HydrophobicContact CE3-CB 4.36Å; W302-Q370 HydrophobicContact CH2-CB 4.24Å; W302-Q370 HydrophobicContact CZ3-CB 3.85Å; N355-Q370 WeakPolarHBondContact O-CA 3.23Å; V356-Q370 HydrophobicContact CG2-CB 4.21Å; V356-Q370 HydrophobicContact CG2-CG 4.35Å
371	S	90.9	Very high	85.5	Confident	4 Å²	4	52.4 Å²	52.4	3%	0.028	28%	0.276	C	S	.	.			trans	-83.5	163.2	173.7	-86.6	0	0	0	0	111.5	N355 L357 D376	N355-S371 PolarHBondContact O-N 3.33Å; L357-S371 WeakPolarHBondContact CD1-OG 3.27Å; S371-D376 WeakPolarHBondContact CB-OD2 3.25Å; S371-D376 PolarHBondContact OG-OD2 2.85Å
372	S	87.4	Confident	85.8	Confident	80 Å²	80	56.7 Å²	56.7	56%	0.559	30%	0.302	S	S	*	.	S	Bend	trans	-62.6	-48.4	175.3	60.6	0	0	0	0	111.1	N355	N355-S372 PolarHBondContact ND2-O 2.69Å
373	D	86.5	Confident	86.5	Confident	94 Å²	94	53.6 Å²	53.6	50%	0.503	29%	0.29	S	S	.	.	S	Bend	trans	-132.8	160.7	-170.2	-57.5	-65.8	0	0	0	111.3	N355 I375 D376 A377	N355-D373 VanDerWaalsContact CG-C 3.49Å; N355-D373 VanDerWaalsContact ND2-C 3.29Å; N355-D373 WeakPolarHBondContact ND2-CA 3.3Å; D373-I375 PolarHBondContact O-N 2.72Å; D373-D376 PolarHBondContact O-N 2.87Å; D373-A377 PolarHBondContact O-N 3.05Å
374	E	87	Confident	87.1	Confident	118 Å²	118	47 Å²	47	55%	0.551	26%	0.261	S	S	*	.	H	α-helix	trans	-62.4	-35.3	176.2	-172.7	-178.2	171.7	0	0	111.1	N355 A377 N378	N355-E374 PolarHBondContact ND2-N 3.34Å; N355-E374 WeakPolarHBondContact OD1-CA 3.38Å; N355-E374 WeakPolarHBondContact OD1-CB 3.23Å; N355-E374 PolarHBondContact OD1-N 3.22Å; E374-A377 PolarHBondContact O-N 2.79Å; E374-N378 WeakPolarHBondContact O-CB 3.15Å; E374-N378 VanDerWaalsContact O-CG 3.3Å; E374-N378 PolarHBondContact O-N 2.85Å; E374-N378 PolarHBondContact O-ND2 3.42Å; E374-N378 VanDerWaalsContact O-ND2 3.11Å
375	I	88.4	Confident	87.7	Confident	120 Å²	120	49.2 Å²	49.2	62%	0.615	26%	0.255	S	S	*	.	H	α-helix	trans	-63	-48.9	175.8	-57.9	171.9	0	0	0	109.8	D373 A377 N378 E379	D373-I375 PolarHBondContact O-N 2.72Å; I375-A377 VanDerWaalsContact C-N 3.33Å; I375-A377 PolarHBondContact O-N 3.18Å; I375-N378 PolarHBondContact O-N 3.19Å; I375-E379 HydrophobicContact CG2-CG 4.49Å; I375-E379 WeakPolarHBondContact O-CB 3.35Å; I375-E379 WeakPolarHBondContact O-CG 3.45Å; I375-E379 PolarHBondContact O-N 3.49Å
376	D	91	Very high	87.6	Confident	28 Å²	28	48.6 Å²	48.6	15%	0.15	26%	0.256	C	S	.	.	H	α-helix	trans	-62.3	-41.2	178.6	-179.7	56	0	0	0	111.8	R264 S371 D373 E379 W380	R264-D376 IonicContact CZ-OD1 3.18Å; R264-D376 PolarHBondContact NH1-O 3.27Å; R264-D376 VanDerWaalsContact NH1-O 3.14Å; R264-D376 IonicContact NH1-OD1 2.66Å; R264-D376 PolarHBondContact NH1-OD1 3.06Å; R264-D376 IonicContact NH2-OD1 2.61Å; R264-D376 PolarHBondContact NH2-OD1 2.94Å; S371-D376 WeakPolarHBondContact CB-OD2 3.25Å; S371-D376 PolarHBondContact OG-OD2 2.85Å; D373-D376 PolarHBondContact O-N 2.87Å; D376-E379 PolarHBondContact O-N 2.91Å; D376-W380 PolarHBondContact O-N 3.05Å; D376-W380 PolarHBondContact OD1-NE1 2.93Å; D376-W380 VanDerWaalsContact OD2-CD1 3.3Å; D376-W380 PolarHBondContact OD2-NE1 3.17Å
377	A	89.2	Confident	86.8	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-60.6	-47.3	174.4	0	0	0	0	0	111.4	L343 N355 L357 D373 E374 I375 E379 W380 I381	L343-A377 HydrophobicContact CD1-CB 3.92Å; N355-A377 HydrophobicContact CB-CB 4.27Å; L357-A377 HydrophobicContact CD1-CB 3.94Å; L357-A377 HydrophobicContact CD2-CB 4.43Å; L357-A377 WeakPolarHBondContact CD2-O 3.3Å; L357-A377 HydrophobicContact CG-CB 4.24Å; D373-A377 PolarHBondContact O-N 3.05Å; E374-A377 PolarHBondContact O-N 2.79Å; I375-A377 VanDerWaalsContact C-N 3.33Å; I375-A377 PolarHBondContact O-N 3.18Å; A377-E379 VanDerWaalsContact C-N 3.35Å; A377-E379 PolarHBondContact O-N 3.46Å; A377-W380 WeakPolarHBondContact O-CB 3.45Å; A377-W380 PolarHBondContact O-N 3.18Å; A377-W380 VanDerWaalsContact O-N 3.16Å; A377-I381 VanDerWaalsContact O-CG1 3.28Å; A377-I381 WeakPolarHBondContact O-CG1 3.34Å; A377-I381 PolarHBondContact O-N 3.11Å
378	N	88.1	Confident	86	Confident	68 Å²	68	46 Å²	46	36%	0.364	25%	0.249	S	C	.	.	H	α-helix	trans	-65.3	-37.2	178.6	-77.4	-37.3	0	0	0	112.3	E374 I375 W380 I381 T382	E374-N378 WeakPolarHBondContact O-CB 3.15Å; E374-N378 VanDerWaalsContact O-CG 3.3Å; E374-N378 PolarHBondContact O-N 2.85Å; E374-N378 PolarHBondContact O-ND2 3.42Å; E374-N378 VanDerWaalsContact O-ND2 3.11Å; I375-N378 PolarHBondContact O-N 3.19Å; N378-W380 VanDerWaalsContact C-N 3.35Å; N378-I381 PolarHBondContact O-N 3.25Å; N378-T382 VanDerWaalsContact O-CB 3.27Å; N378-T382 WeakPolarHBondContact O-CB 3.38Å; N378-T382 PolarHBondContact O-N 3.16Å; N378-T382 PolarHBondContact O-OG1 3.01Å
379	E	89.1	Confident	84.6	Confident	100 Å²	100	46.3 Å²	46.3	47%	0.467	25%	0.252	S	S	.	.	H	α-helix	trans	-65.9	-36.9	172.4	-74.4	-174.9	-174.7	0	0	111.4	R264 I375 D376 A377 T382 A383	R264-E379 IonicContact CZ-OE2 3.41Å; R264-E379 IonicContact NE-OE2 2.79Å; R264-E379 IonicContact NH2-OE2 3.86Å; R264-E379 PolarHBondContact NH2-OE2 3.39Å; I375-E379 HydrophobicContact CG2-CG 4.49Å; I375-E379 WeakPolarHBondContact O-CB 3.35Å; I375-E379 WeakPolarHBondContact O-CG 3.45Å; I375-E379 PolarHBondContact O-N 3.49Å; D376-E379 PolarHBondContact O-N 2.91Å; A377-E379 VanDerWaalsContact C-N 3.35Å; A377-E379 PolarHBondContact O-N 3.46Å; E379-T382 PolarHBondContact O-N 2.97Å; E379-A383 WeakPolarHBondContact O-CB 3.33Å; E379-A383 PolarHBondContact O-N 3.1Å
380	W	91.1	Very high	82.9	Confident	1 Å²	1	47.3 Å²	47.3	0%	0.004	26%	0.259	C	S	.	.	H	α-helix	trans	-67.7	-45.5	175.6	-87.6	114.5	0	0	0	110.9	R264 L307 L309 L318 L357 D376 A377 N378 T382 A383 I384	R264-W380 HydrophobicContact CB-CH2 4.37Å; R264-W380 HydrophobicContact CB-CZ3 4.33Å; R264-W380 HydrophobicContact CG-CH2 4.2Å; R264-W380 HydrophobicContact CG-CZ2 4.43Å; R264-W380 HydrophobicContact CG-CZ3 4.4Å; R264-W380 VanDerWaalsContact NH1-CA 3.3Å; R264-W380 VanDerWaalsContact NH1-CD2 3.35Å; L307-W380 HydrophobicContact CB-CH2 3.39Å; L307-W380 HydrophobicContact CB-CZ2 3.68Å; L307-W380 HydrophobicContact CB-CZ3 3.93Å; L307-W380 HydrophobicContact CD1-CD2 4.37Å; L307-W380 HydrophobicContact CD1-CE3 4.41Å; L307-W380 HydrophobicContact CD1-CH2 4.45Å; L307-W380 HydrophobicContact CD1-CZ2 4.39Å; L307-W380 HydrophobicContact CD1-CZ3 4.44Å; L307-W380 WeakPolarHBondContact O-CH2 2.91Å; L309-W380 HydrophobicContact CB-CZ3 4.22Å; L318-W380 HydrophobicContact CD1-CZ3 4.09Å; L357-W380 HydrophobicContact CD2-CB 3.61Å; D376-W380 PolarHBondContact O-N 3.05Å; D376-W380 PolarHBondContact OD1-NE1 2.93Å; D376-W380 VanDerWaalsContact OD2-CD1 3.3Å; D376-W380 PolarHBondContact OD2-NE1 3.17Å; A377-W380 WeakPolarHBondContact O-CB 3.45Å; A377-W380 PolarHBondContact O-N 3.18Å; A377-W380 VanDerWaalsContact O-N 3.16Å; N378-W380 VanDerWaalsContact C-N 3.35Å; W380-T382 VanDerWaalsContact C-N 3.29Å; W380-T382 PolarHBondContact O-N 2.85Å; W380-A383 PolarHBondContact O-N 3.26Å; W380-I384 HydrophobicContact CE3-CD1 4.48Å; W380-I384 WeakPolarHBondContact O-CB 3.25Å; W380-I384 VanDerWaalsContact O-CG1 3.22Å; W380-I384 WeakPolarHBondContact O-CG1 3.43Å; W380-I384 PolarHBondContact O-N 2.97Å
381	I	88.6	Confident	80.9	Confident	6 Å²	6	47.2 Å²	47.2	3%	0.031	26%	0.259	C	S	.	.	H	α-helix	trans	-57.7	-46.8	174.2	-69.1	172.7	0	0	0	109.5	V341 L343 L357 A377 N378 R385	V341-I381 HydrophobicContact CG1-CG1 4.26Å; L343-I381 HydrophobicContact CB-CD1 4.03Å; L343-I381 HydrophobicContact CD1-CD1 4.29Å; L357-I381 HydrophobicContact CD2-CD1 4.32Å; L357-I381 HydrophobicContact CD2-CG1 3.65Å; L357-I381 HydrophobicContact CG-CG1 4.49Å; A377-I381 VanDerWaalsContact O-CG1 3.28Å; A377-I381 WeakPolarHBondContact O-CG1 3.34Å; A377-I381 PolarHBondContact O-N 3.11Å; N378-I381 PolarHBondContact O-N 3.25Å; I381-R385 HydrophobicContact CG2-CG 4.2Å; I381-R385 VanDerWaalsContact CG2-NE 3.29Å; I381-R385 WeakPolarHBondContact O-CB 3.37Å; I381-R385 WeakPolarHBondContact O-CG 3.47Å; I381-R385 PolarHBondContact O-N 3.43Å
382	T	87.3	Confident	78.9	Confident	94 Å²	94	51 Å²	51	58%	0.577	27%	0.273	S	S	*	.	H	α-helix	trans	-65.2	-44.3	-179.6	-58.9	0	0	0	0	111.6	N378 E379 W380 R385 S386	N378-T382 VanDerWaalsContact O-CB 3.27Å; N378-T382 WeakPolarHBondContact O-CB 3.38Å; N378-T382 PolarHBondContact O-N 3.16Å; N378-T382 PolarHBondContact O-OG1 3.01Å; E379-T382 PolarHBondContact O-N 2.97Å; W380-T382 VanDerWaalsContact C-N 3.29Å; W380-T382 PolarHBondContact O-N 2.85Å; T382-R385 PolarHBondContact O-N 2.96Å; T382-S386 WeakPolarHBondContact O-CB 3.23Å; T382-S386 PolarHBondContact O-N 3.39Å
383	A	87.4	Confident	77.2	Confident	13 Å²	13	55.1 Å²	55.1	11%	0.107	28%	0.276	C	S	.	.	H	α-helix	trans	-64.3	-46.7	178.1	0	0	0	0	0	111.6	L309 E379 W380 S386	L309-A383 HydrophobicContact CD2-CB 3.74Å; L309-A383 WeakPolarHBondContact CD2-O 3.28Å; E379-A383 WeakPolarHBondContact O-CB 3.33Å; E379-A383 PolarHBondContact O-N 3.1Å; W380-A383 PolarHBondContact O-N 3.26Å; A383-S386 WeakPolarHBondContact O-CB 3.37Å; A383-S386 PolarHBondContact O-N 2.99Å; A383-S386 PolarHBondContact O-OG 2.81Å
384	I	87.4	Confident	75.1	Confident	3 Å²	3	57.2 Å²	57.2	2%	0.015	29%	0.287	C	S	.	.	H	α-helix	trans	-65.3	-44.7	176.4	-62.4	166	0	0	0	110.1	L318 I338 V341 V359 W380 S386 G387 L388	L318-I384 HydrophobicContact CD2-CD1 4.18Å; I338-I384 HydrophobicContact CD1-CG2 3.85Å; V341-I384 HydrophobicContact CG2-CG2 3.81Å; V359-I384 HydrophobicContact CG2-CD1 4.35Å; W380-I384 HydrophobicContact CE3-CD1 4.48Å; W380-I384 WeakPolarHBondContact O-CB 3.25Å; W380-I384 VanDerWaalsContact O-CG1 3.22Å; W380-I384 WeakPolarHBondContact O-CG1 3.43Å; W380-I384 PolarHBondContact O-N 2.97Å; I384-S386 PolarHBondContact O-N 3.41Å; I384-G387 CarbonylContact O-C 3.56Å; I384-G387 WeakPolarHBondContact O-CA 3.31Å; I384-G387 PolarHBondContact O-N 2.88Å; I384-L388 WeakPolarHBondContact O-CG 3.16Å; I384-L388 PolarHBondContact O-N 3.26Å; I384-L388 VanDerWaalsContact O-N 3.16Å
385	R	83.3	Confident	72.7	Confident	94 Å²	94	56.2 Å²	56.2	36%	0.355	29%	0.291	S	S	.	.	H	α-helix	trans	-61.7	-27.6	175.9	-75.8	179.6	-178.9	169.1	2.5	113.3	V341 I381 T382 G387 L388	V341-R385 PolarHBondContact O-NH2 3.17Å; I381-R385 HydrophobicContact CG2-CG 4.2Å; I381-R385 VanDerWaalsContact CG2-NE 3.29Å; I381-R385 WeakPolarHBondContact O-CB 3.37Å; I381-R385 WeakPolarHBondContact O-CG 3.47Å; I381-R385 PolarHBondContact O-N 3.43Å; T382-R385 PolarHBondContact O-N 2.96Å; R385-G387 PolarHBondContact O-N 3.35Å; R385-L388 HydrophobicContact CB-CD1 4.49Å; R385-L388 HydrophobicContact CG-CD1 3.99Å; R385-L388 PolarHBondContact O-N 3.28Å
386	S	75.1	Confident	70.1	Confident	63 Å²	63	56.6 Å²	56.6	44%	0.441	30%	0.299	S	S	.	.	H	α-helix	trans	-65	-28.8	173.5	81.9	0	0	0	0	112.3	T382 A383 I384	T382-S386 WeakPolarHBondContact O-CB 3.23Å; T382-S386 PolarHBondContact O-N 3.39Å; A383-S386 WeakPolarHBondContact O-CB 3.37Å; A383-S386 PolarHBondContact O-N 2.99Å; A383-S386 PolarHBondContact O-OG 2.81Å; I384-S386 PolarHBondContact O-N 3.41Å
387	G	67.1	Low	67.1	Low	14 Å²	14	59 Å²	59	14%	0.144	32%	0.318	C	S	.	.	H	α-helix	trans	-93.1	-6.6	174.1	0	0	0	0	0	115.5	I384 R385	I384-G387 CarbonylContact O-C 3.56Å; I384-G387 WeakPolarHBondContact O-CA 3.31Å; I384-G387 PolarHBondContact O-N 2.88Å; R385-G387 PolarHBondContact O-N 3.35Å
388	L	70.1	Confident	64.1	Low	15 Å²	15	65.1 Å²	65.1	8%	0.079	36%	0.358	C	S	.	.	S	Bend	trans	-75.6	142.1	170	-60.1	-176.4	0	0	0	109.3	C335 I338 V341 I384 R385	C335-L388 WeakPolarHBondContact O-CD2 3.32Å; I338-L388 HydrophobicContact CB-CD2 3.77Å; I338-L388 HydrophobicContact CG2-CD2 4.1Å; V341-L388 HydrophobicContact CG2-CD1 4.15Å; I384-L388 WeakPolarHBondContact O-CG 3.16Å; I384-L388 PolarHBondContact O-N 3.26Å; I384-L388 VanDerWaalsContact O-N 3.16Å; R385-L388 HydrophobicContact CB-CD1 4.49Å; R385-L388 HydrophobicContact CG-CD1 3.99Å; R385-L388 PolarHBondContact O-N 3.28Å
389	P	59.8	Low	61.3	Low	16 Å²	16	70.7 Å²	70.7	10%	0.104	38%	0.378	C	S	.	.			trans	-53.2	134.7	170.1	-26.1	36.2	0	0	0	111	L391 R392 Y639 R817	P389-L391 PolarHBondContact O-N 2.93Å; P389-R392 PolarHBondContact O-N 3.49Å; P389-Y639 HydrophobicContact CB-CE1 4.08Å; P389-R817 HydrophobicContact CB-CB 4.39Å; P389-R817 WeakPolarHBondContact CB-O 3.44Å; P389-R817 HydrophobicContact CG-CB 3.97Å; P389-R817 WeakPolarHBondContact CG-O 3.38Å
390	P	55.3	Low	58.2	Low	24 Å²	24	70.8 Å²	70.8	16%	0.156	39%	0.389	C	S	.	.	G	3₁₀ helix	trans	-65.9	-1.6	-164.1	24.3	-35.7	0	0	0	116.1	R392 I638 Y639	P390-R392 VanDerWaalsContact C-N 3.26Å; P390-R392 PolarHBondContact O-N 3.05Å; P390-I638 HydrophobicContact CG-CB 4.26Å; P390-I638 HydrophobicContact CG-CD1 3.54Å; P390-I638 HydrophobicContact CG-CG1 4.25Å; P390-I638 HydrophobicContact CG-CG2 3.38Å; P390-Y639 WeakPolarHBondContact CD-OH 3.01Å; P390-Y639 HydrophobicContact CG-CE2 4.39Å
391	L	48.7	Very low	55.2	Low	37 Å²	37	78.9 Å²	78.9	19%	0.194	43%	0.433	C	S	.	.	G	3₁₀ helix	trans	-88.8	15.5	174	-67.3	173.1	0	0	0	113.5	P389 L636 Y639 I749 V750	P389-L391 PolarHBondContact O-N 2.93Å; L391-L636 HydrophobicContact CD1-CD2 4.26Å; L391-Y639 HydrophobicContact CB-CE2 4.46Å; L391-Y639 VanDerWaalsContact CB-OH 3.23Å; L391-Y639 WeakPolarHBondContact CB-OH 3.43Å; L391-Y639 HydrophobicContact CD1-CD2 3.98Å; L391-Y639 HydrophobicContact CD1-CE1 4.39Å; L391-Y639 HydrophobicContact CD1-CE2 3.17Å; L391-Y639 VanDerWaalsContact CD1-CZ 3.43Å; L391-Y639 WeakPolarHBondContact CD1-OH 2.96Å; L391-Y639 HydrophobicContact CG-CE2 3.48Å; L391-Y639 VanDerWaalsContact CG-CE2 3.48Å; L391-Y639 WeakPolarHBondContact CG-OH 3.39Å; L391-Y639 PolarHBondContact N-OH 3.47Å; L391-I749 HydrophobicContact CD1-CG2 3.72Å; L391-V750 HydrophobicContact CB-CG2 4.2Å; L391-V750 HydrophobicContact CD1-CB 4.39Å; L391-V750 HydrophobicContact CD1-CG2 3.34Å; L391-V750 HydrophobicContact CG-CG2 4.39Å
392	R	50.2	Low	52.4	Low	84 Å²	84	85.6 Å²	85.6	32%	0.317	47%	0.467	S	S	.	.	G	3₁₀ helix	trans	-120.4	11.2	166.8	-74.9	-144.7	171.5	113.7	-13.9	114.4	F339 P389 P390 N394 R817	F339-R392 WeakPolarHBondContact O-CD 3.43Å; F339-R392 VanDerWaalsContact O-CZ 3.27Å; F339-R392 PolarHBondContact O-NE 2.71Å; F339-R392 PolarHBondContact O-NH1 3.44Å; P389-R392 PolarHBondContact O-N 3.49Å; P390-R392 VanDerWaalsContact C-N 3.26Å; P390-R392 PolarHBondContact O-N 3.05Å; R392-N394 PolarHBondContact O-N 3.41Å; R392-R817 VanDerWaalsContact NH2-NH1 3.13Å; R392-R817 VanDerWaalsContact NH2-NH2 3.18Å
393	R	50.2	Low	49.6	Very low	165 Å²	165	89.3 Å²	89.3	62%	0.623	48%	0.478	S	S	*	.			trans	-74	80.4	159.8	-66.4	-176.7	-174.6	175.4	1.5	106.2	P395	R393-P395 VanDerWaalsContact O-CD 3.3Å; R393-P395 WeakPolarHBondContact O-CD 3.19Å
394	N	42.1	Very low	46.8	Very low	138 Å²	138	95 Å²	95	74%	0.738	51%	0.514	S	S	*	.			trans	-49.4	116.3	159.2	-151.7	-13.2	0	0	0	104.1	R392 V396	R392-N394 PolarHBondContact O-N 3.41Å; N394-V396 PolarHBondContact O-N 2.83Å
395	P	37.6	Very low	44	Very low	98 Å²	98	97.6 Å²	97.6	64%	0.636	54%	0.541	S	S	*	.			trans	-51.6	125.1	170.7	22	-29.4	0	0	0	103.9	R393 S397	R393-P395 VanDerWaalsContact O-CD 3.3Å; R393-P395 WeakPolarHBondContact O-CD 3.19Å; P395-S397 VanDerWaalsContact C-N 3.3Å; P395-S397 PolarHBondContact O-N 2.82Å
396	V	33.5	Very low	41.6	Very low	127 Å²	127	105.4 Å²	105.4	77%	0.77	57%	0.571	S	S	*	*			trans	-45.5	110.1	170.4	172.9	0	0	0	0	104.1	N394 P398	N394-V396 PolarHBondContact O-N 2.83Å; V396-P398 WeakPolarHBondContact O-CD 3.42Å
397	S	28.5	Very low	39.5	Very low	80 Å²	80	110 Å²	110	56%	0.559	59%	0.588	S	S	*	*			trans	-51.3	122.6	173	52.9	0	0	0	0	104.1	P395 K399	P395-S397 VanDerWaalsContact C-N 3.3Å; P395-S397 PolarHBondContact O-N 2.82Å; S397-K399 PolarHBondContact O-N 3.42Å
398	P	26.6	Very low	37.7	Very low	128 Å²	128	114.9 Å²	114.9	83%	0.831	62%	0.616	S	S	*	*			trans	-70.9	79.7	173.2	29.9	-30	0	0	0	105	V396 C400	V396-P398 WeakPolarHBondContact O-CD 3.42Å; P398-C400 PolarHBondContact O-N 2.82Å
399	K	27.6	Very low	35.9	Very low	184 Å²	184	119.9 Å²	119.9	80%	0.8	65%	0.647	S	S	*	*			trans	-100.1	82.4	170.2	-128	178.4	-175.8	174.9	0	104.9	S397	S397-K399 PolarHBondContact O-N 3.42Å
400	C	25.9	Very low	34.4	Very low	103 Å²	103	126.6 Å²	126.6	70%	0.696	68%	0.681	S	S	*	*			trans	164.8	98.2	143	-83.1	0	0	0	0	105.7	P398 I402	P398-C400 PolarHBondContact O-N 2.82Å; C400-I402 HydrophobicContact CB-CG1 4.1Å; C400-I402 PolarHBondContact O-N 3.49Å
401	D	27.5	Very low	33.2	Very low	171 Å²	171	130.8 Å²	130.8	91%	0.914	71%	0.706	S	S	*	*			trans	-54.2	95.7	153.7	-76.5	-50.3	0	0	0	106.9	E403	D401-E403 PolarHBondContact O-N 2.7Å
402	I	30	Very low	32.3	Very low	147 Å²	147	139.8 Å²	139.8	75%	0.754	74%	0.737	S	S	*	*			trans	-88.1	94.7	166.2	-61.8	174.4	0	0	0	104.3	C400	C400-I402 HydrophobicContact CB-CG1 4.1Å; C400-I402 PolarHBondContact O-N 3.49Å
403	E	28.6	Very low	31.2	Very low	172 Å²	172	141 Å²	141	80%	0.804	76%	0.759	S	S	*	*			trans	-49.6	130.8	159.6	-89.6	-140.4	146	0	0	108.6	D401 G405	D401-E403 PolarHBondContact O-N 2.7Å; E403-G405 VanDerWaalsContact C-N 3.34Å; E403-G405 PolarHBondContact O-N 3.13Å
404	P	28.4	Very low	30.4	Very low	132 Å²	132	142 Å²	142	86%	0.857	77%	0.771	S	S	*	*	S	Bend	trans	-78.6	88.1	-175	32.6	-31.7	0	0	0	108.5
405	G	28.6	Very low	29.8	Very low	58 Å²	58	146.4 Å²	146.4	60%	0.598	78%	0.777	S	S	*	*			trans	170.8	74.2	175.8	0	0	0	0	0	115.4	E403	E403-G405 VanDerWaalsContact C-N 3.34Å; E403-G405 PolarHBondContact O-N 3.13Å
406	R	32.3	Very low	29.2	Very low	258 Å²	258	148.1 Å²	148.1	97%	0.974	79%	0.789	S	S	*	*				177.6	131.3	126.7	-98.1	161.7	-174.7	-172	2.4	112.3
407	I	30.2	Very low	29.1	Very low	158 Å²	158	147.7 Å²	147.7	81%	0.81	79%	0.787	S	S	*	*			trans	-84.3	145.4	-179.9	-78.8	163.5	0	0	0	108.7
408	V	30.5	Very low	29.3	Very low	118 Å²	118	151.3 Å²	151.3	72%	0.715	80%	0.801	S	S	*	*			trans	79.9	129.8	163.9	-134.3	0	0	0	0	122.1
409	T	32.2	Very low	29.4	Very low	119 Å²	119	149.8 Å²	149.8	73%	0.73	79%	0.792	S	S	*	*			trans	87.3	95.4	139.2	19	0	0	0	0	120.5
410	L	27.7	Very low	29.6	Very low	158 Å²	158	147.9 Å²	147.9	83%	0.827	79%	0.79	S	S	*	*				45.8	130.4	115.4	-150.9	79.4	0	0	0	119.3
411	V	31.2	Very low	30	Very low	111 Å²	111	147 Å²	147	67%	0.673	79%	0.79	S	S	*	*			trans	118.2	109.8	144.8	-174.4	0	0	0	0	116.1
412	R	28.2	Very low	30.2	Very low	226 Å²	226	145.7 Å²	145.7	85%	0.853	78%	0.782	S	S	*	*			trans	48.7	113.6	145.8	-72.4	172.7	145.5	85.3	-0.2	118.7
413	S	27	Very low	30.2	Very low	110 Å²	110	145.5 Å²	145.5	77%	0.769	78%	0.781	S	S	*	*				69.5	109.3	90	-162	0	0	0	0	113.1
414	E	33.2	Very low	30.3	Very low	187 Å²	187	143.7 Å²	143.7	87%	0.874	78%	0.777	S	S	*	*			trans	-175.2	119	135	-100	171.3	-148.8	0	0	113.6
415	R	30.4	Very low	30.5	Very low	229 Å²	229	141.8 Å²	141.8	86%	0.864	77%	0.767	S	S	*	*			trans	35.3	117.7	150.1	-74.4	175.8	-174.8	163.4	3.7	121.8
416	C	24.3	Very low	30.6	Very low	134 Å²	134	144.1 Å²	144.1	91%	0.905	77%	0.774	S	S	*	*			trans	-80.8	130.8	146.4	-66.3	0	0	0	0	110.9
417	T	31.3	Very low	30.7	Very low	118 Å²	118	137 Å²	137	72%	0.724	76%	0.764	S	S	*	*			trans	-137.1	93.3	164	49.8	0	0	0	0	109.1
418	N	34.3	Very low	30.7	Very low	157 Å²	157	138.9 Å²	138.9	84%	0.84	77%	0.766	S	S	*	*				-179.1	114.6	128.9	-111.6	-13.9	0	0	0	111
419	C	28.5	Very low	30.8	Very low	96 Å²	96	138 Å²	138	65%	0.649	77%	0.765	S	S	*	*			trans	-60.6	170.4	145.8	60.1	0	0	0	0	109
420	D	30.6	Very low	30.9	Very low	144 Å²	144	138.5 Å²	138.5	77%	0.77	77%	0.768	S	S	*	*			cis	-174.2	167.9	29.5	-114.1	-41	0	0	0	106.5
421	A	34.3	Very low	31	Very low	83 Å²	83	135.6 Å²	135.6	69%	0.686	76%	0.761	S	S	*	*			trans	74.5	149.9	149.6	0	0	0	0	0	118.8
422	I	32.5	Very low	31.1	Very low	145 Å²	145	137.1 Å²	137.1	74%	0.744	77%	0.765	S	S	*	*			cis	-168.6	161.4	-6.7	-103.3	165.1	0	0	0	103.9
423	L	30.9	Very low	31.4	Very low	142 Å²	142	132.1 Å²	132.1	74%	0.743	76%	0.76	S	S	*	*			trans	-14	146.6	161	-62	111.9	0	0	0	116.3
424	D	30.2	Very low	31.7	Very low	135 Å²	135	134.4 Å²	134.4	72%	0.722	76%	0.763	S	S	*	*				175	158.2	59.4	-143.6	-31.1	0	0	0	110.6
425	S	33.2	Very low	31.6	Very low	91 Å²	91	130.2 Å²	130.2	64%	0.636	75%	0.754	S	S	*	*			trans	57.3	113.8	149.1	-11.2	0	0	0	0	123.6
426	S	29.3	Very low	31.8	Very low	107 Å²	107	123.9 Å²	123.9	75%	0.748	75%	0.745	S	S	*	*				43.5	111.7	119.5	-178	0	0	0	0	120.1
427	S	35.2	Very low	32.3	Very low	108 Å²	108	124.2 Å²	124.2	76%	0.755	74%	0.742	S	S	*	*				158.6	133.4	98	51	0	0	0	0	113.6
428	K	30.1	Very low	32.6	Very low	199 Å²	199	123.1 Å²	123.1	87%	0.865	74%	0.737	S	S	*	*			trans	29.7	132.3	145.2	-85.1	173.1	175.8	174.6	0	121.8
429	S	32.9	Very low	32.7	Very low	99 Å²	99	123 Å²	123	69%	0.692	74%	0.736	S	S	*	*				107.5	115.4	124.1	68.1	0	0	0	0	119
430	T	34	Very low	33.2	Very low	130 Å²	130	123.6 Å²	123.6	80%	0.798	74%	0.739	S	S	*	*			trans	72.2	109.3	135.3	54.8	0	0	0	0	118.8
431	S	30.4	Very low	33.8	Very low	97 Å²	97	122 Å²	122	68%	0.678	74%	0.736	S	S	*	*			trans	-52.7	137.3	150.5	51.3	0	0	0	0	111.3
432	D	32.9	Very low	33.9	Very low	142 Å²	142	124.4 Å²	124.4	76%	0.759	74%	0.737	S	S	*	*				168.4	158.1	107.6	-82.8	-37.9	0	0	0	110.7
433	V	34.9	Very low	34.3	Very low	121 Å²	121	125.3 Å²	125.3	73%	0.733	74%	0.736	S	S	*	*			trans	90.1	91.7	156.9	-170.5	0	0	0	0	117.2
434	L	31.7	Very low	34.7	Very low	159 Å²	159	124.6 Å²	124.6	83%	0.832	73%	0.732	S	S	*	*				61.3	130.8	118.5	-73.2	148.8	0	0	0	120.4
435	S	32.5	Very low	35.1	Very low	99 Å²	99	125.3 Å²	125.3	69%	0.692	74%	0.735	S	S	*	*				115.7	100.8	125.2	-151.2	0	0	0	0	116.3
436	S	33.2	Very low	35.1	Very low	96 Å²	96	124.1 Å²	124.1	67%	0.671	73%	0.731	S	S	*	*				74.5	119.5	114.7	-49.5	0	0	0	0	121
437	V	35.1	Very low	35.2	Very low	140 Å²	140	126 Å²	126	85%	0.848	73%	0.732	S	S	*	*				96.6	144.6	120.7	163.2	0	0	0	0	118.1
438	P	38.5	Very low	35.1	Very low	95 Å²	95	128.9 Å²	128.9	62%	0.617	73%	0.734	S	S	*	*				-137.5	-169.3	-127.1	46.3	-30.1	0	0	0	115.9
439	L	35.4	Very low	35.2	Very low	156 Å²	156	125.8 Å²	125.8	82%	0.817	73%	0.726	S	S	*	*			trans	73.7	167.1	149.6	-74.3	179.9	0	0	0	118.4
440	P	38.5	Very low	34.9	Very low	108 Å²	108	125.4 Å²	125.4	70%	0.701	72%	0.723	S	S	*	*			cis	-141.9	-140.2	-27.2	35.2	-10	0	0	0	113.2
441	P	44.5	Very low	34.6	Very low	109 Å²	109	127.1 Å²	127.1	71%	0.708	73%	0.725	S	S	*	*				-128.7	-178.3	-107.5	42	-20.8	0	0	0	114.9
442	N	37	Very low	34.7	Very low	135 Å²	135	125.8 Å²	125.8	72%	0.722	73%	0.727	S	S	*	*			trans	170.7	148.5	156.6	-101.8	-16	0	0	0	109.2
443	K	39.3	Very low	34.6	Very low	163 Å²	163	124.5 Å²	124.5	71%	0.709	73%	0.729	S	S	*	*			cis	178.4	158.9	-9	-128.7	-179.7	-159.7	174.9	0	106.6
444	I	39.9	Very low	34.6	Very low	128 Å²	128	124.9 Å²	124.9	66%	0.656	73%	0.727	S	S	*	*			trans	93.9	106.7	140.6	-70.6	164.3	0	0	0	120.1
445	N	37.8	Very low	34.9	Very low	149 Å²	149	124.5 Å²	124.5	80%	0.797	72%	0.721	S	S	*	*				76	153.2	129	-64.4	4.6	0	0	0	121.9
446	A	33.4	Very low	35	Very low	67 Å²	67	128.4 Å²	128.4	55%	0.554	73%	0.725	S	S	*	*			cis	170.9	139.4	-26.6	0	0	0	0	0	105.6
447	N	31.9	Very low	35.1	Very low	145 Å²	145	132.9 Å²	132.9	78%	0.775	73%	0.732	S	S	*	*			trans	84.4	139.3	140.5	-62	-4.1	0	0	0	122.6
448	E	34	Very low	34.9	Very low	170 Å²	170	131.5 Å²	131.5	79%	0.794	72%	0.724	S	S	*	*			trans	83.6	140.6	143.8	-83	-170.9	144.9	0	0	118.6
449	L	31.8	Very low	34.7	Very low	133 Å²	133	134.4 Å²	134.4	70%	0.696	73%	0.729	S	S	*	*			cis	-172.3	140.8	-1	-163	85.9	0	0	0	108.4
450	C	27.1	Very low	34.7	Very low	91 Å²	91	132.8 Å²	132.8	62%	0.615	72%	0.721	S	S	*	*			trans	51.6	134.2	138.1	-74.6	0	0	0	0	127.5
451	I	26.9	Very low	34.4	Very low	166 Å²	166	133 Å²	133	85%	0.851	72%	0.721	S	S	*	*				77	130.3	123.6	-60.2	165	0	0	0	120
452	G	32.9	Very low	33.9	Very low	70 Å²	70	132.7 Å²	132.7	72%	0.722	72%	0.721	S	S	*	*			trans	153.4	95.3	144.6	0	0	0	0	0	116.6
453	S	31.5	Very low	33.7	Very low	114 Å²	114	131.4 Å²	131.4	80%	0.797	72%	0.718	S	S	*	*			trans	-60.8	151	161.1	-54.5	0	0	0	0	111.9
454	D	34	Very low	33.3	Very low	129 Å²	129	131.7 Å²	131.7	69%	0.69	72%	0.72	S	S	*	*				170.6	145.8	117.2	-105	-44.9	0	0	0	116.3
455	H	38.5	Very low	33	Very low	151 Å²	151	133.4 Å²	133.4	70%	0.699	73%	0.725	S	S	*	*			trans	74.9	147	148.5	-62.2	-20.1	0	0	0	120.6
456	K	34.8	Very low	32.5	Very low	181 Å²	181	131.2 Å²	131.2	79%	0.787	72%	0.721	S	S	*	*			cis	178.1	159	-21.2	-148.6	172.1	-173	173.4	0	106.4
457	K	34.5	Very low	32.7	Very low	190 Å²	190	134.4 Å²	134.4	83%	0.826	73%	0.734	S	S	*	*			trans	79.5	136.3	162.8	-80.6	176.7	156.7	179.9	0	118.4
458	V	29.8	Very low	32.6	Very low	111 Å²	111	134.3 Å²	134.3	67%	0.673	73%	0.733	S	S	*	*			cis	139.3	146.5	-4.2	154.3	0	0	0	0	107.4
459	H	35.7	Very low	32.5	Very low	156 Å²	156	136 Å²	136	72%	0.722	74%	0.738	S	S	*	*			trans	84.4	141.5	169.6	-72.1	-49.9	0	0	0	117
460	D	34.4	Very low	32.5	Very low	122 Å²	122	139 Å²	139	65%	0.652	75%	0.746	S	S	*	*			cis	-175.7	130.4	-10.7	-111	10.3	0	0	0	105.3
461	T	32.9	Very low	32.9	Very low	112 Å²	112	140.2 Å²	140.2	69%	0.687	75%	0.753	S	S	*	*				92.2	137.3	101.9	-44.9	0	0	0	0	115.7
462	S	34.7	Very low	33.2	Very low	103 Å²	103	140.7 Å²	140.7	72%	0.72	76%	0.756	S	S	*	*			trans	90.9	138	150.8	103.3	0	0	0	0	115.5
463	V	32.7	Very low	33	Very low	109 Å²	109	142.6 Å²	142.6	66%	0.661	76%	0.757	S	S	*	*			cis	-175.6	132	17.8	123	0	0	0	0	109.1
464	F	31	Very low	33.1	Very low	168 Å²	168	143.5 Å²	143.5	74%	0.737	76%	0.758	S	S	*	*			trans	62.2	149.3	145.5	-64.5	-107.5	0	0	0	120.9
465	H	33	Very low	33.1	Very low	165 Å²	165	143.9 Å²	143.9	76%	0.764	76%	0.76	S	S	*	*			cis	-157.2	137	19.4	-129.8	-69.1	0	0	0	110.3
466	S	27.3	Very low	32.7	Very low	103 Å²	103	143.9 Å²	143.9	72%	0.72	77%	0.765	S	S	*	*			trans	-88.5	151.8	169.9	-60.6	0	0	0	0	112
467	T	36.7	Very low	32.6	Very low	133 Å²	133	141.3 Å²	141.3	82%	0.816	77%	0.77	S	S	*	*			trans	-150.2	115.9	137.2	47.5	0	0	0	0	111.7
468	N	29.6	Very low	32.6	Very low	143 Å²	143	136 Å²	136	77%	0.765	76%	0.761	S	S	*	*			trans	-76.6	145.2	160.9	-97.4	-63.5	0	0	0	110
469	F	32.6	Very low	32.8	Very low	205 Å²	205	137.8 Å²	137.8	90%	0.899	77%	0.767	S	S	*	*			trans	-131.8	129.2	149.3	-92.4	-81.4	0	0	0	109.9
470	K	31.9	Very low	32.6	Very low	197 Å²	197	135.2 Å²	135.2	86%	0.857	77%	0.767	S	S	*	*			trans	-92.3	167.4	-174.2	-100.8	178	177.8	177	0	112.1
471	P	34.9	Very low	32.6	Very low	117 Å²	117	136 Å²	136	76%	0.76	78%	0.776	S	S	*	*			trans	-94.6	163.1	-170.9	37.9	-33.3	0	0	0	114.1
472	L	33.8	Very low	32.6	Very low	176 Å²	176	136.7 Å²	136.7	92%	0.921	78%	0.782	S	S	*	*			trans	-155.4	139.5	159.7	-147	75.6	0	0	0	112.2
473	C	28.5	Very low	32.3	Very low	110 Å²	110	139.4 Å²	139.4	74%	0.743	79%	0.787	S	S	*	*			trans	-79.8	161	-172.4	-51.4	0	0	0	0	114.8
474	T	33.9	Very low	32.2	Very low	133 Å²	133	139.6 Å²	139.6	82%	0.816	79%	0.793	S	S	*	*				175.2	115.4	119.5	28.5	0	0	0	0	113.5
475	D	32.8	Very low	32.1	Very low	137 Å²	137	135.9 Å²	135.9	73%	0.733	79%	0.785	S	S	*	*			trans	44	121.8	136.1	-59.3	-17.4	0	0	0	125.8
476	N	30.6	Very low	32	Very low	151 Å²	151	137.8 Å²	137.8	81%	0.807	79%	0.791	S	S	*	*				62.3	115.5	126.4	-65.6	-21.7	0	0	0	122.8
477	S	34.2	Very low	32	Very low	127 Å²	127	137.1 Å²	137.1	89%	0.888	79%	0.792	S	S	*	*				-175.9	134.8	112.2	176.7	0	0	0	0	111.9
478	A	34.3	Very low	31.6	Very low	77 Å²	77	137 Å²	137	64%	0.636	80%	0.795	S	S	*	*			trans	-79.9	154.5	-173.2	0	0	0	0	0	115
479	N	32.8	Very low	31.6	Very low	150 Å²	150	136.4 Å²	136.4	80%	0.802	80%	0.796	S	S	*	*				175.9	122.8	108.9	-91.4	-18.8	0	0	0	115
480	S	31	Very low	31.3	Very low	102 Å²	102	132.3 Å²	132.3	71%	0.713	79%	0.792	S	S	*	*			trans	56.7	119.9	140.4	57.7	0	0	0	0	123.6
481	T	34.6	Very low	31.3	Very low	139 Å²	139	128.2 Å²	128.2	85%	0.853	79%	0.788	S	S	*	*				-170.4	155.2	122.4	24.2	0	0	0	0	110.5
482	P	33.5	Very low	31.3	Very low	125 Å²	125	131 Å²	131	81%	0.812	79%	0.79	S	S	*	*			trans	-94.6	154.2	-142.8	35.9	-35.3	0	0	0	116.5
483	I	27.6	Very low	31	Very low	160 Å²	160	128.5 Å²	128.5	82%	0.821	78%	0.782	S	S	*	*			trans	-78.1	141.2	172.8	-67.9	163.4	0	0	0	110.5
484	S	32.4	Very low	31	Very low	114 Å²	114	128.2 Å²	128.2	80%	0.797	78%	0.781	S	S	*	*			trans	-134.5	102.8	152.6	-175.4	0	0	0	0	110.9
485	T	28.2	Very low	30.9	Very low	90 Å²	90	126.8 Å²	126.8	55%	0.552	78%	0.777	S	S	*	*			trans	-35.2	146.6	159.8	-32.3	0	0	0	0	114.9
486	F	31.2	Very low	30.8	Very low	204 Å²	204	126.3 Å²	126.3	90%	0.895	78%	0.778	S	S	*	*				-168.7	91.1	114.5	-87.4	-64.3	0	0	0	110.2
487	A	26.3	Very low	30.9	Very low	90 Å²	90	124.8 Å²	124.8	74%	0.744	78%	0.777	S	S	*	*			trans	-107.6	133.9	149.4	0	0	0	0	0	106.1
488	C	29	Very low	30.9	Very low	129 Å²	129	125.8 Å²	125.8	87%	0.872	77%	0.772	S	S	*	*			trans	-152.6	131.6	154.9	-152.2	0	0	0	0	112
489	V	30.3	Very low	30.6	Very low	131 Å²	131	127.5 Å²	127.5	79%	0.794	77%	0.774	S	S	*	*			trans	-86.6	147.6	-177.7	169.9	0	0	0	0	109
490	C	25.4	Very low	30.6	Very low	120 Å²	120	131.6 Å²	131.6	81%	0.811	78%	0.779	S	S	*	*			trans	-61.5	137.3	172.1	-68.1	0	0	0	0	112.3
491	S	32.9	Very low	30.4	Very low	110 Å²	110	131.5 Å²	131.5	77%	0.769	78%	0.778	S	S	*	*			trans	-171.1	115.4	148.6	-75.5	0	0	0	0	112.3
492	H	33.5	Very low	30.2	Very low	176 Å²	176	129.3 Å²	129.3	82%	0.815	77%	0.774	S	S	*	*			trans	40.3	120.8	140.2	-73.9	-84.4	0	0	0	124.1
493	V	28.4	Very low	29.9	Very low	123 Å²	123	128.4 Å²	128.4	75%	0.745	77%	0.771	S	S	*	*				67.6	120.9	121.8	-178	0	0	0	0	120.4
494	S	28.2	Very low	30.3	Very low	105 Å²	105	127.7 Å²	127.7	73%	0.734	77%	0.774	S	S	*	*			trans	62.1	118.3	153.6	-154.4	0	0	0	0	115.8
495	S	32.2	Very low	30.3	Very low	103 Å²	103	131.5 Å²	131.5	72%	0.72	78%	0.776	S	S	*	*				-178.8	149.2	71.1	-51.5	0	0	0	0	108.8
496	V	30.3	Very low	30.6	Very low	126 Å²	126	131.8 Å²	131.8	76%	0.764	78%	0.782	S	S	*	*			trans	-50.3	152.4	175.5	-173.9	0	0	0	0	113
497	P	33.5	Very low	30.9	Very low	120 Å²	120	128.7 Å²	128.7	78%	0.779	78%	0.775	S	S	*	*			trans	-133.2	130.1	137.9	34.1	-20.5	0	0	0	113.3
498	D	32.8	Very low	31.4	Very low	148 Å²	148	135.3 Å²	135.3	79%	0.791	78%	0.78	S	S	*	*			trans	-78.3	121.6	165.8	-90.8	-42	0	0	0	110.7
499	V	29.3	Very low	31.7	Very low	112 Å²	112	134.4 Å²	134.4	68%	0.679	77%	0.773	S	S	*	*			trans	19.7	115.5	131.7	-170.6	0	0	0	0	118.1
500	W	31.2	Very low	31.9	Very low	237 Å²	237	135.4 Å²	135.4	90%	0.898	77%	0.772	S	S	*	*				-173	125.9	109.2	-103.3	-29.4	0	0	0	113.5
501	S	28.1	Very low	32.4	Very low	100 Å²	100	134.7 Å²	134.7	70%	0.699	76%	0.764	S	S	*	*				48.9	125.4	126.8	-49.3	0	0	0	0	122.7
502	A	30.2	Very low	32.3	Very low	92 Å²	92	135.5 Å²	135.5	76%	0.76	76%	0.76	S	S	*	*			trans	86	101.6	133.9	0	0	0	0	0	118.9
503	S	28.1	Very low	32.5	Very low	107 Å²	107	135 Å²	135	75%	0.748	76%	0.758	S	S	*	*				52.3	113.5	120.8	-152.3	0	0	0	0	117.5
504	T	34.1	Very low	32.8	Very low	145 Å²	145	134.2 Å²	134.2	89%	0.89	76%	0.757	S	S	*	*				174.4	158.9	107.5	34.8	0	0	0	0	111.8
505	K	33.2	Very low	33.2	Very low	194 Å²	194	137.6 Å²	137.6	84%	0.843	76%	0.764	S	S	*	*			trans	-72.3	156	-167.2	-77.3	171.1	167.3	174.9	0	115.5
506	S	35.4	Very low	33.2	Very low	96 Å²	96	139.2 Å²	139.2	67%	0.671	77%	0.765	S	S	*	*			trans	65.5	118.2	134.8	67.7	0	0	0	0	121
507	D	36.3	Very low	33.4	Very low	138 Å²	138	140.2 Å²	140.2	74%	0.738	77%	0.765	S	S	*	*				78.5	105.1	126.5	-73	-47.4	0	0	0	120.8
508	R	36.2	Very low	33.3	Very low	230 Å²	230	138.1 Å²	138.1	87%	0.868	75%	0.753	S	S	*	*				91	141.7	127.6	-75.7	-175.5	179.9	-164.4	-1.3	119.3
509	P	36.6	Very low	33.3	Very low	110 Å²	110	139.8 Å²	139.8	71%	0.714	76%	0.756	S	S	*	*			trans	-103.5	168.6	-160.3	39.4	-28	0	0	0	111.6
510	I	34.8	Very low	33.5	Very low	152 Å²	152	138.4 Å²	138.4	78%	0.779	75%	0.751	S	S	*	*			trans	177.9	117.2	137.9	-91.4	154.5	0	0	0	110.2
511	T	35.7	Very low	33.7	Very low	105 Å²	105	134.6 Å²	134.6	64%	0.644	75%	0.749	S	S	*	*			trans	59	119.4	142.8	66.3	0	0	0	0	124
512	N	31.3	Very low	34.1	Very low	127 Å²	127	133.5 Å²	133.5	68%	0.679	75%	0.753	S	S	*	*				77.5	145.1	118.4	-63	-9.6	0	0	0	123.1
513	H	37.7	Very low	34	Very low	165 Å²	165	134.5 Å²	134.5	76%	0.764	75%	0.753	S	S	*	*			trans	94	91.4	165.4	-52.9	-65.2	0	0	0	114.3
514	S	32.8	Very low	34	Very low	106 Å²	106	134.9 Å²	134.9	74%	0.741	75%	0.751	S	S	*	*				64.2	119.9	83.9	-67	0	0	0	0	113.1
515	M	38.2	Very low	34	Very low	177 Å²	177	134 Å²	134	87%	0.872	75%	0.746	S	S	*	*				162.5	107.9	121.9	-67.5	-133.4	-173.6	0	0	107.4
516	N	31.8	Very low	33.8	Very low	137 Å²	137	130.8 Å²	130.8	73%	0.733	74%	0.742	S	S	*	*				83.4	113.9	85.4	-138.9	1.9	0	0	0	112.8
517	L	34	Very low	33.8	Very low	147 Å²	147	130.8 Å²	130.8	77%	0.77	75%	0.748	S	S	*	*				166.2	97.2	121.3	-109.4	74.5	0	0	0	112.2
518	S	31.5	Very low	33.5	Very low	76 Å²	76	130.7 Å²	130.7	53%	0.531	75%	0.748	S	S	.	*				21.9	138.3	123.7	58.9	0	0	0	0	123.4
519	Q	32.5	Very low	33.3	Very low	183 Å²	183	127 Å²	127	86%	0.855	75%	0.745	S	S	*	*				73	145	128.7	-77.8	169.6	6.3	0	0	117.2
520	S	33	Very low	33.1	Very low	82 Å²	82	126.7 Å²	126.7	57%	0.573	74%	0.742	S	S	*	*			cis	-174.3	175.2	9.7	43.9	0	0	0	0	109.1
521	D	37	Very low	33	Very low	158 Å²	158	126.6 Å²	126.6	85%	0.845	74%	0.741	S	S	*	*			trans	74.5	140.3	154.6	-46.7	-42.4	0	0	0	117.9
522	G	34.9	Very low	33	Very low	76 Å²	76	126.8 Å²	126.8	78%	0.784	75%	0.747	S	S	*	*			cis	175.5	153.3	7.7	0	0	0	0	0	111
523	C	28.6	Very low	33.1	Very low	113 Å²	113	125.2 Å²	125.2	76%	0.764	75%	0.745	S	S	*	*			trans	-25.6	143.9	175	-118.5	0	0	0	0	123
524	T	28.8	Very low	33.1	Very low	115 Å²	115	126.9 Å²	126.9	71%	0.706	75%	0.753	S	S	*	*			trans	49.2	131.2	131.1	57.6	0	0	0	0	121.9
525	T	33.3	Very low	33.1	Very low	128 Å²	128	124.7 Å²	124.7	79%	0.785	75%	0.747	S	S	*	*				170.9	134.5	105.3	-62	0	0	0	0	112.2
526	T	28.3	Very low	32.7	Very low	125 Å²	125	126 Å²	126	77%	0.767	75%	0.748	S	S	*	*			trans	-24.3	137.6	157.4	-48.3	0	0	0	0	117.7
527	A	35.4	Very low	32.8	Very low	97 Å²	97	127.2 Å²	127.2	80%	0.802	75%	0.753	S	S	*	*			trans	-174.6	150.3	136.1	0	0	0	0	0	112
528	N	30.5	Very low	32.7	Very low	136 Å²	136	129 Å²	129	73%	0.727	76%	0.755	S	S	*	*			trans	-81.1	178.3	-169.2	-57.3	-48.9	0	0	0	113.8
529	N	33.3	Very low	33	Very low	151 Å²	151	131.6 Å²	131.6	81%	0.807	77%	0.77	S	S	*	*			trans	93.7	142.3	150.2	-62.5	-15.6	0	0	0	117.1
530	T	32.3	Very low	32.8	Very low	105 Å²	105	127 Å²	127	64%	0.644	76%	0.758	S	S	*	*			cis	-174.1	161.9	-22.2	-43.4	0	0	0	0	104.4
531	I	32.5	Very low	32.6	Very low	150 Å²	150	130.3 Å²	130.3	77%	0.769	77%	0.77	S	S	*	*			trans	75.9	122	155.8	-55	171	0	0	0	113.9
532	S	35.5	Very low	32.4	Very low	109 Å²	109	130 Å²	130	76%	0.762	77%	0.773	S	S	*	*				-162.6	158.2	54.8	-138.7	0	0	0	0	115
533	S	32.4	Very low	32.1	Very low	93 Å²	93	134 Å²	134	65%	0.65	78%	0.776	S	S	*	*			trans	-76.5	153.5	-170.4	48.7	0	0	0	0	117.2
534	H	38.6	Very low	31.9	Very low	201 Å²	201	138.7 Å²	138.7	93%	0.931	78%	0.779	S	S	*	*			trans	171.8	131.4	134.6	-95.4	-77.4	0	0	0	106.2
535	G	32.9	Very low	32.1	Very low	60 Å²	60	139.1 Å²	139.1	62%	0.619	78%	0.784	S	S	*	*			cis	155.5	110.2	5.1	0	0	0	0	0	107.7
536	F	28.6	Very low	32	Very low	204 Å²	204	138.1 Å²	138.1	90%	0.895	78%	0.777	S	S	*	*			trans	50.5	123.8	154.3	-73.4	-93.5	0	0	0	122.1
537	I	34.6	Very low	32.3	Very low	163 Å²	163	138.5 Å²	138.5	84%	0.836	78%	0.782	S	S	*	*				176.1	126.4	105.5	-81.4	158.2	0	0	0	109.3
538	K	32.4	Very low	32	Very low	183 Å²	183	138.7 Å²	138.7	80%	0.796	78%	0.777	S	S	*	*			trans	-68.2	159.7	169.7	-87.9	176.1	173.3	173.5	0	111.1
539	P	37.3	Very low	32	Very low	132 Å²	132	143 Å²	143	86%	0.857	78%	0.783	S	S	*	*			trans	-121.5	127.3	133.2	31.9	-20.8	0	0	0	111.9
540	S	29.5	Very low	32.1	Very low	87 Å²	87	142 Å²	142	61%	0.608	79%	0.785	S	S	*	*			trans	-71.8	156.3	169.2	-34.9	0	0	0	0	111.1
541	N	28.9	Very low	32.2	Very low	151 Å²	151	141.4 Å²	141.4	81%	0.807	79%	0.785	S	S	*	*			trans	53.3	108.5	148.5	-58.9	-18.2	0	0	0	118.5
542	V	32.3	Very low	32.1	Very low	152 Å²	152	140.4 Å²	140.4	92%	0.921	79%	0.786	S	S	*	*			trans	-122.4	107.8	149.4	-177	0	0	0	0	109.1
543	L	28.3	Very low	32	Very low	160 Å²	160	145.1 Å²	145.1	84%	0.838	79%	0.793	S	S	*	*			trans	-74	144	178.9	-149.1	78.9	0	0	0	110.1
544	Y	24	Very low	31.9	Very low	211 Å²	211	144.7 Å²	144.7	83%	0.827	80%	0.796	S	S	*	*			trans	-55.9	145.2	172.9	-73.7	-95.6	0	0	0	113	T546	Y544-T546 PolarHBondContact O-N 2.76Å
545	P	33	Very low	31.8	Very low	124 Å²	124	141.2 Å²	141.2	81%	0.805	79%	0.794	S	S	*	*			trans	-88.5	99.3	155.9	32.1	-23.7	0	0	0	109.4
546	T	31	Very low	31.8	Very low	106 Å²	106	141.1 Å²	141.1	65%	0.65	79%	0.793	S	S	*	*			trans	-60.6	134.8	157.1	36.5	0	0	0	0	110.4	Y544 S548	Y544-T546 PolarHBondContact O-N 2.76Å; T546-S548 PolarHBondContact O-N 2.91Å
547	P	34.2	Very low	31.9	Very low	134 Å²	134	140.6 Å²	140.6	87%	0.87	79%	0.791	S	S	*	*			trans	-82.6	96.4	160.1	30.9	-25.7	0	0	0	108.4	R549	P547-R549 PolarHBondContact O-N 3.48Å
548	S	30.8	Very low	31.8	Very low	100 Å²	100	143.3 Å²	143.3	70%	0.699	79%	0.79	S	S	*	*			trans	-70.6	121.6	172.8	-43.3	0	0	0	0	110.5	T546	T546-S548 PolarHBondContact O-N 2.91Å
549	R	30.7	Very low	31.7	Very low	227 Å²	227	143 Å²	143	86%	0.857	79%	0.791	S	S	*	*			trans	-38	135.5	159.3	-160.1	-178.4	-159.4	-150.6	4.7	112.4	P547	P547-R549 PolarHBondContact O-N 3.48Å
550	P	34.1	Very low	31.5	Very low	131 Å²	131	143.5 Å²	143.5	85%	0.851	79%	0.792	S	S	*	*			trans	-85.3	115.3	157.8	8.4	9.3	0	0	0	108.6
551	S	35.7	Very low	31.6	Very low	92 Å²	92	144.8 Å²	144.8	64%	0.643	80%	0.801	S	S	*	*			trans	-83.5	135.6	168.5	48.6	0	0	0	0	110.9
552	T	29.1	Very low	32.2	Very low	129 Å²	129	143.1 Å²	143.1	79%	0.791	80%	0.799	S	S	*	*			trans	-38.9	132.9	163.3	-47.8	0	0	0	0	113.5
553	F	34.8	Very low	32.3	Very low	207 Å²	207	141.2 Å²	141.2	91%	0.908	79%	0.792	S	S	*	*			trans	-126.2	125.1	152.9	-107.1	-83	0	0	0	109.2
554	A	29.8	Very low	32.6	Very low	85 Å²	85	137.6 Å²	137.6	70%	0.702	78%	0.78	S	S	*	*			trans	-97.1	139.7	175.1	0	0	0	0	0	110
555	S	35.6	Very low	33.3	Very low	127 Å²	127	136 Å²	136	89%	0.888	78%	0.78	S	S	*	*			trans	166.2	138.1	141.6	67.3	0	0	0	0	106.5
556	G	33.2	Very low	33.5	Very low	58 Å²	58	135.3 Å²	135.3	60%	0.598	78%	0.776	S	S	*	*			cis	170.5	143.7	-2.6	0	0	0	0	0	106.6
557	F	29.9	Very low	33.8	Very low	193 Å²	193	137.1 Å²	137.1	85%	0.846	79%	0.786	S	S	*	*			trans	63.5	133.1	158.9	-63.9	-77.4	0	0	0	117.1
558	R	32.4	Very low	33.9	Very low	220 Å²	220	135.3 Å²	135.3	83%	0.83	78%	0.777	S	S	*	*			cis	-163.7	156.3	24	-112.7	168.8	-130.3	-128.5	5.2	109.5
559	H	30.5	Very low	34.1	Very low	176 Å²	176	138.5 Å²	138.5	82%	0.815	79%	0.785	S	S	*	*			trans	-39.8	142.5	167.1	-65.1	-96	0	0	0	116.1
560	T	34.6	Very low	34.1	Very low	143 Å²	143	136 Å²	136	88%	0.877	78%	0.782	S	S	*	*				180	135.6	107.3	35.1	0	0	0	0	111.9
561	S	31.6	Very low	34	Very low	115 Å²	115	134.8 Å²	134.8	80%	0.804	78%	0.777	S	S	*	*			trans	-86.3	-168.6	169.1	-39.4	0	0	0	0	110.4
562	P	40.2	Very low	34.1	Very low	115 Å²	115	137.8 Å²	137.8	75%	0.747	79%	0.785	S	S	*	*			cis	-132.1	-170.9	-41.7	28.2	-6	0	0	0	113
563	S	34.8	Very low	34.4	Very low	112 Å²	112	136.6 Å²	136.6	78%	0.783	78%	0.781	S	S	*	*			trans	80.5	146.4	163.3	90.8	0	0	0	0	115.8
564	S	34.9	Very low	34.4	Very low	84 Å²	84	137.9 Å²	137.9	59%	0.587	78%	0.78	S	S	*	*			cis	-174.6	157.7	-3.4	36.8	0	0	0	0	107.6
565	H	37.5	Very low	34.9	Very low	177 Å²	177	139.5 Å²	139.5	82%	0.819	78%	0.783	S	S	*	*			trans	102.2	138.5	153.2	-62.3	-62.8	0	0	0	121.2
566	P	38.9	Very low	34.8	Very low	111 Å²	111	139.2 Å²	139.2	72%	0.721	77%	0.772	S	S	*	*			trans	-113.5	162.3	-165.3	40.4	-25.9	0	0	0	112.8
567	V	37.2	Very low	35	Very low	144 Å²	144	144.5 Å²	144.5	87%	0.873	78%	0.779	S	S	*	*			trans	-141.9	118.6	157.5	-179.3	0	0	0	0	109.7
568	S	35.1	Very low	35.4	Very low	96 Å²	96	140.7 Å²	140.7	67%	0.671	78%	0.776	S	S	*	*			trans	-83.2	155.3	165.5	-174.2	0	0	0	0	109.3
569	L	35.3	Very low	35.3	Very low	167 Å²	167	137.5 Å²	137.5	87%	0.874	78%	0.775	S	S	*	*			trans	-165.4	114	137.5	-102.5	153.3	0	0	0	111.3
570	H	31.7	Very low	35.5	Very low	173 Å²	173	140.8 Å²	140.8	80%	0.801	78%	0.781	S	S	*	*			trans	-76.7	147.7	159.2	-98.6	-74.4	0	0	0	110.8
571	S	32.2	Very low	35	Very low	106 Å²	106	141.7 Å²	141.7	74%	0.741	78%	0.779	S	S	*	*			trans	-159.2	139.4	134.2	52.1	0	0	0	0	104.6
572	I	36.2	Very low	34.7	Very low	156 Å²	156	142.1 Å²	142.1	80%	0.8	78%	0.78	S	S	*	*				-159.2	153.7	61.1	-75.7	169.1	0	0	0	109.1
573	S	36.3	Very low	34.1	Very low	103 Å²	103	141.2 Å²	141.2	72%	0.72	78%	0.777	S	S	*	*			trans	-59.5	144.2	-170.3	50.7	0	0	0	0	119.9
574	R	35.1	Very low	33.9	Very low	235 Å²	235	143 Å²	143	89%	0.887	78%	0.777	S	S	*	*			trans	-63.4	169.3	145.6	-81.4	-179.1	176.9	-176.6	-0.5	110.6
575	P	39.5	Very low	33.7	Very low	118 Å²	118	144 Å²	144	77%	0.766	78%	0.78	S	S	*	*			cis	-161.1	169.6	47.2	44.5	-20.9	0	0	0	121.2
576	D	34.3	Very low	33.6	Very low	121 Å²	121	141.7 Å²	141.7	65%	0.647	77%	0.773	S	S	*	*			trans	67.5	131	135.5	-94.3	-7.4	0	0	0	126.7
577	K	36.9	Very low	33.5	Very low	170 Å²	170	143.4 Å²	143.4	74%	0.739	78%	0.776	S	S	*	*			trans	73.1	111.4	133.6	-73.4	165.8	-178	145.8	0	119.7
578	S	38.2	Very low	33.5	Very low	113 Å²	113	140.4 Å²	140.4	79%	0.79	77%	0.767	S	S	*	*				157.1	139.8	80.2	50.7	0	0	0	0	113.3
579	N	31.1	Very low	33.5	Very low	152 Å²	152	143 Å²	143	81%	0.813	77%	0.772	S	S	*	*			trans	-8.4	135.1	160.8	-61	-21.6	0	0	0	119.6
580	R	33.2	Very low	33.4	Very low	246 Å²	246	141.9 Å²	141.9	93%	0.928	77%	0.767	S	S	*	*				179.8	147	106.2	-96	175.4	-162.9	-127.4	5	112.3
581	L	25.7	Very low	33.7	Very low	162 Å²	162	140.1 Å²	140.1	85%	0.848	76%	0.759	S	S	*	*			trans	-57.4	145.9	171.3	-71.8	83.3	0	0	0	112.8
582	C	25.1	Very low	33.7	Very low	123 Å²	123	142 Å²	142	83%	0.831	76%	0.756	S	S	*	*				158.7	156.7	115.9	-88.2	0	0	0	0	112.1
583	S	28	Very low	33.8	Very low	97 Å²	97	140.3 Å²	140.3	68%	0.678	75%	0.747	S	S	*	*			trans	-51.3	161.5	-173.1	61.6	0	0	0	0	117.8
584	L	30.6	Very low	33.8	Very low	149 Å²	149	142.3 Å²	142.3	78%	0.78	75%	0.75	S	S	*	*				161.9	107.9	129.1	-85	151.6	0	0	0	108.1
585	T	29.6	Very low	33.8	Very low	105 Å²	105	136.1 Å²	136.1	64%	0.644	74%	0.742	S	S	*	*				59.9	132.7	99.1	59.3	0	0	0	0	116.3
586	N	36	Very low	33.9	Very low	128 Å²	128	135.4 Å²	135.4	68%	0.684	74%	0.738	S	S	*	*			trans	151.2	113.4	137.2	-79	-17.6	0	0	0	109.8
587	N	37	Very low	34	Very low	147 Å²	147	136.4 Å²	136.4	79%	0.786	74%	0.743	S	S	*	*				114.9	148.9	80.5	-81.5	-17.5	0	0	0	106.8
588	A	36.9	Very low	34	Very low	82 Å²	82	133 Å²	133	68%	0.678	74%	0.736	S	S	*	*			cis	-168.1	152.3	-4.1	0	0	0	0	0	104.6
589	L	34.9	Very low	33.9	Very low	149 Å²	149	133.5 Å²	133.5	78%	0.78	73%	0.73	S	S	*	*				173.1	123.2	83.4	-110	146.2	0	0	0	106.7
590	L	33.1	Very low	34	Very low	144 Å²	144	134 Å²	134	75%	0.754	73%	0.728	S	S	*	*				64	134.1	111.2	-101.4	72	0	0	0	115.5
591	E	37.1	Very low	34.1	Very low	136 Å²	136	127.5 Å²	127.5	64%	0.636	72%	0.72	S	S	*	*			cis	-159.6	133.6	28.7	-119	-164.8	162.5	0	0	109.1
592	Q	33.9	Very low	34.1	Very low	147 Å²	147	131 Å²	131	69%	0.687	72%	0.722	S	S	*	*				80.9	133.4	102.6	-100.1	-172	19.1	0	0	113.3
593	I	37.6	Very low	34.6	Very low	119 Å²	119	132 Å²	132	61%	0.61	73%	0.725	S	S	*	*			cis	-165.8	136.3	31.4	-63.8	-163.2	0	0	0	111
594	N	36.2	Very low	34.5	Very low	145 Å²	145	133.9 Å²	133.9	78%	0.775	73%	0.727	S	S	*	*			trans	56.9	147.4	147.2	-59.8	-11.9	0	0	0	123.2
595	S	35.4	Very low	34.7	Very low	105 Å²	105	132.5 Å²	132.5	73%	0.734	73%	0.729	S	S	*	*			cis	178	168.7	-16.8	-103.1	0	0	0	0	108.2
596	P	41.3	Very low	34.7	Very low	103 Å²	103	137.6 Å²	137.6	67%	0.669	74%	0.743	S	S	*	*			trans	-120.5	-157.6	-141.4	43.3	-31.9	0	0	0	115.2
597	N	35.8	Very low	34.5	Very low	143 Å²	143	142.9 Å²	142.9	77%	0.765	75%	0.753	S	S	*	*			trans	104.6	136.4	158.6	-74.4	-16.4	0	0	0	118
598	T	36.7	Very low	34.2	Very low	97 Å²	97	141.5 Å²	141.5	60%	0.595	76%	0.756	S	S	*	*			cis	-170.5	159.3	-9.8	-27.6	0	0	0	0	108.6
599	N	36.2	Very low	33.8	Very low	124 Å²	124	141 Å²	141	66%	0.663	76%	0.758	S	S	*	*			trans	65.6	143.6	148.9	-63.8	-26.3	0	0	0	119.7
600	Q	33.2	Very low	33.6	Very low	164 Å²	164	138.2 Å²	138.2	77%	0.766	76%	0.757	S	S	*	*			cis	-173.2	164.1	-3.3	-122.6	155.1	-8.5	0	0	108.9
601	S	35.6	Very low	33.5	Very low	109 Å²	109	140.6 Å²	140.6	76%	0.762	76%	0.761	S	S	*	*			trans	80.8	95.8	153.7	68.9	0	0	0	0	121.8
602	R	26.7	Very low	33	Very low	234 Å²	234	138.8 Å²	138.8	88%	0.883	76%	0.764	S	S	*	*				49.4	106.8	108.6	-153.8	-179.1	-157.2	157.5	4.3	118.1
603	V	34.5	Very low	33	Very low	146 Å²	146	137.3 Å²	137.3	89%	0.885	77%	0.765	S	S	*	*			trans	-163.7	137.8	131.8	-91.3	0	0	0	0	110.4
604	D	26.4	Very low	32.6	Very low	135 Å²	135	139.8 Å²	139.8	72%	0.722	77%	0.771	S	S	*	*			trans	-62.4	140.6	-177.9	-60.4	-73.6	0	0	0	113.9
605	S	35	Very low	32.1	Very low	120 Å²	120	140 Å²	140	84%	0.839	77%	0.773	S	S	*	*			trans	-159.1	92.5	156.4	-83.6	0	0	0	0	110.6	R607	S605-R607 PolarHBondContact O-N 3.14Å
606	F	29.5	Very low	31.9	Very low	213 Å²	213	140.2 Å²	140.2	93%	0.934	77%	0.774	S	S	*	*			trans	-67	109.5	161.1	-80.4	-88.9	0	0	0	108.4
607	R	32	Very low	31.3	Very low	238 Å²	238	139.7 Å²	139.7	90%	0.898	77%	0.772	S	S	*	*			trans	-120.7	129.9	172.1	-149.5	176.5	-164.6	-122.8	4.1	110	S605	S605-R607 PolarHBondContact O-N 3.14Å
608	S	30	Very low	31.1	Very low	119 Å²	119	137.9 Å²	137.9	83%	0.832	77%	0.771	S	S	*	*			trans	-34.7	123	-178.2	-54	0	0	0	0	115.9	A610	S608-A610 PolarHBondContact O-N 2.88Å
609	G	28.7	Very low	30.9	Very low	71 Å²	71	140.8 Å²	140.8	73%	0.732	78%	0.783	S	S	*	*			trans	-76.5	95.6	162.7	0	0	0	0	0	110.3	F611	G609-F611 PolarHBondContact O-N 2.95Å
610	A	30.6	Very low	30.6	Very low	91 Å²	91	143.3 Å²	143.3	75%	0.752	80%	0.796	S	S	*	*			trans	-69.6	114.9	160.7	0	0	0	0	0	108.3	S608 S612	S608-A610 PolarHBondContact O-N 2.88Å; A610-S612 PolarHBondContact O-N 2.84Å; A610-S612 VanDerWaalsContact O-N 3.09Å
611	F	31.3	Very low	30.5	Very low	193 Å²	193	141.3 Å²	141.3	85%	0.846	80%	0.797	S	S	*	*			trans	-78.9	90	168.1	-77.8	-80.7	0	0	0	109.1	G609	G609-F611 PolarHBondContact O-N 2.95Å
612	S	26.5	Very low	30.1	Very low	98 Å²	98	147 Å²	147	69%	0.685	80%	0.802	S	S	*	*			trans	-70.8	117.1	149.7	53.6	0	0	0	0	108	A610	A610-S612 PolarHBondContact O-N 2.84Å; A610-S612 VanDerWaalsContact O-N 3.09Å
613	V	33.4	Very low	30.2	Very low	117 Å²	117	143.1 Å²	143.1	71%	0.709	80%	0.803	S	S	*	*			trans	-120	92.6	167.1	-178.5	0	0	0	0	108.5
614	F	30.4	Very low	29.9	Very low	171 Å²	171	139.8 Å²	139.8	75%	0.75	79%	0.787	S	S	*	*			trans	44.3	97.2	142.5	-62.6	-78	0	0	0	118.9	S616	F614-S616 PolarHBondContact O-N 2.85Å
615	N	25.4	Very low	30.3	Very low	150 Å²	150	139.8 Å²	139.8	80%	0.802	80%	0.797	S	S	*	*			trans	-58.2	107.5	140.7	-170.4	25.1	0	0	0	108.9
616	S	31	Very low	30.5	Very low	109 Å²	109	137.2 Å²	137.2	76%	0.762	78%	0.779	S	S	*	*			trans	-106.8	90.9	168.8	-67.5	0	0	0	0	108.5	F614	F614-S616 PolarHBondContact O-N 2.85Å
617	S	28	Very low	31.2	Very low	91 Å²	91	129.5 Å²	129.5	64%	0.636	76%	0.76	S	S	*	*			trans	-71	152.1	163.7	-55.6	0	0	0	0	110.2
618	S	31.3	Very low	32.2	Very low	106 Å²	106	122.6 Å²	122.6	74%	0.741	74%	0.737	S	S	*	*			trans	100.6	94.1	170	75.8	0	0	0	0	116
619	N	34.2	Very low	33.5	Very low	158 Å²	158	118.9 Å²	118.9	85%	0.845	71%	0.706	S	S	*	*			trans	172.3	101	133.7	-83.4	-36.8	0	0	0	108.2	P621	N619-P621 WeakPolarHBondContact O-CD 3.16Å
620	L	29.4	Very low	35.2	Very low	177 Å²	177	120 Å²	120	93%	0.927	70%	0.695	S	S	*	*			trans	-59.5	137.5	166.7	-94.1	82.5	0	0	0	109.8
621	P	30.4	Very low	37.5	Very low	121 Å²	121	119.9 Å²	119.9	79%	0.786	69%	0.685	S	S	*	*			trans	-119.9	116	150.4	15.5	6.6	0	0	0	110.6	N619	N619-P621 WeakPolarHBondContact O-CD 3.16Å
622	R	26.7	Very low	40	Very low	229 Å²	229	111.5 Å²	111.5	86%	0.864	65%	0.649	S	S	*	*			trans	17.9	110.5	143.6	-170.8	171.9	-87.2	-164.9	-6.9	116.4	S624	R622-S624 PolarHBondContact O-N 2.79Å; R622-S624 VanDerWaalsContact O-N 3.08Å; R622-S624 PolarHBondContact O-OG 2.84Å
623	V	28.7	Very low	42.6	Very low	152 Å²	152	107.2 Å²	107.2	92%	0.921	62%	0.62	S	S	*	*			trans	-54.1	106.6	172.2	-179.4	0	0	0	0	110.7
624	S	28.1	Very low	44.9	Very low	76 Å²	76	107.8 Å²	107.8	53%	0.531	62%	0.615	S	S	.	*			trans	-140.2	99.1	168.3	41.8	0	0	0	0	108.8	R622 S626	R622-S624 PolarHBondContact O-N 2.79Å; R622-S624 VanDerWaalsContact O-N 3.08Å; R622-S624 PolarHBondContact O-OG 2.84Å; S624-S626 WeakPolarHBondContact O-CB 3.35Å; S624-S626 PolarHBondContact O-N 2.84Å; S624-S626 PolarHBondContact O-OG 2.78Å
625	S	36.2	Very low	47.5	Very low	135 Å²	135	104.2 Å²	104.2	94%	0.944	60%	0.601	S	S	*	*	S	Bend	trans	47.6	6.9	153.6	-20.7	0	0	0	0	121.2
626	S	38.3	Very low	50.4	Low	66 Å²	66	97.3 Å²	97.3	46%	0.462	56%	0.563	S	S	.	*			trans	-104.6	-0.5	-165	42.3	0	0	0	0	115.3	S624 F628	S624-S626 WeakPolarHBondContact O-CB 3.35Å; S624-S626 PolarHBondContact O-N 2.84Å; S624-S626 PolarHBondContact O-OG 2.78Å; S626-F628 VanDerWaalsContact C-N 3.29Å; S626-F628 PolarHBondContact O-N 2.91Å; S626-F628 VanDerWaalsContact O-N 3.15Å
627	G	45.5	Very low	53.1	Low	51 Å²	51	95.4 Å²	95.4	53%	0.526	55%	0.55	S	S	.	*	H	α-helix	trans	-70.6	-12.9	-165.9	0	0	0	0	0	116.8	V631	G627-V631 WeakPolarHBondContact O-CG2 3.34Å
628	F	52.8	Low	55.8	Low	94 Å²	94	93.8 Å²	93.8	41%	0.412	53%	0.534	S	S	.	.	H	α-helix	trans	-80	-34.3	-175.1	171.3	-103.2	0	0	0	113.1	S626 V631 I632 P735	S626-F628 VanDerWaalsContact C-N 3.29Å; S626-F628 PolarHBondContact O-N 2.91Å; S626-F628 VanDerWaalsContact O-N 3.15Å; F628-V631 WeakPolarHBondContact O-CB 3.46Å; F628-V631 PolarHBondContact O-N 2.79Å; F628-I632 HydrophobicContact CE1-CD1 3.67Å; F628-I632 HydrophobicContact CE1-CG1 4.49Å; F628-I632 HydrophobicContact CE2-CD1 4.13Å; F628-I632 HydrophobicContact CE2-CG1 4.39Å; F628-I632 HydrophobicContact CZ-CD1 3.33Å; F628-I632 HydrophobicContact CZ-CG1 4.04Å; F628-I632 PolarHBondContact O-N 2.91Å; F628-P735 HydrophobicContact CE1-CG 4.13Å; F628-P735 HydrophobicContact CE2-CB 3.44Å; F628-P735 VanDerWaalsContact CE2-CB 3.44Å; F628-P735 HydrophobicContact CE2-CG 3.68Å; F628-P735 HydrophobicContact CZ-CB 3.48Å; F628-P735 VanDerWaalsContact CZ-CB 3.48Å; F628-P735 HydrophobicContact CZ-CG 3.33Å
629	E	56.9	Low	58.5	Low	41 Å²	41	88.8 Å²	88.8	19%	0.192	50%	0.499	C	S	.	.	H	α-helix	trans	-74.1	-32.9	-174.6	-61.4	-177.8	-173.1	0	0	112.1	V631 G633 Q713 G714	E629-V631 VanDerWaalsContact C-N 3.25Å; E629-V631 PolarHBondContact O-N 3.35Å; E629-G633 PolarHBondContact O-N 2.82Å; E629-Q713 VanDerWaalsContact OE1-CB 3.23Å; E629-Q713 WeakPolarHBondContact OE1-CB 3.14Å; E629-Q713 VanDerWaalsContact OE2-CA 3.3Å; E629-Q713 WeakPolarHBondContact OE2-CA 3.44Å; E629-Q713 WeakPolarHBondContact OE2-CB 3.44Å; E629-G714 VanDerWaalsContact CD-CA 3.43Å; E629-G714 VanDerWaalsContact OE1-CA 3.23Å; E629-G714 WeakPolarHBondContact OE1-CA 3.32Å; E629-G714 PolarHBondContact OE1-N 2.85Å; E629-G714 PolarHBondContact OE2-N 2.68Å
630	D	64.7	Low	61.2	Low	94 Å²	94	81.3 Å²	81.3	50%	0.503	46%	0.459	S	S	.	.	H	α-helix	trans	-59.5	-39.3	171.3	-76.3	-19	0	0	0	110.5	G633 H634	D630-G633 PolarHBondContact O-N 3.4Å; D630-H634 VanDerWaalsContact C-CD2 3.44Å; D630-H634 VanDerWaalsContact O-CB 3.26Å; D630-H634 WeakPolarHBondContact O-CB 3.49Å; D630-H634 PolarHBondContact O-CD2 2.78Å; D630-H634 PolarHBondContact O-N 3.45Å
631	V	78.1	Confident	64.2	Low	88 Å²	88	72.9 Å²	72.9	53%	0.533	42%	0.415	S	S	.	.	H	α-helix	trans	-63.7	-49.7	-178.6	-179.1	0	0	0	0	111.9	G627 F628 E629 H634 Q635	G627-V631 WeakPolarHBondContact O-CG2 3.34Å; F628-V631 WeakPolarHBondContact O-CB 3.46Å; F628-V631 PolarHBondContact O-N 2.79Å; E629-V631 VanDerWaalsContact C-N 3.25Å; E629-V631 PolarHBondContact O-N 3.35Å; V631-H634 PolarHBondContact O-N 3.22Å; V631-Q635 PolarHBondContact O-N 2.87Å
632	I	83.1	Confident	67.2	Low	17 Å²	17	67.5 Å²	67.5	9%	0.087	38%	0.379	C	S	.	.	H	α-helix	trans	-65.4	-44.9	178.2	-63.8	-179	0	0	0	110.2	F628 H634 Q635 L636 F716 L733	F628-I632 HydrophobicContact CE1-CD1 3.67Å; F628-I632 HydrophobicContact CE1-CG1 4.49Å; F628-I632 HydrophobicContact CE2-CD1 4.13Å; F628-I632 HydrophobicContact CE2-CG1 4.39Å; F628-I632 HydrophobicContact CZ-CD1 3.33Å; F628-I632 HydrophobicContact CZ-CG1 4.04Å; F628-I632 PolarHBondContact O-N 2.91Å; I632-H634 VanDerWaalsContact C-N 3.29Å; I632-H634 PolarHBondContact O-N 3.18Å; I632-Q635 PolarHBondContact O-N 3.11Å; I632-Q635 VanDerWaalsContact O-N 3.07Å; I632-L636 HydrophobicContact CG2-CD1 3.97Å; I632-L636 HydrophobicContact CG2-CG 4.19Å; I632-L636 WeakPolarHBondContact O-CG 3.34Å; I632-L636 PolarHBondContact O-N 3.18Å; I632-F716 HydrophobicContact CB-CZ 4.3Å; I632-F716 HydrophobicContact CG2-CE2 3.99Å; I632-F716 HydrophobicContact CG2-CZ 3.66Å; I632-L733 HydrophobicContact CD1-CB 4.39Å; I632-L733 HydrophobicContact CG2-CD1 3.93Å
633	G	82.7	Confident	70.4	Confident	9 Å²	9	57.3 Å²	57.3	9%	0.093	34%	0.341	C	S	.	.	H	α-helix	trans	-57.6	-41.8	177.5	0	0	0	0	0	112.5	E629 D630 L636 S637 Y642	E629-G633 PolarHBondContact O-N 2.82Å; D630-G633 PolarHBondContact O-N 3.4Å; G633-L636 PolarHBondContact O-N 3.05Å; G633-S637 PolarHBondContact O-N 2.77Å; G633-Y642 WeakPolarHBondContact O-CE1 3.41Å
634	H	81.5	Confident	73.4	Confident	129 Å²	129	51 Å²	51	60%	0.597	31%	0.306	S	S	*	.	H	α-helix	trans	-63.6	-41.6	173.4	-71.2	-46.2	0	0	0	112	D630 V631 I632 L636 S637	D630-H634 VanDerWaalsContact C-CD2 3.44Å; D630-H634 VanDerWaalsContact O-CB 3.26Å; D630-H634 WeakPolarHBondContact O-CB 3.49Å; D630-H634 PolarHBondContact O-CD2 2.78Å; D630-H634 PolarHBondContact O-N 3.45Å; V631-H634 PolarHBondContact O-N 3.22Å; I632-H634 VanDerWaalsContact C-N 3.29Å; I632-H634 PolarHBondContact O-N 3.18Å; H634-L636 VanDerWaalsContact C-N 3.33Å; H634-L636 PolarHBondContact O-N 3.05Å; H634-S637 WeakPolarHBondContact O-CB 3.19Å; H634-S637 PolarHBondContact O-N 3.46Å; H634-S637 PolarHBondContact O-OG 2.83Å
635	Q	84.1	Confident	76.4	Confident	96 Å²	96	51.7 Å²	51.7	45%	0.449	31%	0.307	S	S	.	.	H	α-helix	trans	-65.9	-35.5	176.6	-168	176.3	10.3	0	0	112.4	V631 I632 I638	V631-Q635 PolarHBondContact O-N 2.87Å; I632-Q635 PolarHBondContact O-N 3.11Å; I632-Q635 VanDerWaalsContact O-N 3.07Å; Q635-I638 WeakPolarHBondContact O-CG2 3.27Å
636	L	87.8	Confident	79	Confident	4 Å²	4	45.7 Å²	45.7	2%	0.021	27%	0.265	C	S	.	.	H	α-helix	trans	-76.5	-21.5	177.2	-64.5	179.4	0	0	0	113.4	L391 I632 G633 H634 I638 Y639 W641 Y642 F716 L733 I749	L391-L636 HydrophobicContact CD1-CD2 4.26Å; I632-L636 HydrophobicContact CG2-CD1 3.97Å; I632-L636 HydrophobicContact CG2-CG 4.19Å; I632-L636 WeakPolarHBondContact O-CG 3.34Å; I632-L636 PolarHBondContact O-N 3.18Å; G633-L636 PolarHBondContact O-N 3.05Å; H634-L636 VanDerWaalsContact C-N 3.33Å; H634-L636 PolarHBondContact O-N 3.05Å; L636-I638 PolarHBondContact O-N 2.86Å; L636-Y639 PolarHBondContact O-N 3.23Å; L636-W641 HydrophobicContact CD2-CH2 4.14Å; L636-Y642 HydrophobicContact CB-CD1 3.73Å; L636-Y642 HydrophobicContact CB-CD2 4Å; L636-Y642 HydrophobicContact CB-CE1 3.9Å; L636-Y642 HydrophobicContact CB-CE2 4.18Å; L636-Y642 HydrophobicContact CB-CG 3.76Å; L636-Y642 HydrophobicContact CD1-CD2 4.18Å; L636-Y642 HydrophobicContact CD1-CE2 3.99Å; L636-Y642 WeakPolarHBondContact O-CB 3.48Å; L636-F716 HydrophobicContact CD1-CD1 4.04Å; L636-F716 HydrophobicContact CD1-CE1 3.65Å; L636-F716 HydrophobicContact CD1-CZ 4.08Å; L636-L733 HydrophobicContact CD1-CD1 3.8Å; L636-I749 HydrophobicContact CD2-CG2 3.89Å
637	S	86.5	Confident	81.7	Confident	70 Å²	70	43.7 Å²	43.7	49%	0.49	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-18.6	179.1	76.1	0	0	0	0	114.5	G633 H634 Y639	G633-S637 PolarHBondContact O-N 2.77Å; H634-S637 WeakPolarHBondContact O-CB 3.19Å; H634-S637 PolarHBondContact O-N 3.46Å; H634-S637 PolarHBondContact O-OG 2.83Å; S637-Y639 PolarHBondContact O-N 2.79Å
638	I	84.8	Confident	84	Confident	56 Å²	56	48.7 Å²	48.7	29%	0.287	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-13.5	172.8	-162.5	165.1	0	0	0	113.3	P390 Q635 L636 N819 S820	P390-I638 HydrophobicContact CG-CB 4.26Å; P390-I638 HydrophobicContact CG-CD1 3.54Å; P390-I638 HydrophobicContact CG-CG1 4.25Å; P390-I638 HydrophobicContact CG-CG2 3.38Å; Q635-I638 WeakPolarHBondContact O-CG2 3.27Å; L636-I638 PolarHBondContact O-N 2.86Å; I638-N819 HydrophobicContact CG1-CB 4.3Å; I638-N819 CarbonylContact O-C 3.6Å; I638-S820 WeakPolarHBondContact O-CA 3.46Å; I638-S820 VanDerWaalsContact O-CB 3.23Å; I638-S820 WeakPolarHBondContact O-CB 3.35Å; I638-S820 PolarHBondContact O-N 3.42Å; I638-S820 PolarHBondContact O-OG 2.73Å
639	Y	88.6	Confident	85.9	Confident	2 Å²	2	49.2 Å²	49.2	1%	0.008	26%	0.264	C	S	.	.	S	Bend	trans	-99	133.3	-179.1	-67.2	-78.6	0	0	0	112.3	P389 P390 L391 L636 S637 W641 Y642 V750	P389-Y639 HydrophobicContact CB-CE1 4.08Å; P390-Y639 WeakPolarHBondContact CD-OH 3.01Å; P390-Y639 HydrophobicContact CG-CE2 4.39Å; L391-Y639 HydrophobicContact CB-CE2 4.46Å; L391-Y639 VanDerWaalsContact CB-OH 3.23Å; L391-Y639 WeakPolarHBondContact CB-OH 3.43Å; L391-Y639 HydrophobicContact CD1-CD2 3.98Å; L391-Y639 HydrophobicContact CD1-CE1 4.39Å; L391-Y639 HydrophobicContact CD1-CE2 3.17Å; L391-Y639 VanDerWaalsContact CD1-CZ 3.43Å; L391-Y639 WeakPolarHBondContact CD1-OH 2.96Å; L391-Y639 HydrophobicContact CG-CE2 3.48Å; L391-Y639 VanDerWaalsContact CG-CE2 3.48Å; L391-Y639 WeakPolarHBondContact CG-OH 3.39Å; L391-Y639 PolarHBondContact N-OH 3.47Å; L636-Y639 PolarHBondContact O-N 3.23Å; S637-Y639 PolarHBondContact O-N 2.79Å; Y639-W641 VanDerWaalsContact C-N 3.25Å; Y639-W641 VanDerWaalsContact CB-CZ2 3.45Å; Y639-W641 AromaticContact CD1-CE2 3.81Å; Y639-W641 AromaticContact CD1-CZ2 3.66Å; Y639-W641 HydrophobicContact CD1-CZ2 3.66Å; Y639-W641 AromaticContact CD1-NE1 3.6Å; Y639-W641 HydrophobicContact CD2-CH2 4.07Å; Y639-W641 AromaticContact CD2-CZ2 3.73Å; Y639-W641 HydrophobicContact CD2-CZ2 3.73Å; Y639-W641 HydrophobicContact CE1-CZ2 4.38Å; Y639-W641 HydrophobicContact CE2-CZ2 4.46Å; Y639-W641 AromaticContact CG-CE2 3.59Å; Y639-W641 HydrophobicContact CG-CH2 4Å; Y639-W641 AromaticContact CG-CZ2 3.29Å; Y639-W641 HydrophobicContact CG-CZ2 3.29Å; Y639-W641 AromaticContact CG-NE1 3.81Å; Y639-W641 PolarHBondContact O-N 3.26Å; Y639-Y642 PolarHBondContact O-N 3.33Å; Y639-Y642 VanDerWaalsContact O-N 3.13Å; Y639-V750 HydrophobicContact CE1-CG2 4.47Å
640	P	89.8	Confident	87.6	Confident	0 Å²	0	51 Å²	51	0%	0	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-20.7	-176.7	28.7	-35.8	0	0	0	113.8	Y642 Y796 V798 N799 L802 A818 V823	P640-Y642 VanDerWaalsContact C-N 3.31Å; P640-Y796 HydrophobicContact CB-CE2 3.96Å; P640-Y796 HydrophobicContact CG-CE2 3.6Å; P640-V798 HydrophobicContact CB-CG1 4.17Å; P640-V798 CarbonylContact O-C 3.59Å; P640-V798 WeakPolarHBondContact O-CA 3.5Å; P640-N799 PolarHBondContact O-N 2.92Å; P640-L802 HydrophobicContact CB-CD1 3.85Å; P640-A818 WeakPolarHBondContact CD-O 3.48Å; P640-V823 HydrophobicContact CB-CB 4.04Å; P640-V823 HydrophobicContact CB-CG1 3.94Å; P640-V823 HydrophobicContact CG-CB 3.86Å; P640-V823 HydrophobicContact CG-CG1 3.99Å; P640-V823 HydrophobicContact CG-CG2 3.99Å
641	W	92.7	Very high	89	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-5.7	175.9	46.7	-103.2	0	0	0	113.5	L636 Y639 H643 F704 V706 I749 V750 L753 Y796 V816	L636-W641 HydrophobicContact CD2-CH2 4.14Å; Y639-W641 VanDerWaalsContact C-N 3.25Å; Y639-W641 VanDerWaalsContact CB-CZ2 3.45Å; Y639-W641 AromaticContact CD1-CE2 3.81Å; Y639-W641 AromaticContact CD1-CZ2 3.66Å; Y639-W641 HydrophobicContact CD1-CZ2 3.66Å; Y639-W641 AromaticContact CD1-NE1 3.6Å; Y639-W641 HydrophobicContact CD2-CH2 4.07Å; Y639-W641 AromaticContact CD2-CZ2 3.73Å; Y639-W641 HydrophobicContact CD2-CZ2 3.73Å; Y639-W641 HydrophobicContact CE1-CZ2 4.38Å; Y639-W641 HydrophobicContact CE2-CZ2 4.46Å; Y639-W641 AromaticContact CG-CE2 3.59Å; Y639-W641 HydrophobicContact CG-CH2 4Å; Y639-W641 AromaticContact CG-CZ2 3.29Å; Y639-W641 HydrophobicContact CG-CZ2 3.29Å; Y639-W641 AromaticContact CG-NE1 3.81Å; Y639-W641 PolarHBondContact O-N 3.26Å; W641-H643 PolarHBondContact O-CD2 2.81Å; W641-F704 HydrophobicContact CB-CE2 4.38Å; W641-V706 HydrophobicContact CE3-CB 3.72Å; W641-V706 HydrophobicContact CE3-CG2 3.6Å; W641-V706 HydrophobicContact CZ3-CB 3.85Å; W641-V706 HydrophobicContact CZ3-CG1 4.27Å; W641-V706 HydrophobicContact CZ3-CG2 3.79Å; W641-V706 PolarHBondContact O-N 2.87Å; W641-I749 HydrophobicContact CH2-CD1 4.09Å; W641-I749 HydrophobicContact CH2-CG1 4.43Å; W641-I749 HydrophobicContact CH2-CG2 3.97Å; W641-I749 HydrophobicContact CZ3-CD1 3.97Å; W641-V750 HydrophobicContact CZ2-CG2 4.05Å; W641-L753 HydrophobicContact CD2-CD1 3.98Å; W641-L753 HydrophobicContact CE3-CD1 4.11Å; W641-L753 HydrophobicContact CH2-CD1 4.12Å; W641-L753 HydrophobicContact CZ2-CD1 3.97Å; W641-L753 HydrophobicContact CZ3-CD1 4.18Å; W641-Y796 HydrophobicContact CB-CD2 3.66Å; W641-Y796 HydrophobicContact CB-CE2 4.42Å; W641-Y796 HydrophobicContact CB-CG 3.73Å; W641-V816 PolarHBondContact NE1-O 2.95Å
642	Y	94.2	Very high	89.8	Confident	9 Å²	9	43 Å²	43	4%	0.035	23%	0.225	C	C	.	.	B	Isolated β-bridge	trans	-95.2	126.2	176.7	-177.4	-110.8	0	0	0	110.9	G633 L636 Y639 P640 V706 F716 N799	G633-Y642 WeakPolarHBondContact O-CE1 3.41Å; L636-Y642 HydrophobicContact CB-CD1 3.73Å; L636-Y642 HydrophobicContact CB-CD2 4Å; L636-Y642 HydrophobicContact CB-CE1 3.9Å; L636-Y642 HydrophobicContact CB-CE2 4.18Å; L636-Y642 HydrophobicContact CB-CG 3.76Å; L636-Y642 HydrophobicContact CD1-CD2 4.18Å; L636-Y642 HydrophobicContact CD1-CE2 3.99Å; L636-Y642 WeakPolarHBondContact O-CB 3.48Å; Y639-Y642 PolarHBondContact O-N 3.33Å; Y639-Y642 VanDerWaalsContact O-N 3.13Å; P640-Y642 VanDerWaalsContact C-N 3.31Å; Y642-V706 WeakPolarHBondContact CA-O 3.41Å; Y642-V706 HydrophobicContact CD2-CB 4.3Å; Y642-V706 HydrophobicContact CD2-CG1 4.04Å; Y642-V706 HydrophobicContact CE2-CG1 4.5Å; Y642-F716 AromaticContact CE2-CD1 3.95Å; Y642-F716 HydrophobicContact CE2-CD1 3.95Å; Y642-F716 AromaticContact CE2-CE1 3.87Å; Y642-F716 HydrophobicContact CE2-CE1 3.87Å; Y642-N799 PolarHBondContact O-ND2 2.84Å
643	H	92.7	Very high	90.2	Very high	15 Å²	15	42.8 Å²	42.8	7%	0.069	23%	0.226	C	C	.	.			trans	-108.1	6.5	-173.8	-72.3	-121	0	0	0	113.5	W641 L646 Y654 V706 V797	W641-H643 PolarHBondContact O-CD2 2.81Å; H643-L646 HydrophobicContact CB-CB 4.08Å; H643-L646 HydrophobicContact CB-CD2 3.89Å; H643-L646 HydrophobicContact CB-CG 4.43Å; H643-Y654 AromaticContact CE1-CD2 3.89Å; H643-Y654 AromaticContact ND1-CD2 3.82Å; H643-Y654 AromaticContact ND1-CE2 3.85Å; H643-V706 PolarHBondContact N-O 3.39Å; H643-V797 PolarHBondContact NE2-O 2.78Å
644	G	91.6	Very high	90.6	Very high	18 Å²	18	43.8 Å²	43.8	19%	0.186	23%	0.227	C	C	.	.	S	Bend	trans	62.9	-143.4	-172.8	0	0	0	0	0	111.6	L646 R707 Q708	G644-L646 PolarHBondContact O-N 3.13Å; G644-L646 VanDerWaalsContact O-N 3.09Å; G644-R707 CarbonylContact O-C 3.5Å; G644-R707 WeakPolarHBondContact O-CA 3.5Å; G644-R707 WeakPolarHBondContact O-CB 3.26Å; G644-Q708 PolarHBondContact O-N 3.17Å
645	T	91.8	Very high	91.1	Very high	92 Å²	92	37.7 Å²	37.7	56%	0.564	20%	0.199	S	C	*	.	S	Bend	trans	-77.1	93.3	175.5	-47.6	0	0	0	0	110.3	Q708 E710	T645-Q708 PolarHBondContact OG1-OE1 3.35Å; T645-E710 HydrophobicContact CG2-CG 4.25Å
646	L	91.7	Very high	91.4	Very high	8 Å²	8	34.5 Å²	34.5	4%	0.042	18%	0.184	C	C	.	.			trans	-110.5	134.6	177.5	-167	71.6	0	0	0	110	H643 G644 R650 A651 Y654 L705 R707	H643-L646 HydrophobicContact CB-CB 4.08Å; H643-L646 HydrophobicContact CB-CD2 3.89Å; H643-L646 HydrophobicContact CB-CG 4.43Å; G644-L646 PolarHBondContact O-N 3.13Å; G644-L646 VanDerWaalsContact O-N 3.09Å; L646-R650 HydrophobicContact CD1-CB 4.16Å; L646-R650 HydrophobicContact CD1-CG 3.98Å; L646-R650 HydrophobicContact CG-CB 4.27Å; L646-A651 HydrophobicContact CD2-CB 3.76Å; L646-A651 HydrophobicContact CG-CB 4.26Å; L646-Y654 HydrophobicContact CD1-CE2 4.06Å; L646-Y654 HydrophobicContact CD2-CD2 3.85Å; L646-Y654 HydrophobicContact CD2-CE2 4.09Å; L646-L705 HydrophobicContact CD2-CD1 3.96Å; L646-L705 HydrophobicContact CD2-CD2 3.94Å; L646-R707 HydrophobicContact CB-CB 3.87Å; L646-R707 VanDerWaalsContact O-CD 3.32Å; L646-R707 WeakPolarHBondContact O-CD 3.3Å; L646-R707 PolarHBondContact O-NH1 2.84Å
647	S	93.7	Very high	91.1	Very high	24 Å²	24	34.6 Å²	34.6	17%	0.168	19%	0.186	C	C	.	.			trans	-66.5	149	-178.9	79.7	0	0	0	0	112.6	V649 R650 A651 E710	S647-V649 PolarHBondContact O-N 3.21Å; S647-R650 PolarHBondContact O-N 3.29Å; S647-R650 VanDerWaalsContact O-N 3.17Å; S647-R650 VanDerWaalsContact OG-CB 3.29Å; S647-R650 WeakPolarHBondContact OG-CB 3.05Å; S647-R650 PolarHBondContact OG-N 2.74Å; S647-R650 VanDerWaalsContact OG-N 3.13Å; S647-A651 VanDerWaalsContact O-CB 3.27Å; S647-A651 WeakPolarHBondContact O-CB 3.29Å; S647-A651 PolarHBondContact O-N 3.14Å; S647-E710 VanDerWaalsContact CA-CD 3.46Å; S647-E710 WeakPolarHBondContact CA-OE1 3.24Å; S647-E710 WeakPolarHBondContact CA-OE2 3.31Å; S647-E710 VanDerWaalsContact CB-OE1 3.23Å; S647-E710 WeakPolarHBondContact CB-OE1 3.38Å
648	R	93.8	Very high	90.7	Very high	156 Å²	156	37 Å²	37	59%	0.589	19%	0.19	S	C	*	.	H	α-helix	trans	-51.7	-43.1	177.2	-176.7	-178.5	176.9	166.8	-3.3	111.8	A652 E710 H728	R648-A652 WeakPolarHBondContact O-CB 3.43Å; R648-A652 PolarHBondContact O-N 2.75Å; R648-E710 PolarHBondContact N-OE2 3.47Å; R648-H728 WeakPolarHBondContact CG-NE2 3.15Å; R648-H728 PolarHBondContact NE-CD2 3.06Å; R648-H728 VanDerWaalsContact NE-CD2 3.3Å; R648-H728 PolarHBondContact NE-NE2 2.94Å
649	V	93.4	Very high	89.8	Confident	105 Å²	105	36 Å²	36	64%	0.636	19%	0.185	S	C	*	.	H	α-helix	trans	-66.5	-49.6	179.9	-179.4	0	0	0	0	110.3	S647 A651 A652 S653	S647-V649 PolarHBondContact O-N 3.21Å; V649-A651 VanDerWaalsContact C-N 3.33Å; V649-A651 PolarHBondContact O-N 2.69Å; V649-A652 WeakPolarHBondContact O-CB 3.49Å; V649-A652 PolarHBondContact O-N 3.21Å; V649-S653 PolarHBondContact O-N 3.34Å; V649-S653 PolarHBondContact O-OG 3.27Å
650	R	92.4	Very high	88.1	Confident	78 Å²	78	40.1 Å²	40.1	29%	0.294	21%	0.214	S	C	.	.	H	α-helix	trans	-64	-39.4	-179.4	-161.4	-179.9	-52.5	153.8	0.6	112.2	L646 S647 S653 Y654 E663	L646-R650 HydrophobicContact CD1-CB 4.16Å; L646-R650 HydrophobicContact CD1-CG 3.98Å; L646-R650 HydrophobicContact CG-CB 4.27Å; S647-R650 PolarHBondContact O-N 3.29Å; S647-R650 VanDerWaalsContact O-N 3.17Å; S647-R650 VanDerWaalsContact OG-CB 3.29Å; S647-R650 WeakPolarHBondContact OG-CB 3.05Å; S647-R650 PolarHBondContact OG-N 2.74Å; S647-R650 VanDerWaalsContact OG-N 3.13Å; R650-S653 WeakPolarHBondContact O-CB 3.49Å; R650-S653 PolarHBondContact O-N 3.27Å; R650-Y654 HydrophobicContact CG-CD1 4.44Å; R650-Y654 HydrophobicContact CG-CE1 3.91Å; R650-Y654 HydrophobicContact CG-CE2 4.39Å; R650-Y654 WeakPolarHBondContact O-CD1 3.3Å; R650-Y654 PolarHBondContact O-N 3.34Å; R650-E663 IonicContact CZ-OE1 3.81Å; R650-E663 IonicContact CZ-OE2 3.73Å; R650-E663 IonicContact NH2-OE1 2.75Å; R650-E663 PolarHBondContact NH2-OE1 2.78Å; R650-E663 IonicContact NH2-OE2 2.69Å; R650-E663 PolarHBondContact NH2-OE2 3.21Å
651	A	94.2	Very high	86.1	Confident	0 Å²	0	48 Å²	48	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-61	-43.4	174.6	0	0	0	0	0	112.3	L646 S647 V649 Y654 V655 L705 T719	L646-A651 HydrophobicContact CD2-CB 3.76Å; L646-A651 HydrophobicContact CG-CB 4.26Å; S647-A651 VanDerWaalsContact O-CB 3.27Å; S647-A651 WeakPolarHBondContact O-CB 3.29Å; S647-A651 PolarHBondContact O-N 3.14Å; V649-A651 VanDerWaalsContact C-N 3.33Å; V649-A651 PolarHBondContact O-N 2.69Å; A651-Y654 PolarHBondContact O-N 3.07Å; A651-V655 PolarHBondContact O-N 2.78Å; A651-V655 VanDerWaalsContact O-N 3.15Å; A651-L705 HydrophobicContact CB-CD1 4.07Å; A651-T719 HydrophobicContact CB-CG2 3.94Å
652	A	94.7	Very high	83.5	Confident	14 Å²	14	56.8 Å²	56.8	12%	0.116	29%	0.29	C	S	.	.	H	α-helix	trans	-61.5	-47.5	174.5	0	0	0	0	0	111.3	R648 V649 Y654 V655 L656 P726	R648-A652 WeakPolarHBondContact O-CB 3.43Å; R648-A652 PolarHBondContact O-N 2.75Å; V649-A652 WeakPolarHBondContact O-CB 3.49Å; V649-A652 PolarHBondContact O-N 3.21Å; A652-Y654 VanDerWaalsContact C-N 3.29Å; A652-Y654 PolarHBondContact O-N 3.1Å; A652-V655 WeakPolarHBondContact O-CG2 3.23Å; A652-V655 PolarHBondContact O-N 3.09Å; A652-L656 WeakPolarHBondContact O-CB 3.44Å; A652-L656 VanDerWaalsContact O-CG 3.24Å; A652-L656 WeakPolarHBondContact O-CG 3.38Å; A652-L656 PolarHBondContact O-N 3.37Å; A652-L656 VanDerWaalsContact O-N 3.09Å; A652-P726 HydrophobicContact CB-CB 3.63Å; A652-P726 HydrophobicContact CB-CG 3.69Å
653	S	91.2	Very high	80.7	Confident	14 Å²	14	63.5 Å²	63.5	10%	0.098	32%	0.321	C	S	.	.	H	α-helix	trans	-56.3	-43.1	176.5	-56.6	0	0	0	0	111.4	V649 R650 L656 G657 Q658	V649-S653 PolarHBondContact O-N 3.34Å; V649-S653 PolarHBondContact O-OG 3.27Å; R650-S653 WeakPolarHBondContact O-CB 3.49Å; R650-S653 PolarHBondContact O-N 3.27Å; S653-L656 CarbonylContact O-C 3.59Å; S653-L656 PolarHBondContact O-N 3.2Å; S653-G657 CarbonylContact O-C 3.47Å; S653-G657 WeakPolarHBondContact O-CA 3.48Å; S653-G657 PolarHBondContact O-N 3.47Å; S653-Q658 CarbonylContact C-O 3.38Å; S653-Q658 VanDerWaalsContact C-O 3.31Å; S653-Q658 WeakPolarHBondContact CB-O 3.17Å; S653-Q658 PolarHBondContact O-N 2.96Å; S653-Q658 VanDerWaalsContact O-O 3.04Å
654	Y	91.3	Very high	78.1	Confident	30 Å²	30	71.1 Å²	71.1	12%	0.118	36%	0.357	C	S	.	.	H	α-helix	trans	-66.2	-45	179.5	-73.7	3.2	0	0	0	114.2	H643 L646 R650 A651 A652 L656 G657 L659 L705 T800 L809	H643-Y654 AromaticContact CE1-CD2 3.89Å; H643-Y654 AromaticContact ND1-CD2 3.82Å; H643-Y654 AromaticContact ND1-CE2 3.85Å; L646-Y654 HydrophobicContact CD1-CE2 4.06Å; L646-Y654 HydrophobicContact CD2-CD2 3.85Å; L646-Y654 HydrophobicContact CD2-CE2 4.09Å; R650-Y654 HydrophobicContact CG-CD1 4.44Å; R650-Y654 HydrophobicContact CG-CE1 3.91Å; R650-Y654 HydrophobicContact CG-CE2 4.39Å; R650-Y654 WeakPolarHBondContact O-CD1 3.3Å; R650-Y654 PolarHBondContact O-N 3.34Å; A651-Y654 PolarHBondContact O-N 3.07Å; A652-Y654 VanDerWaalsContact C-N 3.29Å; A652-Y654 PolarHBondContact O-N 3.1Å; Y654-L656 VanDerWaalsContact C-N 3.3Å; Y654-L656 PolarHBondContact O-N 3.21Å; Y654-G657 WeakPolarHBondContact O-CA 3.19Å; Y654-G657 PolarHBondContact O-N 2.75Å; Y654-L659 HydrophobicContact CD1-CD2 4.32Å; Y654-L659 HydrophobicContact CE1-CD2 4Å; Y654-L705 HydrophobicContact CD2-CD2 4.13Å; Y654-L705 HydrophobicContact CG-CD2 4.49Å; Y654-T800 HydrophobicContact CE2-CG2 4.43Å; Y654-L809 HydrophobicContact CD1-CD1 4.19Å; Y654-L809 HydrophobicContact CD1-CD2 3.82Å; Y654-L809 HydrophobicContact CD2-CD2 4.36Å; Y654-L809 HydrophobicContact CE1-CD2 4.07Å; Y654-L809 HydrophobicContact CG-CD1 4.48Å; Y654-L809 HydrophobicContact CG-CD2 3.98Å; Y654-L809 WeakPolarHBondContact O-CD1 3.41Å
655	V	91.8	Very high	75.2	Confident	0 Å²	0	73.8 Å²	73.8	0%	0	38%	0.384	C	S	.	.	H	α-helix	trans	-72.3	-26.2	-179.6	-61	0	0	0	0	112.7	A651 A652 G657 V703 L705 T719 P726 V797	A651-V655 PolarHBondContact O-N 2.78Å; A651-V655 VanDerWaalsContact O-N 3.15Å; A652-V655 WeakPolarHBondContact O-CG2 3.23Å; A652-V655 PolarHBondContact O-N 3.09Å; V655-G657 VanDerWaalsContact C-N 3.27Å; V655-V703 HydrophobicContact CB-CG1 4.48Å; V655-L705 HydrophobicContact CG1-CD2 3.98Å; V655-L705 HydrophobicContact CG1-CG 4.03Å; V655-T719 HydrophobicContact CG1-CG2 4.09Å; V655-T719 HydrophobicContact CG2-CG2 4Å; V655-P726 HydrophobicContact CG2-CB 4.07Å; V655-V797 HydrophobicContact CG1-CG2 4.46Å
656	L	90.5	Very high	72.3	Confident	29 Å²	29	76.2 Å²	76.2	15%	0.152	40%	0.399	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-2.4	168.9	-58.9	175.6	0	0	0	112.3	A652 S653 Y654 Q658 G724 P726 Y844	A652-L656 WeakPolarHBondContact O-CB 3.44Å; A652-L656 VanDerWaalsContact O-CG 3.24Å; A652-L656 WeakPolarHBondContact O-CG 3.38Å; A652-L656 PolarHBondContact O-N 3.37Å; A652-L656 VanDerWaalsContact O-N 3.09Å; S653-L656 CarbonylContact O-C 3.59Å; S653-L656 PolarHBondContact O-N 3.2Å; Y654-L656 VanDerWaalsContact C-N 3.3Å; Y654-L656 PolarHBondContact O-N 3.21Å; L656-Q658 HydrophobicContact CB-CG 4.35Å; L656-Q658 PolarHBondContact O-N 3.07Å; L656-G724 WeakPolarHBondContact CD2-O 3.48Å; L656-P726 HydrophobicContact CD1-CB 4.46Å; L656-P726 HydrophobicContact CD1-CG 4.04Å; L656-P726 HydrophobicContact CG-CB 4.46Å; L656-Y844 PolarHBondContact O-OH 3.41Å
657	G	82.8	Confident	69.4	Low	6 Å²	6	82.1 Å²	82.1	6%	0.062	44%	0.435	C	S	.	.	T	Hydrogen-bonded Turn	trans	21.3	53.2	-156.7	0	0	0	0	0	118.9	S653 Y654 V655 Y844	S653-G657 CarbonylContact O-C 3.47Å; S653-G657 WeakPolarHBondContact O-CA 3.48Å; S653-G657 PolarHBondContact O-N 3.47Å; Y654-G657 WeakPolarHBondContact O-CA 3.19Å; Y654-G657 PolarHBondContact O-N 2.75Å; V655-G657 VanDerWaalsContact C-N 3.27Å; G657-Y844 WeakPolarHBondContact CA-OH 3.3Å; G657-Y844 PolarHBondContact N-OH 3.08Å; G657-Y844 VanDerWaalsContact N-OH 3.12Å; G657-Y844 PolarHBondContact O-OH 3.41Å
658	Q	77	Confident	66.2	Low	120 Å²	120	89.8 Å²	89.8	56%	0.561	47%	0.468	S	S	*	.			trans	-79.9	118.3	153.2	-62.2	171.3	-9	0	0	106.1	S653 L656	S653-Q658 CarbonylContact C-O 3.38Å; S653-Q658 VanDerWaalsContact C-O 3.31Å; S653-Q658 WeakPolarHBondContact CB-O 3.17Å; S653-Q658 PolarHBondContact O-N 2.96Å; S653-Q658 VanDerWaalsContact O-O 3.04Å; L656-Q658 HydrophobicContact CB-CG 4.35Å; L656-Q658 PolarHBondContact O-N 3.07Å
659	L	65.8	Low	63.4	Low	36 Å²	36	91.4 Å²	91.4	19%	0.188	48%	0.483	C	S	.	.			trans	-91.5	108.5	166.2	-74.3	172.7	0	0	0	106.9	Y654 E807 L809	Y654-L659 HydrophobicContact CD1-CD2 4.32Å; Y654-L659 HydrophobicContact CE1-CD2 4Å; L659-E807 WeakPolarHBondContact CD1-O 3.11Å; L659-L809 HydrophobicContact CD1-CG 4.37Å; L659-L809 HydrophobicContact CD2-CD1 4.01Å; L659-L809 HydrophobicContact CD2-CD2 3.91Å; L659-L809 HydrophobicContact CD2-CG 3.77Å; L659-L809 HydrophobicContact CG-CD1 4.22Å; L659-L809 HydrophobicContact CG-CG 4.14Å
660	S	53.7	Low	60.2	Low	88 Å²	88	94.7 Å²	94.7	62%	0.615	49%	0.49	S	S	*	.			trans	-89.8	112.4	172	59.1	0	0	0	0	109.1
661	E	48.1	Very low	57.3	Low	166 Å²	166	97.5 Å²	97.5	78%	0.776	51%	0.511	S	S	*	.			trans	-64	152.5	160.3	-64.2	171.8	166.7	0	0	108.7
662	F	37.6	Very low	54.3	Low	185 Å²	185	103.6 Å²	103.6	81%	0.811	55%	0.548	S	S	*	.			trans	98.9	81.1	-174.9	-68.9	-91	0	0	0	117.3
663	E	35.3	Very low	50.9	Low	150 Å²	150	109.1 Å²	109.1	70%	0.701	58%	0.584	S	S	*	*			trans	-131.2	91.7	135.8	-87.9	-179.2	-172	0	0	107.6	R650	R650-E663 IonicContact CZ-OE1 3.81Å; R650-E663 IonicContact CZ-OE2 3.73Å; R650-E663 IonicContact NH2-OE1 2.75Å; R650-E663 PolarHBondContact NH2-OE1 2.78Å; R650-E663 IonicContact NH2-OE2 2.69Å; R650-E663 PolarHBondContact NH2-OE2 3.21Å
664	H	38.4	Very low	48.2	Very low	175 Å²	175	114.6 Å²	114.6	81%	0.81	62%	0.62	S	S	*	*			trans	-94.8	123.9	158.9	-81.7	75.9	0	0	0	107.2
665	G	30.9	Very low	45.2	Very low	73 Å²	73	121 Å²	121	75%	0.753	65%	0.651	S	S	*	*			trans	-56.5	146.4	-178.9	0	0	0	0	0	113.1	T667	G665-T667 PolarHBondContact O-N 2.82Å
666	T	29.2	Very low	42.3	Very low	144 Å²	144	126.8 Å²	126.8	88%	0.883	69%	0.691	S	S	*	*			trans	-47.8	110.7	172.6	-23.9	0	0	0	0	111.8
667	T	31.5	Very low	39.5	Very low	131 Å²	131	130 Å²	130	80%	0.804	72%	0.722	S	S	*	*			trans	-149.4	108.8	146	-51.4	0	0	0	0	107.7	G665 Q669	G665-T667 PolarHBondContact O-N 2.82Å; T667-Q669 PolarHBondContact O-N 2.89Å
668	Q	27.7	Very low	36.8	Very low	185 Å²	185	140.2 Å²	140.2	86%	0.864	76%	0.759	S	S	*	*			trans	-64.7	112.3	172.8	-73.2	178.6	-16.2	0	0	109.5
669	Q	33.1	Very low	34.6	Very low	191 Å²	191	141.9 Å²	141.9	89%	0.893	77%	0.77	S	S	*	*			trans	-143.6	114.9	142.4	-71.3	-162.8	-0.5	0	0	110	T667	T667-Q669 PolarHBondContact O-N 2.89Å
670	H	26.6	Very low	32.6	Very low	173 Å²	173	144 Å²	144	80%	0.801	79%	0.788	S	S	*	*			trans	-47.4	123.6	168.4	176.8	-95.6	0	0	0	112.4
671	L	32.6	Very low	31.5	Very low	137 Å²	137	149.7 Å²	149.7	72%	0.717	80%	0.802	S	S	*	*			trans	164	118.9	137.9	-85.5	149.3	0	0	0	112.3
672	T	30.5	Very low	30.6	Very low	128 Å²	128	148.8 Å²	148.8	79%	0.785	80%	0.803	S	S	*	*			trans	61.4	113.6	149.9	55.6	0	0	0	0	120.7
673	C	23.7	Very low	30.1	Very low	130 Å²	130	144.8 Å²	144.8	88%	0.878	80%	0.798	S	S	*	*			trans	-69	158.4	164.7	-70.2	0	0	0	0	112.6
674	P	33.6	Very low	29.8	Very low	130 Å²	130	147 Å²	147	84%	0.844	81%	0.808	S	S	*	*				-128.6	148	129.7	34.4	-22.7	0	0	0	114.4
675	E	28.5	Very low	29.4	Very low	163 Å²	163	147 Å²	147	76%	0.762	81%	0.808	S	S	*	*			trans	-69	140.5	178.5	173.3	179.1	-174.3	0	0	114.2
676	S	30.5	Very low	29.4	Very low	122 Å²	122	150.9 Å²	150.9	85%	0.853	81%	0.812	S	S	*	*			trans	163.9	123.5	147.1	-75.5	0	0	0	0	107.8
677	A	32.1	Very low	29.3	Very low	98 Å²	98	150.1 Å²	150.1	81%	0.81	81%	0.807	S	S	*	*			cis	-147.4	127.5	35.7	0	0	0	0	0	111.4
678	R	27.3	Very low	29.4	Very low	219 Å²	219	149.9 Å²	149.9	83%	0.826	81%	0.806	S	S	*	*			trans	-83.2	129.6	159.3	-69.8	-177.4	179.8	176.3	1.5	108.2
679	I	30.8	Very low	29.4	Very low	155 Å²	155	148.3 Å²	148.3	80%	0.795	80%	0.803	S	S	*	*			trans	-113	102.8	150.9	-62.2	177.9	0	0	0	105.9
680	S	23.9	Very low	29.4	Very low	81 Å²	81	146.3 Å²	146.3	57%	0.566	80%	0.798	S	S	*	*			trans	-72.6	138.2	168.2	-55.3	0	0	0	0	109.6
681	F	29	Very low	29.5	Very low	207 Å²	207	142.6 Å²	142.6	91%	0.908	79%	0.791	S	S	*	*			trans	-130.8	122	141	-95.6	-79.7	0	0	0	108.3
682	N	29.5	Very low	29.4	Very low	148 Å²	148	143.8 Å²	143.8	79%	0.791	80%	0.798	S	S	*	*			trans	-74.9	152.7	-171.2	-76.6	-24.1	0	0	0	112.5
683	S	26.8	Very low	29.4	Very low	101 Å²	101	145.4 Å²	145.4	71%	0.706	80%	0.799	S	S	*	*			trans	-46	128.7	160.6	166.3	0	0	0	0	113.6
684	E	30.5	Very low	30	Very low	196 Å²	196	144.3 Å²	144.3	92%	0.916	79%	0.79	S	S	*	*			trans	-130.3	123.3	136.8	-84.5	-177.1	118.9	0	0	109
685	Q	29.7	Very low	30.1	Very low	174 Å²	174	143.9 Å²	143.9	81%	0.813	79%	0.787	S	S	*	*			trans	-61.5	127.2	173.3	-73.7	159.1	-27.4	0	0	109.3
686	N	29.4	Very low	30.3	Very low	156 Å²	156	140.6 Å²	140.6	83%	0.834	79%	0.788	S	S	*	*			trans	-147.1	110.8	139.7	-102.5	-25.1	0	0	0	109.5
687	T	28.5	Very low	31	Very low	127 Å²	127	142 Å²	142	78%	0.779	79%	0.785	S	S	*	*			trans	-41.5	125.6	164.9	40	0	0	0	0	112.5
688	T	33.5	Very low	32.2	Very low	126 Å²	126	139 Å²	139	77%	0.773	76%	0.759	S	S	*	*			trans	-162.7	122.5	144.8	12.6	0	0	0	0	108.9	L690	T688-L690 PolarHBondContact O-N 2.8Å
689	D	27.5	Very low	34.1	Very low	153 Å²	153	134.9 Å²	134.9	82%	0.818	76%	0.758	S	S	*	*			trans	-52.7	122.8	-178.3	-66.4	-64.2	0	0	0	113.3
690	L	33.1	Very low	36.5	Very low	149 Å²	149	128.2 Å²	128.2	78%	0.78	73%	0.725	S	S	*	*			trans	-136.1	53.1	163.2	-90.9	116	0	0	0	110.3	T688 N692	T688-L690 PolarHBondContact O-N 2.8Å; L690-N692 PolarHBondContact O-N 2.77Å
691	S	29.5	Very low	39.6	Very low	94 Å²	94	125.7 Å²	125.7	66%	0.657	70%	0.704	S	S	*	*			trans	-80	92.1	154.5	46.7	0	0	0	0	107.9
692	N	29.7	Very low	42.5	Very low	162 Å²	162	115.8 Å²	115.8	87%	0.866	66%	0.661	S	S	*	*			trans	164.2	76	155.4	-83.1	-23.1	0	0	0	110.5	L690	L690-N692 PolarHBondContact O-N 2.77Å
693	M	31.2	Very low	45.5	Very low	162 Å²	162	108.8 Å²	108.8	80%	0.798	62%	0.624	S	S	*	*			trans	-127.4	129.6	160.6	-88.8	-73.3	175.2	0	0	108
694	P	35.5	Very low	48.7	Very low	107 Å²	107	104 Å²	104	70%	0.695	59%	0.59	S	S	*	*			trans	-66	146.6	178.9	27.3	-29	0	0	0	109.2	A696	P694-A696 PolarHBondContact O-N 3.29Å
695	P	34.7	Very low	51.9	Low	121 Å²	121	94.7 Å²	94.7	79%	0.786	55%	0.547	S	S	*	.			trans	-62.5	117.1	-173.6	26.8	-32.1	0	0	0	108.6	L697	P695-L697 PolarHBondContact O-N 2.85Å
696	A	34.4	Very low	55	Low	95 Å²	95	86.4 Å²	86.4	79%	0.785	51%	0.508	S	S	*	.			trans	-56.4	115.4	167.9	0	0	0	0	0	107.4	P694 S698	P694-A696 PolarHBondContact O-N 3.29Å; A696-S698 PolarHBondContact O-N 3.24Å; A696-S698 VanDerWaalsContact O-N 3.13Å
697	L	43.8	Very low	58.1	Low	151 Å²	151	79.6 Å²	79.6	79%	0.791	47%	0.471	S	S	*	.			trans	-43.3	123.2	176.1	-107.4	79.5	0	0	0	108.7	P695 T699	P695-L697 PolarHBondContact O-N 2.85Å; L697-T699 PolarHBondContact O-N 3.29Å
698	S	57	Low	61.2	Low	35 Å²	35	75 Å²	75	25%	0.245	44%	0.44	C	S	.	.			trans	-64.1	127.5	-174.9	81.2	0	0	0	0	107.9	A696 T700 D701 G724	A696-S698 PolarHBondContact O-N 3.24Å; A696-S698 VanDerWaalsContact O-N 3.13Å; S698-T700 PolarHBondContact O-N 3.5Å; S698-T700 PolarHBondContact OG-OG1 2.8Å; S698-D701 PolarHBondContact N-OD2 3.05Å; S698-D701 PolarHBondContact O-N 3.47Å; S698-D701 PolarHBondContact OG-OD1 2.9Å; S698-D701 PolarHBondContact OG-OD2 2.71Å; S698-G724 WeakPolarHBondContact OG-CA 3.18Å; S698-G724 PolarHBondContact OG-N 3.23Å
699	T	68.1	Low	64	Low	133 Å²	133	69.5 Å²	69.5	82%	0.816	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-6.5	-174.3	52.3	0	0	0	0	113.6	L697	L697-T699 PolarHBondContact O-N 3.29Å
700	T	81.7	Confident	66.8	Low	15 Å²	15	67.3 Å²	67.3	9%	0.092	39%	0.392	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-5.1	-179.7	56.9	0	0	0	0	114	S698 G702 V703 S721	S698-T700 PolarHBondContact O-N 3.5Å; S698-T700 PolarHBondContact OG-OG1 2.8Å; T700-G702 PolarHBondContact O-N 3.49Å; T700-V703 WeakPolarHBondContact O-CB 3.41Å; T700-V703 WeakPolarHBondContact O-CG2 3.36Å; T700-V703 PolarHBondContact O-N 2.83Å; T700-S721 VanDerWaalsContact O-CB 3.27Å; T700-S721 WeakPolarHBondContact O-CB 3.34Å; T700-S721 PolarHBondContact OG1-OG 3.27Å
701	D	88.3	Confident	69.3	Low	27 Å²	27	66.2 Å²	66.2	14%	0.144	39%	0.392	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	133.2	-175.7	-74.4	-39.5	0	0	0	112.4	S698 V703 H723 G724 I791 S794	S698-D701 PolarHBondContact N-OD2 3.05Å; S698-D701 PolarHBondContact O-N 3.47Å; S698-D701 PolarHBondContact OG-OD1 2.9Å; S698-D701 PolarHBondContact OG-OD2 2.71Å; D701-V703 VanDerWaalsContact C-N 3.27Å; D701-V703 PolarHBondContact O-N 3.24Å; D701-H723 WeakPolarHBondContact OD1-CA 3.43Å; D701-H723 PolarHBondContact OD1-N 3.16Å; D701-G724 PolarHBondContact OD1-N 2.99Å; D701-G724 VanDerWaalsContact OD1-N 3.14Å; D701-I791 HydrophobicContact CB-CD1 4.27Å; D701-S794 PolarHBondContact O-OG 2.87Å
702	G	89.5	Confident	71.9	Confident	0 Å²	0	66.3 Å²	66.3	0%	0	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.7	2	-174.6	0	0	0	0	0	114.9	T700 S721 T792 S794 A795	T700-G702 PolarHBondContact O-N 3.49Å; G702-S721 PolarHBondContact N-O 2.87Å; G702-T792 VanDerWaalsContact CA-O 3.31Å; G702-T792 WeakPolarHBondContact CA-O 3.45Å; G702-S794 PolarHBondContact O-N 3.47Å; G702-A795 PolarHBondContact O-N 2.73Å
703	V	92.9	Very high	74.3	Confident	1 Å²	1	66.2 Å²	66.2	1%	0.006	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	131.6	170.8	176	0	0	0	0	109.5	V655 T700 D701 F720 S721 A795 V797 I811	V655-V703 HydrophobicContact CB-CG1 4.48Å; T700-V703 WeakPolarHBondContact O-CB 3.41Å; T700-V703 WeakPolarHBondContact O-CG2 3.36Å; T700-V703 PolarHBondContact O-N 2.83Å; D701-V703 VanDerWaalsContact C-N 3.27Å; D701-V703 PolarHBondContact O-N 3.24Å; V703-F720 CarbonylContact O-C 3.25Å; V703-F720 WeakPolarHBondContact O-CA 3.39Å; V703-S721 PolarHBondContact O-N 2.85Å; V703-A795 CarbonylContact C-O 3.43Å; V703-A795 VanDerWaalsContact CA-O 3.24Å; V703-A795 WeakPolarHBondContact CA-O 3.32Å; V703-A795 HydrophobicContact CG2-CB 4.35Å; V703-V797 HydrophobicContact CG1-CG2 3.59Å; V703-I811 HydrophobicContact CG1-CD1 4.13Å; V703-I811 HydrophobicContact CG1-CG1 4.49Å; V703-I811 HydrophobicContact CG2-CD1 4.07Å
704	F	95.3	Very high	76.5	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	168.4	-176.1	74.5	-86.4	0	0	0	115.1	W641 L718 T719 F720 L753 L793 A795 Y796 V797 V816	W641-F704 HydrophobicContact CB-CE2 4.38Å; F704-L718 HydrophobicContact CB-CD1 3.98Å; F704-L718 HydrophobicContact CD2-CD1 3.64Å; F704-L718 HydrophobicContact CG-CD1 4.12Å; F704-T719 CarbonylContact C-O 3.58Å; F704-T719 WeakPolarHBondContact CA-O 3.13Å; F704-T719 WeakPolarHBondContact CB-O 3.5Å; F704-F720 HydrophobicContact CB-CB 3.67Å; F704-L753 HydrophobicContact CD2-CD2 4.05Å; F704-L753 HydrophobicContact CE2-CD1 4.12Å; F704-L753 HydrophobicContact CE2-CD2 3.6Å; F704-L753 HydrophobicContact CE2-CG 4.41Å; F704-L753 HydrophobicContact CZ-CD2 4.23Å; F704-L793 HydrophobicContact CB-CD2 3.83Å; F704-L793 HydrophobicContact CD1-CB 3.76Å; F704-L793 HydrophobicContact CD1-CD1 3.94Å; F704-L793 HydrophobicContact CD1-CD2 3.79Å; F704-L793 HydrophobicContact CD1-CG 4.04Å; F704-L793 HydrophobicContact CD2-CD1 4.33Å; F704-L793 HydrophobicContact CE1-CB 3.85Å; F704-L793 HydrophobicContact CE1-CD1 4.05Å; F704-L793 HydrophobicContact CE1-CG 4.4Å; F704-L793 HydrophobicContact CE2-CD1 4.43Å; F704-L793 HydrophobicContact CG-CD1 4.09Å; F704-L793 HydrophobicContact CG-CD2 3.91Å; F704-L793 HydrophobicContact CG-CG 4.43Å; F704-L793 HydrophobicContact CZ-CD1 4.28Å; F704-A795 WeakPolarHBondContact CD1-O 3.13Å; F704-A795 WeakPolarHBondContact CE1-O 3.23Å; F704-A795 PolarHBondContact N-O 3.25Å; F704-Y796 HydrophobicContact CZ-CD1 4.36Å; F704-Y796 HydrophobicContact CZ-CG 4.46Å; F704-Y796 CarbonylContact O-C 3.54Å; F704-Y796 WeakPolarHBondContact O-CA 3.42Å; F704-V797 PolarHBondContact O-N 2.76Å; F704-V816 HydrophobicContact CE1-CG1 4.47Å; F704-V816 HydrophobicContact CZ-CG1 3.7Å
705	L	95.8	Very high	79.1	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	160	166.5	63.3	84.2	0	0	0	110	L646 A651 Y654 V655 R707 T719 V797	L646-L705 HydrophobicContact CD2-CD1 3.96Å; L646-L705 HydrophobicContact CD2-CD2 3.94Å; A651-L705 HydrophobicContact CB-CD1 4.07Å; Y654-L705 HydrophobicContact CD2-CD2 4.13Å; Y654-L705 HydrophobicContact CG-CD2 4.49Å; V655-L705 HydrophobicContact CG1-CD2 3.98Å; V655-L705 HydrophobicContact CG1-CG 4.03Å; L705-R707 HydrophobicContact CD1-CB 4.19Å; L705-R707 HydrophobicContact CD1-CG 4.47Å; L705-T719 PolarHBondContact N-O 3.31Å; L705-T719 PolarHBondContact O-N 3.33Å; L705-V797 HydrophobicContact CB-CB 4.46Å; L705-V797 HydrophobicContact CD2-CB 4.4Å
706	V	95.9	Very high	82	Confident	0 Å²	0	50 Å²	50	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	137.5	172.4	-178.4	0	0	0	0	109.4	W641 Y642 H643 L718 M731 I749 L753	W641-V706 HydrophobicContact CE3-CB 3.72Å; W641-V706 HydrophobicContact CE3-CG2 3.6Å; W641-V706 HydrophobicContact CZ3-CB 3.85Å; W641-V706 HydrophobicContact CZ3-CG1 4.27Å; W641-V706 HydrophobicContact CZ3-CG2 3.79Å; W641-V706 PolarHBondContact O-N 2.87Å; Y642-V706 WeakPolarHBondContact CA-O 3.41Å; Y642-V706 HydrophobicContact CD2-CB 4.3Å; Y642-V706 HydrophobicContact CD2-CG1 4.04Å; Y642-V706 HydrophobicContact CE2-CG1 4.5Å; H643-V706 PolarHBondContact N-O 3.39Å; V706-L718 HydrophobicContact CG2-CD1 4.13Å; V706-M731 HydrophobicContact CG1-CE 4.03Å; V706-M731 HydrophobicContact CG2-CE 4.43Å; V706-I749 HydrophobicContact CG1-CD1 3.88Å; V706-I749 HydrophobicContact CG2-CD1 4.33Å; V706-L753 HydrophobicContact CG2-CD1 4.36Å; V706-L753 HydrophobicContact CG2-CD2 4.29Å
707	R	95	Very high	84.9	Confident	13 Å²	13	45.9 Å²	45.9	5%	0.049	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	158.3	177.5	68.2	-166.6	-173	79.7	4.8	111.3	G644 L646 L705 E710 F716 V717 T719	G644-R707 CarbonylContact O-C 3.5Å; G644-R707 WeakPolarHBondContact O-CA 3.5Å; G644-R707 WeakPolarHBondContact O-CB 3.26Å; L646-R707 HydrophobicContact CB-CB 3.87Å; L646-R707 VanDerWaalsContact O-CD 3.32Å; L646-R707 WeakPolarHBondContact O-CD 3.3Å; L646-R707 PolarHBondContact O-NH1 2.84Å; L705-R707 HydrophobicContact CD1-CB 4.19Å; L705-R707 HydrophobicContact CD1-CG 4.47Å; R707-E710 IonicContact NH1-OE2 3.89Å; R707-F716 CarbonylContact O-C 3.6Å; R707-F716 WeakPolarHBondContact O-CA 3.4Å; R707-V717 HydrophobicContact CG-CB 3.96Å; R707-V717 PolarHBondContact N-O 3.04Å; R707-V717 PolarHBondContact O-N 2.89Å; R707-T719 PolarHBondContact NE-OG1 3.33Å
708	Q	93.6	Very high	87.3	Confident	30 Å²	30	38.8 Å²	38.8	14%	0.14	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	143.6	167.3	-167.5	170.8	5.4	0	0	110	G644 T645 F716	G644-Q708 PolarHBondContact O-N 3.17Å; T645-Q708 PolarHBondContact OG1-OE1 3.35Å; Q708-F716 HydrophobicContact CB-CD1 4.49Å; Q708-F716 HydrophobicContact CB-CE1 4.41Å; Q708-F716 HydrophobicContact CG-CE1 4.46Å
709	S	91.2	Very high	89.2	Confident	11 Å²	11	37.1 Å²	37.1	8%	0.077	20%	0.198	C	C	.	.			trans	-73	127.4	177.6	173.4	0	0	0	0	110.9	T711 K712 E715	S709-T711 PolarHBondContact OG-OG1 3.09Å; S709-K712 VanDerWaalsContact CB-O 3.26Å; S709-K712 WeakPolarHBondContact CB-O 3.35Å; S709-K712 PolarHBondContact OG-N 2.81Å; S709-K712 PolarHBondContact OG-O 3.3Å; S709-E715 WeakPolarHBondContact CB-O 3.36Å; S709-E715 PolarHBondContact N-O 3.43Å
710	E	87.6	Confident	90.5	Very high	107 Å²	107	30.8 Å²	30.8	50%	0.5	16%	0.159	S	C	.	.	S	Bend	trans	-73.6	-31.2	175.3	-64.7	171.9	120.9	0	0	112.3	T645 S647 R648 R707	T645-E710 HydrophobicContact CG2-CG 4.25Å; S647-E710 VanDerWaalsContact CA-CD 3.46Å; S647-E710 WeakPolarHBondContact CA-OE1 3.24Å; S647-E710 WeakPolarHBondContact CA-OE2 3.31Å; S647-E710 VanDerWaalsContact CB-OE1 3.23Å; S647-E710 WeakPolarHBondContact CB-OE1 3.38Å; R648-E710 PolarHBondContact N-OE2 3.47Å; R707-E710 IonicContact NH1-OE2 3.89Å
711	T	84.2	Confident	91	Very high	127 Å²	127	30.1 Å²	30.1	78%	0.779	16%	0.155	S	C	*	.	S	Bend	trans	-91.9	-19.8	-170.9	51.5	0	0	0	0	113.7	S709	S709-T711 PolarHBondContact OG-OG1 3.09Å
712	K	84.5	Confident	91.1	Very high	95 Å²	95	29 Å²	29	41%	0.413	15%	0.149	S	C	.	.	S	Bend	trans	-143.3	112.3	-172.8	-67.5	-170.3	176.5	-152.7	0	109.7	S709 E715 R730	S709-K712 VanDerWaalsContact CB-O 3.26Å; S709-K712 WeakPolarHBondContact CB-O 3.35Å; S709-K712 PolarHBondContact OG-N 2.81Å; S709-K712 PolarHBondContact OG-O 3.3Å; K712-E715 HydrophobicContact CB-CB 4.47Å; K712-E715 WeakPolarHBondContact CB-OE2 3.46Å; K712-E715 WeakPolarHBondContact CD-OE2 3.4Å; K712-R730 VanDerWaalsContact NZ-CZ 3.32Å; K712-R730 VanDerWaalsContact NZ-NH1 3.12Å
713	Q	80.2	Confident	91	Very high	161 Å²	161	32.6 Å²	32.6	75%	0.752	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.1	136.5	172.7	-74.6	-176.6	-5.7	0	0	109.7	E629 E715	E629-Q713 VanDerWaalsContact OE1-CB 3.23Å; E629-Q713 WeakPolarHBondContact OE1-CB 3.14Å; E629-Q713 VanDerWaalsContact OE2-CA 3.3Å; E629-Q713 WeakPolarHBondContact OE2-CA 3.44Å; E629-Q713 WeakPolarHBondContact OE2-CB 3.44Å; Q713-E715 VanDerWaalsContact C-N 3.33Å; Q713-E715 PolarHBondContact O-N 2.92Å
714	G	77.7	Confident	90.6	Very high	18 Å²	18	34.2 Å²	34.2	19%	0.186	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.4	1.9	174.2	0	0	0	0	0	114.4	E629	E629-G714 VanDerWaalsContact CD-CA 3.43Å; E629-G714 VanDerWaalsContact OE1-CA 3.23Å; E629-G714 WeakPolarHBondContact OE1-CA 3.32Å; E629-G714 PolarHBondContact OE1-N 2.85Å; E629-G714 PolarHBondContact OE2-N 2.68Å
715	E	90.3	Very high	90.3	Very high	27 Å²	27	41.2 Å²	41.2	13%	0.126	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	153	-176.2	-65.1	-177.9	135.8	0	0	112.5	S709 K712 Q713 R730	S709-E715 WeakPolarHBondContact CB-O 3.36Å; S709-E715 PolarHBondContact N-O 3.43Å; K712-E715 HydrophobicContact CB-CB 4.47Å; K712-E715 WeakPolarHBondContact CB-OE2 3.46Å; K712-E715 WeakPolarHBondContact CD-OE2 3.4Å; Q713-E715 VanDerWaalsContact C-N 3.33Å; Q713-E715 PolarHBondContact O-N 2.92Å; E715-R730 VanDerWaalsContact CD-CZ 3.47Å; E715-R730 IonicContact OE1-CZ 3.71Å; E715-R730 IonicContact OE1-NE 3.43Å; E715-R730 PolarHBondContact OE1-NE 3.09Å; E715-R730 IonicContact OE1-NH2 2.76Å; E715-R730 PolarHBondContact OE1-NH2 3.18Å; E715-R730 IonicContact OE2-CZ 3.05Å; E715-R730 IonicContact OE2-NE 2.71Å; E715-R730 PolarHBondContact OE2-NE 2.86Å; E715-R730 IonicContact OE2-NH2 2.55Å; E715-R730 PolarHBondContact OE2-NH2 3.41Å
716	F	94.4	Very high	90.2	Very high	4 Å²	4	43.3 Å²	43.3	2%	0.018	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	158.9	-176.9	-64.5	-94.2	0	0	0	109.3	I632 L636 Y642 R707 Q708 M731 L733	I632-F716 HydrophobicContact CB-CZ 4.3Å; I632-F716 HydrophobicContact CG2-CE2 3.99Å; I632-F716 HydrophobicContact CG2-CZ 3.66Å; L636-F716 HydrophobicContact CD1-CD1 4.04Å; L636-F716 HydrophobicContact CD1-CE1 3.65Å; L636-F716 HydrophobicContact CD1-CZ 4.08Å; Y642-F716 AromaticContact CE2-CD1 3.95Å; Y642-F716 HydrophobicContact CE2-CD1 3.95Å; Y642-F716 AromaticContact CE2-CE1 3.87Å; Y642-F716 HydrophobicContact CE2-CE1 3.87Å; R707-F716 CarbonylContact O-C 3.6Å; R707-F716 WeakPolarHBondContact O-CA 3.4Å; Q708-F716 HydrophobicContact CB-CD1 4.49Å; Q708-F716 HydrophobicContact CB-CE1 4.41Å; Q708-F716 HydrophobicContact CG-CE1 4.46Å; F716-M731 HydrophobicContact CB-CE 4.32Å; F716-M731 HydrophobicContact CB-CG 3.6Å; F716-M731 HydrophobicContact CB-SD 4.07Å; F716-M731 PolarHBondContact N-O 3.13Å; F716-M731 PolarHBondContact O-N 2.62Å; F716-M731 VanDerWaalsContact O-O 3.14Å; F716-L733 HydrophobicContact CD1-CD1 4.38Å; F716-L733 HydrophobicContact CD2-CB 4Å; F716-L733 HydrophobicContact CD2-CD1 3.42Å; F716-L733 VanDerWaalsContact CD2-CD1 3.42Å; F716-L733 HydrophobicContact CD2-CG 3.61Å; F716-L733 HydrophobicContact CE1-CD1 4.48Å; F716-L733 HydrophobicContact CE2-CB 4.01Å; F716-L733 HydrophobicContact CE2-CD1 3.57Å; F716-L733 HydrophobicContact CE2-CG 4.01Å; F716-L733 HydrophobicContact CG-CD1 3.87Å; F716-L733 HydrophobicContact CG-CG 4.31Å; F716-L733 HydrophobicContact CZ-CD1 4.11Å
717	V	95.2	Very high	90.1	Very high	9 Å²	9	45.8 Å²	45.8	6%	0.055	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	119.1	-177.8	-174.2	0	0	0	0	109.1	R707 H728 L729	R707-V717 HydrophobicContact CG-CB 3.96Å; R707-V717 PolarHBondContact N-O 3.04Å; R707-V717 PolarHBondContact O-N 2.89Å; V717-H728 HydrophobicContact CG1-CB 3.81Å; V717-L729 CarbonylContact C-O 3.58Å; V717-L729 WeakPolarHBondContact CA-O 3.49Å
718	L	95.8	Very high	90.1	Very high	1 Å²	1	47.7 Å²	47.7	1%	0.005	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	114	165.4	175.3	62.8	0	0	0	107.5	F704 V706 F720 H728 L729 M731 M752 L753 F756 I761 L793	F704-L718 HydrophobicContact CB-CD1 3.98Å; F704-L718 HydrophobicContact CD2-CD1 3.64Å; F704-L718 HydrophobicContact CG-CD1 4.12Å; V706-L718 HydrophobicContact CG2-CD1 4.13Å; L718-F720 HydrophobicContact CD2-CD1 4.47Å; L718-F720 HydrophobicContact CG-CD1 4.19Å; L718-H728 WeakPolarHBondContact O-CA 3.22Å; L718-L729 HydrophobicContact CB-CB 4.29Å; L718-L729 HydrophobicContact CD2-CD2 4.34Å; L718-L729 PolarHBondContact N-O 2.86Å; L718-L729 PolarHBondContact O-N 3.01Å; L718-M731 HydrophobicContact CB-CE 3.48Å; L718-M731 VanDerWaalsContact CB-CE 3.48Å; L718-M752 HydrophobicContact CD2-SD 4.28Å; L718-L753 HydrophobicContact CD1-CD2 3.87Å; L718-F756 HydrophobicContact CD2-CD2 4.5Å; L718-I761 HydrophobicContact CD2-CD1 4.3Å; L718-L793 HydrophobicContact CD2-CD1 4.28Å
719	T	95.7	Very high	90.1	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	126.3	173.8	-58	0	0	0	0	108.4	A651 V655 F704 L705 R707 K727 H728	A651-T719 HydrophobicContact CB-CG2 3.94Å; V655-T719 HydrophobicContact CG1-CG2 4.09Å; V655-T719 HydrophobicContact CG2-CG2 4Å; F704-T719 CarbonylContact C-O 3.58Å; F704-T719 WeakPolarHBondContact CA-O 3.13Å; F704-T719 WeakPolarHBondContact CB-O 3.5Å; L705-T719 PolarHBondContact N-O 3.31Å; L705-T719 PolarHBondContact O-N 3.33Å; R707-T719 PolarHBondContact NE-OG1 3.33Å; T719-K727 WeakPolarHBondContact CA-O 3.4Å; T719-H728 VanDerWaalsContact CG2-CE1 3.46Å; T719-H728 WeakPolarHBondContact CG2-CE1 3.04Å; T719-H728 VanDerWaalsContact CG2-ND1 3.35Å; T719-H728 WeakPolarHBondContact CG2-ND1 2.84Å; T719-H728 PolarHBondContact OG1-ND1 2.93Å
720	F	94.7	Very high	90.1	Very high	1 Å²	1	51.7 Å²	51.7	0%	0.004	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	153.9	-177.8	66.6	-81.5	0	0	0	111.9	V703 F704 L718 C722 K727 L729 I761 L763 L793	V703-F720 CarbonylContact O-C 3.25Å; V703-F720 WeakPolarHBondContact O-CA 3.39Å; F704-F720 HydrophobicContact CB-CB 3.67Å; L718-F720 HydrophobicContact CD2-CD1 4.47Å; L718-F720 HydrophobicContact CG-CD1 4.19Å; F720-C722 HydrophobicContact CD2-CB 4.06Å; F720-C722 HydrophobicContact CE2-CB 3.74Å; F720-K727 HydrophobicContact CD1-CB 4.26Å; F720-K727 HydrophobicContact CD2-CB 4.4Å; F720-K727 HydrophobicContact CE1-CB 3.7Å; F720-K727 HydrophobicContact CE2-CB 3.87Å; F720-K727 HydrophobicContact CE2-CD 4.06Å; F720-K727 HydrophobicContact CE2-CG 4.46Å; F720-K727 HydrophobicContact CZ-CB 3.47Å; F720-K727 VanDerWaalsContact CZ-CB 3.47Å; F720-K727 HydrophobicContact CZ-CD 3.93Å; F720-K727 HydrophobicContact CZ-CG 4.31Å; F720-K727 PolarHBondContact N-O 3.39Å; F720-K727 PolarHBondContact O-N 3.37Å; F720-L729 HydrophobicContact CE1-CB 4.16Å; F720-I761 HydrophobicContact CD1-CD1 4.08Å; F720-I761 HydrophobicContact CD2-CD1 4.18Å; F720-I761 HydrophobicContact CE1-CD1 3.83Å; F720-I761 HydrophobicContact CE2-CD1 3.92Å; F720-I761 HydrophobicContact CG-CD1 4.25Å; F720-I761 HydrophobicContact CZ-CD1 3.75Å; F720-I761 HydrophobicContact CZ-CG2 4.45Å; F720-L763 HydrophobicContact CE2-CD1 4.08Å; F720-L763 HydrophobicContact CZ-CD1 4Å; F720-L763 HydrophobicContact CZ-CD2 3.83Å; F720-L793 HydrophobicContact CB-CD2 4.01Å; F720-L793 HydrophobicContact CG-CD2 4.37Å
721	S	92.5	Very high	90.4	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	129	176.3	-174.4	0	0	0	0	110.7	T700 G702 V703	T700-S721 VanDerWaalsContact O-CB 3.27Å; T700-S721 WeakPolarHBondContact O-CB 3.34Å; T700-S721 PolarHBondContact OG1-OG 3.27Å; G702-S721 PolarHBondContact N-O 2.87Å; V703-S721 PolarHBondContact O-N 2.85Å
722	C	90.9	Very high	90.7	Very high	3 Å²	3	43.5 Å²	43.5	2%	0.02	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	117.1	178.9	164.3	0	0	0	0	110.5	F720 G724 K725 K727 I791	F720-C722 HydrophobicContact CD2-CB 4.06Å; F720-C722 HydrophobicContact CE2-CB 3.74Å; C722-G724 VanDerWaalsContact C-N 3.27Å; C722-G724 PolarHBondContact O-N 3.4Å; C722-K725 PolarHBondContact N-O 3.13Å; C722-K725 PolarHBondContact O-N 3.28Å; C722-K725 VanDerWaalsContact O-O 3.12Å; C722-K727 HydrophobicContact CB-CD 3.78Å; C722-K727 HydrophobicContact CB-CG 4.18Å; C722-K727 WeakPolarHBondContact SG-CE 3.46Å; C722-K727 PolarHBondContact SG-NZ 2.61Å; C722-I791 VanDerWaalsContact CA-CD1 3.48Å; C722-I791 HydrophobicContact CB-CD1 3.76Å; C722-I791 VanDerWaalsContact SG-CD1 3.55Å
723	H	87	Confident	91	Very high	77 Å²	77	39.6 Å²	39.6	36%	0.356	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.7	43.8	-176.2	-59.3	-60.1	0	0	0	111.8	D701 K725 T789	D701-H723 WeakPolarHBondContact OD1-CA 3.43Å; D701-H723 PolarHBondContact OD1-N 3.16Å; H723-K725 PolarHBondContact O-N 3.32Å; H723-T789 PolarHBondContact CE1-O 2.98Å; H723-T789 PolarHBondContact CE1-OG1 2.82Å; H723-T789 PolarHBondContact NE2-O 3.39Å
724	G	84.6	Confident	91.2	Very high	34 Å²	34	33.7 Å²	33.7	35%	0.351	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.3	11	-177.2	0	0	0	0	0	114.9	L656 S698 D701 C722	L656-G724 WeakPolarHBondContact CD2-O 3.48Å; S698-G724 WeakPolarHBondContact OG-CA 3.18Å; S698-G724 PolarHBondContact OG-N 3.23Å; D701-G724 PolarHBondContact OD1-N 2.99Å; D701-G724 VanDerWaalsContact OD1-N 3.14Å; C722-G724 VanDerWaalsContact C-N 3.27Å; C722-G724 PolarHBondContact O-N 3.4Å
725	K	90.4	Very high	91.2	Very high	148 Å²	148	37.9 Å²	37.9	64%	0.643	20%	0.201	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-117.7	140	177.2	-67.1	-178.6	-179.3	177.5	0	110.9	C722 H723 K727	C722-K725 PolarHBondContact N-O 3.13Å; C722-K725 PolarHBondContact O-N 3.28Å; C722-K725 VanDerWaalsContact O-O 3.12Å; H723-K725 PolarHBondContact O-N 3.32Å; K725-K727 PolarHBondContact O-N 2.91Å
726	P	93.2	Very high	90.7	Very high	44 Å²	44	41.4 Å²	41.4	29%	0.286	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	128.9	175.9	32.3	-29.6	0	0	0	108.9	A652 V655 L656	A652-P726 HydrophobicContact CB-CB 3.63Å; A652-P726 HydrophobicContact CB-CG 3.69Å; V655-P726 HydrophobicContact CG2-CB 4.07Å; L656-P726 HydrophobicContact CD1-CB 4.46Å; L656-P726 HydrophobicContact CD1-CG 4.04Å; L656-P726 HydrophobicContact CG-CB 4.46Å
727	K	94.3	Very high	90.1	Very high	51 Å²	51	42.8 Å²	42.8	22%	0.222	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	147	171.3	-70.2	-171.3	177	179.7	0	109.3	T719 F720 C722 K725 L763	T719-K727 WeakPolarHBondContact CA-O 3.4Å; F720-K727 HydrophobicContact CD1-CB 4.26Å; F720-K727 HydrophobicContact CD2-CB 4.4Å; F720-K727 HydrophobicContact CE1-CB 3.7Å; F720-K727 HydrophobicContact CE2-CB 3.87Å; F720-K727 HydrophobicContact CE2-CD 4.06Å; F720-K727 HydrophobicContact CE2-CG 4.46Å; F720-K727 HydrophobicContact CZ-CB 3.47Å; F720-K727 VanDerWaalsContact CZ-CB 3.47Å; F720-K727 HydrophobicContact CZ-CD 3.93Å; F720-K727 HydrophobicContact CZ-CG 4.31Å; F720-K727 PolarHBondContact N-O 3.39Å; F720-K727 PolarHBondContact O-N 3.37Å; C722-K727 HydrophobicContact CB-CD 3.78Å; C722-K727 HydrophobicContact CB-CG 4.18Å; C722-K727 WeakPolarHBondContact SG-CE 3.46Å; C722-K727 PolarHBondContact SG-NZ 2.61Å; K725-K727 PolarHBondContact O-N 2.91Å; K727-L763 HydrophobicContact CD-CD1 3.71Å; K727-L763 HydrophobicContact CD-CD2 4.11Å; K727-L763 HydrophobicContact CD-CG 4.46Å
728	H	93.5	Very high	89.6	Confident	54 Å²	54	46 Å²	46	25%	0.25	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	117.4	-179.5	-54.3	-79.3	0	0	0	108.5	R648 V717 L718 T719	R648-H728 WeakPolarHBondContact CG-NE2 3.15Å; R648-H728 PolarHBondContact NE-CD2 3.06Å; R648-H728 VanDerWaalsContact NE-CD2 3.3Å; R648-H728 PolarHBondContact NE-NE2 2.94Å; V717-H728 HydrophobicContact CG1-CB 3.81Å; L718-H728 WeakPolarHBondContact O-CA 3.22Å; T719-H728 VanDerWaalsContact CG2-CE1 3.46Å; T719-H728 WeakPolarHBondContact CG2-CE1 3.04Å; T719-H728 VanDerWaalsContact CG2-ND1 3.35Å; T719-H728 WeakPolarHBondContact CG2-ND1 2.84Å; T719-H728 PolarHBondContact OG1-ND1 2.93Å
729	L	93.1	Very high	89.4	Confident	13 Å²	13	45.9 Å²	45.9	7%	0.068	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	118.2	178.2	-178.4	60.4	0	0	0	108.5	V717 L718 F720 V741 Q742 F756 I761	V717-L729 CarbonylContact C-O 3.58Å; V717-L729 WeakPolarHBondContact CA-O 3.49Å; L718-L729 HydrophobicContact CB-CB 4.29Å; L718-L729 HydrophobicContact CD2-CD2 4.34Å; L718-L729 PolarHBondContact N-O 2.86Å; L718-L729 PolarHBondContact O-N 3.01Å; F720-L729 HydrophobicContact CE1-CB 4.16Å; L729-V741 HydrophobicContact CD1-CG1 3.79Å; L729-V741 HydrophobicContact CD2-CG1 3.42Å; L729-V741 VanDerWaalsContact CD2-CG1 3.42Å; L729-V741 HydrophobicContact CG-CG1 3.55Å; L729-Q742 HydrophobicContact CD1-CG 4.28Å; L729-F756 HydrophobicContact CD2-CE2 4.37Å; L729-I761 HydrophobicContact CD2-CG2 3.83Å
730	R	92.9	Very high	89.1	Confident	111 Å²	111	53.4 Å²	53.4	42%	0.419	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	138.2	-179.8	-176.4	169.3	155.3	-136.6	-9.1	109.7	K712 E715	K712-R730 VanDerWaalsContact NZ-CZ 3.32Å; K712-R730 VanDerWaalsContact NZ-NH1 3.12Å; E715-R730 VanDerWaalsContact CD-CZ 3.47Å; E715-R730 IonicContact OE1-CZ 3.71Å; E715-R730 IonicContact OE1-NE 3.43Å; E715-R730 PolarHBondContact OE1-NE 3.09Å; E715-R730 IonicContact OE1-NH2 2.76Å; E715-R730 PolarHBondContact OE1-NH2 3.18Å; E715-R730 IonicContact OE2-CZ 3.05Å; E715-R730 IonicContact OE2-NE 2.71Å; E715-R730 PolarHBondContact OE2-NE 2.86Å; E715-R730 IonicContact OE2-NH2 2.55Å; E715-R730 PolarHBondContact OE2-NH2 3.41Å
731	M	92.8	Very high	88.9	Confident	2 Å²	2	53.5 Å²	53.5	1%	0.01	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	150.9	179.5	75.6	-173	92.6	0	0	110.2	V706 F716 L718 R740 V741 I749 M752	V706-M731 HydrophobicContact CG1-CE 4.03Å; V706-M731 HydrophobicContact CG2-CE 4.43Å; F716-M731 HydrophobicContact CB-CE 4.32Å; F716-M731 HydrophobicContact CB-CG 3.6Å; F716-M731 HydrophobicContact CB-SD 4.07Å; F716-M731 PolarHBondContact N-O 3.13Å; F716-M731 PolarHBondContact O-N 2.62Å; F716-M731 VanDerWaalsContact O-O 3.14Å; L718-M731 HydrophobicContact CB-CE 3.48Å; L718-M731 VanDerWaalsContact CB-CE 3.48Å; M731-R740 WeakPolarHBondContact CA-O 3.48Å; M731-V741 HydrophobicContact CB-CG2 3.73Å; M731-I749 HydrophobicContact SD-CD1 3.76Å; M731-I749 HydrophobicContact SD-CG1 4.05Å; M731-M752 HydrophobicContact CE-CE 3.94Å; M731-M752 HydrophobicContact SD-CE 3.62Å
732	T	91.3	Very high	88.6	Confident	61 Å²	61	58.7 Å²	58.7	37%	0.374	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	131.9	174.5	-53.3	0	0	0	0	108.2	R740	T732-R740 PolarHBondContact N-O 2.89Å; T732-R740 PolarHBondContact O-N 2.7Å
733	L	89.5	Confident	88.2	Confident	13 Å²	13	67 Å²	67	7%	0.068	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	124.7	173	-64.1	-177.9	0	0	0	108.6	I632 L636 F716 C739 I749	I632-L733 HydrophobicContact CD1-CB 4.39Å; I632-L733 HydrophobicContact CG2-CD1 3.93Å; L636-L733 HydrophobicContact CD1-CD1 3.8Å; F716-L733 HydrophobicContact CD1-CD1 4.38Å; F716-L733 HydrophobicContact CD2-CB 4Å; F716-L733 HydrophobicContact CD2-CD1 3.42Å; F716-L733 VanDerWaalsContact CD2-CD1 3.42Å; F716-L733 HydrophobicContact CD2-CG 3.61Å; F716-L733 HydrophobicContact CE1-CD1 4.48Å; F716-L733 HydrophobicContact CE2-CB 4.01Å; F716-L733 HydrophobicContact CE2-CD1 3.57Å; F716-L733 HydrophobicContact CE2-CG 4.01Å; F716-L733 HydrophobicContact CG-CD1 3.87Å; F716-L733 HydrophobicContact CG-CG 4.31Å; F716-L733 HydrophobicContact CZ-CD1 4.11Å; L733-C739 HydrophobicContact CD2-CB 3.55Å; L733-C739 VanDerWaalsContact CD2-SG 3.58Å; L733-I749 HydrophobicContact CD1-CD1 4.23Å; L733-I749 HydrophobicContact CD2-CB 4.06Å
734	S	85.7	Confident	88.3	Confident	37 Å²	37	66.4 Å²	66.4	26%	0.259	34%	0.34	S	S	.	.			trans	-81.4	157.8	175.3	-69.5	0	0	0	0	110.9	D736 G737 H738	S734-D736 WeakPolarHBondContact CB-OD1 3.23Å; S734-D736 PolarHBondContact O-N 2.83Å; S734-G737 PolarHBondContact O-N 2.96Å; S734-H738 PolarHBondContact N-O 3.09Å
735	P	78.2	Confident	88.5	Confident	105 Å²	105	69.2 Å²	69.2	68%	0.682	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-29.2	175.7	-23.2	28.8	0	0	0	116.1	F628 G737	F628-P735 HydrophobicContact CE1-CG 4.13Å; F628-P735 HydrophobicContact CE2-CB 3.44Å; F628-P735 VanDerWaalsContact CE2-CB 3.44Å; F628-P735 HydrophobicContact CE2-CG 3.68Å; F628-P735 HydrophobicContact CZ-CB 3.48Å; F628-P735 VanDerWaalsContact CZ-CB 3.48Å; F628-P735 HydrophobicContact CZ-CG 3.33Å; P735-G737 VanDerWaalsContact C-N 3.26Å
736	D	79.5	Confident	88.6	Confident	102 Å²	102	63 Å²	63	55%	0.545	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-3.8	178.5	55.3	7.9	0	0	0	113.1	S734 H738	S734-D736 WeakPolarHBondContact CB-OD1 3.23Å; S734-D736 PolarHBondContact O-N 2.83Å; D736-H738 IonicContact OD1-CG 3.25Å; D736-H738 PolarHBondContact OD1-N 3.17Å; D736-H738 VanDerWaalsContact OD1-N 3.16Å; D736-H738 IonicContact OD1-ND1 3.35Å; D736-H738 PolarHBondContact OD1-ND1 3.05Å; D736-H738 IonicContact OD2-CE1 3.38Å; D736-H738 PolarHBondContact OD2-CE1 3.33Å; D736-H738 IonicContact OD2-CG 3.64Å; D736-H738 IonicContact OD2-ND1 2.64Å; D736-H738 PolarHBondContact OD2-ND1 2.87Å
737	G	80.8	Confident	88.3	Confident	32 Å²	32	66 Å²	66	33%	0.33	34%	0.339	S	S	.	.	S	Bend	trans	95.3	-7.1	179.4	0	0	0	0	0	114.8	S734 P735 C739 D747 S748	S734-G737 PolarHBondContact O-N 2.96Å; P735-G737 VanDerWaalsContact C-N 3.26Å; G737-C739 PolarHBondContact O-N 3.46Å; G737-D747 CarbonylContact C-O 3.56Å; G737-S748 WeakPolarHBondContact O-CA 3.44Å
738	H	85.3	Confident	88	Confident	76 Å²	76	64.6 Å²	64.6	35%	0.352	34%	0.335	S	S	.	.			trans	-64.1	137	178.3	-65.5	88.6	0	0	0	110.6	S734 D736	S734-H738 PolarHBondContact N-O 3.09Å; D736-H738 IonicContact OD1-CG 3.25Å; D736-H738 PolarHBondContact OD1-N 3.17Å; D736-H738 VanDerWaalsContact OD1-N 3.16Å; D736-H738 IonicContact OD1-ND1 3.35Å; D736-H738 PolarHBondContact OD1-ND1 3.05Å; D736-H738 IonicContact OD2-CE1 3.38Å; D736-H738 PolarHBondContact OD2-CE1 3.33Å; D736-H738 IonicContact OD2-CG 3.64Å; D736-H738 IonicContact OD2-ND1 2.64Å; D736-H738 PolarHBondContact OD2-ND1 2.87Å
739	C	90.4	Very high	87.9	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	131.2	179.1	-176.6	0	0	0	0	109.8	L733 G737 F746	L733-C739 HydrophobicContact CD2-CB 3.55Å; L733-C739 VanDerWaalsContact CD2-SG 3.58Å; G737-C739 PolarHBondContact O-N 3.46Å; C739-F746 HydrophobicContact CB-CB 4.29Å; C739-F746 PolarHBondContact N-O 3.4Å; C739-F746 PolarHBondContact O-N 3.18Å
740	R	91	Very high	87.7	Confident	158 Å²	158	61.6 Å²	61.6	60%	0.596	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.9	127.3	172.4	-72.4	-175.8	171.6	-171.9	-2.1	110.2	M731 T732 P745	M731-R740 WeakPolarHBondContact CA-O 3.48Å; T732-R740 PolarHBondContact N-O 2.89Å; T732-R740 PolarHBondContact O-N 2.7Å; R740-P745 HydrophobicContact CG-CB 4.43Å
741	V	90.6	Very high	87.5	Confident	3 Å²	3	60 Å²	60	2%	0.018	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	108	175.9	-177	0	0	0	0	107.6	L729 M731 H743 L744 F746 M752 F756	L729-V741 HydrophobicContact CD1-CG1 3.79Å; L729-V741 HydrophobicContact CD2-CG1 3.42Å; L729-V741 VanDerWaalsContact CD2-CG1 3.42Å; L729-V741 HydrophobicContact CG-CG1 3.55Å; M731-V741 HydrophobicContact CB-CG2 3.73Å; V741-H743 PolarHBondContact O-N 2.87Å; V741-L744 PolarHBondContact N-O 3.21Å; V741-L744 WeakPolarHBondContact O-CB 3.44Å; V741-L744 PolarHBondContact O-N 3.12Å; V741-F746 HydrophobicContact CB-CE2 4.29Å; V741-F746 HydrophobicContact CG2-CD2 4.48Å; V741-F746 HydrophobicContact CG2-CE2 4.24Å; V741-M752 HydrophobicContact CG2-CG 3.71Å; V741-M752 HydrophobicContact CG2-SD 4.23Å; V741-F756 HydrophobicContact CG1-CE2 4.42Å; V741-F756 HydrophobicContact CG1-CZ 4.49Å
742	Q	86.2	Confident	87.5	Confident	108 Å²	108	59.9 Å²	59.9	51%	0.505	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.7	-112.1	-172	-56.7	173.8	1	0	0	111.5	L729	L729-Q742 HydrophobicContact CD1-CG 4.28Å
743	H	81.7	Confident	87.6	Confident	179 Å²	179	57 Å²	57	83%	0.829	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.2	-0.2	178.2	-59.3	-67.7	0	0	0	114	V741 P745	V741-H743 PolarHBondContact O-N 2.87Å; H743-P745 WeakPolarHBondContact O-CD 3.43Å
744	L	88.9	Confident	87.5	Confident	64 Å²	64	58.5 Å²	58.5	34%	0.335	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	112.4	-176.8	-60.9	175	0	0	0	110.5	V741 F746 F756 P762	V741-L744 PolarHBondContact N-O 3.21Å; V741-L744 WeakPolarHBondContact O-CB 3.44Å; V741-L744 PolarHBondContact O-N 3.12Å; L744-F746 HydrophobicContact CB-CE2 3.67Å; L744-F746 HydrophobicContact CB-CZ 3.88Å; L744-F746 HydrophobicContact CD1-CZ 4.34Å; L744-F756 HydrophobicContact CD1-CE1 4.2Å; L744-F756 HydrophobicContact CD1-CZ 4.07Å; L744-P762 HydrophobicContact CD1-CG 4.46Å
745	P	90.1	Very high	87.6	Confident	93 Å²	93	59.2 Å²	59.2	60%	0.604	31%	0.306	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.3	144.8	170.6	34.8	-32.7	0	0	0	111.2	R740 H743	R740-P745 HydrophobicContact CG-CB 4.43Å; H743-P745 WeakPolarHBondContact O-CD 3.43Å
746	F	90.8	Very high	88.2	Confident	16 Å²	16	54.3 Å²	54.3	7%	0.07	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	149.7	174.4	-57.3	-83.3	0	0	0	109	C739 V741 L744 S748 M752 H755 F756	C739-F746 HydrophobicContact CB-CB 4.29Å; C739-F746 PolarHBondContact N-O 3.4Å; C739-F746 PolarHBondContact O-N 3.18Å; V741-F746 HydrophobicContact CB-CE2 4.29Å; V741-F746 HydrophobicContact CG2-CD2 4.48Å; V741-F746 HydrophobicContact CG2-CE2 4.24Å; L744-F746 HydrophobicContact CB-CE2 3.67Å; L744-F746 HydrophobicContact CB-CZ 3.88Å; L744-F746 HydrophobicContact CD1-CZ 4.34Å; F746-S748 PolarHBondContact O-N 2.94Å; F746-M752 HydrophobicContact CB-CB 3.99Å; F746-M752 HydrophobicContact CD1-CB 4.09Å; F746-M752 HydrophobicContact CD2-CB 3.52Å; F746-M752 HydrophobicContact CD2-CG 3.56Å; F746-M752 HydrophobicContact CE1-CB 4.47Å; F746-M752 HydrophobicContact CE2-CB 3.95Å; F746-M752 HydrophobicContact CE2-CG 3.54Å; F746-M752 HydrophobicContact CG-CB 3.59Å; F746-M752 HydrophobicContact CG-CG 4.15Å; F746-M752 HydrophobicContact CZ-CB 4.4Å; F746-M752 HydrophobicContact CZ-CG 4.11Å; F746-H755 HydrophobicContact CD1-CB 4.42Å; F746-H755 HydrophobicContact CE1-CB 3.75Å; F746-H755 AromaticContact CE1-CD2 3.83Å; F746-H755 AromaticContact CE1-CG 3.57Å; F746-H755 AromaticContact CE1-ND1 3.93Å; F746-H755 HydrophobicContact CZ-CB 4.48Å; F746-F756 HydrophobicContact CE2-CE2 4.38Å; F746-F756 HydrophobicContact CE2-CZ 4.29Å; F746-F756 HydrophobicContact CZ-CE2 4.33Å; F746-F756 HydrophobicContact CZ-CZ 4.04Å
747	D	87.7	Confident	88.7	Confident	109 Å²	109	51.9 Å²	51.9	58%	0.583	26%	0.257	S	S	*	.	S	Bend	trans	-71.9	-23.7	-179.2	-59	-25.2	0	0	0	111.3	G737 E751	G737-D747 CarbonylContact C-O 3.56Å; D747-E751 WeakPolarHBondContact CB-OE2 3.33Å; D747-E751 PolarHBondContact N-OE2 2.79Å
748	S	87.6	Confident	88.9	Confident	20 Å²	20	56.1 Å²	56.1	14%	0.14	27%	0.268	C	S	.	.	S	Bend	trans	-153	161.9	173.9	68.8	0	0	0	0	113.4	G737 F746 V750 E751 M752	G737-S748 WeakPolarHBondContact O-CA 3.44Å; F746-S748 PolarHBondContact O-N 2.94Å; S748-V750 PolarHBondContact O-N 3.06Å; S748-E751 PolarHBondContact O-N 3.22Å; S748-E751 PolarHBondContact OG-N 3.42Å; S748-M752 PolarHBondContact O-N 2.71Å
749	I	91.1	Very high	89	Confident	4 Å²	4	57.6 Å²	57.6	2%	0.021	28%	0.275	C	S	.	.	H	α-helix	trans	-58.2	-33.9	171.9	-169.1	171.3	0	0	0	112.7	L391 L636 W641 V706 M731 L733 M752 L753	L391-I749 HydrophobicContact CD1-CG2 3.72Å; L636-I749 HydrophobicContact CD2-CG2 3.89Å; W641-I749 HydrophobicContact CH2-CD1 4.09Å; W641-I749 HydrophobicContact CH2-CG1 4.43Å; W641-I749 HydrophobicContact CH2-CG2 3.97Å; W641-I749 HydrophobicContact CZ3-CD1 3.97Å; V706-I749 HydrophobicContact CG1-CD1 3.88Å; V706-I749 HydrophobicContact CG2-CD1 4.33Å; M731-I749 HydrophobicContact SD-CD1 3.76Å; M731-I749 HydrophobicContact SD-CG1 4.05Å; L733-I749 HydrophobicContact CD1-CD1 4.23Å; L733-I749 HydrophobicContact CD2-CB 4.06Å; I749-M752 HydrophobicContact CG1-CE 3.68Å; I749-M752 WeakPolarHBondContact O-CB 3.32Å; I749-M752 PolarHBondContact O-N 3.01Å; I749-L753 WeakPolarHBondContact O-CG 3.33Å; I749-L753 PolarHBondContact O-N 3.22Å
750	V	89.6	Confident	88.8	Confident	1 Å²	1	60.3 Å²	60.3	1%	0.006	29%	0.293	C	S	.	.	H	α-helix	trans	-71	-38.1	-179.8	166.1	0	0	0	0	111.1	L391 Y639 W641 S748 L753 E754 V816 R817	L391-V750 HydrophobicContact CB-CG2 4.2Å; L391-V750 HydrophobicContact CD1-CB 4.39Å; L391-V750 HydrophobicContact CD1-CG2 3.34Å; L391-V750 HydrophobicContact CG-CG2 4.39Å; Y639-V750 HydrophobicContact CE1-CG2 4.47Å; W641-V750 HydrophobicContact CZ2-CG2 4.05Å; S748-V750 PolarHBondContact O-N 3.06Å; V750-L753 PolarHBondContact O-N 3.45Å; V750-E754 WeakPolarHBondContact O-CB 3.23Å; V750-E754 PolarHBondContact O-N 2.86Å; V750-V816 HydrophobicContact CG1-CG2 4.3Å; V750-R817 HydrophobicContact CG1-CG 3.73Å; V750-R817 VanDerWaalsContact CG1-CZ 3.43Å; V750-R817 VanDerWaalsContact CG1-NH1 3.27Å
751	E	87.8	Confident	88.6	Confident	76 Å²	76	53.2 Å²	53.2	36%	0.355	27%	0.267	S	S	.	.	H	α-helix	trans	-65.2	-42	173.7	-176	174.2	-143.6	0	0	111.5	D747 S748 L753 E754 H755	D747-E751 WeakPolarHBondContact CB-OE2 3.33Å; D747-E751 PolarHBondContact N-OE2 2.79Å; S748-E751 PolarHBondContact O-N 3.22Å; S748-E751 PolarHBondContact OG-N 3.42Å; E751-L753 PolarHBondContact O-N 3.27Å; E751-E754 PolarHBondContact O-N 2.81Å; E751-H755 VanDerWaalsContact O-CB 3.28Å; E751-H755 WeakPolarHBondContact O-CB 3.41Å; E751-H755 PolarHBondContact O-N 3.38Å
752	M	92.9	Very high	88	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-57.6	-46.9	172.3	178.1	-83.2	-63	0	0	112.2	L718 M731 V741 F746 S748 I749 E754 H755 F756	L718-M752 HydrophobicContact CD2-SD 4.28Å; M731-M752 HydrophobicContact CE-CE 3.94Å; M731-M752 HydrophobicContact SD-CE 3.62Å; V741-M752 HydrophobicContact CG2-CG 3.71Å; V741-M752 HydrophobicContact CG2-SD 4.23Å; F746-M752 HydrophobicContact CB-CB 3.99Å; F746-M752 HydrophobicContact CD1-CB 4.09Å; F746-M752 HydrophobicContact CD2-CB 3.52Å; F746-M752 HydrophobicContact CD2-CG 3.56Å; F746-M752 HydrophobicContact CE1-CB 4.47Å; F746-M752 HydrophobicContact CE2-CB 3.95Å; F746-M752 HydrophobicContact CE2-CG 3.54Å; F746-M752 HydrophobicContact CG-CB 3.59Å; F746-M752 HydrophobicContact CG-CG 4.15Å; F746-M752 HydrophobicContact CZ-CB 4.4Å; F746-M752 HydrophobicContact CZ-CG 4.11Å; S748-M752 PolarHBondContact O-N 2.71Å; I749-M752 HydrophobicContact CG1-CE 3.68Å; I749-M752 WeakPolarHBondContact O-CB 3.32Å; I749-M752 PolarHBondContact O-N 3.01Å; M752-E754 VanDerWaalsContact C-N 3.34Å; M752-E754 PolarHBondContact O-N 2.71Å; M752-H755 PolarHBondContact O-N 2.87Å; M752-F756 HydrophobicContact CG-CD2 3.94Å; M752-F756 HydrophobicContact CG-CE2 3.63Å; M752-F756 WeakPolarHBondContact O-CD2 3.21Å; M752-F756 PolarHBondContact O-N 3.16Å; M752-F756 HydrophobicContact SD-CD2 3.39Å; M752-F756 WeakPolarHBondContact SD-CD2 3.28Å; M752-F756 HydrophobicContact SD-CE2 3.49Å; M752-F756 WeakPolarHBondContact SD-CE2 3.33Å
753	L	93.1	Very high	87.4	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-63.9	-40.8	177.5	-72	176.4	0	0	0	111.6	W641 F704 V706 L718 I749 V750 E751 R757 L793 V816	W641-L753 HydrophobicContact CD2-CD1 3.98Å; W641-L753 HydrophobicContact CE3-CD1 4.11Å; W641-L753 HydrophobicContact CH2-CD1 4.12Å; W641-L753 HydrophobicContact CZ2-CD1 3.97Å; W641-L753 HydrophobicContact CZ3-CD1 4.18Å; F704-L753 HydrophobicContact CD2-CD2 4.05Å; F704-L753 HydrophobicContact CE2-CD1 4.12Å; F704-L753 HydrophobicContact CE2-CD2 3.6Å; F704-L753 HydrophobicContact CE2-CG 4.41Å; F704-L753 HydrophobicContact CZ-CD2 4.23Å; V706-L753 HydrophobicContact CG2-CD1 4.36Å; V706-L753 HydrophobicContact CG2-CD2 4.29Å; L718-L753 HydrophobicContact CD1-CD2 3.87Å; I749-L753 WeakPolarHBondContact O-CG 3.33Å; I749-L753 PolarHBondContact O-N 3.22Å; V750-L753 PolarHBondContact O-N 3.45Å; E751-L753 PolarHBondContact O-N 3.27Å; L753-R757 VanDerWaalsContact O-CG 3.28Å; L753-R757 WeakPolarHBondContact O-CG 3.35Å; L753-R757 PolarHBondContact O-N 2.79Å; L753-L793 HydrophobicContact CD2-CD1 3.84Å; L753-V816 HydrophobicContact CB-CG2 4.24Å
754	E	87.9	Confident	86.4	Confident	46 Å²	46	53.3 Å²	53.3	22%	0.215	28%	0.275	C	S	.	.	H	α-helix	trans	-64.9	-49.5	177.6	-162.6	59.9	-126.5	0	0	110.4	V750 E751 M752 F756 R757 Q758	V750-E754 WeakPolarHBondContact O-CB 3.23Å; V750-E754 PolarHBondContact O-N 2.86Å; E751-E754 PolarHBondContact O-N 2.81Å; M752-E754 VanDerWaalsContact C-N 3.34Å; M752-E754 PolarHBondContact O-N 2.71Å; E754-F756 VanDerWaalsContact C-N 3.3Å; E754-F756 PolarHBondContact O-N 2.89Å; E754-R757 WeakPolarHBondContact O-CA 3.49Å; E754-R757 VanDerWaalsContact O-CB 3.25Å; E754-R757 WeakPolarHBondContact O-CB 3.39Å; E754-R757 PolarHBondContact O-N 3.38Å; E754-R757 IonicContact OE1-NE 3.83Å; E754-Q758 VanDerWaalsContact C-OE1 3.26Å; E754-Q758 PolarHBondContact O-N 3.47Å; E754-Q758 PolarHBondContact O-NE2 3.37Å; E754-Q758 PolarHBondContact O-OE1 2.84Å; E754-Q758 PolarHBondContact OE1-NE2 3.37Å
755	H	88.2	Confident	84.6	Confident	52 Å²	52	54.9 Å²	54.9	24%	0.241	28%	0.281	C	S	.	.	H	α-helix	trans	-49.7	-50	175.4	-179.7	-79.8	0	0	0	111.5	F746 E751 M752 R757 Q758 E759	F746-H755 HydrophobicContact CD1-CB 4.42Å; F746-H755 HydrophobicContact CE1-CB 3.75Å; F746-H755 AromaticContact CE1-CD2 3.83Å; F746-H755 AromaticContact CE1-CG 3.57Å; F746-H755 AromaticContact CE1-ND1 3.93Å; F746-H755 HydrophobicContact CZ-CB 4.48Å; E751-H755 VanDerWaalsContact O-CB 3.28Å; E751-H755 WeakPolarHBondContact O-CB 3.41Å; E751-H755 PolarHBondContact O-N 3.38Å; M752-H755 PolarHBondContact O-N 2.87Å; H755-R757 PolarHBondContact O-N 3.49Å; H755-Q758 PolarHBondContact O-N 3.14Å; H755-Q758 VanDerWaalsContact O-N 3.09Å; H755-E759 IonicContact CE1-OE2 2.95Å; H755-E759 PolarHBondContact CE1-OE2 3.43Å; H755-E759 IonicContact NE2-OE1 2.78Å; H755-E759 IonicContact NE2-OE2 3.25Å; H755-E759 PolarHBondContact NE2-OE2 2.84Å; H755-E759 VanDerWaalsContact NE2-OE2 3.09Å; H755-E759 PolarHBondContact O-N 3.41Å
756	F	91.7	Very high	81.9	Confident	1 Å²	1	56.1 Å²	56.1	0%	0.004	29%	0.286	C	S	.	.	H	α-helix	trans	-73.3	-4.8	179.3	-66.2	-45.9	0	0	0	115.4	L718 L729 V741 L744 F746 M752 E754 E759 I761 T792 L793	L718-F756 HydrophobicContact CD2-CD2 4.5Å; L729-F756 HydrophobicContact CD2-CE2 4.37Å; V741-F756 HydrophobicContact CG1-CE2 4.42Å; V741-F756 HydrophobicContact CG1-CZ 4.49Å; L744-F756 HydrophobicContact CD1-CE1 4.2Å; L744-F756 HydrophobicContact CD1-CZ 4.07Å; F746-F756 HydrophobicContact CE2-CE2 4.38Å; F746-F756 HydrophobicContact CE2-CZ 4.29Å; F746-F756 HydrophobicContact CZ-CE2 4.33Å; F746-F756 HydrophobicContact CZ-CZ 4.04Å; M752-F756 HydrophobicContact CG-CD2 3.94Å; M752-F756 HydrophobicContact CG-CE2 3.63Å; M752-F756 WeakPolarHBondContact O-CD2 3.21Å; M752-F756 PolarHBondContact O-N 3.16Å; M752-F756 HydrophobicContact SD-CD2 3.39Å; M752-F756 WeakPolarHBondContact SD-CD2 3.28Å; M752-F756 HydrophobicContact SD-CE2 3.49Å; M752-F756 WeakPolarHBondContact SD-CE2 3.33Å; E754-F756 VanDerWaalsContact C-N 3.3Å; E754-F756 PolarHBondContact O-N 2.89Å; F756-E759 CarbonylContact C-O 3.48Å; F756-E759 VanDerWaalsContact CA-O 3.23Å; F756-E759 WeakPolarHBondContact CA-O 3.18Å; F756-I761 HydrophobicContact CB-CD1 4.4Å; F756-I761 HydrophobicContact CB-CG1 3.9Å; F756-I761 HydrophobicContact CD1-CB 4.35Å; F756-I761 HydrophobicContact CD1-CG1 3.64Å; F756-I761 HydrophobicContact CD2-CG1 4.19Å; F756-I761 HydrophobicContact CE1-CG1 4.19Å; F756-I761 HydrophobicContact CG-CD1 4.38Å; F756-I761 HydrophobicContact CG-CG1 3.66Å; F756-T792 CarbonylContact O-C 3.44Å; F756-T792 WeakPolarHBondContact O-CA 3.16Å; F756-T792 WeakPolarHBondContact O-CB 3.5Å; F756-L793 HydrophobicContact CB-CD1 3.85Å; F756-L793 HydrophobicContact CB-CG 3.93Å; F756-L793 PolarHBondContact O-N 3.38Å
757	R	89.4	Confident	79.3	Confident	52 Å²	52	64.7 Å²	64.7	20%	0.196	32%	0.324	C	S	.	.	H	α-helix	trans	-80.9	-32.6	166.6	-66	169.3	65.8	72.6	-2.4	111.7	L753 E754 H755 T792 L793 S794	L753-R757 VanDerWaalsContact O-CG 3.28Å; L753-R757 WeakPolarHBondContact O-CG 3.35Å; L753-R757 PolarHBondContact O-N 2.79Å; E754-R757 WeakPolarHBondContact O-CA 3.49Å; E754-R757 VanDerWaalsContact O-CB 3.25Å; E754-R757 WeakPolarHBondContact O-CB 3.39Å; E754-R757 PolarHBondContact O-N 3.38Å; E754-R757 IonicContact OE1-NE 3.83Å; H755-R757 PolarHBondContact O-N 3.49Å; R757-T792 WeakPolarHBondContact O-CB 3.49Å; R757-L793 HydrophobicContact CG-CB 3.77Å; R757-L793 WeakPolarHBondContact CG-O 3.33Å; R757-S794 PolarHBondContact NH1-O 3.44Å
758	Q	85.2	Confident	76.7	Confident	120 Å²	120	66 Å²	66	56%	0.561	33%	0.33	S	S	*	.	H	α-helix	trans	-89.5	-44.5	176.5	-67.8	87.5	54.3	0	0	112.2	E754 H755	E754-Q758 VanDerWaalsContact C-OE1 3.26Å; E754-Q758 PolarHBondContact O-N 3.47Å; E754-Q758 PolarHBondContact O-NE2 3.37Å; E754-Q758 PolarHBondContact O-OE1 2.84Å; E754-Q758 PolarHBondContact OE1-NE2 3.37Å; H755-Q758 PolarHBondContact O-N 3.14Å; H755-Q758 VanDerWaalsContact O-N 3.09Å
759	E	86.6	Confident	74	Confident	107 Å²	107	70.7 Å²	70.7	50%	0.5	36%	0.362	S	S	.	.	S	Bend	trans	-106	137.8	-176	-63.2	-166.7	-173.3	0	0	111.1	H755 F756	H755-E759 IonicContact CE1-OE2 2.95Å; H755-E759 PolarHBondContact CE1-OE2 3.43Å; H755-E759 IonicContact NE2-OE1 2.78Å; H755-E759 IonicContact NE2-OE2 3.25Å; H755-E759 PolarHBondContact NE2-OE2 2.84Å; H755-E759 VanDerWaalsContact NE2-OE2 3.09Å; H755-E759 PolarHBondContact O-N 3.41Å; F756-E759 CarbonylContact C-O 3.48Å; F756-E759 VanDerWaalsContact CA-O 3.23Å; F756-E759 WeakPolarHBondContact CA-O 3.18Å
760	P	86.8	Confident	71.1	Confident	57 Å²	57	75.7 Å²	75.7	37%	0.37	40%	0.398	S	S	.	.			trans	-71.3	144.9	-179.1	30.4	-35	0	0	0	111.7	P762 P790 T792	P760-P762 VanDerWaalsContact O-CD 3.3Å; P760-P762 WeakPolarHBondContact O-CD 3.47Å; P760-P790 HydrophobicContact CB-CB 3.32Å; P760-P790 HydrophobicContact CG-CB 3.65Å; P760-P790 HydrophobicContact CG-CG 4.49Å; P760-T792 HydrophobicContact CB-CG2 4.29Å
761	I	86.1	Confident	68.6	Low	9 Å²	9	84.1 Å²	84.1	5%	0.046	44%	0.439	C	S	.	.			trans	-66	124.2	177.8	-58.5	171.9	0	0	0	108.5	L718 F720 L729 F756 L763 I791 L793	L718-I761 HydrophobicContact CD2-CD1 4.3Å; F720-I761 HydrophobicContact CD1-CD1 4.08Å; F720-I761 HydrophobicContact CD2-CD1 4.18Å; F720-I761 HydrophobicContact CE1-CD1 3.83Å; F720-I761 HydrophobicContact CE2-CD1 3.92Å; F720-I761 HydrophobicContact CG-CD1 4.25Å; F720-I761 HydrophobicContact CZ-CD1 3.75Å; F720-I761 HydrophobicContact CZ-CG2 4.45Å; L729-I761 HydrophobicContact CD2-CG2 3.83Å; F756-I761 HydrophobicContact CB-CD1 4.4Å; F756-I761 HydrophobicContact CB-CG1 3.9Å; F756-I761 HydrophobicContact CD1-CB 4.35Å; F756-I761 HydrophobicContact CD1-CG1 3.64Å; F756-I761 HydrophobicContact CD2-CG1 4.19Å; F756-I761 HydrophobicContact CE1-CG1 4.19Å; F756-I761 HydrophobicContact CG-CD1 4.38Å; F756-I761 HydrophobicContact CG-CG1 3.66Å; I761-L763 HydrophobicContact CB-CG 4.37Å; I761-L763 HydrophobicContact CG2-CD2 3.79Å; I761-L763 HydrophobicContact CG2-CG 4.08Å; I761-L763 WeakPolarHBondContact O-CG 3.42Å; I761-L763 PolarHBondContact O-N 2.82Å; I761-L763 VanDerWaalsContact O-N 3.07Å; I761-I791 PolarHBondContact N-O 3.25Å; I761-L793 HydrophobicContact CD1-CD2 4.01Å; I761-L793 HydrophobicContact CD1-CG 4.43Å
762	P	77.6	Confident	66.1	Low	73 Å²	73	86.8 Å²	86.8	47%	0.474	46%	0.461	S	S	.	.			trans	-65.7	109.2	173	-18.6	31.6	0	0	0	109.2	L744 P760	L744-P762 HydrophobicContact CD1-CG 4.46Å; P760-P762 VanDerWaalsContact O-CD 3.3Å; P760-P762 WeakPolarHBondContact O-CD 3.47Å
763	L	74.5	Confident	63.6	Low	51 Å²	51	94.5 Å²	94.5	27%	0.267	50%	0.502	S	S	.	.			trans	-110.4	109.8	-179.8	-63.3	165.1	0	0	0	108.1	F720 K727 I761 Q765	F720-L763 HydrophobicContact CE2-CD1 4.08Å; F720-L763 HydrophobicContact CZ-CD1 4Å; F720-L763 HydrophobicContact CZ-CD2 3.83Å; K727-L763 HydrophobicContact CD-CD1 3.71Å; K727-L763 HydrophobicContact CD-CD2 4.11Å; K727-L763 HydrophobicContact CD-CG 4.46Å; I761-L763 HydrophobicContact CB-CG 4.37Å; I761-L763 HydrophobicContact CG2-CD2 3.79Å; I761-L763 HydrophobicContact CG2-CG 4.08Å; I761-L763 WeakPolarHBondContact O-CG 3.42Å; I761-L763 PolarHBondContact O-N 2.82Å; I761-L763 VanDerWaalsContact O-N 3.07Å; L763-Q765 VanDerWaalsContact C-N 3.32Å; L763-Q765 PolarHBondContact O-N 2.99Å
764	E	60.6	Low	60.9	Low	169 Å²	169	97.9 Å²	97.9	79%	0.79	54%	0.537	S	S	*	.			trans	-62.5	95.2	169.4	-65.7	-176.9	171.4	0	0	108.6	T766	E764-T766 PolarHBondContact O-N 3.45Å
765	Q	51.6	Low	58.6	Low	97 Å²	97	103.7 Å²	103.7	45%	0.453	57%	0.568	S	S	.	*			trans	-78.5	111.8	168	-85.8	163.8	-47.2	0	0	108.1	L763 F767	L763-Q765 VanDerWaalsContact C-N 3.32Å; L763-Q765 PolarHBondContact O-N 2.99Å; Q765-F767 VanDerWaalsContact C-N 3.31Å; Q765-F767 PolarHBondContact O-N 2.9Å
766	T	33.8	Very low	56.1	Low	118 Å²	118	106.4 Å²	106.4	72%	0.724	59%	0.594	S	S	*	*			trans	-58.4	89.4	175.4	-23.7	0	0	0	0	108.9	E764 I768	E764-T766 PolarHBondContact O-N 3.45Å; T766-I768 HydrophobicContact CG2-CD1 3.71Å; T766-I768 HydrophobicContact CG2-CG1 3.77Å; T766-I768 PolarHBondContact O-N 3.36Å
767	F	35.3	Very low	53.6	Low	196 Å²	196	111.4 Å²	111.4	86%	0.86	63%	0.629	S	S	*	*			trans	-72.8	67.8	164.2	-91.8	-88.8	0	0	0	108.6	Q765	Q765-F767 VanDerWaalsContact C-N 3.31Å; Q765-F767 PolarHBondContact O-N 2.9Å
768	I	33.3	Very low	51.1	Low	137 Å²	137	116.7 Å²	116.7	70%	0.703	66%	0.661	S	S	*	*			trans	-151.8	86.2	173.2	-6.1	161.7	0	0	0	109.2	T766	T766-I768 HydrophobicContact CG2-CD1 3.71Å; T766-I768 HydrophobicContact CG2-CG1 3.77Å; T766-I768 PolarHBondContact O-N 3.36Å
769	S	30.2	Very low	49.1	Very low	118 Å²	118	117.3 Å²	117.3	83%	0.825	67%	0.672	S	S	*	*			trans	-163.8	121.5	156.3	-74.5	0	0	0	0	108.6
770	S	30.1	Very low	46.9	Very low	109 Å²	109	119.4 Å²	119.4	76%	0.762	69%	0.686	S	S	*	*	S	Bend	trans	96.3	110.6	169.3	89.9	0	0	0	0	118.5
771	M	37	Very low	44.7	Very low	178 Å²	178	121.7 Å²	121.7	88%	0.877	70%	0.701	S	S	*	*			trans	95.5	63.2	152.2	-49.1	-164.8	-166.3	0	0	118.4
772	T	35.9	Very low	42	Very low	133 Å²	133	128.8 Å²	128.8	82%	0.816	74%	0.739	S	S	*	*			trans	-75.5	108	132.6	44.4	0	0	0	0	107.7
773	D	40.2	Very low	40	Very low	162 Å²	162	129.8 Å²	129.8	87%	0.866	75%	0.748	S	S	*	*			trans	170.8	122.7	143.1	-87.2	-21.8	0	0	0	111
774	G	36	Very low	38.1	Very low	70 Å²	70	134.3 Å²	134.3	72%	0.722	78%	0.778	S	S	*	*			trans	85.5	95.3	142.5	0	0	0	0	0	120.1
775	L	41.4	Very low	37	Very low	168 Å²	168	132.7 Å²	132.7	88%	0.88	78%	0.779	S	S	*	*				51.7	113.2	125.6	-65.2	160.6	0	0	0	120.8
776	S	35.4	Very low	36.5	Very low	110 Å²	110	133.3 Å²	133.3	77%	0.769	79%	0.794	S	S	*	*			trans	72.7	138.3	138.2	-61.1	0	0	0	0	121.8
777	S	38.2	Very low	37	Very low	106 Å²	106	133.5 Å²	133.5	74%	0.741	80%	0.796	S	S	*	*			trans	88.6	92.8	162.4	-63.7	0	0	0	0	119	V779	S777-V779 PolarHBondContact O-N 3.07Å
778	D	36.9	Very low	38	Very low	163 Å²	163	127 Å²	127	87%	0.872	77%	0.773	S	S	*	*				35.5	79.8	124.2	-64.3	-29.8	0	0	0	118.3
779	V	44.3	Very low	39.4	Very low	132 Å²	132	124.8 Å²	124.8	80%	0.8	77%	0.766	S	S	*	*			trans	-150.9	123.4	150	-175.1	0	0	0	0	109.3	S777 P781	S777-V779 PolarHBondContact O-N 3.07Å; V779-P781 WeakPolarHBondContact O-CD 3.43Å
780	L	39	Very low	41.6	Very low	152 Å²	152	124 Å²	124	80%	0.796	76%	0.758	S	S	*	*			trans	-64.1	137.9	170.3	-178.1	75.7	0	0	0	111.1
781	P	40.6	Very low	44	Very low	105 Å²	105	119.5 Å²	119.5	68%	0.682	73%	0.726	S	S	*	*			trans	-130.2	119.8	148.8	31.7	-15.2	0	0	0	112.1	V779 S783	V779-P781 WeakPolarHBondContact O-CD 3.43Å; P781-S783 PolarHBondContact O-N 3.35Å; P781-S783 VanDerWaalsContact O-N 3.1Å
782	N	29.3	Very low	46.6	Very low	158 Å²	158	113.6 Å²	113.6	85%	0.845	70%	0.699	S	S	*	*			trans	-49.2	111.2	158.7	-91.6	-9.5	0	0	0	110
783	S	35.9	Very low	49.3	Very low	94 Å²	94	107.4 Å²	107.4	66%	0.657	66%	0.661	S	S	*	*			trans	-146.4	114.6	159.5	55.3	0	0	0	0	109.5	P781 T785	P781-S783 PolarHBondContact O-N 3.35Å; P781-S783 VanDerWaalsContact O-N 3.1Å; S783-T785 PolarHBondContact O-N 2.88Å; S783-T785 VanDerWaalsContact O-N 3.07Å
784	T	34.4	Very low	51.6	Low	146 Å²	146	101.3 Å²	101.3	90%	0.896	63%	0.632	S	S	*	*			trans	-67.7	97.5	174.6	43.3	0	0	0	0	109.8	S786	T784-S786 PolarHBondContact O-N 2.64Å; T784-S786 VanDerWaalsContact O-N 3.17Å
785	T	37	Very low	54.3	Low	134 Å²	134	98 Å²	98	82%	0.822	60%	0.597	S	S	*	*			trans	-74.9	93.7	167.8	13	0	0	0	0	109.2	S783 T787	S783-T785 PolarHBondContact O-N 2.88Å; S783-T785 VanDerWaalsContact O-N 3.07Å; T785-T787 PolarHBondContact O-N 3.29Å
786	S	42.1	Very low	56.7	Low	110 Å²	110	90.1 Å²	90.1	77%	0.769	56%	0.556	S	S	*	*			trans	-70.7	111.5	171.3	58.4	0	0	0	0	109.8	T784	T784-S786 PolarHBondContact O-N 2.64Å; T784-S786 VanDerWaalsContact O-N 3.17Å
787	T	43.9	Very low	59.4	Low	123 Å²	123	84.9 Å²	84.9	76%	0.755	52%	0.519	S	S	*	.	P	Polyproline II helix	trans	-56.9	126.2	167.3	49.6	0	0	0	0	109.3	T785 T789	T785-T787 PolarHBondContact O-N 3.29Å; T787-T789 PolarHBondContact O-N 3.01Å
788	P	57.1	Low	61.9	Low	59 Å²	59	79.9 Å²	79.9	38%	0.383	48%	0.484	S	S	.	.	P	Polyproline II helix	trans	-64.2	131.6	-177.5	24.1	-31.3	0	0	0	110.1
789	T	62.5	Low	64.3	Low	91 Å²	91	73.1 Å²	73.1	56%	0.558	45%	0.448	S	S	*	.	P	Polyproline II helix	trans	-63.8	140.1	-174.3	55.4	0	0	0	0	111.1	H723 T787	H723-T789 PolarHBondContact CE1-O 2.98Å; H723-T789 PolarHBondContact CE1-OG1 2.82Å; H723-T789 PolarHBondContact NE2-O 3.39Å; T787-T789 PolarHBondContact O-N 3.01Å
790	P	75.7	Confident	66.1	Low	100 Å²	100	67.7 Å²	67.7	65%	0.649	42%	0.415	S	S	*	.	P	Polyproline II helix	trans	-57.6	143.8	171.8	19.8	-28.5	0	0	0	110.9	P760	P760-P790 HydrophobicContact CB-CB 3.32Å; P760-P790 HydrophobicContact CG-CB 3.65Å; P760-P790 HydrophobicContact CG-CG 4.49Å
791	I	82.1	Confident	68.1	Low	16 Å²	16	67.7 Å²	67.7	8%	0.082	41%	0.411	C	S	.	.			trans	-120.2	130.3	-179.9	-64.6	-173	0	0	0	109.9	D701 C722 I761	D701-I791 HydrophobicContact CB-CD1 4.27Å; C722-I791 VanDerWaalsContact CA-CD1 3.48Å; C722-I791 HydrophobicContact CB-CD1 3.76Å; C722-I791 VanDerWaalsContact SG-CD1 3.55Å; I761-I791 PolarHBondContact N-O 3.25Å
792	T	90.5	Very high	69.9	Low	53 Å²	53	65.2 Å²	65.2	33%	0.325	39%	0.391	S	S	.	.			trans	-101	157.5	170.2	60.5	0	0	0	0	110.7	G702 F756 R757 P760 S794	G702-T792 VanDerWaalsContact CA-O 3.31Å; G702-T792 WeakPolarHBondContact CA-O 3.45Å; F756-T792 CarbonylContact O-C 3.44Å; F756-T792 WeakPolarHBondContact O-CA 3.16Å; F756-T792 WeakPolarHBondContact O-CB 3.5Å; R757-T792 WeakPolarHBondContact O-CB 3.49Å; P760-T792 HydrophobicContact CB-CG2 4.29Å; T792-S794 PolarHBondContact O-N 2.92Å
793	L	93.1	Very high	72	Confident	3 Å²	3	58.1 Å²	58.1	2%	0.016	35%	0.354	C	S	.	.			trans	-67.9	125.3	173.6	-61.8	-173.9	0	0	0	109.9	F704 L718 F720 L753 F756 R757 I761	F704-L793 HydrophobicContact CB-CD2 3.83Å; F704-L793 HydrophobicContact CD1-CB 3.76Å; F704-L793 HydrophobicContact CD1-CD1 3.94Å; F704-L793 HydrophobicContact CD1-CD2 3.79Å; F704-L793 HydrophobicContact CD1-CG 4.04Å; F704-L793 HydrophobicContact CD2-CD1 4.33Å; F704-L793 HydrophobicContact CE1-CB 3.85Å; F704-L793 HydrophobicContact CE1-CD1 4.05Å; F704-L793 HydrophobicContact CE1-CG 4.4Å; F704-L793 HydrophobicContact CE2-CD1 4.43Å; F704-L793 HydrophobicContact CG-CD1 4.09Å; F704-L793 HydrophobicContact CG-CD2 3.91Å; F704-L793 HydrophobicContact CG-CG 4.43Å; F704-L793 HydrophobicContact CZ-CD1 4.28Å; L718-L793 HydrophobicContact CD2-CD1 4.28Å; F720-L793 HydrophobicContact CB-CD2 4.01Å; F720-L793 HydrophobicContact CG-CD2 4.37Å; L753-L793 HydrophobicContact CD2-CD1 3.84Å; F756-L793 HydrophobicContact CB-CD1 3.85Å; F756-L793 HydrophobicContact CB-CG 3.93Å; F756-L793 PolarHBondContact O-N 3.38Å; R757-L793 HydrophobicContact CG-CB 3.77Å; R757-L793 WeakPolarHBondContact CG-O 3.33Å; I761-L793 HydrophobicContact CD1-CD2 4.01Å; I761-L793 HydrophobicContact CD1-CG 4.43Å
794	S	89	Confident	73.5	Confident	35 Å²	35	57.3 Å²	57.3	25%	0.245	36%	0.361	C	S	.	.			trans	-110.3	-37.9	-174.8	73.8	0	0	0	0	112.3	D701 G702 R757 T792	D701-S794 PolarHBondContact O-OG 2.87Å; G702-S794 PolarHBondContact O-N 3.47Å; R757-S794 PolarHBondContact NH1-O 3.44Å; T792-S794 PolarHBondContact O-N 2.92Å
795	A	91.1	Very high	75.1	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	157.6	-174.6	0	0	0	0	0	111.3	G702 V703 F704 I811 C812 R813	G702-A795 PolarHBondContact O-N 2.73Å; V703-A795 CarbonylContact C-O 3.43Å; V703-A795 VanDerWaalsContact CA-O 3.24Å; V703-A795 WeakPolarHBondContact CA-O 3.32Å; V703-A795 HydrophobicContact CG2-CB 4.35Å; F704-A795 WeakPolarHBondContact CD1-O 3.13Å; F704-A795 WeakPolarHBondContact CE1-O 3.23Å; F704-A795 PolarHBondContact N-O 3.25Å; A795-I811 HydrophobicContact CB-CG2 3.28Å; A795-C812 CarbonylContact C-O 3.47Å; A795-C812 VanDerWaalsContact CA-O 3.27Å; A795-C812 WeakPolarHBondContact CA-O 3.49Å; A795-C812 WeakPolarHBondContact CB-O 3.42Å; A795-R813 HydrophobicContact CB-CG 3.53Å
796	Y	92.9	Very high	76.5	Confident	3 Å²	3	55.5 Å²	55.5	1%	0.012	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	147.8	175	61.2	-93.2	0	0	0	112.9	P640 W641 F704 V798 I811 C812 V816 V823	P640-Y796 HydrophobicContact CB-CE2 3.96Å; P640-Y796 HydrophobicContact CG-CE2 3.6Å; W641-Y796 HydrophobicContact CB-CD2 3.66Å; W641-Y796 HydrophobicContact CB-CE2 4.42Å; W641-Y796 HydrophobicContact CB-CG 3.73Å; F704-Y796 HydrophobicContact CZ-CD1 4.36Å; F704-Y796 HydrophobicContact CZ-CG 4.46Å; F704-Y796 CarbonylContact O-C 3.54Å; F704-Y796 WeakPolarHBondContact O-CA 3.42Å; Y796-V798 HydrophobicContact CD2-CG2 4.47Å; Y796-V798 HydrophobicContact CE2-CG2 4.11Å; Y796-I811 CarbonylContact O-C 3.59Å; Y796-I811 VanDerWaalsContact O-CA 3.3Å; Y796-I811 WeakPolarHBondContact O-CA 3.44Å; Y796-C812 HydrophobicContact CD1-CB 4.2Å; Y796-C812 HydrophobicContact CD2-CB 4.09Å; Y796-C812 HydrophobicContact CE1-CB 3.63Å; Y796-C812 HydrophobicContact CE2-CB 3.5Å; Y796-C812 VanDerWaalsContact CE2-CB 3.5Å; Y796-C812 HydrophobicContact CG-CB 4.41Å; Y796-C812 PolarHBondContact N-O 3.29Å; Y796-C812 PolarHBondContact O-N 3.38Å; Y796-C812 WeakPolarHBondContact OH-CB 3.2Å; Y796-V816 HydrophobicContact CD1-CG1 4.3Å; Y796-V823 HydrophobicContact CE2-CG1 4.32Å
797	V	91.9	Very high	77.7	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	120.6	171.1	-174	0	0	0	0	108.6	H643 V655 V703 F704 L705 L809	H643-V797 PolarHBondContact NE2-O 2.78Å; V655-V797 HydrophobicContact CG1-CG2 4.46Å; V703-V797 HydrophobicContact CG1-CG2 3.59Å; F704-V797 PolarHBondContact O-N 2.76Å; L705-V797 HydrophobicContact CB-CB 4.46Å; L705-V797 HydrophobicContact CD2-CB 4.4Å; V797-L809 HydrophobicContact CG1-CD2 4.01Å
798	V	90	Very high	79.1	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-68.9	132	173.6	-176.3	0	0	0	0	108.8	P640 Y796 T800 L802 T803 V810 C812 V823 A827	P640-V798 HydrophobicContact CB-CG1 4.17Å; P640-V798 CarbonylContact O-C 3.59Å; P640-V798 WeakPolarHBondContact O-CA 3.5Å; Y796-V798 HydrophobicContact CD2-CG2 4.47Å; Y796-V798 HydrophobicContact CE2-CG2 4.11Å; V798-T800 PolarHBondContact O-N 3.25Å; V798-L802 HydrophobicContact CG1-CB 4.39Å; V798-L802 HydrophobicContact CG1-CD1 4.42Å; V798-T803 HydrophobicContact CB-CG2 4.27Å; V798-T803 HydrophobicContact CG1-CG2 3.75Å; V798-V810 HydrophobicContact CB-CB 4.04Å; V798-V810 HydrophobicContact CB-CG1 4.47Å; V798-V810 WeakPolarHBondContact CB-O 3.38Å; V798-V810 HydrophobicContact CG2-CB 4.01Å; V798-V810 HydrophobicContact CG2-CG1 3.92Å; V798-V810 WeakPolarHBondContact CG2-O 3.43Å; V798-V810 PolarHBondContact N-O 2.85Å; V798-C812 HydrophobicContact CG2-CB 4.31Å; V798-C812 WeakPolarHBondContact CG2-SG 3.47Å; V798-V823 HydrophobicContact CG1-CG1 4.39Å; V798-V823 HydrophobicContact CG2-CG1 3.9Å; V798-A827 HydrophobicContact CG1-CB 4.2Å
799	N	88.7	Confident	80.4	Confident	22 Å²	22	50.5 Å²	50.5	12%	0.118	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-53.7	122	174.4	-173.8	-22.7	0	0	0	110.3	P640 Y642 H801 L802	P640-N799 PolarHBondContact O-N 2.92Å; Y642-N799 PolarHBondContact O-ND2 2.84Å; N799-H801 PolarHBondContact O-N 2.9Å; N799-H801 VanDerWaalsContact O-N 3.17Å; N799-H801 WeakPolarHBondContact OD1-CB 3.45Å; N799-H801 PolarHBondContact OD1-CD2 2.78Å; N799-H801 PolarHBondContact OD1-N 3.06Å; N799-H801 VanDerWaalsContact OD1-N 3.11Å; N799-L802 HydrophobicContact CB-CD1 4.15Å; N799-L802 HydrophobicContact CB-CG 4.22Å; N799-L802 WeakPolarHBondContact O-CB 3.12Å; N799-L802 PolarHBondContact O-N 3.42Å
800	T	81.3	Confident	81.4	Confident	18 Å²	18	46.2 Å²	46.2	11%	0.11	25%	0.249	C	C	.	.	H	α-helix	trans	-60	-29.6	-174.1	52.7	0	0	0	0	112.1	Y654 V798 L802 T803 G804 L809	Y654-T800 HydrophobicContact CE2-CG2 4.43Å; V798-T800 PolarHBondContact O-N 3.25Å; T800-L802 PolarHBondContact O-N 2.78Å; T800-T803 PolarHBondContact O-N 3.36Å; T800-T803 PolarHBondContact O-OG1 2.88Å; T800-G804 PolarHBondContact O-N 2.96Å; T800-L809 HydrophobicContact CG2-CD2 3.95Å
801	H	80.8	Confident	82	Confident	151 Å²	151	41.8 Å²	41.8	70%	0.699	22%	0.22	S	C	*	.	H	α-helix	trans	-57.6	-28.4	173.6	-67.4	-72	0	0	0	113.2	N799	N799-H801 PolarHBondContact O-N 2.9Å; N799-H801 VanDerWaalsContact O-N 3.17Å; N799-H801 WeakPolarHBondContact OD1-CB 3.45Å; N799-H801 PolarHBondContact OD1-CD2 2.78Å; N799-H801 PolarHBondContact OD1-N 3.06Å; N799-H801 VanDerWaalsContact OD1-N 3.11Å
802	L	78.3	Confident	82.1	Confident	53 Å²	53	41.2 Å²	41.2	28%	0.277	22%	0.217	S	C	.	.	H	α-helix	trans	-83.3	-22.1	178.7	-58.1	177.4	0	0	0	113.3	P640 V798 N799 T800	P640-L802 HydrophobicContact CB-CD1 3.85Å; V798-L802 HydrophobicContact CG1-CB 4.39Å; V798-L802 HydrophobicContact CG1-CD1 4.42Å; N799-L802 HydrophobicContact CB-CD1 4.15Å; N799-L802 HydrophobicContact CB-CG 4.22Å; N799-L802 WeakPolarHBondContact O-CB 3.12Å; N799-L802 PolarHBondContact O-N 3.42Å; T800-L802 PolarHBondContact O-N 2.78Å
803	T	73.8	Confident	81.6	Confident	10 Å²	10	43.9 Å²	43.9	6%	0.061	22%	0.222	C	C	.	.	H	α-helix	trans	-94.4	-17.9	-174.2	71.5	0	0	0	0	112.8	V798 T800 S805 V810 A827	V798-T803 HydrophobicContact CB-CG2 4.27Å; V798-T803 HydrophobicContact CG1-CG2 3.75Å; T800-T803 PolarHBondContact O-N 3.36Å; T800-T803 PolarHBondContact O-OG1 2.88Å; T803-S805 PolarHBondContact O-N 2.89Å; T803-S805 PolarHBondContact OG1-N 2.9Å; T803-S805 PolarHBondContact OG1-O 3.47Å; T803-V810 HydrophobicContact CG2-CB 4.19Å; T803-V810 HydrophobicContact CG2-CG2 3.79Å; T803-A827 HydrophobicContact CG2-CB 3.78Å
804	G	67.7	Low	80.7	Confident	77 Å²	77	45.5 Å²	45.5	79%	0.794	24%	0.239	S	C	*	.	S	Bend	trans	66.8	-4.1	-170.7	0	0	0	0	0	114.3	T800	T800-G804 PolarHBondContact O-N 2.96Å
805	S	68	Low	80.1	Confident	26 Å²	26	45.6 Å²	45.6	18%	0.182	24%	0.239	C	C	.	.			trans	-103.1	116.2	-179.1	-167	0	0	0	0	110.1	T803	T803-S805 PolarHBondContact O-N 2.89Å; T803-S805 PolarHBondContact OG1-N 2.9Å; T803-S805 PolarHBondContact OG1-O 3.47Å
806	R	66.1	Low	79.8	Confident	216 Å²	216	45.6 Å²	45.6	82%	0.815	24%	0.239	S	C	*	.	S	Bend	trans	-85.5	-19.8	173.5	-73.5	-176.3	166.3	176.6	-4	113.2
807	E	67	Low	79.1	Confident	148 Å²	148	47 Å²	47	69%	0.692	25%	0.245	S	C	*	.	S	Bend	trans	-95.5	-4	-173.8	-62.5	175.6	-175.8	0	0	113.1	L659	L659-E807 WeakPolarHBondContact CD1-O 3.11Å
808	R	74	Confident	78.2	Confident	35 Å²	35	48.1 Å²	48.1	13%	0.132	25%	0.254	C	S	.	.			trans	-139.7	131.3	-176.9	-61.7	-177.3	-178.4	-176.1	-5.6	110.9	A834	R808-A834 VanDerWaalsContact NH1-CB 3.31Å; R808-A834 PolarHBondContact NH1-O 2.55Å
809	L	83.4	Confident	77.5	Confident	3 Å²	3	50 Å²	50	2%	0.016	26%	0.264	C	S	.	.			trans	-88.2	131.3	172.3	-64.7	172.3	0	0	0	109.1	Y654 L659 V797 T800 Y844 I845	Y654-L809 HydrophobicContact CD1-CD1 4.19Å; Y654-L809 HydrophobicContact CD1-CD2 3.82Å; Y654-L809 HydrophobicContact CD2-CD2 4.36Å; Y654-L809 HydrophobicContact CE1-CD2 4.07Å; Y654-L809 HydrophobicContact CG-CD1 4.48Å; Y654-L809 HydrophobicContact CG-CD2 3.98Å; Y654-L809 WeakPolarHBondContact O-CD1 3.41Å; L659-L809 HydrophobicContact CD1-CG 4.37Å; L659-L809 HydrophobicContact CD2-CD1 4.01Å; L659-L809 HydrophobicContact CD2-CD2 3.91Å; L659-L809 HydrophobicContact CD2-CG 3.77Å; L659-L809 HydrophobicContact CG-CD1 4.22Å; L659-L809 HydrophobicContact CG-CG 4.14Å; V797-L809 HydrophobicContact CG1-CD2 4.01Å; T800-L809 HydrophobicContact CG2-CD2 3.95Å; L809-Y844 HydrophobicContact CB-CD1 4.14Å; L809-Y844 HydrophobicContact CD1-CE1 4.39Å; L809-Y844 CarbonylContact O-C 3.56Å; L809-Y844 WeakPolarHBondContact O-CA 3.23Å; L809-I845 PolarHBondContact O-N 2.68Å
810	V	84.1	Confident	77	Confident	1 Å²	1	49.7 Å²	49.7	1%	0.006	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	128.3	170.7	-174.5	0	0	0	0	107.6	V798 T803 A827 I845 M847	V798-V810 HydrophobicContact CB-CB 4.04Å; V798-V810 HydrophobicContact CB-CG1 4.47Å; V798-V810 WeakPolarHBondContact CB-O 3.38Å; V798-V810 HydrophobicContact CG2-CB 4.01Å; V798-V810 HydrophobicContact CG2-CG1 3.92Å; V798-V810 WeakPolarHBondContact CG2-O 3.43Å; V798-V810 PolarHBondContact N-O 2.85Å; T803-V810 HydrophobicContact CG2-CB 4.19Å; T803-V810 HydrophobicContact CG2-CG2 3.79Å; V810-A827 HydrophobicContact CB-CB 4.13Å; V810-A827 HydrophobicContact CG1-CB 3.72Å; V810-A827 HydrophobicContact CG2-CB 4.14Å; V810-I845 CarbonylContact C-O 3.57Å; V810-I845 WeakPolarHBondContact CA-O 3.23Å; V810-I845 HydrophobicContact CB-CB 4.49Å; V810-I845 HydrophobicContact CG1-CB 4.24Å; V810-I845 HydrophobicContact CG1-CG2 4.34Å; V810-I845 WeakPolarHBondContact CG1-O 3.43Å; V810-I845 HydrophobicContact CG2-CB 4.15Å; V810-I845 HydrophobicContact CG2-CD1 4.36Å; V810-M847 HydrophobicContact CG1-CE 4.03Å; V810-M847 HydrophobicContact CG1-CG 4.02Å; V810-M847 HydrophobicContact CG1-SD 4.42Å
811	I	87.6	Confident	76.7	Confident	7 Å²	7	54 Å²	54	4%	0.036	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	132.9	175.8	-66.6	177.5	0	0	0	107.7	V703 A795 Y796 Y844 I845 V846 M847	V703-I811 HydrophobicContact CG1-CD1 4.13Å; V703-I811 HydrophobicContact CG1-CG1 4.49Å; V703-I811 HydrophobicContact CG2-CD1 4.07Å; A795-I811 HydrophobicContact CB-CG2 3.28Å; Y796-I811 CarbonylContact O-C 3.59Å; Y796-I811 VanDerWaalsContact O-CA 3.3Å; Y796-I811 WeakPolarHBondContact O-CA 3.44Å; I811-Y844 HydrophobicContact CD1-CD1 3.39Å; I811-Y844 HydrophobicContact CD1-CE1 3.95Å; I811-Y844 HydrophobicContact CD1-CG 4.11Å; I811-Y844 HydrophobicContact CG1-CD1 4.08Å; I811-I845 PolarHBondContact N-O 3.5Å; I811-I845 VanDerWaalsContact O-O 3.09Å; I811-V846 CarbonylContact O-C 3.46Å; I811-V846 VanDerWaalsContact O-CA 3.27Å; I811-V846 WeakPolarHBondContact O-CA 3.24Å; I811-M847 PolarHBondContact O-N 2.86Å
812	C	85.2	Confident	76.2	Confident	4 Å²	4	48.6 Å²	48.6	3%	0.027	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	129.2	174.5	-69.7	0	0	0	0	110.5	A795 Y796 V798 V823 M847	A795-C812 CarbonylContact C-O 3.47Å; A795-C812 VanDerWaalsContact CA-O 3.27Å; A795-C812 WeakPolarHBondContact CA-O 3.49Å; A795-C812 WeakPolarHBondContact CB-O 3.42Å; Y796-C812 HydrophobicContact CD1-CB 4.2Å; Y796-C812 HydrophobicContact CD2-CB 4.09Å; Y796-C812 HydrophobicContact CE1-CB 3.63Å; Y796-C812 HydrophobicContact CE2-CB 3.5Å; Y796-C812 VanDerWaalsContact CE2-CB 3.5Å; Y796-C812 HydrophobicContact CG-CB 4.41Å; Y796-C812 PolarHBondContact N-O 3.29Å; Y796-C812 PolarHBondContact O-N 3.38Å; Y796-C812 WeakPolarHBondContact OH-CB 3.2Å; V798-C812 HydrophobicContact CG2-CB 4.31Å; V798-C812 WeakPolarHBondContact CG2-SG 3.47Å; C812-V823 WeakPolarHBondContact SG-CG1 3.47Å; C812-M847 WeakPolarHBondContact SG-CE 3.33Å
813	R	80.8	Confident	76.2	Confident	110 Å²	110	46.5 Å²	46.5	42%	0.415	25%	0.253	S	S	.	.			trans	-94.8	5.5	175.6	-82.7	-170.3	151.9	92.8	4.9	114.2	A795 V846 M847	A795-R813 HydrophobicContact CB-CG 3.53Å; R813-V846 HydrophobicContact CG-CG1 4.14Å; R813-M847 PolarHBondContact N-O 3.4Å
814	G	73.2	Confident	76.4	Confident	37 Å²	37	46.2 Å²	46.2	38%	0.381	25%	0.252	S	S	.	.	S	Bend	trans	-85.1	-164.3	-177.8	0	0	0	0	0	115.4	V816	G814-V816 PolarHBondContact O-N 2.87Å
815	S	76.7	Confident	76.7	Confident	36 Å²	36	50 Å²	50	25%	0.252	24%	0.243	S	C	.	.			trans	-60.1	132.6	176.8	-179.3	0	0	0	0	111.1	R817 A818	S815-R817 PolarHBondContact O-N 3.38Å; S815-R817 WeakPolarHBondContact OG-CB 3.39Å; S815-R817 PolarHBondContact OG-N 2.92Å; S815-R817 VanDerWaalsContact OG-N 3.14Å; S815-A818 PolarHBondContact O-N 2.61Å
816	V	83.7	Confident	77	Confident	0 Å²	0	51 Å²	51	0%	0	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-11.7	171.8	-61.4	0	0	0	0	111.7	W641 F704 V750 L753 Y796 G814 A818	W641-V816 PolarHBondContact NE1-O 2.95Å; F704-V816 HydrophobicContact CE1-CG1 4.47Å; F704-V816 HydrophobicContact CZ-CG1 3.7Å; V750-V816 HydrophobicContact CG1-CG2 4.3Å; L753-V816 HydrophobicContact CB-CG2 4.24Å; Y796-V816 HydrophobicContact CD1-CG1 4.3Å; G814-V816 PolarHBondContact O-N 2.87Å; V816-A818 VanDerWaalsContact C-N 3.28Å; V816-A818 PolarHBondContact O-N 3.18Å
817	R	79.1	Confident	77.6	Confident	33 Å²	33	40.7 Å²	40.7	13%	0.125	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-11	-179.6	-52.4	-173.4	179.5	-95.5	-4.1	112.6	P389 R392 V750 S815	P389-R817 HydrophobicContact CB-CB 4.39Å; P389-R817 WeakPolarHBondContact CB-O 3.44Å; P389-R817 HydrophobicContact CG-CB 3.97Å; P389-R817 WeakPolarHBondContact CG-O 3.38Å; R392-R817 VanDerWaalsContact NH2-NH1 3.13Å; R392-R817 VanDerWaalsContact NH2-NH2 3.18Å; V750-R817 HydrophobicContact CG1-CG 3.73Å; V750-R817 VanDerWaalsContact CG1-CZ 3.43Å; V750-R817 VanDerWaalsContact CG1-NH1 3.27Å; S815-R817 PolarHBondContact O-N 3.38Å; S815-R817 WeakPolarHBondContact OG-CB 3.39Å; S815-R817 PolarHBondContact OG-N 2.92Å; S815-R817 VanDerWaalsContact OG-N 3.14Å
818	A	73.4	Confident	78	Confident	24 Å²	24	35.2 Å²	35.2	20%	0.198	19%	0.193	C	C	.	.			trans	-63.5	141.7	-175.4	0	0	0	0	0	112.2	P640 S815 V816 V823	P640-A818 WeakPolarHBondContact CD-O 3.48Å; S815-A818 PolarHBondContact O-N 2.61Å; V816-A818 VanDerWaalsContact C-N 3.28Å; V816-A818 PolarHBondContact O-N 3.18Å; A818-V823 HydrophobicContact CB-CG2 3.32Å
819	N	74.6	Confident	77.9	Confident	38 Å²	38	38 Å²	38	20%	0.203	21%	0.214	C	C	.	.			trans	-80.6	162.9	179.6	70.7	32	0	0	0	112	I638 N821 T822 V823	I638-N819 HydrophobicContact CG1-CB 4.3Å; I638-N819 CarbonylContact O-C 3.6Å; N819-N821 VanDerWaalsContact C-N 3.26Å; N819-N821 PolarHBondContact O-N 2.66Å; N819-N821 PolarHBondContact OD1-N 3.43Å; N819-T822 PolarHBondContact O-N 3.47Å; N819-T822 VanDerWaalsContact OD1-CB 3.3Å; N819-T822 WeakPolarHBondContact OD1-CB 3.34Å; N819-T822 PolarHBondContact OD1-N 2.97Å; N819-T822 PolarHBondContact OD1-OG1 3.37Å; N819-T822 VanDerWaalsContact OD1-OG1 3.06Å; N819-V823 PolarHBondContact O-N 3.11Å
820	S	78.4	Confident	77.4	Confident	17 Å²	17	38.8 Å²	38.8	12%	0.119	22%	0.221	C	C	.	.	H	α-helix	trans	-61.5	-32.6	-178.7	56.1	0	0	0	0	112.6	I638 G824	I638-S820 WeakPolarHBondContact O-CA 3.46Å; I638-S820 VanDerWaalsContact O-CB 3.23Å; I638-S820 WeakPolarHBondContact O-CB 3.35Å; I638-S820 PolarHBondContact O-N 3.42Å; I638-S820 PolarHBondContact O-OG 2.73Å; S820-G824 WeakPolarHBondContact O-CA 3.01Å; S820-G824 PolarHBondContact O-N 2.84Å
821	N	74.6	Confident	76.8	Confident	109 Å²	109	39.1 Å²	39.1	58%	0.583	22%	0.224	S	C	*	.	H	α-helix	trans	-69.6	-48.1	-179.4	-68.9	-21.6	0	0	0	112.2	N819 R825	N819-N821 VanDerWaalsContact C-N 3.26Å; N819-N821 PolarHBondContact O-N 2.66Å; N819-N821 PolarHBondContact OD1-N 3.43Å; N821-R825 VanDerWaalsContact O-CB 3.27Å; N821-R825 WeakPolarHBondContact O-CB 3.02Å; N821-R825 VanDerWaalsContact O-CG 3.25Å; N821-R825 WeakPolarHBondContact O-CG 3.35Å; N821-R825 PolarHBondContact O-N 2.72Å; N821-R825 VanDerWaalsContact O-N 3.1Å
822	T	71.4	Confident	76.1	Confident	36 Å²	36	41.9 Å²	41.9	22%	0.221	25%	0.247	C	C	.	.	H	α-helix	trans	-65.3	-52.7	-179.3	-65.8	0	0	0	0	110.5	A314 N819 A826	A314-T822 VanDerWaalsContact C-OG1 3.3Å; A314-T822 WeakPolarHBondContact O-CG2 3.28Å; A314-T822 PolarHBondContact O-OG1 3.24Å; N819-T822 PolarHBondContact O-N 3.47Å; N819-T822 VanDerWaalsContact OD1-CB 3.3Å; N819-T822 WeakPolarHBondContact OD1-CB 3.34Å; N819-T822 PolarHBondContact OD1-N 2.97Å; N819-T822 PolarHBondContact OD1-OG1 3.37Å; N819-T822 VanDerWaalsContact OD1-OG1 3.06Å; T822-A826 WeakPolarHBondContact O-CB 3.27Å; T822-A826 PolarHBondContact O-N 3.27Å
823	V	77.1	Confident	75.2	Confident	10 Å²	10	46.9 Å²	46.9	6%	0.061	28%	0.278	C	S	.	.	H	α-helix	trans	-75.4	-42.1	-175.8	180	0	0	0	0	110.7	P640 Y796 V798 C812 A818 N819 R825 A826 A827 M847	P640-V823 HydrophobicContact CB-CB 4.04Å; P640-V823 HydrophobicContact CB-CG1 3.94Å; P640-V823 HydrophobicContact CG-CB 3.86Å; P640-V823 HydrophobicContact CG-CG1 3.99Å; P640-V823 HydrophobicContact CG-CG2 3.99Å; Y796-V823 HydrophobicContact CE2-CG1 4.32Å; V798-V823 HydrophobicContact CG1-CG1 4.39Å; V798-V823 HydrophobicContact CG2-CG1 3.9Å; C812-V823 WeakPolarHBondContact SG-CG1 3.47Å; A818-V823 HydrophobicContact CB-CG2 3.32Å; N819-V823 PolarHBondContact O-N 3.11Å; V823-R825 PolarHBondContact O-N 2.88Å; V823-A826 PolarHBondContact O-N 3.17Å; V823-A827 WeakPolarHBondContact O-CB 3.4Å; V823-A827 PolarHBondContact O-N 3.49Å; V823-M847 HydrophobicContact CG1-CE 3.8Å; V823-M847 WeakPolarHBondContact O-CE 3.34Å
824	G	77.7	Confident	74.4	Confident	4 Å²	4	43.2 Å²	43.2	4%	0.041	27%	0.272	C	S	.	.	H	α-helix	trans	-59.7	-45	178.7	0	0	0	0	0	112.3	S820 A827 A828	S820-G824 WeakPolarHBondContact O-CA 3.01Å; S820-G824 PolarHBondContact O-N 2.84Å; G824-A827 PolarHBondContact O-N 3.41Å; G824-A828 VanDerWaalsContact O-CB 3.25Å; G824-A828 WeakPolarHBondContact O-CB 3.09Å; G824-A828 PolarHBondContact O-N 3.41Å
825	R	74	Confident	73.8	Confident	157 Å²	157	45.2 Å²	45.2	59%	0.592	28%	0.28	S	S	*	.	H	α-helix	trans	-64.7	-46.6	175.3	-74.6	179.5	178.5	-174.8	0.4	112.3	N821 V823 A827 A828 V829	N821-R825 VanDerWaalsContact O-CB 3.27Å; N821-R825 WeakPolarHBondContact O-CB 3.02Å; N821-R825 VanDerWaalsContact O-CG 3.25Å; N821-R825 WeakPolarHBondContact O-CG 3.35Å; N821-R825 PolarHBondContact O-N 2.72Å; N821-R825 VanDerWaalsContact O-N 3.1Å; V823-R825 PolarHBondContact O-N 2.88Å; R825-A827 VanDerWaalsContact C-N 3.26Å; R825-A827 PolarHBondContact O-N 3.01Å; R825-A828 PolarHBondContact O-N 3.21Å; R825-V829 WeakPolarHBondContact O-CB 3.26Å; R825-V829 VanDerWaalsContact O-CG2 3.28Å; R825-V829 WeakPolarHBondContact O-CG2 3.47Å; R825-V829 PolarHBondContact O-N 3.47Å
826	A	76	Confident	72.7	Confident	46 Å²	46	47.3 Å²	47.3	38%	0.38	31%	0.307	S	S	.	.	H	α-helix	trans	-59.6	-41.6	176.6	0	0	0	0	0	111.1	T822 V823 V829 A830 M847	T822-A826 WeakPolarHBondContact O-CB 3.27Å; T822-A826 PolarHBondContact O-N 3.27Å; V823-A826 PolarHBondContact O-N 3.17Å; A826-V829 PolarHBondContact O-N 3.46Å; A826-A830 VanDerWaalsContact O-CB 3.29Å; A826-A830 WeakPolarHBondContact O-CB 3.26Å; A826-A830 PolarHBondContact O-N 3.2Å; A826-M847 HydrophobicContact CB-CE 3.96Å; A826-M847 HydrophobicContact CB-SD 3.66Å; A826-M847 VanDerWaalsContact O-SD 3.39Å
827	A	77	Confident	71.2	Confident	0 Å²	0	49 Å²	49	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-65.9	-44.4	178.5	0	0	0	0	0	111.5	V798 T803 V810 V823 G824 R825 A830 A831 M847	V798-A827 HydrophobicContact CG1-CB 4.2Å; T803-A827 HydrophobicContact CG2-CB 3.78Å; V810-A827 HydrophobicContact CB-CB 4.13Å; V810-A827 HydrophobicContact CG1-CB 3.72Å; V810-A827 HydrophobicContact CG2-CB 4.14Å; V823-A827 WeakPolarHBondContact O-CB 3.4Å; V823-A827 PolarHBondContact O-N 3.49Å; G824-A827 PolarHBondContact O-N 3.41Å; R825-A827 VanDerWaalsContact C-N 3.26Å; R825-A827 PolarHBondContact O-N 3.01Å; A827-A830 PolarHBondContact O-N 2.82Å; A827-A831 VanDerWaalsContact O-CB 3.27Å; A827-A831 WeakPolarHBondContact O-CB 3.48Å; A827-A831 PolarHBondContact O-N 3.02Å; A827-M847 WeakPolarHBondContact CA-SD 3.38Å; A827-M847 HydrophobicContact CB-CE 3.53Å; A827-M847 HydrophobicContact CB-SD 4.18Å; A827-M847 PolarHBondContact N-SD 2.89Å
828	A	75.7	Confident	69.5	Low	33 Å²	33	57.8 Å²	57.8	27%	0.273	36%	0.364	S	S	.	.	H	α-helix	trans	-62.5	-42.5	176.1	0	0	0	0	0	111.2	G824 R825 A831 A832	G824-A828 VanDerWaalsContact O-CB 3.25Å; G824-A828 WeakPolarHBondContact O-CB 3.09Å; G824-A828 PolarHBondContact O-N 3.41Å; R825-A828 PolarHBondContact O-N 3.21Å; A828-A831 PolarHBondContact O-N 3.35Å; A828-A832 VanDerWaalsContact O-CB 3.25Å; A828-A832 WeakPolarHBondContact O-CB 3.37Å; A828-A832 PolarHBondContact O-N 3.41Å
829	V	73	Confident	68.2	Low	92 Å²	92	60.5 Å²	60.5	56%	0.558	38%	0.378	S	S	*	.	H	α-helix	trans	-65.3	-42.1	174.1	172.8	0	0	0	0	111	R825 A826 A831 A832 T833	R825-V829 WeakPolarHBondContact O-CB 3.26Å; R825-V829 VanDerWaalsContact O-CG2 3.28Å; R825-V829 WeakPolarHBondContact O-CG2 3.47Å; R825-V829 PolarHBondContact O-N 3.47Å; A826-V829 PolarHBondContact O-N 3.46Å; V829-A831 VanDerWaalsContact C-N 3.34Å; V829-A831 PolarHBondContact O-N 2.95Å; V829-A832 PolarHBondContact O-N 2.79Å; V829-T833 HydrophobicContact CG1-CG2 4.36Å; V829-T833 WeakPolarHBondContact O-CB 3.35Å; V829-T833 VanDerWaalsContact O-CG2 3.3Å; V829-T833 WeakPolarHBondContact O-CG2 3.33Å; V829-T833 PolarHBondContact O-N 3.01Å; V829-T833 PolarHBondContact O-OG1 2.91Å
830	A	72.5	Confident	66.8	Low	21 Å²	21	63.1 Å²	63.1	17%	0.174	41%	0.414	C	S	.	.	H	α-helix	trans	-65.1	-38.9	177	0	0	0	0	0	111.5	A826 A827 T833 A834 I845 M847	A826-A830 VanDerWaalsContact O-CB 3.29Å; A826-A830 WeakPolarHBondContact O-CB 3.26Å; A826-A830 PolarHBondContact O-N 3.2Å; A827-A830 PolarHBondContact O-N 2.82Å; A830-T833 WeakPolarHBondContact CA-OG1 3.41Å; A830-T833 PolarHBondContact O-OG1 3.16Å; A830-A834 WeakPolarHBondContact O-CB 3.3Å; A830-A834 PolarHBondContact O-N 2.95Å; A830-I845 HydrophobicContact CB-CG2 3.56Å; A830-M847 HydrophobicContact CB-CG 4.2Å; A830-M847 HydrophobicContact CB-SD 4Å
831	A	72.1	Confident	65.4	Low	8 Å²	8	69.6 Å²	69.6	7%	0.066	44%	0.442	C	S	.	.	H	α-helix	trans	-65.4	-45	173.5	0	0	0	0	0	112.7	A827 A828 V829 A834 S835 I845	A827-A831 VanDerWaalsContact O-CB 3.27Å; A827-A831 WeakPolarHBondContact O-CB 3.48Å; A827-A831 PolarHBondContact O-N 3.02Å; A828-A831 PolarHBondContact O-N 3.35Å; V829-A831 VanDerWaalsContact C-N 3.34Å; V829-A831 PolarHBondContact O-N 2.95Å; A831-A834 PolarHBondContact O-N 3.17Å; A831-S835 PolarHBondContact O-N 2.78Å; A831-S835 VanDerWaalsContact O-N 3.13Å; A831-I845 HydrophobicContact CB-CD1 3.91Å
832	A	71.3	Confident	64	Low	64 Å²	64	69.4 Å²	69.4	53%	0.529	44%	0.441	S	S	.	.	H	α-helix	trans	-67.7	-34.4	177.1	0	0	0	0	0	112.8	A828 V829 S835	A828-A832 VanDerWaalsContact O-CB 3.25Å; A828-A832 WeakPolarHBondContact O-CB 3.37Å; A828-A832 PolarHBondContact O-N 3.41Å; V829-A832 PolarHBondContact O-N 2.79Å; A832-S835 PolarHBondContact O-N 3.03Å; A832-S835 PolarHBondContact O-OG 2.74Å
833	T	67.6	Low	63.3	Low	110 Å²	110	71 Å²	71	68%	0.675	45%	0.446	S	S	*	.	H	α-helix	trans	-74.2	-29.4	175.4	49.7	0	0	0	0	112.2	V829 A830	V829-T833 HydrophobicContact CG1-CG2 4.36Å; V829-T833 WeakPolarHBondContact O-CB 3.35Å; V829-T833 VanDerWaalsContact O-CG2 3.3Å; V829-T833 WeakPolarHBondContact O-CG2 3.33Å; V829-T833 PolarHBondContact O-N 3.01Å; V829-T833 PolarHBondContact O-OG1 2.91Å; A830-T833 WeakPolarHBondContact CA-OG1 3.41Å; A830-T833 PolarHBondContact O-OG1 3.16Å
834	A	64.5	Low	62.8	Low	33 Å²	33	74.3 Å²	74.3	27%	0.273	46%	0.458	S	S	.	.	H	α-helix	trans	-78	-17.2	174.7	0	0	0	0	0	113.2	R808 A830 A831 G836 I845	R808-A834 VanDerWaalsContact NH1-CB 3.31Å; R808-A834 PolarHBondContact NH1-O 2.55Å; A830-A834 WeakPolarHBondContact O-CB 3.3Å; A830-A834 PolarHBondContact O-N 2.95Å; A831-A834 PolarHBondContact O-N 3.17Å; A834-G836 PolarHBondContact O-N 3.24Å; A834-I845 HydrophobicContact CB-CD1 3.89Å; A834-I845 HydrophobicContact CB-CG1 4.48Å
835	S	59.6	Low	62.2	Low	79 Å²	79	75.2 Å²	75.2	55%	0.552	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-9.9	-175.2	64.9	0	0	0	0	113.8	A831 A832 G837	A831-S835 PolarHBondContact O-N 2.78Å; A831-S835 VanDerWaalsContact O-N 3.13Å; A832-S835 PolarHBondContact O-N 3.03Å; A832-S835 PolarHBondContact O-OG 2.74Å; S835-G837 PolarHBondContact O-N 2.89Å
836	G	54.1	Low	61.9	Low	79 Å²	79	70.9 Å²	70.9	81%	0.814	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-2	175.9	0	0	0	0	0	116.3	A834	A834-G836 PolarHBondContact O-N 3.24Å
837	G	51	Low	61	Low	37 Å²	37	73.1 Å²	73.1	38%	0.381	46%	0.456	S	S	.	.			trans	-106.8	113.9	179.2	0	0	0	0	0	113.1	S835 T839	S835-G837 PolarHBondContact O-N 2.89Å; G837-T839 PolarHBondContact O-N 3.47Å
838	K	44	Very low	60.2	Low	217 Å²	217	76.8 Å²	76.8	94%	0.943	48%	0.479	S	S	*	.			trans	-71	69.9	170.8	-73	179.8	175	175.6	0	111.5
839	T	46.7	Very low	59.4	Low	81 Å²	81	79.1 Å²	79.1	50%	0.497	49%	0.49	S	S	.	.			trans	-138.6	104.9	171.6	55.2	0	0	0	0	110.1	G837 Q841 Q843	G837-T839 PolarHBondContact O-N 3.47Å; T839-Q841 PolarHBondContact O-N 3.15Å; T839-Q843 PolarHBondContact OG1-NE2 2.77Å; T839-Q843 VanDerWaalsContact OG1-NE2 3.16Å
840	G	45.3	Very low	58.6	Low	93 Å²	93	78.3 Å²	78.3	96%	0.959	49%	0.486	S	S	*	.			trans	-73.4	58.6	179	0	0	0	0	0	113.7
841	Q	47.5	Very low	57.8	Low	153 Å²	153	81.7 Å²	81.7	72%	0.715	50%	0.504	S	S	*	.	S	Bend	trans	-114.5	140.2	165.2	-74	-173.7	-27.1	0	0	108	T839 Q843	T839-Q841 PolarHBondContact O-N 3.15Å; Q841-Q843 WeakPolarHBondContact O-CG 2.84Å; Q841-Q843 PolarHBondContact O-N 2.73Å
842	N	46.1	Very low	56.9	Low	104 Å²	104	86.3 Å²	86.3	56%	0.556	53%	0.532	S	S	*	.			trans	-56.5	105.8	177.1	-68.5	-32.3	0	0	0	109.9
843	Q	57.2	Low	55.9	Low	70 Å²	70	87.8 Å²	87.8	33%	0.327	53%	0.532	S	S	.	.			trans	-112.4	122.9	-174.3	-43.6	-163.3	-21.5	0	0	110.8	T839 Q841	T839-Q843 PolarHBondContact OG1-NE2 2.77Å; T839-Q843 VanDerWaalsContact OG1-NE2 3.16Å; Q841-Q843 WeakPolarHBondContact O-CG 2.84Å; Q841-Q843 PolarHBondContact O-N 2.73Å
844	Y	65.7	Low	55.1	Low	80 Å²	80	86.2 Å²	86.2	31%	0.314	52%	0.522	S	S	.	.			trans	-79.3	147.3	167.1	-48.4	-107.4	0	0	0	109.8	L656 G657 L809 I811	L656-Y844 PolarHBondContact O-OH 3.41Å; G657-Y844 WeakPolarHBondContact CA-OH 3.3Å; G657-Y844 PolarHBondContact N-OH 3.08Å; G657-Y844 VanDerWaalsContact N-OH 3.12Å; G657-Y844 PolarHBondContact O-OH 3.41Å; L809-Y844 HydrophobicContact CB-CD1 4.14Å; L809-Y844 HydrophobicContact CD1-CE1 4.39Å; L809-Y844 CarbonylContact O-C 3.56Å; L809-Y844 WeakPolarHBondContact O-CA 3.23Å; I811-Y844 HydrophobicContact CD1-CD1 3.39Å; I811-Y844 HydrophobicContact CD1-CE1 3.95Å; I811-Y844 HydrophobicContact CD1-CG 4.11Å; I811-Y844 HydrophobicContact CG1-CD1 4.08Å
845	I	65.8	Low	54.4	Low	22 Å²	22	90.3 Å²	90.3	11%	0.113	54%	0.541	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	110.9	171	-59.1	176.9	0	0	0	107	L809 V810 I811 A830 A831 A834 M847	L809-I845 PolarHBondContact O-N 2.68Å; V810-I845 CarbonylContact C-O 3.57Å; V810-I845 WeakPolarHBondContact CA-O 3.23Å; V810-I845 HydrophobicContact CB-CB 4.49Å; V810-I845 HydrophobicContact CG1-CB 4.24Å; V810-I845 HydrophobicContact CG1-CG2 4.34Å; V810-I845 WeakPolarHBondContact CG1-O 3.43Å; V810-I845 HydrophobicContact CG2-CB 4.15Å; V810-I845 HydrophobicContact CG2-CD1 4.36Å; I811-I845 PolarHBondContact N-O 3.5Å; I811-I845 VanDerWaalsContact O-O 3.09Å; A830-I845 HydrophobicContact CB-CG2 3.56Å; A831-I845 HydrophobicContact CB-CD1 3.91Å; A834-I845 HydrophobicContact CB-CD1 3.89Å; A834-I845 HydrophobicContact CB-CG1 4.48Å; I845-M847 HydrophobicContact CG2-CG 4.48Å
846	V	67.5	Low	53.9	Low	67 Å²	67	91.3 Å²	91.3	41%	0.406	54%	0.54	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	116.1	176.3	-174.9	0	0	0	0	108.5	I811 R813	I811-V846 CarbonylContact O-C 3.46Å; I811-V846 VanDerWaalsContact O-CA 3.27Å; I811-V846 WeakPolarHBondContact O-CA 3.24Å; R813-V846 HydrophobicContact CG-CG1 4.14Å
847	M	56.4	Low	53.9	Low	92 Å²	92	92.4 Å²	92.4	45%	0.453	52%	0.515	S	S	.	.			trans	-96.2	0	171.4	-66.7	-156	-58.6	0	0	112.7	V810 I811 C812 R813 V823 A826 A827 A830 I845	V810-M847 HydrophobicContact CG1-CE 4.03Å; V810-M847 HydrophobicContact CG1-CG 4.02Å; V810-M847 HydrophobicContact CG1-SD 4.42Å; I811-M847 PolarHBondContact O-N 2.86Å; C812-M847 WeakPolarHBondContact SG-CE 3.33Å; R813-M847 PolarHBondContact N-O 3.4Å; V823-M847 HydrophobicContact CG1-CE 3.8Å; V823-M847 WeakPolarHBondContact O-CE 3.34Å; A826-M847 HydrophobicContact CB-CE 3.96Å; A826-M847 HydrophobicContact CB-SD 3.66Å; A826-M847 VanDerWaalsContact O-SD 3.39Å; A827-M847 WeakPolarHBondContact CA-SD 3.38Å; A827-M847 HydrophobicContact CB-CE 3.53Å; A827-M847 HydrophobicContact CB-SD 4.18Å; A827-M847 PolarHBondContact N-SD 2.89Å; A830-M847 HydrophobicContact CB-CG 4.2Å; A830-M847 HydrophobicContact CB-SD 4Å; I845-M847 HydrophobicContact CG2-CG 4.48Å

Retrieved 847 of 847 residues in 744.6 ms (Link to these results)

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