A0A087XSE6_POEFO Loading...

StAR-related lipid transfer protein 13

AlphaFold DB , UniProt , Accession A0A087XSE6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,062 aa.

						>A0A087XSE6_POEFO|A0A087XSE6
MMKISQIEAKEACDWLRAAGFPQYAQLFEDSQFPIDITPVKRDHDFLDKDLVETLCKRLNTLNKCASMKLDVNLPKKKSEDSDEEDLFAISDKWTFEWSSRRWSRLQDINCLLRTHGEGQTSKDGLPLHSTTSRESVLTDLSEPEVSSLHSESSGGSGRRGLSTEDSDCSNRTCSDSAAMPDLTSLTMPHIPKEFSHYRSVPDKQGKFSRTRAKDFLKRMETLRSKGTSVRDRKTLVISSPVMQQEAQALKTLHCVEIVNGDAGAPELPSGRILSPQSGSEGSSHSSGSTVSTPSLKERKAHRADHKRSGMYLEDLDIFSGNQMNKVAEHNRRNEFCSYEDLVVHIPKDHKPGTFPKALSIESLSPTNGAINWHTGSMHLDSTLISCRKESRPVTQCCSRGSRISVYDNVPGSHLYASTGDLIDLEKEDLFPHLDDILLHVNGLQQIVDHWSKNVLPTGEGVMQVDSEKEDTVRLQSSSQITLDFEENSVTESQTTPGDGDRDKVSLAETESTRFRERRDSGVGASLTRPNRLRWPSFQISNRLSHSMASLQITNQSAGQLSLLQKFSLLRLTAIMEKYSMSNKHGWTWSVPKFMKRTKVPDYKDKNVFGVPLIVNVQRSGQPLPLGLQQALRYLRSQCLDQVGLFRKSGVKSRIHALRQMNESSPDNVNYEDQSAYDVADMVKQFFRDLPEPLLTSKLGETFLHIYQYVPKDQRLQAVQAAIMLMPDENREVLQTLLCFLSDVTSSVEENQMTPMNIAVCLAPSLFHLNIMRKDNLSPKAMQKKYATGRPDQKDLNENLAATQGLAHMIMECNRLFEIPHEMVTQSRNSYVEADLHAPTIDELCRQLEEDDGTYQTHLEGRLQTFLKEAREKSKYWVSCSSSDNTELYYKKVGDGNPLRRWRVSVEVEAPPSVVLNRVLRERHLWDMDLLQWKVCETLDKQTEVFQYVLSRMPPHPSRDFVALRSWRTDLPKGACSLVSVSIEHEDSSATEGVRAMILESNYLLEPCGSGKSRLTHICRVDLKGRTPDWYNKAFGHLCAAEAARIRNSFQPLIADGPETKI
					

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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	56.4	Low	75	Confident	177 Å²	177	87.5 Å²	87.5	87%	0.872	42%	0.418	S	S	*	.				0	-81	0	-146	162.4	-171.5	0	0	111.4	K3 I4 S5 M68	M1-K3 PolarHBondContact O-N 2.61Å; M1-K3 VanDerWaalsContact O-N 3.07Å; M1-I4 WeakPolarHBondContact O-CA 3.32Å; M1-I4 WeakPolarHBondContact O-CB 3.32Å; M1-I4 PolarHBondContact O-N 2.76Å; M1-S5 PolarHBondContact O-N 3.29Å; M1-M68 HydrophobicContact CG-CE 4.47Å
2	M	61.2	Low	75.8	Confident	125 Å²	125	80.8 Å²	80.8	62%	0.616	39%	0.388	S	S	*	.	H	α-helix	trans	-41.8	-49.8	-174.3	-69.7	171.7	162.3	0	0	116.2	I4 S5 Q6 L70	M2-I4 PolarHBondContact O-N 2.8Å; M2-S5 PolarHBondContact O-N 3.45Å; M2-Q6 WeakPolarHBondContact O-CG 3.47Å; M2-Q6 PolarHBondContact O-N 3.19Å; M2-L70 HydrophobicContact CB-CD2 3.92Å; M2-L70 HydrophobicContact CG-CD2 3.81Å
3	K	68.5	Low	76.6	Confident	167 Å²	167	74.8 Å²	74.8	73%	0.726	36%	0.36	S	S	*	.	H	α-helix	trans	-60.5	-27.8	178.2	-71.8	-172	176.9	-177.8	0	114.8	M1 I7	M1-K3 PolarHBondContact O-N 2.61Å; M1-K3 VanDerWaalsContact O-N 3.07Å; K3-I7 WeakPolarHBondContact O-CD1 3.34Å; K3-I7 WeakPolarHBondContact O-CG1 3.37Å; K3-I7 PolarHBondContact O-N 3.06Å
4	I	74.5	Confident	77.1	Confident	103 Å²	103	71.9 Å²	71.9	53%	0.528	35%	0.347	S	S	.	.	H	α-helix	trans	-73.3	-49.7	175.6	-60.3	172.2	0	0	0	108.3	M1 M2 Q6 I7 E8	M1-I4 WeakPolarHBondContact O-CA 3.32Å; M1-I4 WeakPolarHBondContact O-CB 3.32Å; M1-I4 PolarHBondContact O-N 2.76Å; M2-I4 PolarHBondContact O-N 2.8Å; I4-Q6 VanDerWaalsContact C-N 3.29Å; I4-Q6 PolarHBondContact O-N 3.08Å; I4-I7 CarbonylContact O-C 3.53Å; I4-I7 WeakPolarHBondContact O-CA 3.33Å; I4-I7 VanDerWaalsContact O-CB 3.31Å; I4-I7 WeakPolarHBondContact O-CB 3.19Å; I4-I7 PolarHBondContact O-N 3Å; I4-E8 HydrophobicContact CG2-CG 4.23Å; I4-E8 WeakPolarHBondContact O-CG 3.45Å; I4-E8 PolarHBondContact O-N 3.21Å
5	S	74.7	Confident	77.8	Confident	6 Å²	6	67.4 Å²	67.4	4%	0.042	33%	0.325	C	S	.	.	H	α-helix	trans	-70.5	-21.3	-179.7	-55.1	0	0	0	0	114.5	M1 M2 I7 E8 A9 C65	M1-S5 PolarHBondContact O-N 3.29Å; M2-S5 PolarHBondContact O-N 3.45Å; S5-I7 VanDerWaalsContact C-N 3.32Å; S5-E8 WeakPolarHBondContact CA-OE2 2.94Å; S5-E8 VanDerWaalsContact CB-OE2 3.26Å; S5-E8 WeakPolarHBondContact CB-OE2 3.37Å; S5-E8 PolarHBondContact OG-OE2 2.92Å; S5-A9 VanDerWaalsContact O-CB 3.23Å; S5-A9 WeakPolarHBondContact O-CB 3.43Å; S5-A9 PolarHBondContact O-N 3.43Å; S5-C65 PolarHBondContact O-SG 2.77Å
6	Q	77.4	Confident	78.4	Confident	71 Å²	71	63.2 Å²	63.2	33%	0.332	31%	0.305	S	S	.	.	H	α-helix	trans	-67.6	-29.1	164.1	-75	175.4	-36.1	0	0	113.1	M2 I4 K10 L70	M2-Q6 WeakPolarHBondContact O-CG 3.47Å; M2-Q6 PolarHBondContact O-N 3.19Å; I4-Q6 VanDerWaalsContact C-N 3.29Å; I4-Q6 PolarHBondContact O-N 3.08Å; Q6-K10 WeakPolarHBondContact O-CB 3.32Å; Q6-K10 PolarHBondContact O-N 2.91Å; Q6-L70 HydrophobicContact CG-CB 4.47Å; Q6-L70 HydrophobicContact CG-CD1 4.5Å; Q6-L70 HydrophobicContact CG-CD2 4.41Å
7	I	79.3	Confident	78.9	Confident	94 Å²	94	62.5 Å²	62.5	48%	0.482	30%	0.298	S	S	.	.	H	α-helix	trans	-78.1	-47.7	171.9	-64.8	163.9	0	0	0	109.4	K3 I4 S5 A9 K10 E11	K3-I7 WeakPolarHBondContact O-CD1 3.34Å; K3-I7 WeakPolarHBondContact O-CG1 3.37Å; K3-I7 PolarHBondContact O-N 3.06Å; I4-I7 CarbonylContact O-C 3.53Å; I4-I7 WeakPolarHBondContact O-CA 3.33Å; I4-I7 VanDerWaalsContact O-CB 3.31Å; I4-I7 WeakPolarHBondContact O-CB 3.19Å; I4-I7 PolarHBondContact O-N 3Å; S5-I7 VanDerWaalsContact C-N 3.32Å; I7-A9 VanDerWaalsContact C-N 3.33Å; I7-A9 PolarHBondContact O-N 3.19Å; I7-K10 CarbonylContact O-C 3.59Å; I7-K10 PolarHBondContact O-N 3.27Å; I7-E11 HydrophobicContact CG2-CG 4.14Å; I7-E11 WeakPolarHBondContact O-CG 3.43Å; I7-E11 PolarHBondContact O-N 2.63Å
8	E	81.6	Confident	79.1	Confident	71 Å²	71	59.8 Å²	59.8	33%	0.332	29%	0.288	S	S	.	.	H	α-helix	trans	-54.5	-46	176.4	-62.1	169.2	147.2	0	0	111.6	I4 S5 E11 A12 T61	I4-E8 HydrophobicContact CG2-CG 4.23Å; I4-E8 WeakPolarHBondContact O-CG 3.45Å; I4-E8 PolarHBondContact O-N 3.21Å; S5-E8 WeakPolarHBondContact CA-OE2 2.94Å; S5-E8 VanDerWaalsContact CB-OE2 3.26Å; S5-E8 WeakPolarHBondContact CB-OE2 3.37Å; S5-E8 PolarHBondContact OG-OE2 2.92Å; E8-E11 PolarHBondContact O-N 2.91Å; E8-A12 VanDerWaalsContact O-CB 3.32Å; E8-A12 WeakPolarHBondContact O-CB 3.37Å; E8-A12 PolarHBondContact O-N 3.34Å; E8-T61 HydrophobicContact CB-CG2 3.99Å
9	A	83.6	Confident	79.5	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-63.5	-42	176.1	0	0	0	0	0	112.3	S5 I7 A12 C13 F28 L62 C65 V72	S5-A9 VanDerWaalsContact O-CB 3.23Å; S5-A9 WeakPolarHBondContact O-CB 3.43Å; S5-A9 PolarHBondContact O-N 3.43Å; I7-A9 VanDerWaalsContact C-N 3.33Å; I7-A9 PolarHBondContact O-N 3.19Å; A9-A12 PolarHBondContact O-N 2.98Å; A9-C13 PolarHBondContact O-N 3.41Å; A9-C13 PolarHBondContact O-SG 3.03Å; A9-F28 HydrophobicContact CB-CE1 4.15Å; A9-F28 HydrophobicContact CB-CZ 3.96Å; A9-L62 HydrophobicContact CB-CD2 4.03Å; A9-L62 WeakPolarHBondContact O-CD2 3.47Å; A9-C65 HydrophobicContact CB-CB 3.94Å; A9-V72 HydrophobicContact CB-CG2 4.19Å
10	K	83.4	Confident	79.9	Confident	82 Å²	82	53.8 Å²	53.8	36%	0.357	26%	0.259	S	S	.	.	H	α-helix	trans	-67.4	-41.8	178.4	177.5	168.5	-177	167.6	0	112.3	Q6 I7 A12 C13 D14 L74	Q6-K10 WeakPolarHBondContact O-CB 3.32Å; Q6-K10 PolarHBondContact O-N 2.91Å; I7-K10 CarbonylContact O-C 3.59Å; I7-K10 PolarHBondContact O-N 3.27Å; K10-A12 VanDerWaalsContact C-N 3.33Å; K10-C13 PolarHBondContact O-N 2.81Å; K10-D14 WeakPolarHBondContact O-CB 3.45Å; K10-D14 PolarHBondContact O-N 3.42Å; K10-L74 HydrophobicContact CB-CD2 4.28Å; K10-L74 HydrophobicContact CD-CD2 3.9Å; K10-L74 HydrophobicContact CG-CD2 3.9Å
11	E	84	Confident	80.3	Confident	66 Å²	66	51.2 Å²	51.2	31%	0.308	25%	0.247	S	C	.	.	H	α-helix	trans	-68.1	-35.5	177.6	-71.4	178.4	167.2	0	0	111.1	I7 E8 W15	I7-E11 HydrophobicContact CG2-CG 4.14Å; I7-E11 WeakPolarHBondContact O-CG 3.43Å; I7-E11 PolarHBondContact O-N 2.63Å; E8-E11 PolarHBondContact O-N 2.91Å; E11-W15 WeakPolarHBondContact O-CB 3.46Å; E11-W15 PolarHBondContact O-N 2.72Å
12	A	85.4	Confident	81.7	Confident	8 Å²	8	43 Å²	43	7%	0.066	21%	0.206	C	C	.	.	H	α-helix	trans	-64.2	-44.6	170.2	0	0	0	0	0	112.3	E8 A9 K10 W15 L16 R58 L62	E8-A12 VanDerWaalsContact O-CB 3.32Å; E8-A12 WeakPolarHBondContact O-CB 3.37Å; E8-A12 PolarHBondContact O-N 3.34Å; A9-A12 PolarHBondContact O-N 2.98Å; K10-A12 VanDerWaalsContact C-N 3.33Å; A12-W15 PolarHBondContact O-N 2.77Å; A12-L16 WeakPolarHBondContact O-CB 3.25Å; A12-L16 VanDerWaalsContact O-CG 3.24Å; A12-L16 WeakPolarHBondContact O-CG 3.35Å; A12-L16 PolarHBondContact O-N 3.4Å; A12-R58 HydrophobicContact CB-CB 4.27Å; A12-R58 HydrophobicContact CB-CG 4.36Å; A12-L62 HydrophobicContact CB-CD2 3.89Å; A12-L62 HydrophobicContact CB-CG 4.03Å
13	C	85.2	Confident	83	Confident	2 Å²	2	37 Å²	37	1%	0.014	18%	0.177	C	C	.	.	H	α-helix	trans	-64.8	-50.2	174.5	-74.3	0	0	0	0	112.2	A9 K10 W15 L16 R17 A25	A9-C13 PolarHBondContact O-N 3.41Å; A9-C13 PolarHBondContact O-SG 3.03Å; K10-C13 PolarHBondContact O-N 2.81Å; C13-W15 PolarHBondContact O-N 2.71Å; C13-L16 PolarHBondContact O-N 3.46Å; C13-L16 VanDerWaalsContact O-N 3.17Å; C13-R17 WeakPolarHBondContact O-CG 3.43Å; C13-R17 PolarHBondContact O-N 2.7Å; C13-A25 HydrophobicContact CB-CB 4.25Å
14	D	83.6	Confident	84	Confident	35 Å²	35	29.2 Å²	29.2	19%	0.187	14%	0.143	C	C	.	.	H	α-helix	trans	-52.5	-43.4	175.2	-78.6	-23.6	0	0	0	110.2	K10 A18 V591 K593	K10-D14 WeakPolarHBondContact O-CB 3.45Å; K10-D14 PolarHBondContact O-N 3.42Å; D14-A18 WeakPolarHBondContact O-CB 3.24Å; D14-A18 PolarHBondContact O-N 3.46Å; D14-V591 HydrophobicContact CB-CG2 3.94Å; D14-K593 IonicContact OD1-NZ 3.77Å; D14-K593 PolarHBondContact OD1-NZ 2.91Å; D14-K593 VanDerWaalsContact OD1-NZ 3.08Å; D14-K593 WeakPolarHBondContact OD2-CE 3.45Å; D14-K593 IonicContact OD2-NZ 2.78Å; D14-K593 PolarHBondContact OD2-NZ 2.66Å
15	W	87.9	Confident	84.6	Confident	4 Å²	4	24.3 Å²	24.3	2%	0.015	12%	0.118	C	C	.	.	H	α-helix	trans	-68	-44.6	177.9	-177.4	92.6	0	0	0	112.8	E11 A12 C13 R17 A18 A19 F21 T54 L55 R58 L570 T573 W589 V591	E11-W15 WeakPolarHBondContact O-CB 3.46Å; E11-W15 PolarHBondContact O-N 2.72Å; A12-W15 PolarHBondContact O-N 2.77Å; C13-W15 PolarHBondContact O-N 2.71Å; W15-R17 VanDerWaalsContact C-N 3.3Å; W15-R17 PolarHBondContact O-N 3.01Å; W15-A18 PolarHBondContact O-N 3.18Å; W15-A19 HydrophobicContact CD2-CB 3.99Å; W15-A19 HydrophobicContact CE3-CB 4.07Å; W15-A19 HydrophobicContact CH2-CB 3.98Å; W15-A19 HydrophobicContact CZ2-CB 3.86Å; W15-A19 HydrophobicContact CZ3-CB 4.05Å; W15-A19 WeakPolarHBondContact O-CB 3.1Å; W15-A19 PolarHBondContact O-N 3.03Å; W15-F21 HydrophobicContact CH2-CE2 4.36Å; W15-F21 HydrophobicContact CZ3-CD2 4.22Å; W15-F21 HydrophobicContact CZ3-CE2 4.42Å; W15-T54 HydrophobicContact CH2-CG2 4.09Å; W15-T54 HydrophobicContact CZ2-CG2 3.8Å; W15-L55 HydrophobicContact CZ3-CD1 4.3Å; W15-R58 HydrophobicContact CD2-CG 4Å; W15-R58 HydrophobicContact CE3-CB 4.21Å; W15-R58 VanDerWaalsContact CE3-CD 3.49Å; W15-R58 HydrophobicContact CE3-CG 3.52Å; W15-R58 HydrophobicContact CZ3-CB 4.37Å; W15-R58 HydrophobicContact CZ3-CG 3.94Å; W15-L570 HydrophobicContact CH2-CD1 3.52Å; W15-L570 HydrophobicContact CZ2-CD1 3.73Å; W15-T573 HydrophobicContact CZ2-CG2 3.96Å; W15-T573 PolarHBondContact NE1-OG1 2.99Å; W15-W589 AromaticContact CD1-CE3 3.76Å; W15-W589 AromaticContact CD1-CZ3 3.86Å; W15-V591 VanDerWaalsContact CA-CG2 3.43Å; W15-V591 HydrophobicContact CB-CG2 3.91Å
16	L	88.1	Confident	85.1	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-57.3	-44.4	-179.4	-79	164.4	0	0	0	111.2	A12 C13 G20 F21 Y24 A25 L55 R58 L59 L62	A12-L16 WeakPolarHBondContact O-CB 3.25Å; A12-L16 VanDerWaalsContact O-CG 3.24Å; A12-L16 WeakPolarHBondContact O-CG 3.35Å; A12-L16 PolarHBondContact O-N 3.4Å; C13-L16 PolarHBondContact O-N 3.46Å; C13-L16 VanDerWaalsContact O-N 3.17Å; L16-G20 PolarHBondContact O-N 2.78Å; L16-F21 HydrophobicContact CB-CB 4.37Å; L16-F21 HydrophobicContact CD2-CB 3.83Å; L16-F21 HydrophobicContact CD2-CD2 4.41Å; L16-F21 HydrophobicContact CD2-CG 4.41Å; L16-F21 CarbonylContact O-C 3.38Å; L16-F21 VanDerWaalsContact O-CA 3.29Å; L16-F21 WeakPolarHBondContact O-CA 3.34Å; L16-F21 WeakPolarHBondContact O-CB 3.41Å; L16-F21 PolarHBondContact O-N 2.96Å; L16-Y24 HydrophobicContact CD2-CD2 4.49Å; L16-A25 HydrophobicContact CB-CB 4.28Å; L16-L55 HydrophobicContact CD2-CD1 3.45Å; L16-L55 VanDerWaalsContact CD2-CD1 3.45Å; L16-R58 HydrophobicContact CD2-CB 4.44Å; L16-R58 HydrophobicContact CG-CB 4.41Å; L16-L59 HydrophobicContact CD1-CD2 4.01Å; L16-L59 HydrophobicContact CD2-CD2 4.04Å; L16-L62 HydrophobicContact CD1-CD1 3.47Å; L16-L62 VanDerWaalsContact CD1-CD1 3.47Å
17	R	85.8	Confident	85.5	Confident	52 Å²	52	24 Å²	24	20%	0.196	12%	0.116	C	C	.	.	H	α-helix	trans	-66.4	-48.6	178.9	-50.5	-165.3	-149.6	168.7	-10.5	112.3	C13 W15 A19 G20 P22 A25 E29 D86 K566	C13-R17 WeakPolarHBondContact O-CG 3.43Å; C13-R17 PolarHBondContact O-N 2.7Å; W15-R17 VanDerWaalsContact C-N 3.3Å; W15-R17 PolarHBondContact O-N 3.01Å; R17-A19 VanDerWaalsContact C-N 3.31Å; R17-A19 PolarHBondContact O-N 3.25Å; R17-G20 PolarHBondContact O-N 3.09Å; R17-G20 VanDerWaalsContact O-N 3.08Å; R17-P22 HydrophobicContact CB-CB 4.49Å; R17-P22 HydrophobicContact CG-CB 4.4Å; R17-A25 HydrophobicContact CG-CB 3.64Å; R17-E29 IonicContact CZ-OE1 3.93Å; R17-E29 IonicContact NE-OE1 2.66Å; R17-E29 IonicContact NH2-OE1 3.15Å; R17-E29 PolarHBondContact NH2-OE1 3.29Å; R17-D86 WeakPolarHBondContact CD-OD1 3.31Å; R17-D86 WeakPolarHBondContact CD-OD2 3.34Å; R17-D86 IonicContact CZ-OD1 3.28Å; R17-D86 IonicContact CZ-OD2 3.1Å; R17-D86 IonicContact NE-OD1 3.73Å; R17-D86 IonicContact NE-OD2 2.72Å; R17-D86 VanDerWaalsContact NH1-CG 3.34Å; R17-D86 IonicContact NH1-OD1 2.62Å; R17-D86 PolarHBondContact NH1-OD1 2.91Å; R17-D86 IonicContact NH1-OD2 2.85Å; R17-D86 PolarHBondContact NH1-OD2 2.85Å; R17-K566 PolarHBondContact O-NZ 3.23Å
18	A	83.6	Confident	85.9	Confident	13 Å²	13	20.3 Å²	20.3	11%	0.107	10%	0.097	C	C	.	.	H	α-helix	trans	-62.9	-35.2	179.4	0	0	0	0	0	112.9	D14 W15 G20 K566 L569 V591	D14-A18 WeakPolarHBondContact O-CB 3.24Å; D14-A18 PolarHBondContact O-N 3.46Å; W15-A18 PolarHBondContact O-N 3.18Å; A18-G20 VanDerWaalsContact C-N 3.27Å; A18-G20 PolarHBondContact O-N 3.15Å; A18-K566 WeakPolarHBondContact O-CG 3.43Å; A18-L569 HydrophobicContact CB-CD2 3.72Å; A18-V591 HydrophobicContact CB-CG1 3.7Å
19	A	86.7	Confident	86	Confident	0 Å²	0	19.3 Å²	19.3	0%	0	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	7.1	176.6	0	0	0	0	0	113.6	W15 R17 F21 I90 L569	W15-A19 HydrophobicContact CD2-CB 3.99Å; W15-A19 HydrophobicContact CE3-CB 4.07Å; W15-A19 HydrophobicContact CH2-CB 3.98Å; W15-A19 HydrophobicContact CZ2-CB 3.86Å; W15-A19 HydrophobicContact CZ3-CB 4.05Å; W15-A19 WeakPolarHBondContact O-CB 3.1Å; W15-A19 PolarHBondContact O-N 3.03Å; R17-A19 VanDerWaalsContact C-N 3.31Å; R17-A19 PolarHBondContact O-N 3.25Å; A19-F21 HydrophobicContact CB-CD2 4.02Å; A19-F21 HydrophobicContact CB-CE2 4.1Å; A19-F21 WeakPolarHBondContact O-CD2 3.43Å; A19-F21 VanDerWaalsContact O-CE2 3.22Å; A19-F21 WeakPolarHBondContact O-CE2 3.5Å; A19-I90 WeakPolarHBondContact O-CD1 3.18Å; A19-L569 HydrophobicContact CB-CD2 4.08Å; A19-L569 HydrophobicContact CB-CG 4.16Å
20	G	86.3	Confident	86.1	Confident	0 Å²	0	21.4 Å²	21.4	0%	0	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.2	26	173	0	0	0	0	0	115.9	L16 R17 A18 A89 I90	L16-G20 PolarHBondContact O-N 2.78Å; R17-G20 PolarHBondContact O-N 3.09Å; R17-G20 VanDerWaalsContact O-N 3.08Å; A18-G20 VanDerWaalsContact C-N 3.27Å; A18-G20 PolarHBondContact O-N 3.15Å; G20-A89 CarbonylContact O-C 3.54Å; G20-A89 VanDerWaalsContact O-CA 3.32Å; G20-A89 WeakPolarHBondContact O-CA 3.39Å; G20-I90 PolarHBondContact O-N 3.29Å
21	F	89.6	Confident	86.2	Confident	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.121	C	C	.	.			trans	-122.3	45.8	174.6	-50.3	-75.6	0	0	0	113.7	W15 L16 A19 Q23 Y24 H44 L47 L55 I90 L570	W15-F21 HydrophobicContact CH2-CE2 4.36Å; W15-F21 HydrophobicContact CZ3-CD2 4.22Å; W15-F21 HydrophobicContact CZ3-CE2 4.42Å; L16-F21 HydrophobicContact CB-CB 4.37Å; L16-F21 HydrophobicContact CD2-CB 3.83Å; L16-F21 HydrophobicContact CD2-CD2 4.41Å; L16-F21 HydrophobicContact CD2-CG 4.41Å; L16-F21 CarbonylContact O-C 3.38Å; L16-F21 VanDerWaalsContact O-CA 3.29Å; L16-F21 WeakPolarHBondContact O-CA 3.34Å; L16-F21 WeakPolarHBondContact O-CB 3.41Å; L16-F21 PolarHBondContact O-N 2.96Å; A19-F21 HydrophobicContact CB-CD2 4.02Å; A19-F21 HydrophobicContact CB-CE2 4.1Å; A19-F21 WeakPolarHBondContact O-CD2 3.43Å; A19-F21 VanDerWaalsContact O-CE2 3.22Å; A19-F21 WeakPolarHBondContact O-CE2 3.5Å; F21-Q23 PolarHBondContact O-N 3.43Å; F21-Q23 VanDerWaalsContact O-N 3.16Å; F21-Y24 HydrophobicContact CB-CD2 3.94Å; F21-Y24 HydrophobicContact CB-CE2 4.45Å; F21-Y24 HydrophobicContact CD1-CE2 4.32Å; F21-Y24 PolarHBondContact O-N 3.25Å; F21-H44 AromaticContact CD1-CE1 3.62Å; F21-H44 AromaticContact CD1-NE2 3.99Å; F21-H44 AromaticContact CE1-CE1 3.58Å; F21-H44 AromaticContact CE1-ND1 3.57Å; F21-L47 HydrophobicContact CE1-CD1 4.4Å; F21-L47 HydrophobicContact CZ-CD1 4.06Å; F21-L55 HydrophobicContact CB-CD1 4.35Å; F21-L55 HydrophobicContact CD1-CD1 4.18Å; F21-L55 HydrophobicContact CD1-CD2 4Å; F21-L55 HydrophobicContact CD2-CD1 3.86Å; F21-L55 HydrophobicContact CE1-CD1 4.47Å; F21-L55 HydrophobicContact CE1-CD2 3.74Å; F21-L55 HydrophobicContact CE2-CD1 4.17Å; F21-L55 HydrophobicContact CG-CD1 3.86Å; F21-L55 HydrophobicContact CZ-CD1 4.46Å; F21-L55 HydrophobicContact CZ-CD2 4.01Å; F21-I90 HydrophobicContact CZ-CD1 4.38Å; F21-L570 HydrophobicContact CE2-CD1 4.06Å; F21-L570 HydrophobicContact CE2-CD2 3.92Å; F21-L570 HydrophobicContact CZ-CD1 4.49Å; F21-L570 HydrophobicContact CZ-CD2 3.67Å
22	P	85.9	Confident	86.2	Confident	4 Å²	4	24.3 Å²	24.3	3%	0.026	13%	0.13	C	C	.	.	H	α-helix	trans	-60.3	-26.3	-175.6	27.9	-36.3	0	0	0	113.8	R17 Y24 A25 Q26 D86 A89 W103	R17-P22 HydrophobicContact CB-CB 4.49Å; R17-P22 HydrophobicContact CG-CB 4.4Å; P22-Y24 VanDerWaalsContact C-N 3.31Å; P22-Y24 PolarHBondContact O-N 3.47Å; P22-A25 PolarHBondContact O-N 3.01Å; P22-Q26 PolarHBondContact O-N 2.88Å; P22-D86 HydrophobicContact CB-CB 4.45Å; P22-D86 VanDerWaalsContact CB-O 3.25Å; P22-D86 WeakPolarHBondContact CB-O 3.4Å; P22-D86 VanDerWaalsContact CG-O 3.25Å; P22-D86 WeakPolarHBondContact CG-O 3.36Å; P22-A89 HydrophobicContact CG-CB 4.38Å; P22-W103 HydrophobicContact CG-CZ2 3.69Å
23	Q	88	Confident	86.3	Confident	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-58.4	-39.4	177.4	68.4	-86.2	48.6	0	0	112.8	F21 Q26 L27 W94 W103	F21-Q23 PolarHBondContact O-N 3.43Å; F21-Q23 VanDerWaalsContact O-N 3.16Å; Q23-Q26 PolarHBondContact O-N 3.47Å; Q23-L27 VanDerWaalsContact O-CG 3.29Å; Q23-L27 WeakPolarHBondContact O-CG 3.4Å; Q23-L27 PolarHBondContact O-N 2.9Å; Q23-W94 HydrophobicContact CB-CD2 4.15Å; Q23-W94 HydrophobicContact CB-CE3 3.83Å; Q23-W94 HydrophobicContact CB-CZ3 4.05Å; Q23-W94 HydrophobicContact CG-CD2 3.73Å; Q23-W94 HydrophobicContact CG-CE3 3.92Å; Q23-W94 HydrophobicContact CG-CG 4.15Å; Q23-W94 HydrophobicContact CG-CH2 4.35Å; Q23-W94 HydrophobicContact CG-CZ2 4.19Å; Q23-W94 HydrophobicContact CG-CZ3 4.23Å; Q23-W103 HydrophobicContact CB-CB 3.54Å; Q23-W103 HydrophobicContact CB-CD2 4.13Å; Q23-W103 HydrophobicContact CB-CG 3.62Å
24	Y	89.4	Confident	86.4	Confident	3 Å²	3	28.7 Å²	28.7	1%	0.012	16%	0.156	C	C	.	.	H	α-helix	trans	-77	-27.2	-179.9	-56.1	-49.9	0	0	0	112.4	L16 F21 P22 L27 F28 F33 I35 V40 D43 H44 L55 L59 W94	L16-Y24 HydrophobicContact CD2-CD2 4.49Å; F21-Y24 HydrophobicContact CB-CD2 3.94Å; F21-Y24 HydrophobicContact CB-CE2 4.45Å; F21-Y24 HydrophobicContact CD1-CE2 4.32Å; F21-Y24 PolarHBondContact O-N 3.25Å; P22-Y24 VanDerWaalsContact C-N 3.31Å; P22-Y24 PolarHBondContact O-N 3.47Å; Y24-L27 HydrophobicContact CD1-CD1 4.05Å; Y24-F28 PolarHBondContact O-N 3.29Å; Y24-F33 WeakPolarHBondContact O-CE2 3.37Å; Y24-I35 HydrophobicContact CD1-CD1 4.11Å; Y24-V40 HydrophobicContact CE1-CG2 4.07Å; Y24-V40 HydrophobicContact CE2-CG1 3.99Å; Y24-D43 PolarHBondContact OH-OD2 2.94Å; Y24-D43 VanDerWaalsContact OH-OD2 3.05Å; Y24-H44 AromaticContact CE2-NE2 3.48Å; Y24-H44 WeakPolarHBondContact CE2-NE2 3.26Å; Y24-H44 AromaticContact CZ-NE2 3.64Å; Y24-H44 PolarHBondContact OH-NE2 2.91Å; Y24-L55 HydrophobicContact CD2-CD1 4.28Å; Y24-L55 HydrophobicContact CE2-CD2 4.4Å; Y24-L59 HydrophobicContact CD2-CD1 4.27Å; Y24-L59 HydrophobicContact CD2-CD2 4.08Å; Y24-L59 HydrophobicContact CG-CD2 3.9Å; Y24-W94 HydrophobicContact CE1-CZ2 4.02Å
25	A	86.5	Confident	86.6	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-69.5	-41.8	170.2	0	0	0	0	0	111.3	C13 L16 R17 P22 F28 E29	C13-A25 HydrophobicContact CB-CB 4.25Å; L16-A25 HydrophobicContact CB-CB 4.28Å; R17-A25 HydrophobicContact CG-CB 3.64Å; P22-A25 PolarHBondContact O-N 3.01Å; A25-F28 PolarHBondContact O-N 3.11Å; A25-E29 PolarHBondContact O-N 2.95Å
26	Q	85.3	Confident	86.6	Confident	39 Å²	39	33 Å²	33	18%	0.182	18%	0.179	C	C	.	.	H	α-helix	trans	-61.7	-46.1	174	178.3	163.2	34.1	0	0	111.7	P22 Q23 F28 E29 D30 R101	P22-Q26 PolarHBondContact O-N 2.88Å; Q23-Q26 PolarHBondContact O-N 3.47Å; Q26-F28 PolarHBondContact O-N 2.82Å; Q26-E29 PolarHBondContact O-N 2.81Å; Q26-E29 VanDerWaalsContact O-N 3.08Å; Q26-D30 WeakPolarHBondContact CG-OD2 3.29Å; Q26-D30 PolarHBondContact O-N 3.05Å; Q26-R101 PolarHBondContact NE2-O 2.69Å
27	L	87.2	Confident	86.6	Confident	30 Å²	30	34 Å²	34	16%	0.157	18%	0.184	C	C	.	.	H	α-helix	trans	-58.4	-34	176.8	-73.6	167.8	0	0	0	112.9	Q23 Y24 S31 Q32 F33 W94	Q23-L27 VanDerWaalsContact O-CG 3.29Å; Q23-L27 WeakPolarHBondContact O-CG 3.4Å; Q23-L27 PolarHBondContact O-N 2.9Å; Y24-L27 HydrophobicContact CD1-CD1 4.05Å; L27-S31 PolarHBondContact O-N 2.72Å; L27-Q32 HydrophobicContact CD2-CB 4.12Å; L27-Q32 HydrophobicContact CD2-CG 4.32Å; L27-Q32 WeakPolarHBondContact O-CB 3.46Å; L27-Q32 PolarHBondContact O-N 2.74Å; L27-F33 HydrophobicContact CB-CD2 4.31Å; L27-F33 HydrophobicContact CB-CE2 3.85Å; L27-W94 HydrophobicContact CD1-CH2 4.07Å
28	F	86.5	Confident	86.6	Confident	17 Å²	17	36.1 Å²	36.1	8%	0.075	20%	0.203	C	C	.	.	H	α-helix	trans	-71.5	-42.6	173.4	-174.7	-96.8	0	0	0	112.2	A9 Y24 A25 Q26 D30 S31 F33 L62 C65 A66 V72	A9-F28 HydrophobicContact CB-CE1 4.15Å; A9-F28 HydrophobicContact CB-CZ 3.96Å; Y24-F28 PolarHBondContact O-N 3.29Å; A25-F28 PolarHBondContact O-N 3.11Å; Q26-F28 PolarHBondContact O-N 2.82Å; F28-D30 VanDerWaalsContact C-N 3.34Å; F28-D30 PolarHBondContact O-N 3.5Å; F28-S31 WeakPolarHBondContact O-CA 3.42Å; F28-S31 PolarHBondContact O-N 3.44Å; F28-F33 HydrophobicContact CB-CD2 3.82Å; F28-F33 HydrophobicContact CB-CE2 3.79Å; F28-F33 HydrophobicContact CB-CG 4.41Å; F28-F33 HydrophobicContact CB-CZ 4.39Å; F28-F33 HydrophobicContact CD2-CB 4.03Å; F28-F33 HydrophobicContact CD2-CD1 4.05Å; F28-F33 HydrophobicContact CD2-CD2 4.06Å; F28-F33 AromaticContact CD2-CG 3.79Å; F28-F33 HydrophobicContact CD2-CG 3.79Å; F28-F33 HydrophobicContact CG-CD2 4.45Å; F28-L62 HydrophobicContact CB-CD1 4.12Å; F28-L62 HydrophobicContact CD1-CD2 4.12Å; F28-L62 HydrophobicContact CD2-CB 3.82Å; F28-L62 HydrophobicContact CD2-CD1 4.25Å; F28-L62 HydrophobicContact CD2-CD2 3.84Å; F28-L62 HydrophobicContact CD2-CG 4.18Å; F28-L62 HydrophobicContact CE1-CD2 4.13Å; F28-L62 HydrophobicContact CE2-CB 4.07Å; F28-L62 HydrophobicContact CE2-CD2 3.85Å; F28-L62 HydrophobicContact CE2-CG 4.49Å; F28-L62 HydrophobicContact CG-CD1 4.18Å; F28-L62 HydrophobicContact CG-CD2 3.97Å; F28-L62 HydrophobicContact CG-CG 4.47Å; F28-L62 HydrophobicContact CZ-CD2 4Å; F28-C65 HydrophobicContact CE2-CB 4.41Å; F28-C65 HydrophobicContact CZ-CB 4.3Å; F28-A66 HydrophobicContact CE2-CB 4.23Å; F28-V72 HydrophobicContact CE1-CB 4.27Å; F28-V72 HydrophobicContact CE1-CG2 3.96Å; F28-V72 HydrophobicContact CZ-CG2 4.01Å
29	E	84.9	Confident	86.7	Confident	50 Å²	50	37.4 Å²	37.4	23%	0.234	21%	0.21	C	C	.	.	H	α-helix	trans	-64.4	-35.1	175.4	-77.3	-179.3	-142.8	0	0	113.3	R17 A25 Q26 S31 L74 K76	R17-E29 IonicContact CZ-OE1 3.93Å; R17-E29 IonicContact NE-OE1 2.66Å; R17-E29 IonicContact NH2-OE1 3.15Å; R17-E29 PolarHBondContact NH2-OE1 3.29Å; A25-E29 PolarHBondContact O-N 2.95Å; Q26-E29 PolarHBondContact O-N 2.81Å; Q26-E29 VanDerWaalsContact O-N 3.08Å; E29-S31 PolarHBondContact O-N 3.49Å; E29-L74 HydrophobicContact CG-CD1 3.66Å; E29-K76 WeakPolarHBondContact OE2-CE 3.25Å
30	D	85	Confident	86.6	Confident	44 Å²	44	37.5 Å²	37.5	24%	0.235	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	8.2	171.9	-71.6	-57.6	0	0	0	113.2	Q26 F28 Q32 R102	Q26-D30 WeakPolarHBondContact CG-OD2 3.29Å; Q26-D30 PolarHBondContact O-N 3.05Å; F28-D30 VanDerWaalsContact C-N 3.34Å; F28-D30 PolarHBondContact O-N 3.5Å; D30-Q32 VanDerWaalsContact C-N 3.25Å; D30-Q32 HydrophobicContact CB-CG 4.02Å; D30-Q32 PolarHBondContact O-N 3.15Å; D30-R102 VanDerWaalsContact CG-NH1 3.27Å; D30-R102 IonicContact OD1-CZ 3.82Å; D30-R102 IonicContact OD1-NH1 3.44Å; D30-R102 PolarHBondContact OD1-NH1 2.87Å; D30-R102 IonicContact OD1-NH2 3.26Å; D30-R102 PolarHBondContact OD1-NH2 3.45Å; D30-R102 IonicContact OD2-CZ 3.85Å; D30-R102 IonicContact OD2-NH1 2.71Å; D30-R102 PolarHBondContact OD2-NH1 2.83Å; D30-R102 IonicContact OD2-NH2 4Å
31	S	85.3	Confident	86.5	Confident	104 Å²	104	43.4 Å²	43.4	73%	0.727	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.8	25.8	175.6	-50.3	0	0	0	0	114.9	L27 F28 E29 F33	L27-S31 PolarHBondContact O-N 2.72Å; F28-S31 WeakPolarHBondContact O-CA 3.42Å; F28-S31 PolarHBondContact O-N 3.44Å; E29-S31 PolarHBondContact O-N 3.49Å; S31-F33 PolarHBondContact O-N 2.88Å
32	Q	84.7	Confident	86.2	Confident	105 Å²	105	51.9 Å²	51.9	49%	0.491	27%	0.268	S	S	.	.			trans	-88.1	20.5	-179	-52	-172	32	0	0	113.2	L27 D30 I35	L27-Q32 HydrophobicContact CD2-CB 4.12Å; L27-Q32 HydrophobicContact CD2-CG 4.32Å; L27-Q32 WeakPolarHBondContact O-CB 3.46Å; L27-Q32 PolarHBondContact O-N 2.74Å; D30-Q32 VanDerWaalsContact C-N 3.25Å; D30-Q32 HydrophobicContact CB-CG 4.02Å; D30-Q32 PolarHBondContact O-N 3.15Å; Q32-I35 WeakPolarHBondContact O-CG2 3.14Å
33	F	87.4	Confident	86.1	Confident	21 Å²	21	52.4 Å²	52.4	9%	0.092	27%	0.271	C	S	.	.			trans	-104.2	150.7	177.4	-90.8	-115.3	0	0	0	111.1	Y24 L27 F28 S31 I35 L59 L62 N63 A66	Y24-F33 WeakPolarHBondContact O-CE2 3.37Å; L27-F33 HydrophobicContact CB-CD2 4.31Å; L27-F33 HydrophobicContact CB-CE2 3.85Å; F28-F33 HydrophobicContact CB-CD2 3.82Å; F28-F33 HydrophobicContact CB-CE2 3.79Å; F28-F33 HydrophobicContact CB-CG 4.41Å; F28-F33 HydrophobicContact CB-CZ 4.39Å; F28-F33 HydrophobicContact CD2-CB 4.03Å; F28-F33 HydrophobicContact CD2-CD1 4.05Å; F28-F33 HydrophobicContact CD2-CD2 4.06Å; F28-F33 AromaticContact CD2-CG 3.79Å; F28-F33 HydrophobicContact CD2-CG 3.79Å; F28-F33 HydrophobicContact CG-CD2 4.45Å; S31-F33 PolarHBondContact O-N 2.88Å; F33-I35 HydrophobicContact CD1-CG1 4.3Å; F33-I35 HydrophobicContact CD2-CG2 3.9Å; F33-I35 HydrophobicContact CE1-CD1 4.02Å; F33-I35 HydrophobicContact CE1-CG1 3.8Å; F33-I35 HydrophobicContact CE2-CD1 4.14Å; F33-I35 HydrophobicContact CE2-CG1 4.39Å; F33-I35 HydrophobicContact CE2-CG2 3.97Å; F33-I35 HydrophobicContact CG-CG2 4.2Å; F33-I35 HydrophobicContact CZ-CD1 3.6Å; F33-I35 HydrophobicContact CZ-CG1 3.87Å; F33-I35 HydrophobicContact CZ-CG2 4.31Å; F33-L59 HydrophobicContact CZ-CD2 4.24Å; F33-L62 HydrophobicContact CD1-CB 3.75Å; F33-L62 HydrophobicContact CE1-CB 3.42Å; F33-L62 VanDerWaalsContact CE1-CB 3.42Å; F33-L62 HydrophobicContact CE1-CD1 4.11Å; F33-L62 HydrophobicContact CE1-CG 4.43Å; F33-L62 HydrophobicContact CZ-CB 4.17Å; F33-L62 HydrophobicContact CZ-CD1 4.01Å; F33-N63 WeakPolarHBondContact CD1-OD1 3.26Å; F33-N63 WeakPolarHBondContact CE1-OD1 3.36Å; F33-A66 HydrophobicContact CB-CB 3.59Å
34	P	86	Confident	86	Confident	82 Å²	82	52.4 Å²	52.4	53%	0.532	27%	0.271	S	S	.	.	S	Bend	cis	-78.6	147.5	7.4	32.1	-36.3	0	0	0	114	N63	P34-N63 WeakPolarHBondContact CA-OD1 3.42Å; P34-N63 HydrophobicContact CB-CB 4Å; P34-N63 WeakPolarHBondContact CB-OD1 3.47Å
35	I	89.5	Confident	85.6	Confident	34 Å²	34	57.4 Å²	57.4	17%	0.174	30%	0.298	C	S	.	.			trans	-105.3	153.3	175.8	65.3	173.2	0	0	0	111.6	Y24 Q32 F33 V40 L59 N63	Y24-I35 HydrophobicContact CD1-CD1 4.11Å; Q32-I35 WeakPolarHBondContact O-CG2 3.14Å; F33-I35 HydrophobicContact CD1-CG1 4.3Å; F33-I35 HydrophobicContact CD2-CG2 3.9Å; F33-I35 HydrophobicContact CE1-CD1 4.02Å; F33-I35 HydrophobicContact CE1-CG1 3.8Å; F33-I35 HydrophobicContact CE2-CD1 4.14Å; F33-I35 HydrophobicContact CE2-CG1 4.39Å; F33-I35 HydrophobicContact CE2-CG2 3.97Å; F33-I35 HydrophobicContact CG-CG2 4.2Å; F33-I35 HydrophobicContact CZ-CD1 3.6Å; F33-I35 HydrophobicContact CZ-CG1 3.87Å; F33-I35 HydrophobicContact CZ-CG2 4.31Å; I35-V40 HydrophobicContact CD1-CG2 4.49Å; I35-L59 HydrophobicContact CD1-CD2 4.44Å; I35-N63 PolarHBondContact N-OD1 3.14Å; I35-N63 PolarHBondContact O-ND2 3.02Å
36	D	86.8	Confident	85.4	Confident	96 Å²	96	60.1 Å²	60.1	51%	0.513	31%	0.309	S	S	.	.			trans	-72.9	135.8	164.9	-176.3	20.7	0	0	0	110.7	T38 P39	D36-T38 WeakPolarHBondContact OD1-CG2 3.49Å; D36-T38 PolarHBondContact OD1-N 2.81Å; D36-T38 PolarHBondContact OD2-OG1 3.13Å; D36-P39 HydrophobicContact CB-CG 4.46Å; D36-P39 WeakPolarHBondContact OD2-CD 3.25Å
37	I	88.9	Confident	85.4	Confident	20 Å²	20	59 Å²	59	10%	0.103	30%	0.304	C	S	.	.	S	Bend	trans	-95.6	-14.2	-179	-58.9	176.1	0	0	0	110.8	V40 K41 C56 L59 N60	I37-V40 WeakPolarHBondContact O-CB 3.24Å; I37-V40 PolarHBondContact O-N 2.7Å; I37-K41 PolarHBondContact O-N 2.93Å; I37-C56 HydrophobicContact CG2-CB 4.11Å; I37-C56 WeakPolarHBondContact CG2-SG 3.26Å; I37-L59 HydrophobicContact CD1-CB 3.91Å; I37-L59 HydrophobicContact CG1-CB 4.25Å; I37-N60 WeakPolarHBondContact CD1-ND2 3.49Å
38	T	86	Confident	85.3	Confident	97 Å²	97	61 Å²	61	60%	0.595	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-43.6	174.7	80.3	0	0	0	0	114.4	D36 V40 K41	D36-T38 WeakPolarHBondContact OD1-CG2 3.49Å; D36-T38 PolarHBondContact OD1-N 2.81Å; D36-T38 PolarHBondContact OD2-OG1 3.13Å; T38-V40 VanDerWaalsContact C-N 3.31Å; T38-V40 PolarHBondContact O-N 2.81Å; T38-K41 PolarHBondContact O-N 2.9Å
39	P	83.9	Confident	85.4	Confident	39 Å²	39	68 Å²	68	25%	0.253	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-29.3	174.5	27.7	-36.3	0	0	0	112.4	D36 K41 R42 D43	D36-P39 HydrophobicContact CB-CG 4.46Å; D36-P39 WeakPolarHBondContact OD2-CD 3.25Å; P39-K41 PolarHBondContact O-N 3.17Å; P39-R42 CarbonylContact O-C 3.54Å; P39-R42 WeakPolarHBondContact O-CA 3.33Å; P39-R42 WeakPolarHBondContact O-CB 3.29Å; P39-R42 PolarHBondContact O-N 2.74Å; P39-D43 PolarHBondContact O-N 3.05Å
40	V	85.4	Confident	85.4	Confident	2 Å²	2	68.5 Å²	68.5	1%	0.012	35%	0.35	C	S	.	.	H	α-helix	trans	-59.4	-36.5	177.5	179.8	0	0	0	0	111.2	Y24 I35 I37 T38 R42 D43 H44 L55 L59	Y24-V40 HydrophobicContact CE1-CG2 4.07Å; Y24-V40 HydrophobicContact CE2-CG1 3.99Å; I35-V40 HydrophobicContact CD1-CG2 4.49Å; I37-V40 WeakPolarHBondContact O-CB 3.24Å; I37-V40 PolarHBondContact O-N 2.7Å; T38-V40 VanDerWaalsContact C-N 3.31Å; T38-V40 PolarHBondContact O-N 2.81Å; V40-R42 PolarHBondContact O-N 3.21Å; V40-D43 PolarHBondContact O-N 2.88Å; V40-H44 PolarHBondContact O-CD2 3.29Å; V40-H44 VanDerWaalsContact O-CD2 3.28Å; V40-H44 PolarHBondContact O-N 2.88Å; V40-L55 HydrophobicContact CG1-CD2 3.78Å; V40-L55 HydrophobicContact CG1-CG 4.42Å; V40-L59 HydrophobicContact CB-CD1 4.35Å; V40-L59 HydrophobicContact CG1-CD1 3.76Å; V40-L59 HydrophobicContact CG2-CD1 4.04Å
41	K	84.8	Confident	85.6	Confident	124 Å²	124	66.7 Å²	66.7	54%	0.539	34%	0.34	S	S	.	.	H	α-helix	trans	-67.7	-19.1	175.1	-62.2	-173	178.2	-177	0	113.9	I37 T38 P39 V52	I37-K41 PolarHBondContact O-N 2.93Å; T38-K41 PolarHBondContact O-N 2.9Å; P39-K41 PolarHBondContact O-N 3.17Å; K41-V52 HydrophobicContact CB-CG1 4.5Å; K41-V52 HydrophobicContact CG-CG1 3.93Å
42	R	83.4	Confident	85.8	Confident	179 Å²	179	62.5 Å²	62.5	68%	0.675	31%	0.31	S	S	*	.	H	α-helix	trans	-91.3	-27.9	171.2	-71.8	171.9	47.6	78.7	5.3	112.6	P39 V40 H44 K93	P39-R42 CarbonylContact O-C 3.54Å; P39-R42 WeakPolarHBondContact O-CA 3.33Å; P39-R42 WeakPolarHBondContact O-CB 3.29Å; P39-R42 PolarHBondContact O-N 2.74Å; V40-R42 PolarHBondContact O-N 3.21Å; R42-H44 VanDerWaalsContact C-N 3.26Å; R42-H44 PolarHBondContact O-N 3.19Å; R42-K93 PolarHBondContact O-NZ 2.85Å
43	D	83.2	Confident	86	Confident	15 Å²	15	62 Å²	62	8%	0.08	31%	0.308	C	S	.	.	H	α-helix	trans	-65.2	-33.9	174	-72	0.7	0	0	0	110.8	Y24 P39 V40 S91 K93 W94 R105	Y24-D43 PolarHBondContact OH-OD2 2.94Å; Y24-D43 VanDerWaalsContact OH-OD2 3.05Å; P39-D43 PolarHBondContact O-N 3.05Å; V40-D43 PolarHBondContact O-N 2.88Å; D43-S91 PolarHBondContact O-OG 3.01Å; D43-K93 WeakPolarHBondContact O-CD 3.42Å; D43-K93 PolarHBondContact O-NZ 2.82Å; D43-W94 PolarHBondContact OD2-NE1 2.91Å; D43-R105 IonicContact OD1-NE 3.2Å; D43-R105 IonicContact OD1-NH2 2.87Å; D43-R105 PolarHBondContact OD1-NH2 3.11Å; D43-R105 IonicContact OD2-CZ 3.31Å; D43-R105 IonicContact OD2-NE 3.21Å; D43-R105 IonicContact OD2-NH2 3.85Å; D43-R105 PolarHBondContact OD2-NH2 2.97Å
44	H	86.2	Confident	86.1	Confident	0 Å²	0	61 Å²	61	0%	0	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122.3	45.5	-175.4	-49.1	-80.2	0	0	0	113.5	F21 Y24 V40 R42 F46 L47 S91	F21-H44 AromaticContact CD1-CE1 3.62Å; F21-H44 AromaticContact CD1-NE2 3.99Å; F21-H44 AromaticContact CE1-CE1 3.58Å; F21-H44 AromaticContact CE1-ND1 3.57Å; Y24-H44 AromaticContact CE2-NE2 3.48Å; Y24-H44 WeakPolarHBondContact CE2-NE2 3.26Å; Y24-H44 AromaticContact CZ-NE2 3.64Å; Y24-H44 PolarHBondContact OH-NE2 2.91Å; V40-H44 PolarHBondContact O-CD2 3.29Å; V40-H44 VanDerWaalsContact O-CD2 3.28Å; V40-H44 PolarHBondContact O-N 2.88Å; R42-H44 VanDerWaalsContact C-N 3.26Å; R42-H44 PolarHBondContact O-N 3.19Å; H44-F46 VanDerWaalsContact C-N 3.25Å; H44-F46 HydrophobicContact CB-CE1 4.32Å; H44-F46 HydrophobicContact CB-CZ 4.24Å; H44-F46 AromaticContact ND1-CZ 3.81Å; H44-F46 PolarHBondContact O-N 3.34Å; H44-L47 HydrophobicContact CB-CD1 3.79Å; H44-L47 HydrophobicContact CB-CG 4.19Å; H44-L47 PolarHBondContact O-N 3.17Å; H44-S91 WeakPolarHBondContact CE1-CB 3.46Å; H44-S91 WeakPolarHBondContact ND1-CB 3.14Å
45	D	81.3	Confident	86.3	Confident	108 Å²	108	57.1 Å²	57.1	58%	0.578	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-13.6	179.4	51.8	-2.5	0	0	0	114.9	L47 K93	D45-L47 VanDerWaalsContact C-N 3.33Å; D45-K93 IonicContact OD1-NZ 3.64Å; D45-K93 PolarHBondContact OD1-NZ 2.82Å; D45-K93 IonicContact OD2-NZ 2.67Å
46	F	82.4	Confident	86.3	Confident	57 Å²	57	56 Å²	56	25%	0.25	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-5.9	172.4	58.6	-93.9	0	0	0	114.2	H44 I90 F567 Q826	H44-F46 VanDerWaalsContact C-N 3.25Å; H44-F46 HydrophobicContact CB-CE1 4.32Å; H44-F46 HydrophobicContact CB-CZ 4.24Å; H44-F46 AromaticContact ND1-CZ 3.81Å; H44-F46 PolarHBondContact O-N 3.34Å; F46-I90 HydrophobicContact CE2-CG2 3.55Å; F46-I90 HydrophobicContact CZ-CG2 3.73Å; F46-F567 HydrophobicContact CE2-CZ 4.18Å; F46-Q826 WeakPolarHBondContact CD2-O 3.25Å
47	L	85.1	Confident	86.4	Confident	14 Å²	14	55.1 Å²	55.1	7%	0.073	27%	0.265	C	S	.	.	S	Bend	trans	-94.8	145.9	179.5	-67.7	-177.4	0	0	0	112.1	F21 H44 D45 L51 V52 F567 L570	F21-L47 HydrophobicContact CE1-CD1 4.4Å; F21-L47 HydrophobicContact CZ-CD1 4.06Å; H44-L47 HydrophobicContact CB-CD1 3.79Å; H44-L47 HydrophobicContact CB-CG 4.19Å; H44-L47 PolarHBondContact O-N 3.17Å; D45-L47 VanDerWaalsContact C-N 3.33Å; L47-L51 HydrophobicContact CB-CB 4.27Å; L47-L51 HydrophobicContact CB-CD1 4.49Å; L47-L51 HydrophobicContact CD2-CD1 4.12Å; L47-V52 HydrophobicContact CB-CG2 3.59Å; L47-V52 HydrophobicContact CD1-CG2 4.35Å; L47-F567 HydrophobicContact CD2-CD1 4.34Å; L47-F567 HydrophobicContact CD2-CE1 3.56Å; L47-F567 HydrophobicContact CD2-CZ 4.25Å; L47-L570 HydrophobicContact CD1-CD2 3.79Å; L47-L570 HydrophobicContact CD2-CD2 4.16Å
48	D	85.4	Confident	86.5	Confident	72 Å²	72	55.6 Å²	55.6	39%	0.385	27%	0.266	S	S	.	.			trans	-59.7	148.9	171.2	-52.1	-40.8	0	0	0	111.6	D50 L51 V52 Q826	D48-D50 PolarHBondContact O-N 3.27Å; D48-D50 VanDerWaalsContact O-N 3.08Å; D48-L51 HydrophobicContact CB-CD1 4.19Å; D48-L51 HydrophobicContact CB-CG 4.1Å; D48-L51 WeakPolarHBondContact O-CA 3.32Å; D48-L51 WeakPolarHBondContact O-CB 3.31Å; D48-L51 PolarHBondContact O-N 2.9Å; D48-V52 PolarHBondContact O-N 2.75Å; D48-Q826 PolarHBondContact OD1-NE2 2.92Å; D48-Q826 PolarHBondContact OD2-NE2 3.48Å
49	K	86.9	Confident	86.7	Confident	164 Å²	164	51 Å²	51	71%	0.713	24%	0.237	S	C	*	.	H	α-helix	trans	-46.3	-43.2	179	-176.8	-174.7	173.7	-170.4	0	113.6	V52 E53	K49-V52 PolarHBondContact O-N 3.22Å; K49-E53 WeakPolarHBondContact O-CB 3.18Å; K49-E53 PolarHBondContact O-N 2.7Å
50	D	86.6	Confident	87	Confident	61 Å²	61	53.3 Å²	53.3	33%	0.326	25%	0.248	S	C	.	.	H	α-helix	trans	-69.6	-34	-177.7	-68.1	9.9	0	0	0	112.1	D48 T54 K578	D48-D50 PolarHBondContact O-N 3.27Å; D48-D50 VanDerWaalsContact O-N 3.08Å; D50-T54 WeakPolarHBondContact O-CB 3.37Å; D50-T54 PolarHBondContact O-N 2.97Å; D50-T54 PolarHBondContact O-OG1 2.87Å; D50-K578 WeakPolarHBondContact OD2-CD 3.4Å; D50-K578 WeakPolarHBondContact OD2-CE 3.46Å; D50-K578 IonicContact OD2-NZ 2.79Å; D50-K578 PolarHBondContact OD2-NZ 2.94Å
51	L	88.9	Confident	87.1	Confident	6 Å²	6	55.5 Å²	55.5	3%	0.031	26%	0.261	C	S	.	.	H	α-helix	trans	-69.9	-44.8	175	-51.4	179.9	0	0	0	110.3	L47 D48 T54 L55 L570 R571 A574	L47-L51 HydrophobicContact CB-CB 4.27Å; L47-L51 HydrophobicContact CB-CD1 4.49Å; L47-L51 HydrophobicContact CD2-CD1 4.12Å; D48-L51 HydrophobicContact CB-CD1 4.19Å; D48-L51 HydrophobicContact CB-CG 4.1Å; D48-L51 WeakPolarHBondContact O-CA 3.32Å; D48-L51 WeakPolarHBondContact O-CB 3.31Å; D48-L51 PolarHBondContact O-N 2.9Å; L51-T54 WeakPolarHBondContact O-CB 3.38Å; L51-T54 PolarHBondContact O-N 3.25Å; L51-L55 PolarHBondContact O-N 3.27Å; L51-L570 HydrophobicContact CB-CD1 4.47Å; L51-L570 HydrophobicContact CB-CD2 4.01Å; L51-L570 HydrophobicContact CB-CG 3.99Å; L51-L570 HydrophobicContact CD2-CG 4.2Å; L51-R571 HydrophobicContact CD2-CB 4.21Å; L51-R571 HydrophobicContact CD2-CG 4.49Å; L51-A574 HydrophobicContact CD2-CB 3.79Å
52	V	89.4	Confident	87.3	Confident	17 Å²	17	49.6 Å²	49.6	10%	0.103	24%	0.236	C	C	.	.	H	α-helix	trans	-63.4	-41.5	175.8	-179.4	0	0	0	0	111.2	K41 L47 D48 K49 T54 L55 C56	K41-V52 HydrophobicContact CB-CG1 4.5Å; K41-V52 HydrophobicContact CG-CG1 3.93Å; L47-V52 HydrophobicContact CB-CG2 3.59Å; L47-V52 HydrophobicContact CD1-CG2 4.35Å; D48-V52 PolarHBondContact O-N 2.75Å; K49-V52 PolarHBondContact O-N 3.22Å; V52-T54 VanDerWaalsContact C-N 3.32Å; V52-T54 PolarHBondContact O-N 3.03Å; V52-L55 WeakPolarHBondContact O-CB 3.43Å; V52-L55 PolarHBondContact O-N 3.41Å; V52-C56 WeakPolarHBondContact O-CB 3.49Å; V52-C56 PolarHBondContact O-N 2.8Å; V52-C56 PolarHBondContact O-SG 3.43Å
53	E	89.3	Confident	87.6	Confident	93 Å²	93	42.2 Å²	42.2	44%	0.435	21%	0.209	S	C	.	.	H	α-helix	trans	-62.9	-40.3	175.4	-164.1	-169.8	107.5	0	0	111.5	K49 L55 C56 K57	K49-E53 WeakPolarHBondContact O-CB 3.18Å; K49-E53 PolarHBondContact O-N 2.7Å; E53-L55 PolarHBondContact O-N 3.01Å; E53-C56 PolarHBondContact O-N 2.94Å; E53-K57 WeakPolarHBondContact O-CG 3.48Å; E53-K57 PolarHBondContact O-N 3.16Å; E53-K57 WeakPolarHBondContact OE1-CE 3.19Å; E53-K57 IonicContact OE1-NZ 3.58Å; E53-K57 PolarHBondContact OE1-NZ 2.93Å
54	T	88.4	Confident	87.9	Confident	2 Å²	2	47.3 Å²	47.3	1%	0.012	23%	0.231	C	C	.	.	H	α-helix	trans	-59.7	-43.8	175.7	-59.4	0	0	0	0	111.5	W15 D50 L51 V52 R58 L570 T573 A574	W15-T54 HydrophobicContact CH2-CG2 4.09Å; W15-T54 HydrophobicContact CZ2-CG2 3.8Å; D50-T54 WeakPolarHBondContact O-CB 3.37Å; D50-T54 PolarHBondContact O-N 2.97Å; D50-T54 PolarHBondContact O-OG1 2.87Å; L51-T54 WeakPolarHBondContact O-CB 3.38Å; L51-T54 PolarHBondContact O-N 3.25Å; V52-T54 VanDerWaalsContact C-N 3.32Å; V52-T54 PolarHBondContact O-N 3.03Å; T54-R58 WeakPolarHBondContact O-CD 3.33Å; T54-R58 PolarHBondContact O-NH1 2.9Å; T54-L570 HydrophobicContact CG2-CD1 4.36Å; T54-T573 HydrophobicContact CG2-CG2 3.54Å; T54-A574 HydrophobicContact CG2-CB 4.45Å; T54-A574 WeakPolarHBondContact OG1-CA 3.19Å; T54-A574 VanDerWaalsContact OG1-CB 3.27Å; T54-A574 WeakPolarHBondContact OG1-CB 3.38Å
55	L	90.1	Very high	87.8	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-61.3	-51.2	170.4	170.6	61.8	0	0	0	111.8	W15 L16 F21 Y24 V40 L51 V52 E53 K57 R58 L59	W15-L55 HydrophobicContact CZ3-CD1 4.3Å; L16-L55 HydrophobicContact CD2-CD1 3.45Å; L16-L55 VanDerWaalsContact CD2-CD1 3.45Å; F21-L55 HydrophobicContact CB-CD1 4.35Å; F21-L55 HydrophobicContact CD1-CD1 4.18Å; F21-L55 HydrophobicContact CD1-CD2 4Å; F21-L55 HydrophobicContact CD2-CD1 3.86Å; F21-L55 HydrophobicContact CE1-CD1 4.47Å; F21-L55 HydrophobicContact CE1-CD2 3.74Å; F21-L55 HydrophobicContact CE2-CD1 4.17Å; F21-L55 HydrophobicContact CG-CD1 3.86Å; F21-L55 HydrophobicContact CZ-CD1 4.46Å; F21-L55 HydrophobicContact CZ-CD2 4.01Å; Y24-L55 HydrophobicContact CD2-CD1 4.28Å; Y24-L55 HydrophobicContact CE2-CD2 4.4Å; V40-L55 HydrophobicContact CG1-CD2 3.78Å; V40-L55 HydrophobicContact CG1-CG 4.42Å; L51-L55 PolarHBondContact O-N 3.27Å; V52-L55 WeakPolarHBondContact O-CB 3.43Å; V52-L55 PolarHBondContact O-N 3.41Å; E53-L55 PolarHBondContact O-N 3.01Å; L55-K57 PolarHBondContact O-N 3.49Å; L55-R58 PolarHBondContact O-N 2.95Å; L55-L59 HydrophobicContact CD1-CD1 4.08Å; L55-L59 HydrophobicContact CD1-CG 4.16Å; L55-L59 HydrophobicContact CG-CD1 4.11Å; L55-L59 PolarHBondContact O-N 2.83Å
56	C	90.3	Very high	88	Confident	10 Å²	10	43.3 Å²	43.3	7%	0.068	21%	0.213	C	C	.	.	H	α-helix	trans	-56.6	-33.8	-179.7	-70.2	0	0	0	0	112.7	I37 V52 E53 L59 N60	I37-C56 HydrophobicContact CG2-CB 4.11Å; I37-C56 WeakPolarHBondContact CG2-SG 3.26Å; V52-C56 WeakPolarHBondContact O-CB 3.49Å; V52-C56 PolarHBondContact O-N 2.8Å; V52-C56 PolarHBondContact O-SG 3.43Å; E53-C56 PolarHBondContact O-N 2.94Å; C56-L59 PolarHBondContact O-N 3.11Å; C56-N60 WeakPolarHBondContact O-CB 3.43Å; C56-N60 PolarHBondContact O-N 2.91Å; C56-N60 PolarHBondContact O-ND2 2.82Å
57	K	89.4	Confident	87.9	Confident	77 Å²	77	44.8 Å²	44.8	34%	0.335	23%	0.23	S	C	.	.	H	α-helix	trans	-60.2	-43.8	175	-74.1	163.6	-173.8	159	0	112.1	E53 L55 N60 T61 E577	E53-K57 WeakPolarHBondContact O-CG 3.48Å; E53-K57 PolarHBondContact O-N 3.16Å; E53-K57 WeakPolarHBondContact OE1-CE 3.19Å; E53-K57 IonicContact OE1-NZ 3.58Å; E53-K57 PolarHBondContact OE1-NZ 2.93Å; L55-K57 PolarHBondContact O-N 3.49Å; K57-N60 PolarHBondContact O-N 3.39Å; K57-T61 PolarHBondContact O-N 3.31Å; K57-T61 VanDerWaalsContact O-N 3.11Å; K57-T61 PolarHBondContact O-OG1 2.73Å; K57-E577 VanDerWaalsContact CD-OE2 3.24Å; K57-E577 WeakPolarHBondContact CD-OE2 3.37Å; K57-E577 IonicContact NZ-OE2 2.7Å
58	R	89.9	Confident	87.6	Confident	30 Å²	30	47 Å²	47	11%	0.113	24%	0.241	C	C	.	.	H	α-helix	trans	-67.6	-42.3	178.9	-75.3	81.5	-174.4	131.6	16.8	111.4	A12 W15 L16 T54 L55 N60 T61 L62 T573 E577	A12-R58 HydrophobicContact CB-CB 4.27Å; A12-R58 HydrophobicContact CB-CG 4.36Å; W15-R58 HydrophobicContact CD2-CG 4Å; W15-R58 HydrophobicContact CE3-CB 4.21Å; W15-R58 VanDerWaalsContact CE3-CD 3.49Å; W15-R58 HydrophobicContact CE3-CG 3.52Å; W15-R58 HydrophobicContact CZ3-CB 4.37Å; W15-R58 HydrophobicContact CZ3-CG 3.94Å; L16-R58 HydrophobicContact CD2-CB 4.44Å; L16-R58 HydrophobicContact CG-CB 4.41Å; T54-R58 WeakPolarHBondContact O-CD 3.33Å; T54-R58 PolarHBondContact O-NH1 2.9Å; L55-R58 PolarHBondContact O-N 2.95Å; R58-N60 VanDerWaalsContact C-N 3.33Å; R58-N60 PolarHBondContact O-N 2.74Å; R58-T61 WeakPolarHBondContact O-CB 3.48Å; R58-T61 PolarHBondContact O-N 3.06Å; R58-T61 VanDerWaalsContact O-N 3.16Å; R58-L62 PolarHBondContact O-N 2.85Å; R58-T573 VanDerWaalsContact NH2-CG2 3.32Å; R58-E577 IonicContact CZ-OE1 2.85Å; R58-E577 IonicContact CZ-OE2 3.89Å; R58-E577 IonicContact NH1-OE1 2.81Å; R58-E577 PolarHBondContact NH1-OE1 3.33Å; R58-E577 IonicContact NH1-OE2 2.65Å; R58-E577 PolarHBondContact NH1-OE2 2.83Å; R58-E577 IonicContact NH2-OE1 2.73Å; R58-E577 PolarHBondContact NH2-OE1 3.08Å; R58-E577 IonicContact NH2-OE2 3.94Å
59	L	90.8	Very high	86.8	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-64.8	-36.2	177.8	-59.5	179.7	0	0	0	112.2	L16 Y24 F33 I35 I37 V40 L55 C56 L62 N63	L16-L59 HydrophobicContact CD1-CD2 4.01Å; L16-L59 HydrophobicContact CD2-CD2 4.04Å; Y24-L59 HydrophobicContact CD2-CD1 4.27Å; Y24-L59 HydrophobicContact CD2-CD2 4.08Å; Y24-L59 HydrophobicContact CG-CD2 3.9Å; F33-L59 HydrophobicContact CZ-CD2 4.24Å; I35-L59 HydrophobicContact CD1-CD2 4.44Å; I37-L59 HydrophobicContact CD1-CB 3.91Å; I37-L59 HydrophobicContact CG1-CB 4.25Å; V40-L59 HydrophobicContact CB-CD1 4.35Å; V40-L59 HydrophobicContact CG1-CD1 3.76Å; V40-L59 HydrophobicContact CG2-CD1 4.04Å; L55-L59 HydrophobicContact CD1-CD1 4.08Å; L55-L59 HydrophobicContact CD1-CG 4.16Å; L55-L59 HydrophobicContact CG-CD1 4.11Å; L55-L59 PolarHBondContact O-N 2.83Å; C56-L59 PolarHBondContact O-N 3.11Å; L59-L62 PolarHBondContact O-N 2.87Å; L59-N63 WeakPolarHBondContact O-CB 3.34Å; L59-N63 PolarHBondContact O-N 2.96Å
60	N	90.1	Very high	85.6	Confident	88 Å²	88	45.7 Å²	45.7	47%	0.471	23%	0.233	S	C	.	.	H	α-helix	trans	-64.9	-39.7	171.5	-82	-68	0	0	0	112.6	I37 C56 K57 R58 L62 N63 K64	I37-N60 WeakPolarHBondContact CD1-ND2 3.49Å; C56-N60 WeakPolarHBondContact O-CB 3.43Å; C56-N60 PolarHBondContact O-N 2.91Å; C56-N60 PolarHBondContact O-ND2 2.82Å; K57-N60 PolarHBondContact O-N 3.39Å; R58-N60 VanDerWaalsContact C-N 3.33Å; R58-N60 PolarHBondContact O-N 2.74Å; N60-L62 VanDerWaalsContact C-N 3.34Å; N60-N63 PolarHBondContact O-N 2.81Å; N60-K64 WeakPolarHBondContact O-CB 3.26Å; N60-K64 PolarHBondContact O-N 3.49Å
61	T	87.4	Confident	84.1	Confident	49 Å²	49	49 Å²	49	30%	0.301	25%	0.25	S	S	.	.	H	α-helix	trans	-60	-43.8	172.4	-63.3	0	0	0	0	111.4	E8 K57 R58 K64 C65	E8-T61 HydrophobicContact CB-CG2 3.99Å; K57-T61 PolarHBondContact O-N 3.31Å; K57-T61 VanDerWaalsContact O-N 3.11Å; K57-T61 PolarHBondContact O-OG1 2.73Å; R58-T61 WeakPolarHBondContact O-CB 3.48Å; R58-T61 PolarHBondContact O-N 3.06Å; R58-T61 VanDerWaalsContact O-N 3.16Å; T61-K64 PolarHBondContact O-N 2.84Å; T61-C65 WeakPolarHBondContact O-CB 3.5Å; T61-C65 PolarHBondContact O-N 3.06Å; T61-C65 PolarHBondContact O-SG 2.67Å
62	L	88.3	Confident	82.5	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-66.6	-44.2	176.3	-68.3	-176.2	0	0	0	112.8	A9 A12 L16 F28 F33 R58 L59 N60 K64 C65 A66	A9-L62 HydrophobicContact CB-CD2 4.03Å; A9-L62 WeakPolarHBondContact O-CD2 3.47Å; A12-L62 HydrophobicContact CB-CD2 3.89Å; A12-L62 HydrophobicContact CB-CG 4.03Å; L16-L62 HydrophobicContact CD1-CD1 3.47Å; L16-L62 VanDerWaalsContact CD1-CD1 3.47Å; F28-L62 HydrophobicContact CB-CD1 4.12Å; F28-L62 HydrophobicContact CD1-CD2 4.12Å; F28-L62 HydrophobicContact CD2-CB 3.82Å; F28-L62 HydrophobicContact CD2-CD1 4.25Å; F28-L62 HydrophobicContact CD2-CD2 3.84Å; F28-L62 HydrophobicContact CD2-CG 4.18Å; F28-L62 HydrophobicContact CE1-CD2 4.13Å; F28-L62 HydrophobicContact CE2-CB 4.07Å; F28-L62 HydrophobicContact CE2-CD2 3.85Å; F28-L62 HydrophobicContact CE2-CG 4.49Å; F28-L62 HydrophobicContact CG-CD1 4.18Å; F28-L62 HydrophobicContact CG-CD2 3.97Å; F28-L62 HydrophobicContact CG-CG 4.47Å; F28-L62 HydrophobicContact CZ-CD2 4Å; F33-L62 HydrophobicContact CD1-CB 3.75Å; F33-L62 HydrophobicContact CE1-CB 3.42Å; F33-L62 VanDerWaalsContact CE1-CB 3.42Å; F33-L62 HydrophobicContact CE1-CD1 4.11Å; F33-L62 HydrophobicContact CE1-CG 4.43Å; F33-L62 HydrophobicContact CZ-CB 4.17Å; F33-L62 HydrophobicContact CZ-CD1 4.01Å; R58-L62 PolarHBondContact O-N 2.85Å; L59-L62 PolarHBondContact O-N 2.87Å; N60-L62 VanDerWaalsContact C-N 3.34Å; L62-K64 VanDerWaalsContact C-N 3.31Å; L62-K64 PolarHBondContact O-N 3.37Å; L62-C65 PolarHBondContact O-N 2.95Å; L62-C65 VanDerWaalsContact O-N 3.11Å; L62-A66 PolarHBondContact O-N 3.46Å
63	N	90.9	Very high	80.6	Confident	23 Å²	23	56.1 Å²	56.1	12%	0.123	29%	0.289	C	S	.	.	H	α-helix	trans	-53.8	-48.4	173.4	-82.8	-3.5	0	0	0	111	F33 P34 I35 L59 N60 C65 A66 S67	F33-N63 WeakPolarHBondContact CD1-OD1 3.26Å; F33-N63 WeakPolarHBondContact CE1-OD1 3.36Å; P34-N63 WeakPolarHBondContact CA-OD1 3.42Å; P34-N63 HydrophobicContact CB-CB 4Å; P34-N63 WeakPolarHBondContact CB-OD1 3.47Å; I35-N63 PolarHBondContact N-OD1 3.14Å; I35-N63 PolarHBondContact O-ND2 3.02Å; L59-N63 WeakPolarHBondContact O-CB 3.34Å; L59-N63 PolarHBondContact O-N 2.96Å; N60-N63 PolarHBondContact O-N 2.81Å; N63-C65 PolarHBondContact O-N 2.85Å; N63-A66 PolarHBondContact O-N 2.91Å; N63-S67 PolarHBondContact O-N 2.86Å; N63-S67 PolarHBondContact O-OG 2.76Å; N63-S67 VanDerWaalsContact O-OG 3.07Å
64	K	88.5	Confident	78.8	Confident	123 Å²	123	53.4 Å²	53.4	54%	0.535	28%	0.277	S	S	.	.	H	α-helix	trans	-60.6	-41.6	176.2	-177.3	-174.1	176.1	-167.3	0	112.6	N60 T61 L62 S67 M68	N60-K64 WeakPolarHBondContact O-CB 3.26Å; N60-K64 PolarHBondContact O-N 3.49Å; T61-K64 PolarHBondContact O-N 2.84Å; L62-K64 VanDerWaalsContact C-N 3.31Å; L62-K64 PolarHBondContact O-N 3.37Å; K64-S67 PolarHBondContact O-N 3.25Å; K64-M68 WeakPolarHBondContact O-CG 3.35Å; K64-M68 PolarHBondContact O-N 2.92Å
65	C	85.3	Confident	76.7	Confident	0 Å²	0	58 Å²	58	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-68.7	-37.3	178.9	-68.2	0	0	0	0	112.7	S5 A9 F28 T61 L62 N63 M68 L70	S5-C65 PolarHBondContact O-SG 2.77Å; A9-C65 HydrophobicContact CB-CB 3.94Å; F28-C65 HydrophobicContact CE2-CB 4.41Å; F28-C65 HydrophobicContact CZ-CB 4.3Å; T61-C65 WeakPolarHBondContact O-CB 3.5Å; T61-C65 PolarHBondContact O-N 3.06Å; T61-C65 PolarHBondContact O-SG 2.67Å; L62-C65 PolarHBondContact O-N 2.95Å; L62-C65 VanDerWaalsContact O-N 3.11Å; N63-C65 PolarHBondContact O-N 2.85Å; C65-M68 PolarHBondContact O-N 2.79Å; C65-L70 HydrophobicContact CB-CD1 4.05Å
66	A	84.4	Confident	74.6	Confident	24 Å²	24	65.1 Å²	65.1	20%	0.198	34%	0.338	C	S	.	.	H	α-helix	trans	-66.3	-43.6	173.4	0	0	0	0	0	111.8	F28 F33 L62 N63 M68 K69	F28-A66 HydrophobicContact CE2-CB 4.23Å; F33-A66 HydrophobicContact CB-CB 3.59Å; L62-A66 PolarHBondContact O-N 3.46Å; N63-A66 PolarHBondContact O-N 2.91Å; A66-M68 PolarHBondContact O-N 2.87Å; A66-M68 VanDerWaalsContact O-N 3.16Å; A66-K69 PolarHBondContact O-N 3.2Å
67	S	81.5	Confident	72.1	Confident	88 Å²	88	73.1 Å²	73.1	62%	0.615	37%	0.372	S	S	*	.	H	α-helix	trans	-59.6	-25.7	174	-57.8	0	0	0	0	113.4	N63 K64 K69	N63-S67 PolarHBondContact O-N 2.86Å; N63-S67 PolarHBondContact O-OG 2.76Å; N63-S67 VanDerWaalsContact O-OG 3.07Å; K64-S67 PolarHBondContact O-N 3.25Å; S67-K69 VanDerWaalsContact C-N 3.26Å; S67-K69 PolarHBondContact O-N 3.42Å
68	M	78.6	Confident	69.6	Low	61 Å²	61	78.6 Å²	78.6	30%	0.3	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	3.5	174.2	-70.6	175.9	64.3	0	0	114	M1 K64 C65 A66 L70	M1-M68 HydrophobicContact CG-CE 4.47Å; K64-M68 WeakPolarHBondContact O-CG 3.35Å; K64-M68 PolarHBondContact O-N 2.92Å; C65-M68 PolarHBondContact O-N 2.79Å; A66-M68 PolarHBondContact O-N 2.87Å; A66-M68 VanDerWaalsContact O-N 3.16Å; M68-L70 HydrophobicContact CB-CD1 4.23Å; M68-L70 HydrophobicContact CB-CD2 4.48Å; M68-L70 HydrophobicContact CB-CG 3.91Å; M68-L70 PolarHBondContact O-N 2.85Å
69	K	68.5	Low	67.1	Low	188 Å²	188	79.9 Å²	79.9	82%	0.817	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.4	44.8	-175.5	-63.3	-170.4	177.4	-173.8	0	112.7	A66 S67 D71	A66-K69 PolarHBondContact O-N 3.2Å; S67-K69 VanDerWaalsContact C-N 3.26Å; S67-K69 PolarHBondContact O-N 3.42Å; K69-D71 PolarHBondContact O-N 2.86Å
70	L	61.4	Low	64.5	Low	19 Å²	19	86.7 Å²	86.7	10%	0.099	44%	0.441	C	S	.	.			trans	-77.1	109.2	176.6	-64	174.3	0	0	0	109.1	M2 Q6 C65 M68 V72	M2-L70 HydrophobicContact CB-CD2 3.92Å; M2-L70 HydrophobicContact CG-CD2 3.81Å; Q6-L70 HydrophobicContact CG-CB 4.47Å; Q6-L70 HydrophobicContact CG-CD1 4.5Å; Q6-L70 HydrophobicContact CG-CD2 4.41Å; C65-L70 HydrophobicContact CB-CD1 4.05Å; M68-L70 HydrophobicContact CB-CD1 4.23Å; M68-L70 HydrophobicContact CB-CD2 4.48Å; M68-L70 HydrophobicContact CB-CG 3.91Å; M68-L70 PolarHBondContact O-N 2.85Å; L70-V72 HydrophobicContact CB-CG2 3.97Å; L70-V72 WeakPolarHBondContact O-CG2 3.35Å; L70-V72 PolarHBondContact O-N 3.21Å
71	D	54.9	Low	62.1	Low	130 Å²	130	85 Å²	85	70%	0.695	43%	0.432	S	S	*	.			trans	-64.9	79.2	163.8	-73.5	-28.7	0	0	0	109.3	K69 N73	K69-D71 PolarHBondContact O-N 2.86Å; D71-N73 PolarHBondContact O-N 3.25Å; D71-N73 PolarHBondContact O-ND2 3.49Å
72	V	55.8	Low	59.7	Low	32 Å²	32	85 Å²	85	19%	0.194	43%	0.434	C	S	.	.			trans	-74.8	80.1	173.2	-160.8	0	0	0	0	107.3	A9 F28 L70 L74	A9-V72 HydrophobicContact CB-CG2 4.19Å; F28-V72 HydrophobicContact CE1-CB 4.27Å; F28-V72 HydrophobicContact CE1-CG2 3.96Å; F28-V72 HydrophobicContact CZ-CG2 4.01Å; L70-V72 HydrophobicContact CB-CG2 3.97Å; L70-V72 WeakPolarHBondContact O-CG2 3.35Å; L70-V72 PolarHBondContact O-N 3.21Å; V72-L74 HydrophobicContact CG1-CD1 4.48Å; V72-L74 HydrophobicContact CG1-CD2 4.37Å; V72-L74 HydrophobicContact CG1-CG 3.94Å; V72-L74 PolarHBondContact O-N 2.97Å
73	N	48.5	Very low	57.6	Low	142 Å²	142	87.8 Å²	87.8	76%	0.759	45%	0.449	S	S	*	.			trans	-63.8	74.5	168.6	-84	-93	0	0	0	109.2	D71 P75	D71-N73 PolarHBondContact O-N 3.25Å; D71-N73 PolarHBondContact O-ND2 3.49Å; N73-P75 WeakPolarHBondContact O-CD 3.44Å
74	L	52.8	Low	55.6	Low	35 Å²	35	89.2 Å²	89.2	18%	0.183	46%	0.455	C	S	.	.			trans	-65.1	109.3	166.8	-76.1	165.6	0	0	0	106.2	K10 E29 V72 K76	K10-L74 HydrophobicContact CB-CD2 4.28Å; K10-L74 HydrophobicContact CD-CD2 3.9Å; K10-L74 HydrophobicContact CG-CD2 3.9Å; E29-L74 HydrophobicContact CG-CD1 3.66Å; V72-L74 HydrophobicContact CG1-CD1 4.48Å; V72-L74 HydrophobicContact CG1-CD2 4.37Å; V72-L74 HydrophobicContact CG1-CG 3.94Å; V72-L74 PolarHBondContact O-N 2.97Å; L74-K76 PolarHBondContact O-N 3.18Å
75	P	44.1	Very low	53.8	Low	98 Å²	98	87.7 Å²	87.7	64%	0.636	45%	0.45	S	S	*	.			trans	-64.9	114.9	175.6	27.4	-32.2	0	0	0	106.9	N73 K77	N73-P75 WeakPolarHBondContact O-CD 3.44Å; P75-K77 PolarHBondContact O-N 2.88Å
76	K	45.2	Very low	52.2	Low	151 Å²	151	89.4 Å²	89.4	66%	0.657	46%	0.459	S	S	*	.			trans	-65.1	75.3	169.2	-72	-168.2	175.8	-175.5	0	108.7	E29 L74 K78	E29-K76 WeakPolarHBondContact OE2-CE 3.25Å; L74-K76 PolarHBondContact O-N 3.18Å; K76-K78 VanDerWaalsContact C-N 3.25Å; K76-K78 PolarHBondContact O-N 3.39Å
77	K	38.2	Very low	51	Low	177 Å²	177	89.9 Å²	89.9	77%	0.77	46%	0.458	S	S	*	.			trans	-78.7	81.4	-175.1	-164.5	-178.8	-173.4	-173.5	0	107.1	P75 S79	P75-K77 PolarHBondContact O-N 2.88Å; K77-S79 PolarHBondContact O-N 3.36Å
78	K	36.4	Very low	50.2	Low	192 Å²	192	89.3 Å²	89.3	84%	0.835	44%	0.444	S	S	*	.			trans	-56.9	79.4	177.8	-66	-175.5	177.3	-174.4	0	111.5	K76	K76-K78 VanDerWaalsContact C-N 3.25Å; K76-K78 PolarHBondContact O-N 3.39Å
79	S	38.6	Very low	49.9	Very low	58 Å²	58	87.2 Å²	87.2	41%	0.406	44%	0.437	S	S	.	.			trans	-97.2	118.7	154.8	47.7	0	0	0	0	106.4	K77 D81 S82	K77-S79 PolarHBondContact O-N 3.36Å; S79-D81 PolarHBondContact O-N 3.36Å; S79-S82 WeakPolarHBondContact O-CB 3.45Å; S79-S82 PolarHBondContact O-N 3.04Å; S79-S82 WeakPolarHBondContact OG-CB 3.4Å
80	E	36.1	Very low	50.3	Low	142 Å²	142	78.6 Å²	78.6	66%	0.664	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-16.2	-172.8	-59.6	177.6	131.6	0	0	113.8	K892	E80-K892 PolarHBondContact O-NZ 2.94Å
81	D	38.1	Very low	51.1	Low	54 Å²	54	77.8 Å²	77.8	29%	0.289	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-20.1	171	-67.6	-46.8	0	0	0	113.4	S79 R597 R900	S79-D81 PolarHBondContact O-N 3.36Å; D81-R597 IonicContact OD2-CZ 3.44Å; D81-R597 IonicContact OD2-NH1 3.54Å; D81-R597 PolarHBondContact OD2-NH1 2.94Å; D81-R597 IonicContact OD2-NH2 2.63Å; D81-R597 PolarHBondContact OD2-NH2 3.47Å; D81-R900 IonicContact OD1-CZ 3.58Å; D81-R900 IonicContact OD1-NH1 2.88Å; D81-R900 PolarHBondContact OD1-NH1 2.93Å; D81-R900 IonicContact OD1-NH2 2.67Å; D81-R900 PolarHBondContact OD1-NH2 3.49Å
82	S	38	Very low	51.8	Low	48 Å²	48	74.9 Å²	74.9	34%	0.336	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-18.5	-175.5	-170.5	0	0	0	0	114	S79 E84	S79-S82 WeakPolarHBondContact O-CB 3.45Å; S79-S82 PolarHBondContact O-N 3.04Å; S79-S82 WeakPolarHBondContact OG-CB 3.4Å; S82-E84 PolarHBondContact O-N 3.49Å
83	D	44.4	Very low	52.8	Low	58 Å²	58	75.9 Å²	75.9	31%	0.31	38%	0.382	S	S	.	.	S	Bend	trans	-68.5	-10.1	176.4	-76.6	27.9	0	0	0	111.5	L87 R101	D83-L87 WeakPolarHBondContact O-CG 3.22Å; D83-R101 IonicContact OD2-CZ 2.93Å; D83-R101 IonicContact OD2-NH1 3.73Å; D83-R101 PolarHBondContact OD2-NH1 2.75Å
84	E	48	Very low	54.2	Low	54 Å²	54	70.1 Å²	70.1	25%	0.252	35%	0.349	S	S	.	.	S	Bend	trans	-88.8	-35.9	-171	-53.1	-72.5	107.4	0	0	114.6	S82 D86 L87 K892	S82-E84 PolarHBondContact O-N 3.49Å; E84-D86 PolarHBondContact O-N 3.48Å; E84-L87 PolarHBondContact O-N 3.48Å; E84-K892 WeakPolarHBondContact OE1-CE 3.34Å; E84-K892 IonicContact OE1-NZ 3.84Å; E84-K892 PolarHBondContact OE1-NZ 2.84Å; E84-K892 IonicContact OE2-NZ 3.44Å
85	E	50.4	Low	55.2	Low	91 Å²	91	70.6 Å²	70.6	43%	0.425	35%	0.353	S	S	.	.	G	3₁₀ helix	trans	-63.3	-26.7	179.7	-66.7	-176.7	167.7	0	0	111.6	K566	E85-K566 PolarHBondContact O-NZ 3.09Å
86	D	52.9	Low	56.7	Low	36 Å²	36	67.8 Å²	67.8	19%	0.193	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-83.6	-7.5	-172.2	-64.8	3.3	0	0	0	114.1	R17 P22 E84 W103	R17-D86 WeakPolarHBondContact CD-OD1 3.31Å; R17-D86 WeakPolarHBondContact CD-OD2 3.34Å; R17-D86 IonicContact CZ-OD1 3.28Å; R17-D86 IonicContact CZ-OD2 3.1Å; R17-D86 IonicContact NE-OD1 3.73Å; R17-D86 IonicContact NE-OD2 2.72Å; R17-D86 VanDerWaalsContact NH1-CG 3.34Å; R17-D86 IonicContact NH1-OD1 2.62Å; R17-D86 PolarHBondContact NH1-OD1 2.91Å; R17-D86 IonicContact NH1-OD2 2.85Å; R17-D86 PolarHBondContact NH1-OD2 2.85Å; P22-D86 HydrophobicContact CB-CB 4.45Å; P22-D86 VanDerWaalsContact CB-O 3.25Å; P22-D86 WeakPolarHBondContact CB-O 3.4Å; P22-D86 VanDerWaalsContact CG-O 3.25Å; P22-D86 WeakPolarHBondContact CG-O 3.36Å; E84-D86 PolarHBondContact O-N 3.48Å; D86-W103 WeakPolarHBondContact O-CZ2 3.24Å; D86-W103 PolarHBondContact O-NE1 2.8Å
87	L	58	Low	57.9	Low	33 Å²	33	64.9 Å²	64.9	17%	0.173	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-88.6	-9.4	-170.5	-61.8	174.2	0	0	0	115.2	D83 E84 F96 W98 W103	D83-L87 WeakPolarHBondContact O-CG 3.22Å; E84-L87 PolarHBondContact O-N 3.48Å; L87-F96 HydrophobicContact CD2-CD1 3.87Å; L87-F96 HydrophobicContact CD2-CE1 3.54Å; L87-F96 HydrophobicContact CD2-CG 4.48Å; L87-F96 HydrophobicContact CD2-CZ 3.89Å; L87-W98 HydrophobicContact CD1-CH2 4.03Å; L87-W98 HydrophobicContact CD1-CZ3 4.28Å; L87-W98 HydrophobicContact CD2-CH2 4.45Å; L87-W98 HydrophobicContact CD2-CZ3 4.38Å; L87-W103 WeakPolarHBondContact O-CH2 3.34Å; L87-W103 WeakPolarHBondContact O-CZ2 3.44Å
88	F	64.4	Low	59	Low	76 Å²	76	63.4 Å²	63.4	33%	0.333	31%	0.31	S	S	.	.			trans	-122.5	112.2	-179	-63	-88	0	0	0	111.4	K566 G896	F88-K566 PolarHBondContact O-NZ 2.9Å; F88-G896 WeakPolarHBondContact CZ-O 3.49Å
89	A	73.2	Confident	60	Low	18 Å²	18	59.1 Å²	59.1	15%	0.149	30%	0.304	C	S	.	.			trans	-88.2	150.6	163.3	0	0	0	0	0	110	G20 P22 W103	G20-A89 CarbonylContact O-C 3.54Å; G20-A89 VanDerWaalsContact O-CA 3.32Å; G20-A89 WeakPolarHBondContact O-CA 3.39Å; P22-A89 HydrophobicContact CG-CB 4.38Å; A89-W103 HydrophobicContact CB-CE3 4.24Å; A89-W103 HydrophobicContact CB-CH2 3.58Å; A89-W103 HydrophobicContact CB-CZ2 4.09Å; A89-W103 HydrophobicContact CB-CZ3 3.65Å; A89-W103 VanDerWaalsContact N-CH2 3.31Å
90	I	76.1	Confident	61.4	Low	6 Å²	6	58.7 Å²	58.7	3%	0.031	30%	0.301	C	S	.	.	S	Bend	trans	-76.1	-28.5	177.6	-70.4	170.3	0	0	0	112.3	A19 G20 F21 F46 L563 K566 F567	A19-I90 WeakPolarHBondContact O-CD1 3.18Å; G20-I90 PolarHBondContact O-N 3.29Å; F21-I90 HydrophobicContact CZ-CD1 4.38Å; F46-I90 HydrophobicContact CE2-CG2 3.55Å; F46-I90 HydrophobicContact CZ-CG2 3.73Å; I90-L563 HydrophobicContact CG1-CD1 4.08Å; I90-K566 HydrophobicContact CD1-CB 4Å; I90-K566 HydrophobicContact CG1-CB 4.3Å; I90-F567 HydrophobicContact CB-CE2 4.38Å; I90-F567 HydrophobicContact CD1-CD2 4.14Å; I90-F567 HydrophobicContact CD1-CE2 4.15Å; I90-F567 HydrophobicContact CG1-CD2 4.38Å; I90-F567 HydrophobicContact CG1-CE2 4.08Å; I90-F567 HydrophobicContact CG2-CD2 4.39Å; I90-F567 HydrophobicContact CG2-CE1 4.3Å; I90-F567 HydrophobicContact CG2-CE2 3.41Å; I90-F567 VanDerWaalsContact CG2-CE2 3.41Å; I90-F567 HydrophobicContact CG2-CZ 3.35Å
91	S	78.3	Confident	63	Low	2 Å²	2	59.5 Å²	59.5	1%	0.014	30%	0.298	C	S	.	.			trans	-90.8	123.8	-175.2	175.4	0	0	0	0	111.7	D43 H44 K93 W94	D43-S91 PolarHBondContact O-OG 3.01Å; H44-S91 WeakPolarHBondContact CE1-CB 3.46Å; H44-S91 WeakPolarHBondContact ND1-CB 3.14Å; S91-K93 PolarHBondContact O-N 2.87Å; S91-K93 VanDerWaalsContact O-N 3.14Å; S91-K93 PolarHBondContact OG-N 3.37Å; S91-W94 PolarHBondContact O-N 3.46Å
92	D	70.7	Confident	64.8	Low	69 Å²	69	61.7 Å²	61.7	37%	0.369	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-13.1	174.8	60	-3	0	0	0	114.3	W94 L106 N829	D92-W94 VanDerWaalsContact C-N 3.25Å; D92-W94 PolarHBondContact O-N 3.23Å; D92-L106 WeakPolarHBondContact O-CD1 3.19Å; D92-N829 PolarHBondContact OD2-ND2 2.64Å
93	K	76.9	Confident	66.8	Low	53 Å²	53	60.9 Å²	60.9	23%	0.23	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-5.6	178.2	-63.3	152.7	-160.4	165.8	0	113.6	R42 D43 D45 S91 L106	R42-K93 PolarHBondContact O-NZ 2.85Å; D43-K93 WeakPolarHBondContact O-CD 3.42Å; D43-K93 PolarHBondContact O-NZ 2.82Å; D45-K93 IonicContact OD1-NZ 3.64Å; D45-K93 PolarHBondContact OD1-NZ 2.82Å; D45-K93 IonicContact OD2-NZ 2.67Å; S91-K93 PolarHBondContact O-N 2.87Å; S91-K93 VanDerWaalsContact O-N 3.14Å; S91-K93 PolarHBondContact OG-N 3.37Å; K93-L106 PolarHBondContact O-N 3.03Å; K93-L106 VanDerWaalsContact O-N 3.14Å
94	W	77.7	Confident	68.4	Low	22 Å²	22	59.6 Å²	59.6	8%	0.083	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	133.7	-176.5	-73.3	87.7	0	0	0	111.6	Q23 Y24 L27 D43 S91 D92 W103 S104 R105	Q23-W94 HydrophobicContact CB-CD2 4.15Å; Q23-W94 HydrophobicContact CB-CE3 3.83Å; Q23-W94 HydrophobicContact CB-CZ3 4.05Å; Q23-W94 HydrophobicContact CG-CD2 3.73Å; Q23-W94 HydrophobicContact CG-CE3 3.92Å; Q23-W94 HydrophobicContact CG-CG 4.15Å; Q23-W94 HydrophobicContact CG-CH2 4.35Å; Q23-W94 HydrophobicContact CG-CZ2 4.19Å; Q23-W94 HydrophobicContact CG-CZ3 4.23Å; Y24-W94 HydrophobicContact CE1-CZ2 4.02Å; L27-W94 HydrophobicContact CD1-CH2 4.07Å; D43-W94 PolarHBondContact OD2-NE1 2.91Å; S91-W94 PolarHBondContact O-N 3.46Å; D92-W94 VanDerWaalsContact C-N 3.25Å; D92-W94 PolarHBondContact O-N 3.23Å; W94-W103 HydrophobicContact CB-CE3 4.07Å; W94-W103 HydrophobicContact CB-CZ3 4.36Å; W94-W103 HydrophobicContact CE3-CB 4.17Å; W94-W103 HydrophobicContact CZ3-CB 4.45Å; W94-S104 WeakPolarHBondContact CA-O 3.24Å; W94-R105 HydrophobicContact CD2-CG 3.87Å; W94-R105 HydrophobicContact CE3-CG 3.94Å; W94-R105 HydrophobicContact CH2-CG 3.74Å; W94-R105 HydrophobicContact CZ2-CG 3.64Å; W94-R105 VanDerWaalsContact CZ2-NE 3.27Å; W94-R105 HydrophobicContact CZ3-CG 3.88Å
95	T	74	Confident	69.8	Low	44 Å²	44	60.4 Å²	60.4	27%	0.27	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	142.3	179.6	42.9	0	0	0	0	111.4	W103 S104 L106 I109	T95-W103 WeakPolarHBondContact O-CA 3.21Å; T95-S104 PolarHBondContact N-O 3.25Å; T95-S104 PolarHBondContact O-N 3.21Å; T95-S104 PolarHBondContact O-OG 3.33Å; T95-S104 PolarHBondContact OG1-OG 3.3Å; T95-L106 HydrophobicContact CG2-CD1 3.8Å; T95-L106 HydrophobicContact CG2-CD2 4Å; T95-L106 HydrophobicContact CG2-CG 3.76Å; T95-I109 WeakPolarHBondContact OG1-CD1 3.4Å
96	F	74.7	Confident	70.5	Confident	40 Å²	40	59.2 Å²	59.2	18%	0.175	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	117.1	172.4	-172.7	-104.7	0	0	0	110.5	L87 W98 R101 W103	L87-F96 HydrophobicContact CD2-CD1 3.87Å; L87-F96 HydrophobicContact CD2-CE1 3.54Å; L87-F96 HydrophobicContact CD2-CG 4.48Å; L87-F96 HydrophobicContact CD2-CZ 3.89Å; F96-W98 HydrophobicContact CD1-CD2 4.22Å; F96-W98 HydrophobicContact CD1-CE3 4.44Å; F96-W98 HydrophobicContact CE1-CD2 4.46Å; F96-W98 HydrophobicContact CE1-CE3 4.28Å; F96-W98 PolarHBondContact O-N 3.27Å; F96-R101 HydrophobicContact CZ-CB 3.91Å; F96-R101 HydrophobicContact CZ-CG 4.32Å; F96-W103 HydrophobicContact CB-CD2 4.12Å; F96-W103 HydrophobicContact CB-CE3 4.07Å; F96-W103 HydrophobicContact CB-CH2 3.85Å; F96-W103 HydrophobicContact CB-CZ2 3.92Å; F96-W103 HydrophobicContact CB-CZ3 3.94Å; F96-W103 AromaticContact CD2-CD1 3.86Å; F96-W103 HydrophobicContact CD2-CD2 4.05Å; F96-W103 AromaticContact CD2-CE2 3.78Å; F96-W103 HydrophobicContact CD2-CG 4.1Å; F96-W103 HydrophobicContact CD2-CZ2 4.29Å; F96-W103 AromaticContact CD2-NE1 3.65Å; F96-W103 HydrophobicContact CG-CZ2 4.43Å
97	E	70.2	Confident	70.7	Confident	89 Å²	89	64 Å²	64	42%	0.416	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	106.7	177.9	-166.1	-155.4	162.1	0	0	110.2	S99 S100 R101 R102	E97-S99 VanDerWaalsContact C-N 3.3Å; E97-S99 WeakPolarHBondContact CG-OG 3.29Å; E97-S99 PolarHBondContact O-N 2.72Å; E97-S99 PolarHBondContact OE1-OG 3.03Å; E97-S100 PolarHBondContact O-N 2.99Å; E97-S100 VanDerWaalsContact OE2-CB 3.23Å; E97-S100 WeakPolarHBondContact OE2-CB 3.3Å; E97-S100 PolarHBondContact OE2-OG 3.2Å; E97-R101 VanDerWaalsContact O-CA 3.3Å; E97-R101 WeakPolarHBondContact O-CA 3.24Å; E97-R101 PolarHBondContact O-N 3.31Å; E97-R102 PolarHBondContact N-O 2.76Å; E97-R102 PolarHBondContact O-N 2.96Å
98	W	61.7	Low	70.3	Confident	146 Å²	146	66.9 Å²	66.9	55%	0.553	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-31.1	-175.3	-66.3	93.7	0	0	0	114.6	L87 F96	L87-W98 HydrophobicContact CD1-CH2 4.03Å; L87-W98 HydrophobicContact CD1-CZ3 4.28Å; L87-W98 HydrophobicContact CD2-CH2 4.45Å; L87-W98 HydrophobicContact CD2-CZ3 4.38Å; F96-W98 HydrophobicContact CD1-CD2 4.22Å; F96-W98 HydrophobicContact CD1-CE3 4.44Å; F96-W98 HydrophobicContact CE1-CD2 4.46Å; F96-W98 HydrophobicContact CE1-CE3 4.28Å; F96-W98 PolarHBondContact O-N 3.27Å
99	S	58.5	Low	69.5	Low	102 Å²	102	65.9 Å²	65.9	71%	0.713	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-47.8	177.5	28	0	0	0	0	112.8	E97	E97-S99 VanDerWaalsContact C-N 3.3Å; E97-S99 WeakPolarHBondContact CG-OG 3.29Å; E97-S99 PolarHBondContact O-N 2.72Å; E97-S99 PolarHBondContact OE1-OG 3.03Å
100	S	66.8	Low	67.8	Low	49 Å²	49	70.1 Å²	70.1	34%	0.343	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-16.1	-177.8	72	0	0	0	0	113.5	E97 R102	E97-S100 PolarHBondContact O-N 2.99Å; E97-S100 VanDerWaalsContact OE2-CB 3.23Å; E97-S100 WeakPolarHBondContact OE2-CB 3.3Å; E97-S100 PolarHBondContact OE2-OG 3.2Å; S100-R102 WeakPolarHBondContact OG-CB 3.34Å; S100-R102 PolarHBondContact OG-N 2.86Å
101	R	70.7	Confident	65.9	Low	159 Å²	159	74 Å²	74	60%	0.6	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.5	46.7	-167.6	-64.6	-179.6	165.8	-132.5	0.1	112.4	Q26 D83 F96 E97	Q26-R101 PolarHBondContact NE2-O 2.69Å; D83-R101 IonicContact OD2-CZ 2.93Å; D83-R101 IonicContact OD2-NH1 3.73Å; D83-R101 PolarHBondContact OD2-NH1 2.75Å; F96-R101 HydrophobicContact CZ-CB 3.91Å; F96-R101 HydrophobicContact CZ-CG 4.32Å; E97-R101 VanDerWaalsContact O-CA 3.3Å; E97-R101 WeakPolarHBondContact O-CA 3.24Å; E97-R101 PolarHBondContact O-N 3.31Å
102	R	75.8	Confident	64	Low	100 Å²	100	79.7 Å²	79.7	38%	0.377	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	140.4	-178.3	-61	-174.4	154.8	-70.6	-7.8	112.5	D30 E97 S100	D30-R102 VanDerWaalsContact CG-NH1 3.27Å; D30-R102 IonicContact OD1-CZ 3.82Å; D30-R102 IonicContact OD1-NH1 3.44Å; D30-R102 PolarHBondContact OD1-NH1 2.87Å; D30-R102 IonicContact OD1-NH2 3.26Å; D30-R102 PolarHBondContact OD1-NH2 3.45Å; D30-R102 IonicContact OD2-CZ 3.85Å; D30-R102 IonicContact OD2-NH1 2.71Å; D30-R102 PolarHBondContact OD2-NH1 2.83Å; D30-R102 IonicContact OD2-NH2 4Å; E97-R102 PolarHBondContact N-O 2.76Å; E97-R102 PolarHBondContact O-N 2.96Å; S100-R102 WeakPolarHBondContact OG-CB 3.34Å; S100-R102 PolarHBondContact OG-N 2.86Å
103	W	80.3	Confident	62.5	Low	32 Å²	32	82.7 Å²	82.7	12%	0.121	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	128.8	163.8	-74.3	100.2	0	0	0	110.9	P22 Q23 D86 L87 A89 W94 T95 F96	P22-W103 HydrophobicContact CG-CZ2 3.69Å; Q23-W103 HydrophobicContact CB-CB 3.54Å; Q23-W103 HydrophobicContact CB-CD2 4.13Å; Q23-W103 HydrophobicContact CB-CG 3.62Å; D86-W103 WeakPolarHBondContact O-CZ2 3.24Å; D86-W103 PolarHBondContact O-NE1 2.8Å; L87-W103 WeakPolarHBondContact O-CH2 3.34Å; L87-W103 WeakPolarHBondContact O-CZ2 3.44Å; A89-W103 HydrophobicContact CB-CE3 4.24Å; A89-W103 HydrophobicContact CB-CH2 3.58Å; A89-W103 HydrophobicContact CB-CZ2 4.09Å; A89-W103 HydrophobicContact CB-CZ3 3.65Å; A89-W103 VanDerWaalsContact N-CH2 3.31Å; W94-W103 HydrophobicContact CB-CE3 4.07Å; W94-W103 HydrophobicContact CB-CZ3 4.36Å; W94-W103 HydrophobicContact CE3-CB 4.17Å; W94-W103 HydrophobicContact CZ3-CB 4.45Å; T95-W103 WeakPolarHBondContact O-CA 3.21Å; F96-W103 HydrophobicContact CB-CD2 4.12Å; F96-W103 HydrophobicContact CB-CE3 4.07Å; F96-W103 HydrophobicContact CB-CH2 3.85Å; F96-W103 HydrophobicContact CB-CZ2 3.92Å; F96-W103 HydrophobicContact CB-CZ3 3.94Å; F96-W103 AromaticContact CD2-CD1 3.86Å; F96-W103 HydrophobicContact CD2-CD2 4.05Å; F96-W103 AromaticContact CD2-CE2 3.78Å; F96-W103 HydrophobicContact CD2-CG 4.1Å; F96-W103 HydrophobicContact CD2-CZ2 4.29Å; F96-W103 AromaticContact CD2-NE1 3.65Å; F96-W103 HydrophobicContact CG-CZ2 4.43Å
104	S	76.6	Confident	60.5	Low	30 Å²	30	91 Å²	91	21%	0.21	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	157.3	177	58.9	0	0	0	0	110.9	W94 T95	W94-S104 WeakPolarHBondContact CA-O 3.24Å; T95-S104 PolarHBondContact N-O 3.25Å; T95-S104 PolarHBondContact O-N 3.21Å; T95-S104 PolarHBondContact O-OG 3.33Å; T95-S104 PolarHBondContact OG1-OG 3.3Å
105	R	77.9	Confident	58.4	Low	72 Å²	72	94.8 Å²	94.8	27%	0.272	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	137.3	172	-76.9	177.3	159.7	150.5	-3.8	110.2	D43 W94 Q107 D108	D43-R105 IonicContact OD1-NE 3.2Å; D43-R105 IonicContact OD1-NH2 2.87Å; D43-R105 PolarHBondContact OD1-NH2 3.11Å; D43-R105 IonicContact OD2-CZ 3.31Å; D43-R105 IonicContact OD2-NE 3.21Å; D43-R105 IonicContact OD2-NH2 3.85Å; D43-R105 PolarHBondContact OD2-NH2 2.97Å; W94-R105 HydrophobicContact CD2-CG 3.87Å; W94-R105 HydrophobicContact CE3-CG 3.94Å; W94-R105 HydrophobicContact CH2-CG 3.74Å; W94-R105 HydrophobicContact CZ2-CG 3.64Å; W94-R105 VanDerWaalsContact CZ2-NE 3.27Å; W94-R105 HydrophobicContact CZ3-CG 3.88Å; R105-Q107 PolarHBondContact O-N 3.19Å; R105-Q107 VanDerWaalsContact O-N 3.12Å; R105-D108 PolarHBondContact O-N 2.79Å
106	L	65	Low	56.5	Low	65 Å²	65	101.2 Å²	101.2	34%	0.34	49%	0.492	S	S	.	.	H	α-helix	trans	-61.4	-22.2	177.1	-87	155.7	0	0	0	113.9	D92 K93 T95 D108 I109 N110	D92-L106 WeakPolarHBondContact O-CD1 3.19Å; K93-L106 PolarHBondContact O-N 3.03Å; K93-L106 VanDerWaalsContact O-N 3.14Å; T95-L106 HydrophobicContact CG2-CD1 3.8Å; T95-L106 HydrophobicContact CG2-CD2 4Å; T95-L106 HydrophobicContact CG2-CG 3.76Å; L106-D108 VanDerWaalsContact C-N 3.34Å; L106-I109 HydrophobicContact CD2-CD1 4.23Å; L106-N110 PolarHBondContact O-N 2.91Å; L106-N110 PolarHBondContact O-ND2 2.89Å
107	Q	57.3	Low	54.2	Low	137 Å²	137	102.6 Å²	102.6	64%	0.64	52%	0.517	S	S	*	.	H	α-helix	trans	-68.4	-32.8	174.9	-67.7	176.1	11.1	0	0	112.2	R105	R105-Q107 PolarHBondContact O-N 3.19Å; R105-Q107 VanDerWaalsContact O-N 3.12Å
108	D	49.5	Very low	52.2	Low	94 Å²	94	108.2 Å²	108.2	50%	0.503	54%	0.544	S	S	.	.	H	α-helix	trans	-76.4	-35.2	178.6	-57.3	-41.1	0	0	0	111.6	R105 L106 N110 C111 L112	R105-D108 PolarHBondContact O-N 2.79Å; L106-D108 VanDerWaalsContact C-N 3.34Å; D108-N110 VanDerWaalsContact C-N 3.32Å; D108-N110 PolarHBondContact O-N 2.88Å; D108-C111 WeakPolarHBondContact O-CB 3.27Å; D108-C111 PolarHBondContact O-N 2.9Å; D108-C111 VanDerWaalsContact O-N 3.11Å; D108-L112 PolarHBondContact O-N 2.86Å
109	I	47.4	Very low	50.5	Low	55 Å²	55	104.7 Å²	104.7	28%	0.282	55%	0.553	S	S	.	*	H	α-helix	trans	-61.6	-40.9	176.9	-59.7	176.5	0	0	0	111	T95 L106 C111 L112 L113	T95-I109 WeakPolarHBondContact OG1-CD1 3.4Å; L106-I109 HydrophobicContact CD2-CD1 4.23Å; I109-C111 VanDerWaalsContact C-N 3.27Å; I109-C111 PolarHBondContact O-N 2.85Å; I109-L112 PolarHBondContact O-N 3.34Å; I109-L113 HydrophobicContact CG2-CD1 4.02Å; I109-L113 HydrophobicContact CG2-CG 4.48Å; I109-L113 PolarHBondContact O-N 3.27Å
110	N	37	Very low	49	Very low	107 Å²	107	108.9 Å²	108.9	57%	0.572	56%	0.561	S	S	*	*	H	α-helix	trans	-66.6	-26.3	176.3	-79.2	-76.7	0	0	0	113.2	L106 D108	L106-N110 PolarHBondContact O-N 2.91Å; L106-N110 PolarHBondContact O-ND2 2.89Å; D108-N110 VanDerWaalsContact C-N 3.32Å; D108-N110 PolarHBondContact O-N 2.88Å
111	C	36.7	Very low	47	Very low	87 Å²	87	112.7 Å²	112.7	59%	0.588	58%	0.582	S	S	*	*	H	α-helix	trans	-73.1	-44.5	170.9	-68.1	0	0	0	0	111.2	D108 I109 R114 T115	D108-C111 WeakPolarHBondContact O-CB 3.27Å; D108-C111 PolarHBondContact O-N 2.9Å; D108-C111 VanDerWaalsContact O-N 3.11Å; I109-C111 VanDerWaalsContact C-N 3.27Å; I109-C111 PolarHBondContact O-N 2.85Å; C111-R114 PolarHBondContact O-N 2.91Å; C111-T115 PolarHBondContact O-OG1 2.97Å
112	L	39.8	Very low	44.8	Very low	122 Å²	122	109.8 Å²	109.8	64%	0.639	59%	0.586	S	S	*	*	H	α-helix	trans	-62.6	-47.1	179.6	-68.9	171.4	0	0	0	112.4	D108 I109 R114 T115	D108-L112 PolarHBondContact O-N 2.86Å; I109-L112 PolarHBondContact O-N 3.34Å; L112-R114 PolarHBondContact O-N 3.16Å; L112-R114 VanDerWaalsContact O-N 3.14Å; L112-T115 WeakPolarHBondContact O-CB 3.37Å; L112-T115 PolarHBondContact O-N 3.01Å; L112-T115 PolarHBondContact O-OG1 3.07Å
113	L	38.8	Very low	42.6	Very low	131 Å²	131	113.7 Å²	113.7	69%	0.686	61%	0.606	S	S	*	*	H	α-helix	trans	-60.5	-22.9	177.3	-75.3	169.6	0	0	0	113.3	I109 T115	I109-L113 HydrophobicContact CG2-CD1 4.02Å; I109-L113 HydrophobicContact CG2-CG 4.48Å; I109-L113 PolarHBondContact O-N 3.27Å; L113-T115 VanDerWaalsContact C-N 3.28Å; L113-T115 PolarHBondContact O-N 2.74Å
114	R	34.1	Very low	40	Very low	229 Å²	229	119.3 Å²	119.3	86%	0.864	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.6	3	178.3	-155.5	172.7	-179.8	-173.7	-0.6	113.8	C111 L112	C111-R114 PolarHBondContact O-N 2.91Å; L112-R114 PolarHBondContact O-N 3.16Å; L112-R114 VanDerWaalsContact O-N 3.14Å
115	T	34.5	Very low	37.7	Very low	100 Å²	100	121.3 Å²	121.3	61%	0.613	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.7	-3.5	-176	-18.8	0	0	0	0	114.4	C111 L112 L113	C111-T115 PolarHBondContact O-OG1 2.97Å; L112-T115 WeakPolarHBondContact O-CB 3.37Å; L112-T115 PolarHBondContact O-N 3.01Å; L112-T115 PolarHBondContact O-OG1 3.07Å; L113-T115 VanDerWaalsContact C-N 3.28Å; L113-T115 PolarHBondContact O-N 2.74Å
116	H	34	Very low	35.3	Very low	180 Å²	180	125.8 Å²	125.8	83%	0.833	69%	0.693	S	S	*	*			trans	-117.4	88	-180	-77.2	-71.6	0	0	0	111.6
117	G	26.6	Very low	34	Very low	68 Å²	68	127.4 Å²	127.4	70%	0.701	71%	0.707	S	S	*	*			trans	177.2	75.5	177.2	0	0	0	0	0	114.4
118	E	27.7	Very low	32.5	Very low	207 Å²	207	127.4 Å²	127.4	97%	0.967	71%	0.711	S	S	*	*			trans	63.6	159.8	158.5	-57.9	-177.2	159.5	0	0	117.7
119	G	26.5	Very low	31.3	Very low	72 Å²	72	131 Å²	131	74%	0.742	72%	0.724	S	S	*	*			cis	174.1	51.9	-1.4	0	0	0	0	0	115
120	Q	26.4	Very low	30.4	Very low	190 Å²	190	132.7 Å²	132.7	89%	0.888	74%	0.741	S	S	*	*			trans	16.7	127.8	167.7	-67.2	-175.6	-11.3	0	0	122.3
121	T	24.4	Very low	29.8	Very low	129 Å²	129	133.9 Å²	133.9	79%	0.791	75%	0.752	S	S	*	*				-149.4	109.7	128.7	42.3	0	0	0	0	108.4
122	S	25.4	Very low	29.1	Very low	98 Å²	98	135.6 Å²	135.6	69%	0.685	76%	0.76	S	S	*	*				48	118.9	89.3	73.9	0	0	0	0	113.4
123	K	28.5	Very low	28.7	Very low	183 Å²	183	134.5 Å²	134.5	80%	0.796	76%	0.763	S	S	*	*			cis	-158.1	174.1	45.1	-78	-177.2	176.8	-176.1	0	110.7
124	D	26.8	Very low	28.6	Very low	149 Å²	149	138.1 Å²	138.1	80%	0.797	77%	0.767	S	S	*	*	S	Bend	cis	-138	159.9	4.6	-97.7	-46.9	0	0	0	109.4
125	G	28.1	Very low	28.5	Very low	73 Å²	73	134 Å²	134	75%	0.753	76%	0.758	S	S	*	*			trans	136.3	100.9	173.9	0	0	0	0	0	113.7
126	L	27.2	Very low	28.3	Very low	165 Å²	165	134.3 Å²	134.3	86%	0.864	76%	0.764	S	S	*	*			trans	-99.6	177	-173.4	-69.5	169.4	0	0	0	111.2
127	P	37.4	Very low	28.3	Very low	99 Å²	99	131 Å²	131	64%	0.643	76%	0.756	S	S	*	*				-123.5	-171.6	-95.2	25.8	-0.3	0	0	0	111.8
128	L	25.1	Very low	28.5	Very low	137 Å²	137	134.7 Å²	134.7	72%	0.717	76%	0.759	S	S	*	*				-177.9	151.4	71.3	-80.7	167.8	0	0	0	113
129	H	24.6	Very low	28.8	Very low	170 Å²	170	130.4 Å²	130.4	79%	0.787	75%	0.747	S	S	*	*			trans	51	138.9	149.3	-70.5	-56.9	0	0	0	125.6
130	S	28.3	Very low	28.9	Very low	90 Å²	90	132.9 Å²	132.9	63%	0.629	74%	0.744	S	S	*	*			trans	-79.9	-178.9	162.9	53.4	0	0	0	0	113.8
131	T	24.8	Very low	29	Very low	132 Å²	132	131.4 Å²	131.4	81%	0.81	74%	0.741	S	S	*	*			trans	77.3	153.4	-179.5	79.8	0	0	0	0	113.3
132	T	23.1	Very low	29.3	Very low	123 Å²	123	129.8 Å²	129.8	76%	0.755	74%	0.735	S	S	*	*			cis	-128.8	175.6	9.9	46.6	0	0	0	0	113
133	S	31.1	Very low	29.6	Very low	99 Å²	99	133.8 Å²	133.8	69%	0.692	74%	0.743	S	S	*	*			trans	-90.9	143.1	163.1	57.7	0	0	0	0	111.9
134	R	35.1	Very low	30.2	Very low	207 Å²	207	130.1 Å²	130.1	78%	0.781	74%	0.737	S	S	*	*			trans	69.4	165.5	174	-50.1	161.3	69.8	133.6	-5.1	111.5
135	E	33.2	Very low	30.2	Very low	144 Å²	144	130.6 Å²	130.6	67%	0.673	74%	0.735	S	S	*	*			cis	-159.8	175	15.6	-158.2	143.9	-122.4	0	0	111.8
136	S	30.3	Very low	30.3	Very low	105 Å²	105	132.1 Å²	132.1	73%	0.734	73%	0.73	S	S	*	*			trans	-151.4	149.6	144.2	62.2	0	0	0	0	107.6
137	V	33.6	Very low	30.2	Very low	112 Å²	112	129.3 Å²	129.3	68%	0.679	72%	0.724	S	S	*	*			cis	-152.9	128.8	42.6	165.1	0	0	0	0	110.9
138	L	30.5	Very low	29.7	Very low	144 Å²	144	129.2 Å²	129.2	75%	0.754	73%	0.725	S	S	*	*			trans	65.1	154.5	163.3	-59.6	169.8	0	0	0	116.8
139	T	33.3	Very low	29.8	Very low	118 Å²	118	129.6 Å²	129.6	72%	0.724	73%	0.727	S	S	*	*			cis	-170.1	155.9	-1.8	21.5	0	0	0	0	107.8
140	D	29.8	Very low	30	Very low	124 Å²	124	128.9 Å²	128.9	66%	0.663	72%	0.724	S	S	*	*			cis	-175	165.8	-26.4	-129.8	-64.9	0	0	0	110.9
141	L	29	Very low	29.9	Very low	158 Å²	158	129.5 Å²	129.5	83%	0.827	73%	0.728	S	S	*	*			trans	59.2	149.8	170.9	-55.7	177	0	0	0	118
142	S	30.8	Very low	30	Very low	96 Å²	96	132 Å²	132	67%	0.671	73%	0.731	S	S	*	*			cis	-166.1	134.1	-18.4	51.4	0	0	0	0	110.7
143	E	29.9	Very low	30.2	Very low	181 Å²	181	131.5 Å²	131.5	85%	0.846	73%	0.733	S	S	*	*			trans	22.3	159.4	136.2	-73.9	-176.5	-179.1	0	0	123.8
144	P	41.2	Very low	30.1	Very low	106 Å²	106	132.8 Å²	132.8	69%	0.688	74%	0.741	S	S	*	*			cis	-131.3	-139.5	-13.4	29.9	-3.8	0	0	0	111.4
145	E	28.6	Very low	29.7	Very low	160 Å²	160	126.2 Å²	126.2	75%	0.748	74%	0.738	S	S	*	*			cis	-161.4	175	0.8	-143.6	-168.2	132.8	0	0	113.4
146	V	28.6	Very low	29.4	Very low	105 Å²	105	122.7 Å²	122.7	64%	0.636	74%	0.741	S	S	*	*			trans	11.1	129.3	163.1	-76.9	0	0	0	0	126.4
147	S	26	Very low	29.4	Very low	106 Å²	106	124.1 Å²	124.1	74%	0.741	75%	0.75	S	S	*	*				67.6	154.9	124.7	81	0	0	0	0	121.9
148	S	27.3	Very low	29.2	Very low	97 Å²	97	122.6 Å²	122.6	68%	0.678	76%	0.757	S	S	*	*			cis	-172	147.4	-20.8	51.2	0	0	0	0	112.3
149	L	27.1	Very low	29.2	Very low	145 Å²	145	126.8 Å²	126.8	76%	0.759	76%	0.763	S	S	*	*			trans	62.2	137.6	148.2	-66	173.2	0	0	0	122.7
150	H	27.8	Very low	29.1	Very low	155 Å²	155	131.9 Å²	131.9	72%	0.718	77%	0.769	S	S	*	*			trans	62.4	99.6	151.3	-61.2	-48.2	0	0	0	122.6
151	S	27.7	Very low	29	Very low	103 Å²	103	128.9 Å²	128.9	72%	0.72	77%	0.768	S	S	*	*				66.4	146.2	114	-50.6	0	0	0	0	123.5
152	E	25.6	Very low	29.1	Very low	184 Å²	184	129.5 Å²	129.5	86%	0.86	77%	0.771	S	S	*	*			trans	79	99.9	156.4	-46.8	-143.8	144.1	0	0	121.2
153	S	27.6	Very low	29.1	Very low	113 Å²	113	129.7 Å²	129.7	79%	0.79	77%	0.772	S	S	*	*				64.9	125.5	121.4	-155.3	0	0	0	0	123
154	S	29.4	Very low	29.2	Very low	125 Å²	125	126.4 Å²	126.4	87%	0.874	77%	0.765	S	S	*	*			trans	74.2	165.2	150.5	-157.7	0	0	0	0	118.4
155	G	26.3	Very low	28.7	Very low	70 Å²	70	130.2 Å²	130.2	72%	0.722	77%	0.773	S	S	*	*			trans	130.9	16.9	151	0	0	0	0	0	122.2
156	G	26.7	Very low	28.8	Very low	70 Å²	70	130.3 Å²	130.3	72%	0.722	78%	0.779	S	S	*	*			trans	53.5	117.7	146.1	0	0	0	0	0	122.9
157	S	30.4	Very low	28.9	Very low	134 Å²	134	130.4 Å²	130.4	94%	0.937	78%	0.784	S	S	*	*			trans	83.5	121.5	142.5	79.8	0	0	0	0	121.1
158	G	30.7	Very low	29.1	Very low	80 Å²	80	133.5 Å²	133.5	83%	0.825	79%	0.793	S	S	*	*			trans	-166	95.5	170.5	0	0	0	0	0	111
159	R	30.2	Very low	29	Very low	232 Å²	232	134.8 Å²	134.8	88%	0.875	80%	0.8	S	S	*	*			trans	-71.7	158.2	179.9	-64.9	176.6	178.6	-147.5	-2.6	110.4
160	R	30.6	Very low	29.3	Very low	226 Å²	226	132.9 Å²	132.9	85%	0.853	80%	0.799	S	S	*	*			cis	-171.5	149.2	-1.1	146.8	-164.7	-84.9	-171.8	-8.8	104.9
161	G	27.2	Very low	29.3	Very low	61 Å²	61	132.3 Å²	132.3	63%	0.629	80%	0.801	S	S	*	*			cis	160.4	-164.3	0.9	0	0	0	0	0	110.8
162	L	32.3	Very low	29.3	Very low	170 Å²	170	137.8 Å²	137.8	89%	0.89	81%	0.806	S	S	*	*			trans	75.3	136.5	-179.2	-48.1	173.4	0	0	0	114.3
163	S	31	Very low	29.4	Very low	100 Å²	100	134.5 Å²	134.5	70%	0.699	80%	0.798	S	S	*	*			cis	-146.5	122.6	4.4	48.4	0	0	0	0	109.5
164	T	31.4	Very low	29.3	Very low	113 Å²	113	134.6 Å²	134.6	69%	0.693	80%	0.798	S	S	*	*				67.3	128.8	72.7	65	0	0	0	0	113.2
165	E	30.3	Very low	29.1	Very low	186 Å²	186	133.5 Å²	133.5	87%	0.869	79%	0.79	S	S	*	*			cis	-141.1	164.8	18	-65.2	-176.7	139.4	0	0	114.6
166	D	30.6	Very low	29	Very low	161 Å²	161	136.9 Å²	136.9	86%	0.861	79%	0.792	S	S	*	*			trans	-96.7	-162.9	-175.9	-57.5	-79.4	0	0	0	112.3
167	S	30.5	Very low	29.1	Very low	108 Å²	108	139.4 Å²	139.4	76%	0.755	80%	0.798	S	S	*	*			cis	-163.3	155.3	14.1	60.6	0	0	0	0	114.2
168	D	31	Very low	29	Very low	171 Å²	171	138 Å²	138	91%	0.914	80%	0.795	S	S	*	*			trans	-101.2	152	149.7	-103.8	-41.4	0	0	0	109
169	C	25.8	Very low	28.9	Very low	124 Å²	124	139 Å²	139	84%	0.838	80%	0.796	S	S	*	*			trans	-158.2	145.8	167.8	-166.1	0	0	0	0	113.4
170	S	31.4	Very low	28.8	Very low	104 Å²	104	135.7 Å²	135.7	73%	0.727	79%	0.792	S	S	*	*			trans	-154	136.8	166.9	67	0	0	0	0	112.8
171	N	28	Very low	29.4	Very low	143 Å²	143	129.9 Å²	129.9	77%	0.765	78%	0.783	S	S	*	*			trans	-174.5	136.4	161.8	-95.4	-44.8	0	0	0	107.1
172	R	28.7	Very low	29.4	Very low	218 Å²	218	132.8 Å²	132.8	82%	0.823	78%	0.784	S	S	*	*				57.1	129.5	80.2	-65.6	-173.1	176.4	-120.7	1.7	112.5
173	T	27.4	Very low	29.2	Very low	115 Å²	115	131 Å²	131	71%	0.706	78%	0.775	S	S	*	*			cis	-162.6	162.8	18.1	-11.4	0	0	0	0	114.3
174	C	24.5	Very low	29	Very low	116 Å²	116	132 Å²	132	78%	0.784	78%	0.777	S	S	*	*			trans	79.8	133.3	150.5	-64.8	0	0	0	0	123.8
175	S	25.6	Very low	28.8	Very low	101 Å²	101	131.4 Å²	131.4	71%	0.706	78%	0.778	S	S	*	*			trans	83.4	103.6	140.7	-79	0	0	0	0	123.7
176	D	24.8	Very low	28.7	Very low	142 Å²	142	129.9 Å²	129.9	76%	0.759	78%	0.775	S	S	*	*				99.2	139.3	115.5	-74.7	-52	0	0	0	124.1
177	S	28	Very low	28.4	Very low	122 Å²	122	128.4 Å²	128.4	85%	0.853	77%	0.772	S	S	*	*			trans	72	130.2	156.1	-65	0	0	0	0	120.8
178	A	28.5	Very low	28.2	Very low	105 Å²	105	131.1 Å²	131.1	87%	0.868	78%	0.775	S	S	*	*			trans	-93.2	152.9	-179.4	0	0	0	0	0	113
179	A	28.7	Very low	28.7	Very low	102 Å²	102	127.5 Å²	127.5	84%	0.843	76%	0.76	S	S	*	*			trans	-153.3	134.2	153.7	0	0	0	0	0	111.3
180	M	28.7	Very low	28.6	Very low	162 Å²	162	130 Å²	130	80%	0.798	76%	0.759	S	S	*	*			trans	-90.1	175.6	155.5	-77.5	-75.6	-71.6	0	0	107.6
181	P	43.8	Very low	28.4	Very low	103 Å²	103	132.6 Å²	132.6	67%	0.669	76%	0.764	S	S	*	*			cis	-145.6	-174.8	17.8	47	-27.8	0	0	0	116.6
182	D	26	Very low	28.8	Very low	122 Å²	122	130.6 Å²	130.6	65%	0.652	76%	0.758	S	S	*	*				42.4	152	128.3	-66.7	9.8	0	0	0	122.8
183	L	28	Very low	28.6	Very low	132 Å²	132	127.9 Å²	127.9	69%	0.691	75%	0.753	S	S	*	*			cis	-164.1	174.6	1.8	-120.8	169.9	0	0	0	111.9
184	T	28.3	Very low	28.4	Very low	121 Å²	121	128.3 Å²	128.3	74%	0.742	75%	0.746	S	S	*	*			trans	68.4	148.4	158.6	47.6	0	0	0	0	118.8
185	S	26.7	Very low	28.3	Very low	102 Å²	102	131.3 Å²	131.3	71%	0.713	75%	0.747	S	S	*	*			cis	-146	143.6	29.3	42.2	0	0	0	0	116
186	L	28.6	Very low	28.3	Very low	154 Å²	154	130.1 Å²	130.1	81%	0.806	74%	0.738	S	S	*	*			trans	34.2	141.2	138.7	-47.1	176.6	0	0	0	119.7
187	T	24	Very low	28.2	Very low	130 Å²	130	131.4 Å²	131.4	80%	0.798	74%	0.739	S	S	*	*			cis	-159.2	158.7	36.5	-37.4	0	0	0	0	112.1
188	M	25.7	Very low	28.2	Very low	165 Å²	165	134.2 Å²	134.2	81%	0.813	73%	0.732	S	S	*	*			trans	-93.1	-167.1	170.9	-73.2	-77.1	-82.7	0	0	109.7
189	P	40.7	Very low	27.8	Very low	94 Å²	94	139 Å²	139	61%	0.61	73%	0.728	S	S	*	*			cis	-147.2	-177.6	9	31.3	-3.9	0	0	0	119.3
190	H	24.6	Very low	27.7	Very low	176 Å²	176	139.8 Å²	139.8	82%	0.815	73%	0.727	S	S	*	*			trans	92.4	136	152.6	-59.8	-51	0	0	0	123.1
191	I	26.1	Very low	27.6	Very low	160 Å²	160	138.6 Å²	138.6	82%	0.821	73%	0.729	S	S	*	*			trans	-99	170.1	164.5	-7.6	174.9	0	0	0	106.4
192	P	37.8	Very low	27.3	Very low	101 Å²	101	139.1 Å²	139.1	66%	0.656	73%	0.732	S	S	*	*			cis	-152.3	-167.7	34.3	44.5	-22.3	0	0	0	117.4
193	K	23.8	Very low	27.2	Very low	161 Å²	161	138.9 Å²	138.9	70%	0.7	73%	0.731	S	S	*	*			trans	66.8	162	150.5	-80.1	175.9	170.2	-84.6	0	117.3
194	E	22.9	Very low	27.1	Very low	123 Å²	123	140 Å²	140	58%	0.575	73%	0.73	S	S	*	*			cis	-159.1	171.2	-21.5	-126.1	160.9	-172.9	0	0	111
195	F	23.6	Very low	27	Very low	180 Å²	180	143.4 Å²	143.4	79%	0.789	74%	0.738	S	S	*	*			trans	47.9	136.1	157.9	-73.2	-68.7	0	0	0	124
196	S	24.3	Very low	26.9	Very low	75 Å²	75	141.5 Å²	141.5	52%	0.524	73%	0.734	S	S	.	*			trans	-52.8	151.7	164.5	48.2	0	0	0	0	116.5
197	H	24.4	Very low	26.8	Very low	170 Å²	170	143.1 Å²	143.1	79%	0.787	74%	0.735	S	S	*	*				178	167.8	104.3	-95.1	-56.2	0	0	0	115.6
198	Y	26	Very low	27.1	Very low	181 Å²	181	146.9 Å²	146.9	71%	0.71	74%	0.74	S	S	*	*			trans	67.1	88.5	159.2	-97.2	-106.3	0	0	0	121.9
199	R	21.8	Very low	27.2	Very low	205 Å²	205	143.7 Å²	143.7	77%	0.774	73%	0.734	S	S	*	*				49.4	93.2	104.8	-169.3	-160.4	-150.7	172.8	7.7	119.1
200	S	25.6	Very low	26.7	Very low	119 Å²	119	149.9 Å²	149.9	83%	0.832	75%	0.745	S	S	*	*				-171.2	133.4	129.4	58	0	0	0	0	115
201	V	26.3	Very low	27.3	Very low	137 Å²	137	147 Å²	147	83%	0.83	74%	0.74	S	S	*	*			trans	-104.2	140.7	161.6	178.5	0	0	0	0	104.4
202	P	37.7	Very low	27.6	Very low	114 Å²	114	151 Å²	151	74%	0.74	75%	0.745	S	S	*	*				-156.5	170.4	61.1	44.6	-23.4	0	0	0	121.1
203	D	23.5	Very low	27.3	Very low	116 Å²	116	150 Å²	150	62%	0.62	75%	0.746	S	S	*	*			trans	69.4	104.9	143.9	-98.8	32.7	0	0	0	125.2
204	K	27.1	Very low	28	Very low	155 Å²	155	150.5 Å²	150.5	67%	0.674	75%	0.748	S	S	*	*				54.2	106.9	123	-60.8	-176.1	-169.5	78.7	0	120.7
205	Q	25.5	Very low	28.7	Very low	193 Å²	193	148.6 Å²	148.6	90%	0.902	74%	0.742	S	S	*	*				169.3	147.5	114.2	-92.5	168.1	71.6	0	0	110.2
206	G	24.7	Very low	29	Very low	62 Å²	62	149.3 Å²	149.3	64%	0.639	75%	0.745	S	S	*	*			cis	161.6	163.9	-10.4	0	0	0	0	0	113.3
207	K	27.7	Very low	29.8	Very low	189 Å²	189	152.1 Å²	152.1	82%	0.822	75%	0.753	S	S	*	*			trans	72.8	127.4	169	-51	166.8	-176.1	167	0	118.2
208	F	29.1	Very low	30.2	Very low	208 Å²	208	152.8 Å²	152.8	91%	0.912	75%	0.754	S	S	*	*				-157.5	169.7	108.9	-108.2	-72	0	0	0	112.3
209	S	27	Very low	30.5	Very low	98 Å²	98	154.2 Å²	154.2	69%	0.685	76%	0.758	S	S	*	*			trans	-34.9	151	-174.5	-133.6	0	0	0	0	118.8
210	R	31.6	Very low	31.1	Very low	224 Å²	224	152.1 Å²	152.1	85%	0.845	76%	0.759	S	S	*	*			cis	65	143.4	32.6	-68	-165.9	168.4	177.2	-3.7	114.6
211	T	37.5	Very low	31.4	Very low	116 Å²	116	153.7 Å²	153.7	71%	0.712	75%	0.753	S	S	*	*			cis	-172.6	158.6	-5.2	20	0	0	0	0	109.7
212	R	30.8	Very low	31.8	Very low	244 Å²	244	153.2 Å²	153.2	92%	0.921	75%	0.751	S	S	*	*			trans	-149.9	129.9	130.8	-101.7	171.5	-179.8	173	-0.4	107.6
213	A	33	Very low	31.6	Very low	81 Å²	81	154.5 Å²	154.5	67%	0.669	75%	0.751	S	S	*	*			cis	80.5	149	29.8	0	0	0	0	0	113.1
214	K	38.8	Very low	31.9	Very low	170 Å²	170	159.2 Å²	159.2	74%	0.739	76%	0.76	S	S	*	*			cis	-160.8	170.1	-7.4	-122.6	-178.9	172.5	-75.5	0	107.4
215	D	36.8	Very low	32.2	Very low	83 Å²	83	156.8 Å²	156.8	44%	0.444	76%	0.762	S	S	.	*			cis	-126.1	-118.9	2.4	-149.2	-9.6	0	0	0	112.3
216	F	30.4	Very low	32.4	Very low	195 Å²	195	157.8 Å²	157.8	86%	0.855	76%	0.763	S	S	*	*			cis	-143.5	-169.9	-1.8	-109.7	-56.2	0	0	0	110.7
217	L	39.8	Very low	32.5	Very low	134 Å²	134	157.6 Å²	157.6	70%	0.702	76%	0.762	S	S	*	*				-159.8	136.6	-128.4	-153.3	178.5	0	0	0	114.4
218	K	32.7	Very low	32.6	Very low	185 Å²	185	155.8 Å²	155.8	80%	0.804	77%	0.767	S	S	*	*			trans	-156.7	113.8	150.9	-140.8	172.6	-173.4	176.1	0	114.2
219	R	33.9	Very low	32.5	Very low	210 Å²	210	150.7 Å²	150.7	79%	0.792	76%	0.757	S	S	*	*			trans	33.5	126.8	153.1	-56.4	-179	177.5	156.8	-0	119.1
220	M	32.8	Very low	32.6	Very low	162 Å²	162	151.7 Å²	151.7	80%	0.798	76%	0.759	S	S	*	*				54.2	142.2	59.4	-69.3	-177.8	59.7	0	0	113.5
221	E	33.4	Very low	32.5	Very low	151 Å²	151	151.8 Å²	151.8	71%	0.706	76%	0.759	S	S	*	*			cis	-155.4	148.9	32.6	-168.9	155.5	-142.5	0	0	110.1
222	T	33.8	Very low	32.1	Very low	128 Å²	128	151.9 Å²	151.9	79%	0.785	76%	0.755	S	S	*	*				-178.3	152.5	97.5	29.9	0	0	0	0	114.8
223	L	33.7	Very low	32.1	Very low	141 Å²	141	150.7 Å²	150.7	74%	0.738	75%	0.751	S	S	*	*			trans	-4.1	133.8	160.6	-51.6	172.8	0	0	0	119.2
224	R	30.3	Very low	32	Very low	215 Å²	215	156.6 Å²	156.6	81%	0.811	76%	0.761	S	S	*	*			cis	97.2	108.1	33.9	-175.2	-134.9	-68.2	-94.7	2.7	114.7
225	S	32.1	Very low	31.5	Very low	103 Å²	103	154.7 Å²	154.7	72%	0.72	76%	0.764	S	S	*	*				155	152.2	121.3	63.2	0	0	0	0	116.4
226	K	30.9	Very low	31	Very low	214 Å²	214	158.9 Å²	158.9	93%	0.93	79%	0.786	S	S	*	*			trans	55	142.7	162.7	-69.2	178	175.3	178.8	0	119.8
227	G	26.9	Very low	30.9	Very low	59 Å²	59	155.5 Å²	155.5	61%	0.608	78%	0.78	S	S	*	*			cis	162.4	145.9	-12.5	0	0	0	0	0	115.1
228	T	28.9	Very low	30.4	Very low	150 Å²	150	156.2 Å²	156.2	92%	0.92	78%	0.783	S	S	*	*			trans	59.8	161.2	163.2	46.4	0	0	0	0	120.5
229	S	27.6	Very low	30.2	Very low	101 Å²	101	152.8 Å²	152.8	71%	0.706	78%	0.783	S	S	*	*			cis	174.6	168.2	-40.7	-169.4	0	0	0	0	109
230	V	28.9	Very low	30.1	Very low	119 Å²	119	148.1 Å²	148.1	72%	0.721	78%	0.783	S	S	*	*			trans	81.6	118.6	160.1	-176.3	0	0	0	0	119.5
231	R	30.6	Very low	30.3	Very low	226 Å²	226	146.4 Å²	146.4	85%	0.853	78%	0.783	S	S	*	*			trans	37.1	162.2	137.8	-66	176.3	168	-176.4	-0.7	121.9
232	D	28.8	Very low	29.9	Very low	119 Å²	119	145.6 Å²	145.6	64%	0.636	79%	0.788	S	S	*	*			cis	-148	-175.5	4.6	-138.7	-55	0	0	0	112.9
233	R	30.2	Very low	29.7	Very low	218 Å²	218	148.2 Å²	148.2	82%	0.823	79%	0.794	S	S	*	*			trans	-62.4	145.1	173.3	-57.8	150.7	154.6	-176.1	-8.1	113.6
234	K	30.1	Very low	29.4	Very low	206 Å²	206	149.7 Å²	149.7	90%	0.896	80%	0.797	S	S	*	*				-179.3	159	100.1	-99	177.8	-179.6	-179.6	0	113.2
235	T	28.4	Very low	29.2	Very low	130 Å²	130	146.4 Å²	146.4	80%	0.798	79%	0.791	S	S	*	*			trans	-83.6	148.7	172.3	34.4	0	0	0	0	112.4
236	L	27	Very low	29.1	Very low	171 Å²	171	148.3 Å²	148.3	90%	0.895	79%	0.789	S	S	*	*				-164	176.6	126.4	-108	164.9	0	0	0	111.2
237	V	28.8	Very low	29	Very low	123 Å²	123	143.2 Å²	143.2	75%	0.745	79%	0.786	S	S	*	*			trans	-122.2	166.2	-163	-173.7	0	0	0	0	110
238	I	28.2	Very low	29.2	Very low	149 Å²	149	148.5 Å²	148.5	76%	0.764	80%	0.795	S	S	*	*			trans	125.2	143.8	150.6	-65.8	166.2	0	0	0	114.8
239	S	29.1	Very low	29.3	Very low	113 Å²	113	146.1 Å²	146.1	79%	0.79	79%	0.79	S	S	*	*			trans	79.9	148	164.6	65.1	0	0	0	0	119.4
240	S	31.4	Very low	29.6	Very low	113 Å²	113	148.7 Å²	148.7	79%	0.79	80%	0.795	S	S	*	*			trans	-114.1	-159.6	-173.9	-45.1	0	0	0	0	110.3
241	P	36.5	Very low	29.7	Very low	125 Å²	125	151.2 Å²	151.2	81%	0.812	80%	0.797	S	S	*	*			trans	-81.5	161.5	-133.2	38.6	-39.4	0	0	0	115.7
242	V	26.7	Very low	29.8	Very low	134 Å²	134	146 Å²	146	81%	0.812	79%	0.79	S	S	*	*			trans	-123.6	137.1	165	177	0	0	0	0	108.8
243	M	29.6	Very low	29.8	Very low	184 Å²	184	147.8 Å²	147.8	91%	0.906	80%	0.799	S	S	*	*			trans	-94.3	133.2	168.6	-65.7	-168.3	-58.4	0	0	110.6
244	Q	26.8	Very low	29.7	Very low	172 Å²	172	146 Å²	146	80%	0.804	80%	0.8	S	S	*	*			trans	-156.5	103.5	158.7	-149.5	159.4	20.2	0	0	106.6
245	Q	26.6	Very low	29.7	Very low	146 Å²	146	140.8 Å²	140.8	68%	0.682	79%	0.787	S	S	*	*				89.6	98.9	73.2	-168	171.4	19.2	0	0	113
246	E	29.7	Very low	29.7	Very low	143 Å²	143	141.1 Å²	141.1	67%	0.668	79%	0.789	S	S	*	*			trans	51.1	138.1	138.5	-57.2	177.6	107.6	0	0	123.1
247	A	28.8	Very low	29.7	Very low	106 Å²	106	141.2 Å²	141.2	88%	0.876	79%	0.785	S	S	*	*			trans	-136.9	140.6	143.2	0	0	0	0	0	108.6
248	Q	29.6	Very low	29.7	Very low	171 Å²	171	142.1 Å²	142.1	80%	0.799	78%	0.784	S	S	*	*			trans	-104.5	149.6	-163.9	-61.1	169.8	-20.5	0	0	113.7
249	A	32.3	Very low	29.6	Very low	99 Å²	99	140.3 Å²	140.3	82%	0.818	78%	0.78	S	S	*	*			trans	-157.7	104.3	152.8	0	0	0	0	0	113.1
250	L	33.5	Very low	29.5	Very low	155 Å²	155	142.6 Å²	142.6	81%	0.812	78%	0.783	S	S	*	*			trans	2.1	146	143.9	-60.5	173.3	0	0	0	118.4
251	K	31.3	Very low	29.4	Very low	173 Å²	173	140.7 Å²	140.7	75%	0.752	78%	0.782	S	S	*	*			cis	-170.6	157.7	42.2	-136.1	152.3	-173.4	178.1	0	113
252	T	33.5	Very low	28.9	Very low	115 Å²	115	142.6 Å²	142.6	71%	0.706	79%	0.785	S	S	*	*			trans	53	106	159.4	43.9	0	0	0	0	118.5
253	L	27.8	Very low	29	Very low	157 Å²	157	140.9 Å²	140.9	82%	0.822	79%	0.785	S	S	*	*				63.7	119.1	78.3	-63.1	171.3	0	0	0	112.4
254	H	28.9	Very low	28.8	Very low	182 Å²	182	136 Å²	136	84%	0.843	78%	0.781	S	S	*	*				-143.7	157	63.6	-145.7	-82.7	0	0	0	114.4
255	C	28.3	Very low	28.8	Very low	95 Å²	95	132.3 Å²	132.3	64%	0.642	78%	0.78	S	S	*	*			trans	-108.9	159.9	174.5	-52.2	0	0	0	0	111.6
256	V	30.1	Very low	29.5	Very low	137 Å²	137	130.4 Å²	130.4	83%	0.83	78%	0.781	S	S	*	*				-148.3	146.5	122.8	-160.4	0	0	0	0	108
257	E	25.4	Very low	29.2	Very low	174 Å²	174	132.3 Å²	132.3	81%	0.813	79%	0.79	S	S	*	*			trans	-86.1	-172.6	170.4	-62.1	161.2	124.5	0	0	109.7
258	I	29.1	Very low	29.1	Very low	141 Å²	141	134.7 Å²	134.7	72%	0.723	79%	0.787	S	S	*	*				178.7	128.7	74.9	-86.1	-174	0	0	0	110
259	V	27.4	Very low	29.6	Very low	112 Å²	112	132.1 Å²	132.1	68%	0.679	79%	0.785	S	S	*	*			trans	49.8	120.1	136.5	-175.4	0	0	0	0	123.3
260	N	26.5	Very low	29.3	Very low	160 Å²	160	133.1 Å²	133.1	86%	0.856	79%	0.786	S	S	*	*			trans	45.6	154.4	137.4	-51.3	-4.4	0	0	0	125.3
261	G	28.7	Very low	28.9	Very low	74 Å²	74	129.5 Å²	129.5	76%	0.763	79%	0.786	S	S	*	*			trans	113.3	106.9	172	0	0	0	0	0	110.9
262	D	26.3	Very low	28.7	Very low	165 Å²	165	132.2 Å²	132.2	88%	0.882	79%	0.792	S	S	*	*			cis	84.7	135.9	31.8	-159.1	26.4	0	0	0	115.7
263	A	27.6	Very low	28.2	Very low	97 Å²	97	133.4 Å²	133.4	80%	0.802	79%	0.792	S	S	*	*			trans	58.4	143.7	-178.4	0	0	0	0	0	119.1
264	G	26.6	Very low	28.2	Very low	81 Å²	81	132.9 Å²	132.9	84%	0.835	79%	0.79	S	S	*	*			trans	133.5	81.4	158.7	0	0	0	0	0	118.4
265	A	27.1	Very low	28.1	Very low	95 Å²	95	129 Å²	129	79%	0.785	78%	0.783	S	S	*	*			trans	-92.5	168	141.7	0	0	0	0	0	107.6
266	P	40.2	Very low	28.8	Very low	106 Å²	106	129.7 Å²	129.7	69%	0.688	79%	0.786	S	S	*	*			cis	-147.7	-159.3	25.1	44.2	-22.2	0	0	0	116.3
267	E	24.6	Very low	28.8	Very low	183 Å²	183	132 Å²	132	86%	0.855	79%	0.788	S	S	*	*			trans	86.8	130.2	149.6	-82.3	172.4	-159.6	0	0	123.4
268	L	26.9	Very low	29	Very low	156 Å²	156	129.6 Å²	129.6	82%	0.817	79%	0.79	S	S	*	*			trans	-83.2	161.3	155.8	-94.6	97.7	0	0	0	108.5
269	P	38.7	Very low	29	Very low	118 Å²	118	125.9 Å²	125.9	77%	0.766	79%	0.787	S	S	*	*				-159.4	169.4	58.5	42.3	-20.1	0	0	0	120.8
270	S	26.3	Very low	29.5	Very low	120 Å²	120	126.2 Å²	126.2	84%	0.839	79%	0.794	S	S	*	*			trans	36.3	130.8	140.3	-158.9	0	0	0	0	122.3
271	G	25.9	Very low	29.7	Very low	79 Å²	79	127.5 Å²	127.5	81%	0.814	80%	0.795	S	S	*	*			trans	179.3	97	166	0	0	0	0	0	116.2
272	R	25.9	Very low	29.7	Very low	229 Å²	229	127.8 Å²	127.8	86%	0.864	80%	0.798	S	S	*	*			trans	-69.6	158	-177.9	-71.1	176.3	166.9	-177.5	-4.1	115.8
273	I	24.6	Very low	30.1	Very low	141 Å²	141	124.9 Å²	124.9	72%	0.723	79%	0.791	S	S	*	*			trans	102.8	125.6	131	-94.1	161.6	0	0	0	122.2
274	L	26.8	Very low	30.2	Very low	146 Å²	146	124.7 Å²	124.7	76%	0.764	78%	0.783	S	S	*	*			trans	68.2	112	156.6	-70.2	168.5	0	0	0	123.9
275	S	28	Very low	30.4	Very low	101 Å²	101	128.2 Å²	128.2	71%	0.706	78%	0.778	S	S	*	*				27.1	153	108.2	-50.9	0	0	0	0	121
276	P	41.3	Very low	30.6	Very low	109 Å²	109	128.5 Å²	128.5	71%	0.708	77%	0.774	S	S	*	*			cis	-152.4	-173.6	35.6	45.8	-25.6	0	0	0	119.2
277	Q	30.8	Very low	30.1	Very low	186 Å²	186	129.4 Å²	129.4	87%	0.869	78%	0.782	S	S	*	*			trans	67.5	149.7	163.4	-67.5	176.9	4.9	0	0	117.5
278	S	30.1	Very low	30.2	Very low	122 Å²	122	124 Å²	124	85%	0.853	78%	0.776	S	S	*	*			cis	-171.2	157.8	-21.6	-166.1	0	0	0	0	107.5
279	G	29.1	Very low	30.3	Very low	63 Å²	63	121.6 Å²	121.6	65%	0.649	77%	0.772	S	S	*	*			cis	154.9	161.5	-6.4	0	0	0	0	0	112.2
280	S	37.4	Very low	29.7	Very low	120 Å²	120	122 Å²	122	84%	0.839	77%	0.773	S	S	*	*			trans	72.4	151.5	171.8	-108.5	0	0	0	0	118.6
281	E	30.4	Very low	29.8	Very low	187 Å²	187	122.8 Å²	122.8	87%	0.874	77%	0.772	S	S	*	*			cis	-128.1	158.6	1.3	-58	-176.8	136.8	0	0	109.6
282	G	29.2	Very low	29.7	Very low	79 Å²	79	124.3 Å²	124.3	81%	0.814	77%	0.771	S	S	*	*			cis	115	126.9	7.7	0	0	0	0	0	111.3
283	S	33.6	Very low	30	Very low	105 Å²	105	119.8 Å²	119.8	73%	0.734	77%	0.769	S	S	*	*			cis	-145.7	-164.6	-3.4	67.2	0	0	0	0	108.1
284	S	31.1	Very low	30.5	Very low	92 Å²	92	119.2 Å²	119.2	64%	0.643	77%	0.774	S	S	*	*			cis	-141.2	179.5	11	79.2	0	0	0	0	109.7
285	H	30.7	Very low	30.4	Very low	156 Å²	156	116.9 Å²	116.9	72%	0.722	77%	0.77	S	S	*	*			cis	87.4	137.9	16.4	-31.7	-41.4	0	0	0	117.2
286	S	30.4	Very low	30.5	Very low	100 Å²	100	118.6 Å²	118.6	70%	0.699	77%	0.77	S	S	*	*			cis	179.3	145.9	-26.4	50.9	0	0	0	0	112.6
287	S	29.8	Very low	29.7	Very low	125 Å²	125	121 Å²	121	87%	0.874	77%	0.77	S	S	*	*			trans	57.3	148.9	138.8	-56.8	0	0	0	0	124.6
288	G	26.8	Very low	29.6	Very low	70 Å²	70	117.6 Å²	117.6	72%	0.722	75%	0.754	S	S	*	*			trans	94.6	157.6	160.1	0	0	0	0	0	115.8
289	S	29	Very low	29.3	Very low	106 Å²	106	121.3 Å²	121.3	74%	0.741	75%	0.749	S	S	*	*			cis	163	158.7	-29.5	45.9	0	0	0	0	107.8
290	T	26.4	Very low	29.1	Very low	126 Å²	126	128.5 Å²	128.5	77%	0.773	76%	0.762	S	S	*	*			trans	62	112	164.8	51.4	0	0	0	0	120.9
291	V	27.7	Very low	28.4	Very low	136 Å²	136	126.3 Å²	126.3	82%	0.824	75%	0.751	S	S	*	*			trans	42.1	116.7	130.7	-169.2	0	0	0	0	120
292	S	25	Very low	28.3	Very low	112 Å²	112	125.6 Å²	125.6	78%	0.783	75%	0.748	S	S	*	*				173.9	128.9	120.3	-76.1	0	0	0	0	113.3
293	T	32.1	Very low	28.2	Very low	134 Å²	134	132.9 Å²	132.9	82%	0.822	75%	0.75	S	S	*	*			trans	-85.9	149.5	149	32.2	0	0	0	0	108.7
294	P	35.7	Very low	27.9	Very low	128 Å²	128	131.7 Å²	131.7	83%	0.831	75%	0.747	S	S	*	*				-141.7	-155.3	91	39.1	-22.2	0	0	0	112.7
295	S	24.7	Very low	27.8	Very low	97 Å²	97	132.2 Å²	132.2	68%	0.678	74%	0.743	S	S	*	*			trans	-134.7	163.4	-144.5	65	0	0	0	0	116.4
296	L	28.5	Very low	27.7	Very low	138 Å²	138	132.8 Å²	132.8	72%	0.723	75%	0.745	S	S	*	*			trans	74.7	133.6	149.4	-73.1	162.3	0	0	0	121.4
297	K	25.9	Very low	27.6	Very low	160 Å²	160	135.5 Å²	135.5	70%	0.696	74%	0.744	S	S	*	*			trans	77.8	141.1	137.7	-76.8	-178.4	170.9	174.4	0	119.6
298	E	27.5	Very low	27.4	Very low	113 Å²	113	141.2 Å²	141.2	53%	0.528	75%	0.747	S	S	.	*			cis	-166.9	167.2	-12.7	-134.8	172.2	-165.4	0	0	113.3
299	R	25.5	Very low	27.3	Very low	201 Å²	201	143.8 Å²	143.8	76%	0.758	75%	0.754	S	S	*	*			trans	57.5	124.2	147.8	-79.7	156.2	176.7	159.5	-10.5	121.1
300	K	23.5	Very low	27.2	Very low	214 Å²	214	142.2 Å²	142.2	93%	0.93	76%	0.755	S	S	*	*				-152.9	152	110.5	-116.3	170.3	-175.4	173.7	0	113.7
301	A	22.4	Very low	27.4	Very low	73 Å²	73	143.6 Å²	143.6	60%	0.603	75%	0.754	S	S	*	*			trans	-162.8	174.9	-174.7	0	0	0	0	0	108.9
302	H	29.3	Very low	27.3	Very low	173 Å²	173	146.7 Å²	146.7	80%	0.801	75%	0.752	S	S	*	*			cis	-117.9	-135.1	3.2	-55	-105	0	0	0	109.8	A304	H302-A304 HydrophobicContact CB-CB 4.33Å
303	R	25.9	Very low	27.5	Very low	231 Å²	231	148 Å²	148	87%	0.872	75%	0.75	S	S	*	*			cis	-141.5	152.9	17.1	-63.6	-178.8	-179.7	-165.7	1.6	109.1
304	A	29.3	Very low	27.7	Very low	80 Å²	80	149.4 Å²	149.4	66%	0.661	75%	0.747	S	S	*	*			cis	84.5	109.8	9.1	0	0	0	0	0	119	H302	H302-A304 HydrophobicContact CB-CB 4.33Å
305	D	28.3	Very low	27.8	Very low	104 Å²	104	150.8 Å²	150.8	56%	0.556	75%	0.747	S	S	*	*			trans	-176.3	153.9	149.9	-114.6	-42.5	0	0	0	109.2	K307	D305-K307 VanDerWaalsContact CG-NZ 3.31Å; D305-K307 WeakPolarHBondContact OD1-CE 3.36Å; D305-K307 IonicContact OD1-NZ 3.42Å; D305-K307 PolarHBondContact OD1-NZ 2.71Å; D305-K307 IonicContact OD2-NZ 3.38Å; D305-K307 PolarHBondContact OD2-NZ 2.8Å; D305-K307 VanDerWaalsContact OD2-NZ 3.12Å
306	H	27.5	Very low	28.1	Very low	167 Å²	167	153.9 Å²	153.9	77%	0.773	76%	0.756	S	S	*	*			cis	-137.2	-176.1	11.9	-84.7	-30	0	0	0	111.8
307	K	28.7	Very low	28.1	Very low	157 Å²	157	153.6 Å²	153.6	68%	0.683	76%	0.755	S	S	*	*			cis	163.9	61.6	-43.5	-170.8	167.9	-81.7	162.6	0	113.9	D305	D305-K307 VanDerWaalsContact CG-NZ 3.31Å; D305-K307 WeakPolarHBondContact OD1-CE 3.36Å; D305-K307 IonicContact OD1-NZ 3.42Å; D305-K307 PolarHBondContact OD1-NZ 2.71Å; D305-K307 IonicContact OD2-NZ 3.38Å; D305-K307 PolarHBondContact OD2-NZ 2.8Å; D305-K307 VanDerWaalsContact OD2-NZ 3.12Å
308	R	26.8	Very low	28.2	Very low	245 Å²	245	153.6 Å²	153.6	93%	0.925	76%	0.761	S	S	*	*			trans	-155.9	138.2	168	-111.1	175.9	175.7	163.6	0	111
309	S	24.8	Very low	28.1	Very low	125 Å²	125	156.9 Å²	156.9	87%	0.874	77%	0.774	S	S	*	*			cis	109	114.8	8.6	-169.7	0	0	0	0	115.2
310	G	26	Very low	28.2	Very low	73 Å²	73	152.7 Å²	152.7	75%	0.753	78%	0.775	S	S	*	*			trans	176.8	157.5	178	0	0	0	0	0	111.4
311	M	30.8	Very low	28.2	Very low	155 Å²	155	145.7 Å²	145.7	76%	0.764	76%	0.764	S	S	*	*			trans	-143.5	174.3	-170.5	-73.8	173.2	57.7	0	0	113.1
312	Y	26.2	Very low	28.3	Very low	201 Å²	201	150.2 Å²	150.2	79%	0.788	78%	0.778	S	S	*	*			trans	79.7	145.9	170.2	-65.6	-73.5	0	0	0	116.4
313	L	28.4	Very low	28.2	Very low	140 Å²	140	151.3 Å²	151.3	73%	0.733	78%	0.783	S	S	*	*			cis	-154.4	-178.3	-10.9	-177.2	50.8	0	0	0	109.5
314	E	35.4	Very low	28.1	Very low	162 Å²	162	148.2 Å²	148.2	76%	0.757	78%	0.781	S	S	*	*			trans	-70.6	178.6	173.3	-63.8	155.9	125.2	0	0	114.5
315	D	39.2	Very low	27.9	Very low	157 Å²	157	151 Å²	151	84%	0.84	78%	0.784	S	S	*	*			trans	57.5	76.1	164.3	-68.2	-10.2	0	0	0	119.7
316	L	30.7	Very low	27.7	Very low	163 Å²	163	155 Å²	155	85%	0.853	80%	0.797	S	S	*	*			trans	-167.4	178.4	144.3	-111.8	163.4	0	0	0	113.3
317	D	28.6	Very low	27.7	Very low	131 Å²	131	153.6 Å²	153.6	70%	0.701	80%	0.8	S	S	*	*			trans	-44.2	149	-172.2	-59.9	-43.9	0	0	0	117.3
318	I	27.5	Very low	27.5	Very low	161 Å²	161	150.4 Å²	150.4	83%	0.826	80%	0.802	S	S	*	*				-167.5	139	109.8	-96.4	155.3	0	0	0	112.6
319	F	25.8	Very low	27.5	Very low	182 Å²	182	146.5 Å²	146.5	80%	0.798	80%	0.795	S	S	*	*			trans	-24.1	133.8	177.9	-67.1	-94.6	0	0	0	120.2
320	S	26.7	Very low	27.4	Very low	113 Å²	113	149.5 Å²	149.5	79%	0.79	80%	0.795	S	S	*	*				9.7	119.4	124.8	-45.2	0	0	0	0	116.2
321	G	23.8	Very low	27.4	Very low	67 Å²	67	152.5 Å²	152.5	69%	0.691	79%	0.793	S	S	*	*			cis	105.5	105.7	15.2	0	0	0	0	0	111.2
322	N	25.2	Very low	27.2	Very low	168 Å²	168	156 Å²	156	90%	0.898	80%	0.798	S	S	*	*			trans	-177	104.7	159.1	-103.3	-26.1	0	0	0	111.7
323	Q	26.7	Very low	27.2	Very low	196 Å²	196	157.4 Å²	157.4	92%	0.916	80%	0.802	S	S	*	*			trans	158.5	100.6	139	-90.6	-176.6	36.8	0	0	111.1
324	M	23.7	Very low	27	Very low	166 Å²	166	157.1 Å²	157.1	82%	0.818	80%	0.801	S	S	*	*			trans	-164.1	101.5	150.6	-161.9	59.3	139.1	0	0	113.3
325	N	25.7	Very low	26.6	Very low	137 Å²	137	156.7 Å²	156.7	73%	0.733	80%	0.799	S	S	*	*			trans	62.4	165.3	155.1	-63.8	-24.9	0	0	0	121.1
326	K	24.4	Very low	25.8	Very low	189 Å²	189	158.3 Å²	158.3	82%	0.822	80%	0.799	S	S	*	*			trans	72.6	125.3	177.9	-56.7	-178.7	-177.5	-179.9	0	113.4
327	V	26.5	Very low	25.7	Very low	138 Å²	138	154.6 Å²	154.6	84%	0.836	79%	0.786	S	S	*	*			cis	62	87.1	30.9	-166.5	0	0	0	0	112.6
328	A	25.3	Very low	25.6	Very low	89 Å²	89	153.8 Å²	153.8	74%	0.736	79%	0.79	S	S	*	*			trans	64	128.4	168.9	0	0	0	0	0	115.9
329	E	25.6	Very low	25.5	Very low	164 Å²	164	154.6 Å²	154.6	77%	0.766	78%	0.784	S	S	*	*			cis	-139.1	146.2	-2	-60.4	-177.8	93.9	0	0	110.5
330	H	24.2	Very low	25.6	Very low	188 Å²	188	153.9 Å²	153.9	87%	0.87	78%	0.783	S	S	*	*			trans	-135.9	43.6	154.2	-151.4	72.9	0	0	0	112.3	R332	H330-R332 PolarHBondContact O-N 3.04Å
331	N	25.1	Very low	26.1	Very low	136 Å²	136	155.5 Å²	155.5	73%	0.727	78%	0.783	S	S	*	*			trans	-71.8	107.8	160.8	-91.5	-36.6	0	0	0	109
332	R	26.5	Very low	26.9	Very low	228 Å²	228	159 Å²	159	86%	0.86	79%	0.785	S	S	*	*			trans	155.1	100.8	131.4	-83.6	163.4	-175.9	-141.8	-0.1	112.4	H330	H330-R332 PolarHBondContact O-N 3.04Å
333	R	25.3	Very low	27.9	Very low	230 Å²	230	155.3 Å²	155.3	87%	0.868	77%	0.769	S	S	*	*				-162.2	155.1	117.3	-108.5	168	-164	155.1	8.1	111.2
334	N	24.9	Very low	28.5	Very low	135 Å²	135	149 Å²	149	72%	0.722	74%	0.744	S	S	*	*			trans	73.5	112.9	-174.1	-53.7	13.9	0	0	0	111
335	E	26.2	Very low	29.6	Very low	153 Å²	153	148.1 Å²	148.1	72%	0.715	74%	0.737	S	S	*	*			cis	62.5	123.4	40.5	-42	171.1	-176.2	0	0	110
336	F	24.5	Very low	30.9	Very low	191 Å²	191	146.1 Å²	146.1	84%	0.838	73%	0.725	S	S	*	*			cis	-126.5	163.7	25.2	-100.7	-104.9	0	0	0	114.8
337	C	27.4	Very low	32.2	Very low	85 Å²	85	140.3 Å²	140.3	57%	0.574	71%	0.707	S	S	*	*			trans	-102.4	149.6	153.6	-64.8	0	0	0	0	109.4	Y339	C337-Y339 HydrophobicContact CB-CD2 3.67Å; C337-Y339 HydrophobicContact CB-CE2 3.64Å; C337-Y339 HydrophobicContact CB-CG 4.2Å
338	S	26.1	Very low	33.3	Very low	113 Å²	113	143.7 Å²	143.7	79%	0.79	71%	0.71	S	S	*	*				-128.6	114	126.9	53.4	0	0	0	0	106
339	Y	25.4	Very low	34.5	Very low	178 Å²	178	146.7 Å²	146.7	70%	0.698	71%	0.714	S	S	*	*				60.3	123.8	61.8	-63.6	-58.4	0	0	0	111.2	C337	C337-Y339 HydrophobicContact CB-CD2 3.67Å; C337-Y339 HydrophobicContact CB-CE2 3.64Å; C337-Y339 HydrophobicContact CB-CG 4.2Å
340	E	28.4	Very low	35.7	Very low	167 Å²	167	141.8 Å²	141.8	78%	0.78	69%	0.691	S	S	*	*			cis	-137.1	123.9	-0.9	-83.9	112	154.8	0	0	111.6
341	D	37.6	Very low	37.1	Very low	147 Å²	147	140.4 Å²	140.4	79%	0.786	68%	0.683	S	S	*	*			trans	-160.2	74.4	159.7	-141.2	-13.8	0	0	0	111.9
342	L	39.7	Very low	37.9	Very low	140 Å²	140	139.9 Å²	139.9	73%	0.733	69%	0.687	S	S	*	*			trans	-136	103.3	179.3	-75.9	175.3	0	0	0	110.9	V344	L342-V344 PolarHBondContact O-N 3.07Å
343	V	47.5	Very low	39.1	Very low	92 Å²	92	133.1 Å²	133.1	56%	0.558	69%	0.688	S	S	*	*	S	Bend	trans	-69.9	-3	-165.9	-175.5	0	0	0	0	114.9	L364	V343-L364 HydrophobicContact CG1-CD1 4.28Å; V343-L364 HydrophobicContact CG2-CD1 4.18Å
344	V	38.6	Very low	40.6	Very low	64 Å²	64	126.6 Å²	126.6	39%	0.388	67%	0.674	S	S	.	*			trans	-134.6	106.7	175.2	-174.4	0	0	0	0	110.5	L342 I346 L359 I361	L342-V344 PolarHBondContact O-N 3.07Å; V344-I346 PolarHBondContact O-N 3.43Å; V344-L359 HydrophobicContact CG1-CB 4.19Å; V344-L359 HydrophobicContact CG1-CD1 4.09Å; V344-L359 HydrophobicContact CG1-CD2 4.35Å; V344-L359 HydrophobicContact CG1-CG 4.45Å; V344-I361 HydrophobicContact CG1-CG1 4.49Å; V344-I361 HydrophobicContact CG2-CD1 3.91Å; V344-I361 HydrophobicContact CG2-CG1 4.18Å
345	H	47.4	Very low	41.3	Very low	147 Å²	147	129.4 Å²	129.4	68%	0.681	68%	0.68	S	S	*	*			trans	-82.4	112.9	174	-66.8	-50.5	0	0	0	111.2
346	I	51.8	Low	42.4	Very low	94 Å²	94	123.8 Å²	123.8	48%	0.482	66%	0.657	S	S	.	*			trans	-68.3	129.6	167.4	-56.4	176.9	0	0	0	108.2	V344 K348 H350 L359	V344-I346 PolarHBondContact O-N 3.43Å; I346-K348 PolarHBondContact O-N 2.93Å; I346-H350 HydrophobicContact CG2-CB 3.52Å; I346-L359 HydrophobicContact CB-CD2 4.4Å; I346-L359 HydrophobicContact CG1-CD2 4.17Å
347	P	53.2	Low	43.6	Very low	68 Å²	68	125.1 Å²	125.1	44%	0.442	66%	0.662	S	S	.	*			trans	-54	133.2	174	-27.7	35.4	0	0	0	111.6	D349 H350	P347-D349 PolarHBondContact O-N 3.22Å; P347-H350 VanDerWaalsContact O-CB 3.31Å; P347-H350 WeakPolarHBondContact O-CB 3.43Å; P347-H350 PolarHBondContact O-N 2.86Å
348	K	49.3	Very low	44.8	Very low	208 Å²	208	124.5 Å²	124.5	90%	0.904	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.5	-18.7	-166.4	-65.7	-176.4	178.5	-179.9	0	114.8	I346	I346-K348 PolarHBondContact O-N 2.93Å
349	D	50.3	Low	45.5	Very low	153 Å²	153	123.1 Å²	123.1	82%	0.818	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.6	5.6	180	-50.4	-60.4	0	0	0	114	P347 K351	P347-D349 PolarHBondContact O-N 3.22Å; D349-K351 PolarHBondContact O-N 3.19Å
350	H	50.9	Low	46.2	Very low	61 Å²	61	119.6 Å²	119.6	28%	0.282	65%	0.648	S	S	.	*	P	Polyproline II helix	trans	-67.8	128.3	179.9	179.8	56.8	0	0	0	112.7	I346 P347 T354 P356	I346-H350 HydrophobicContact CG2-CB 3.52Å; P347-H350 VanDerWaalsContact O-CB 3.31Å; P347-H350 WeakPolarHBondContact O-CB 3.43Å; P347-H350 PolarHBondContact O-N 2.86Å; H350-T354 PolarHBondContact CE1-O 2.73Å; H350-P356 VanDerWaalsContact CE1-CD 3.5Å; H350-P356 WeakPolarHBondContact CE1-CD 3.48Å
351	K	54.1	Low	46.9	Very low	158 Å²	158	117.3 Å²	117.3	69%	0.687	64%	0.64	S	S	*	*	P	Polyproline II helix	trans	-97.5	124.9	178.3	-70.1	-172.1	176.9	-176.7	0	112	D349 T354	D349-K351 PolarHBondContact O-N 3.19Å; K351-T354 PolarHBondContact O-N 2.98Å; K351-T354 PolarHBondContact O-OG1 3.03Å
352	P	41.8	Very low	46.9	Very low	126 Å²	126	119 Å²	119	82%	0.818	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.7	141.7	171.8	-25.9	34.6	0	0	0	112.1
353	G	50.6	Low	46.5	Very low	86 Å²	86	117.7 Å²	117.7	89%	0.887	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	88.1	2.9	-176.1	0	0	0	0	0	115.1
354	T	56.3	Low	45.7	Very low	92 Å²	92	120.3 Å²	120.3	56%	0.564	66%	0.656	S	S	*	*	S	Bend	trans	-126	170.8	165.4	56.5	0	0	0	0	110.1	H350 K351	H350-T354 PolarHBondContact CE1-O 2.73Å; K351-T354 PolarHBondContact O-N 2.98Å; K351-T354 PolarHBondContact O-OG1 3.03Å
355	F	40.8	Very low	45.2	Very low	194 Å²	194	122.2 Å²	122.2	85%	0.851	67%	0.671	S	S	*	*			trans	-88.7	140.8	172.7	-117.3	-94.7	0	0	0	111	K357	F355-K357 PolarHBondContact O-N 3.11Å
356	P	49.3	Very low	44.6	Very low	35 Å²	35	121.7 Å²	121.7	23%	0.227	68%	0.681	C	S	.	*			trans	-62.6	129.1	169.6	-13.8	26	0	0	0	109.8	H350 A358 L359	H350-P356 VanDerWaalsContact CE1-CD 3.5Å; H350-P356 WeakPolarHBondContact CE1-CD 3.48Å; P356-A358 VanDerWaalsContact C-N 3.26Å; P356-A358 PolarHBondContact O-N 3.38Å; P356-L359 HydrophobicContact CB-CD2 4.06Å; P356-L359 HydrophobicContact CB-CG 4.3Å; P356-L359 HydrophobicContact CG-CD2 4.41Å
357	K	48.8	Very low	43.4	Very low	220 Å²	220	123.3 Å²	123.3	96%	0.957	70%	0.695	S	S	*	*	S	Bend	trans	-73	-13.4	-175.6	-80.2	-168.2	171.6	-174	0	115	F355	F355-K357 PolarHBondContact O-N 3.11Å
358	A	53.2	Low	42.3	Very low	72 Å²	72	128.2 Å²	128.2	60%	0.595	72%	0.718	S	S	*	*			trans	-161.2	157.5	164	0	0	0	0	0	109.7	P356	P356-A358 VanDerWaalsContact C-N 3.26Å; P356-A358 PolarHBondContact O-N 3.38Å
359	L	40	Very low	41.3	Very low	84 Å²	84	121.8 Å²	121.8	44%	0.44	71%	0.711	S	S	.	*			trans	-133.6	118.6	166.9	-64.9	173.3	0	0	0	107.5	V344 I346 P356	V344-L359 HydrophobicContact CG1-CB 4.19Å; V344-L359 HydrophobicContact CG1-CD1 4.09Å; V344-L359 HydrophobicContact CG1-CD2 4.35Å; V344-L359 HydrophobicContact CG1-CG 4.45Å; I346-L359 HydrophobicContact CB-CD2 4.4Å; I346-L359 HydrophobicContact CG1-CD2 4.17Å; P356-L359 HydrophobicContact CB-CD2 4.06Å; P356-L359 HydrophobicContact CB-CG 4.3Å; P356-L359 HydrophobicContact CG-CD2 4.41Å
360	S	40.8	Very low	40.3	Very low	103 Å²	103	119 Å²	119	72%	0.72	71%	0.709	S	S	*	*			trans	-98.5	124.8	179.7	51.6	0	0	0	0	110.4
361	I	42.3	Very low	39.2	Very low	120 Å²	120	123.7 Å²	123.7	62%	0.615	73%	0.734	S	S	*	*			trans	-115.8	89.9	-178.4	-47.5	175.3	0	0	0	108.5	V344	V344-I361 HydrophobicContact CG1-CG1 4.49Å; V344-I361 HydrophobicContact CG2-CD1 3.91Å; V344-I361 HydrophobicContact CG2-CG1 4.18Å
362	E	38.1	Very low	38	Very low	183 Å²	183	121.4 Å²	121.4	86%	0.855	73%	0.73	S	S	*	*			trans	-143	90.8	-178.6	-173.6	168	-139.2	0	0	111
363	S	30.9	Very low	37.2	Very low	112 Å²	112	125 Å²	125	78%	0.783	73%	0.727	S	S	*	*			trans	157	94.5	148	45.9	0	0	0	0	112.4
364	L	30.2	Very low	36	Very low	147 Å²	147	127.9 Å²	127.9	77%	0.77	72%	0.717	S	S	*	*			trans	-148.7	96.8	155.4	-83.4	-171.4	0	0	0	110.4	V343	V343-L364 HydrophobicContact CG1-CD1 4.28Å; V343-L364 HydrophobicContact CG2-CD1 4.18Å
365	S	29	Very low	34.6	Very low	103 Å²	103	129.9 Å²	129.9	72%	0.72	73%	0.729	S	S	*	*			trans	-144.3	113.4	167.5	57.7	0	0	0	0	109.1
366	P	34.3	Very low	33.9	Very low	136 Å²	136	124 Å²	124	88%	0.883	72%	0.724	S	S	*	*			trans	-79.2	124.9	-176.6	30.7	-33	0	0	0	110.8
367	T	28	Very low	32.7	Very low	128 Å²	128	127.1 Å²	127.1	79%	0.785	75%	0.746	S	S	*	*			trans	-141.8	127.3	166.8	-44.5	0	0	0	0	109.9
368	N	29.9	Very low	31.6	Very low	172 Å²	172	123.9 Å²	123.9	92%	0.92	74%	0.737	S	S	*	*			trans	-77.6	131.1	167	-73.8	-27.8	0	0	0	109.2
369	G	28	Very low	30.3	Very low	73 Å²	73	127.5 Å²	127.5	75%	0.753	74%	0.741	S	S	*	*			trans	142.9	80	165	0	0	0	0	0	117.5
370	A	28.1	Very low	30	Very low	94 Å²	94	130 Å²	130	78%	0.777	75%	0.754	S	S	*	*			trans	38.3	146.8	133.8	0	0	0	0	0	123.7
371	I	29.2	Very low	29.3	Very low	159 Å²	159	131.8 Å²	131.8	82%	0.815	76%	0.755	S	S	*	*			trans	100.4	142	156.1	-59.1	156.9	0	0	0	117.3
372	N	27.8	Very low	28.6	Very low	111 Å²	111	130.7 Å²	130.7	59%	0.594	76%	0.758	S	S	*	*			trans	-85.5	161.8	-166.4	-50.7	-19.3	0	0	0	113.9
373	W	25.8	Very low	28.4	Very low	202 Å²	202	127.7 Å²	127.7	77%	0.765	75%	0.753	S	S	*	*				169.4	134.3	94.3	-80.2	120.4	0	0	0	115
374	H	25.5	Very low	28.3	Very low	146 Å²	146	130.3 Å²	130.3	68%	0.676	76%	0.757	S	S	*	*			trans	41.9	121.4	143.2	-76.7	-46.3	0	0	0	125.6
375	T	26.9	Very low	28.7	Very low	133 Å²	133	131.2 Å²	131.2	82%	0.816	76%	0.761	S	S	*	*				77.5	139.6	120	-56	0	0	0	0	121.2
376	G	25.2	Very low	28.7	Very low	71 Å²	71	131.1 Å²	131.1	73%	0.732	76%	0.76	S	S	*	*			trans	140.5	66.7	142.1	0	0	0	0	0	120.6
377	S	25.2	Very low	28.3	Very low	100 Å²	100	130 Å²	130	70%	0.699	75%	0.754	S	S	*	*			trans	-54.1	169.1	171.2	-157.2	0	0	0	0	118.2
378	M	25.1	Very low	28.2	Very low	153 Å²	153	133.7 Å²	133.7	75%	0.754	75%	0.754	S	S	*	*			trans	82.2	158.8	161.2	-56.3	-73.3	116.4	0	0	120
379	H	26.6	Very low	28	Very low	148 Å²	148	133.2 Å²	133.2	69%	0.685	74%	0.743	S	S	*	*			cis	-172.3	146.4	-47.7	-130.8	-80.2	0	0	0	113.5
380	L	32.1	Very low	27.8	Very low	137 Å²	137	135.6 Å²	135.6	72%	0.717	74%	0.735	S	S	*	*			trans	66.6	164.3	146.1	-130.7	71.1	0	0	0	124.9
381	D	26	Very low	27.6	Very low	139 Å²	139	135.5 Å²	135.5	74%	0.743	73%	0.728	S	S	*	*			trans	77.4	152.4	154.3	-85.2	-22.6	0	0	0	120.7
382	S	27.8	Very low	27.6	Very low	97 Å²	97	138.9 Å²	138.9	68%	0.678	73%	0.731	S	S	*	*			cis	-150.1	-146.6	-15.8	-159.3	0	0	0	0	112.4
383	T	33.8	Very low	28.1	Very low	121 Å²	121	138.9 Å²	138.9	74%	0.742	74%	0.737	S	S	*	*			trans	-151.9	171.5	-160.4	61.2	0	0	0	0	114.6
384	L	30.7	Very low	28.1	Very low	167 Å²	167	134.9 Å²	134.9	87%	0.874	74%	0.735	S	S	*	*			trans	176	172.6	146.7	-99	171.4	0	0	0	115.6
385	I	37.9	Very low	28.2	Very low	166 Å²	166	133.5 Å²	133.5	85%	0.851	74%	0.736	S	S	*	*			trans	88	158.3	170.5	-54.2	179.2	0	0	0	116.1
386	S	29.1	Very low	28.1	Very low	100 Å²	100	135.2 Å²	135.2	70%	0.699	74%	0.735	S	S	*	*				-171.3	144.5	-92.3	-176.6	0	0	0	0	113.6
387	C	26.7	Very low	28.1	Very low	112 Å²	112	137.3 Å²	137.3	76%	0.757	74%	0.737	S	S	*	*			trans	62	147.6	175.2	-74	0	0	0	0	116.5
388	R	25.6	Very low	27.9	Very low	207 Å²	207	137.9 Å²	137.9	78%	0.781	74%	0.74	S	S	*	*			cis	-152.8	164.9	2.5	-117.5	167.4	179.1	155.8	1.5	105.3	E390	R388-E390 IonicContact NE-OE1 2.81Å
389	K	25.6	Very low	28	Very low	161 Å²	161	135.6 Å²	135.6	70%	0.7	74%	0.739	S	S	*	*			cis	-116.2	-115.2	18.6	-94.2	-163.8	159.5	-75.6	0	114.8
390	E	23.9	Very low	28	Very low	124 Å²	124	140 Å²	140	58%	0.579	75%	0.75	S	S	*	*				-162.2	154.1	-125.3	-78.6	154.1	-145.4	0	0	113.2	R388	R388-E390 IonicContact NE-OE1 2.81Å
391	S	23.9	Very low	27.7	Very low	91 Å²	91	137 Å²	137	64%	0.636	75%	0.752	S	S	*	*			cis	-170.4	152.3	-13.3	59.1	0	0	0	0	114.9
392	R	28.7	Very low	27.7	Very low	231 Å²	231	135 Å²	135	87%	0.872	75%	0.749	S	S	*	*			trans	76.1	145	140.6	-81	173	-177.5	-156.2	1.2	120.6
393	P	38.3	Very low	27.8	Very low	110 Å²	110	141 Å²	141	71%	0.714	76%	0.757	S	S	*	*			cis	-143.1	-166.9	-44.9	31.7	-9.4	0	0	0	113.7
394	V	26.3	Very low	27.3	Very low	119 Å²	119	142.1 Å²	142.1	72%	0.721	76%	0.757	S	S	*	*			trans	117	107.1	149	-176.7	0	0	0	0	117.2
395	T	27	Very low	27.3	Very low	116 Å²	116	138.9 Å²	138.9	71%	0.712	75%	0.748	S	S	*	*			trans	48.8	132.4	159.1	55.3	0	0	0	0	121.2
396	Q	25.9	Very low	26.9	Very low	170 Å²	170	136 Å²	136	79%	0.794	74%	0.738	S	S	*	*			cis	80.1	108.6	32.9	-171.6	-170.2	-0.7	0	0	114.8
397	C	23.9	Very low	26.9	Very low	114 Å²	114	140.4 Å²	140.4	77%	0.77	74%	0.74	S	S	*	*				179.1	165.7	100.7	-151.8	0	0	0	0	112.2
398	C	22	Very low	27.4	Very low	112 Å²	112	141.6 Å²	141.6	76%	0.757	74%	0.739	S	S	*	*			trans	-102.9	161.3	166.7	-54.1	0	0	0	0	110.6
399	S	25.9	Very low	27.8	Very low	106 Å²	106	137.5 Å²	137.5	74%	0.741	73%	0.733	S	S	*	*				148.5	164.9	126.9	66.1	0	0	0	0	114.3
400	R	27.7	Very low	28.1	Very low	240 Å²	240	136.5 Å²	136.5	91%	0.906	74%	0.74	S	S	*	*			trans	49.2	108.4	154.1	-76.4	177.4	157	-171.8	-6.6	118.9
401	G	24.8	Very low	28.6	Very low	73 Å²	73	136.1 Å²	136.1	75%	0.753	75%	0.749	S	S	*	*			trans	-75.7	-130.8	164.4	0	0	0	0	0	115.6
402	S	27	Very low	28.8	Very low	99 Å²	99	135.2 Å²	135.2	69%	0.692	75%	0.754	S	S	*	*			trans	82.2	128.7	-171.7	-153.7	0	0	0	0	115.7
403	R	28.6	Very low	28.9	Very low	221 Å²	221	129.9 Å²	129.9	83%	0.834	75%	0.752	S	S	*	*			trans	74.1	147.4	140.4	-85.8	175.9	-178.9	151.9	1.2	121.8
404	I	23.8	Very low	28.6	Very low	145 Å²	145	133.8 Å²	133.8	74%	0.744	76%	0.76	S	S	*	*			trans	20.2	116	161	38.3	57.2	0	0	0	122.4
405	S	31.1	Very low	28.9	Very low	99 Å²	99	135.3 Å²	135.3	69%	0.692	76%	0.763	S	S	*	*				69.1	141.9	103.4	-160.6	0	0	0	0	121.8
406	V	29.8	Very low	29	Very low	105 Å²	105	141 Å²	141	64%	0.636	77%	0.773	S	S	*	*			trans	68.6	138.3	155	155.3	0	0	0	0	114.8
407	Y	27.6	Very low	29.1	Very low	193 Å²	193	136.2 Å²	136.2	76%	0.757	76%	0.762	S	S	*	*			cis	-101.3	157.6	12.1	-77.2	-90.4	0	0	0	111.7
408	D	37.1	Very low	29.4	Very low	137 Å²	137	135.9 Å²	135.9	73%	0.733	76%	0.761	S	S	*	*				70.4	164.6	52.3	-149.4	-6.5	0	0	0	113.4
409	N	34.2	Very low	29.7	Very low	122 Å²	122	136.8 Å²	136.8	65%	0.652	76%	0.764	S	S	*	*			trans	83.8	69.6	-172.5	-48.2	-79.3	0	0	0	116.3
410	V	32.6	Very low	29.8	Very low	139 Å²	139	135.1 Å²	135.1	84%	0.842	76%	0.763	S	S	*	*			trans	-121.2	94.4	134.3	-178.6	0	0	0	0	107.7	G412	V410-G412 PolarHBondContact O-N 2.95Å
411	P	34.8	Very low	30.2	Very low	117 Å²	117	131.4 Å²	131.4	76%	0.76	76%	0.761	S	S	*	*			trans	-63.8	119.7	172.2	-18.7	32.3	0	0	0	109.4
412	G	28.2	Very low	30.5	Very low	72 Å²	72	135.8 Å²	135.8	74%	0.742	77%	0.766	S	S	*	*			trans	-91.4	159.8	172.4	0	0	0	0	0	112	V410	V410-G412 PolarHBondContact O-N 2.95Å
413	S	30.5	Very low	31.2	Very low	119 Å²	119	137.4 Å²	137.4	83%	0.832	77%	0.766	S	S	*	*			trans	-151.2	90.9	160.8	47	0	0	0	0	111.6	L415	S413-L415 PolarHBondContact O-N 3.37Å
414	H	32.6	Very low	31.6	Very low	191 Å²	191	133.2 Å²	133.2	88%	0.884	76%	0.76	S	S	*	*			trans	-64.3	121.2	138.2	-71.1	-81.2	0	0	0	106.6
415	L	31.7	Very low	32.2	Very low	151 Å²	151	134.1 Å²	134.1	79%	0.791	77%	0.766	S	S	*	*			trans	175.8	96.2	144	-98.1	169.9	0	0	0	109.7	S413	S413-L415 PolarHBondContact O-N 3.37Å
416	Y	28.6	Very low	32.9	Very low	237 Å²	237	137.9 Å²	137.9	93%	0.929	77%	0.772	S	S	*	*				-132.6	133.8	125.7	-132	-91.2	0	0	0	108.4
417	A	28.8	Very low	33.7	Very low	68 Å²	68	141.6 Å²	141.6	56%	0.562	78%	0.78	S	S	*	*			trans	-123.3	167.6	-179.9	0	0	0	0	0	109
418	S	30.1	Very low	34.2	Very low	107 Å²	107	140.8 Å²	140.8	75%	0.748	78%	0.783	S	S	*	*			trans	78.7	142.3	165.3	-163.8	0	0	0	0	118
419	T	28.8	Very low	34.8	Very low	132 Å²	132	141.8 Å²	141.8	81%	0.81	79%	0.788	S	S	*	*			trans	74.2	109.9	153.9	3	0	0	0	0	118.9
420	G	27.8	Very low	35.6	Very low	70 Å²	70	142.9 Å²	142.9	72%	0.722	79%	0.793	S	S	*	*				98.4	147.9	110.8	0	0	0	0	0	117.4
421	D	34.8	Very low	36.3	Very low	162 Å²	162	143.5 Å²	143.5	87%	0.866	79%	0.785	S	S	*	*			trans	-60.8	136.2	173.6	-42.4	-60.8	0	0	0	111.2
422	L	31.3	Very low	37.3	Very low	165 Å²	165	142.9 Å²	142.9	86%	0.864	78%	0.781	S	S	*	*				-160.4	161.7	119.8	-132.8	67.7	0	0	0	113.8
423	I	41.5	Very low	38.5	Very low	134 Å²	134	145.2 Å²	145.2	69%	0.687	77%	0.772	S	S	*	*			trans	-82.1	175.1	167.5	49.2	173.8	0	0	0	111.3
424	D	37.5	Very low	40	Very low	133 Å²	133	143.9 Å²	143.9	71%	0.711	76%	0.755	S	S	*	*			trans	69.7	89.5	164.9	-56.4	-13.9	0	0	0	118.6
425	L	36.3	Very low	41.6	Very low	164 Å²	164	140.3 Å²	140.3	86%	0.859	74%	0.743	S	S	*	*			trans	-126.6	94.6	133.6	-89.3	99.7	0	0	0	109.8
426	E	45.5	Very low	43.5	Very low	177 Å²	177	137.6 Å²	137.6	83%	0.827	73%	0.729	S	S	*	*			trans	-74.8	140.5	149.4	-70.7	-169.2	143.1	0	0	108.6
427	K	46.5	Very low	45.6	Very low	183 Å²	183	131.2 Å²	131.2	80%	0.796	71%	0.71	S	S	*	*			trans	74.9	103.7	-176	-48	165	-174.2	170.6	0	115
428	E	39.2	Very low	47.6	Very low	177 Å²	177	132.1 Å²	132.1	83%	0.827	71%	0.705	S	S	*	*				-168.2	162.6	113.9	-102.2	169.3	-162.6	0	0	109	L430	E428-L430 PolarHBondContact O-N 3.11Å
429	D	50.1	Low	49.6	Very low	157 Å²	157	133 Å²	133	84%	0.84	70%	0.701	S	S	*	*			trans	-75.9	114.3	-159.6	-61.8	-63.9	0	0	0	114.5
430	L	49.5	Very low	51.4	Low	145 Å²	145	133.1 Å²	133.1	76%	0.759	69%	0.692	S	S	*	*	S	Bend	trans	-80.4	144.7	159.6	-93.4	73.9	0	0	0	110.3	E428	E428-L430 PolarHBondContact O-N 3.11Å
431	F	47.4	Very low	53.6	Low	153 Å²	153	133.5 Å²	133.5	67%	0.671	68%	0.68	S	S	*	*			trans	73.6	56.7	178.7	-46.7	-74.2	0	0	0	117.5	H433 L434	F431-H433 PolarHBondContact O-N 2.9Å; F431-L434 HydrophobicContact CB-CB 4.16Å; F431-L434 PolarHBondContact O-N 3.11Å; F431-L434 VanDerWaalsContact O-N 3.14Å
432	P	56.8	Low	55.1	Low	104 Å²	104	130.1 Å²	130.1	68%	0.675	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.8	6.6	168.5	31.4	-38	0	0	0	115
433	H	53.8	Low	57.3	Low	121 Å²	121	123.7 Å²	123.7	56%	0.56	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.5	9.9	178.8	-62.9	-58.2	0	0	0	113	F431 D435 D436 I437	F431-H433 PolarHBondContact O-N 2.9Å; H433-D435 VanDerWaalsContact C-N 3.3Å; H433-D435 PolarHBondContact O-N 3.47Å; H433-D436 IonicContact CE1-OD2 3.64Å; H433-D436 IonicContact CG-OD2 2.66Å; H433-D436 IonicContact ND1-OD2 3.12Å; H433-D436 PolarHBondContact ND1-OD2 2.85Å; H433-D436 PolarHBondContact O-N 2.99Å; H433-I437 WeakPolarHBondContact O-CG1 3.37Å; H433-I437 PolarHBondContact O-N 3.15Å
434	L	61.8	Low	58.8	Low	90 Å²	90	121.7 Å²	121.7	47%	0.471	63%	0.625	S	S	.	*	H	α-helix	trans	-65.2	-38	177.2	-172.8	60.9	0	0	0	111.3	F431 I437 L438	F431-L434 HydrophobicContact CB-CB 4.16Å; F431-L434 PolarHBondContact O-N 3.11Å; F431-L434 VanDerWaalsContact O-N 3.14Å; L434-I437 PolarHBondContact O-N 3.4Å; L434-L438 HydrophobicContact CG-CD1 4.15Å; L434-L438 WeakPolarHBondContact O-CG 3.4Å; L434-L438 PolarHBondContact O-N 3.47Å
435	D	65.5	Low	60.2	Low	117 Å²	117	120.6 Å²	120.6	63%	0.626	62%	0.616	S	S	*	*	H	α-helix	trans	-67.8	-36.1	177.4	-64.7	-37.5	0	0	0	112.5	H433 I437 L438 L439	H433-D435 VanDerWaalsContact C-N 3.3Å; H433-D435 PolarHBondContact O-N 3.47Å; D435-I437 VanDerWaalsContact C-N 3.29Å; D435-I437 PolarHBondContact O-N 3.22Å; D435-L438 PolarHBondContact O-N 2.06Å; D435-L439 WeakPolarHBondContact O-CB 3.35Å; D435-L439 WeakPolarHBondContact O-CG 3.44Å; D435-L439 PolarHBondContact O-N 2.94Å
436	D	71.3	Confident	61.7	Low	93 Å²	93	119.2 Å²	119.2	50%	0.497	61%	0.605	S	S	.	*	H	α-helix	trans	-58.9	-42.1	172.3	-66.1	-44.9	0	0	0	111.1	H433 H440	H433-D436 IonicContact CE1-OD2 3.64Å; H433-D436 IonicContact CG-OD2 2.66Å; H433-D436 IonicContact ND1-OD2 3.12Å; H433-D436 PolarHBondContact ND1-OD2 2.85Å; H433-D436 PolarHBondContact O-N 2.99Å; D436-H440 PolarHBondContact O-N 2.9Å
437	I	72.9	Confident	63.1	Low	103 Å²	103	116 Å²	116	53%	0.528	59%	0.592	S	S	.	*	H	α-helix	trans	-68.6	-44.4	177.9	-65.1	166.1	0	0	0	110.6	H433 L434 D435 L439 H440 V441	H433-I437 WeakPolarHBondContact O-CG1 3.37Å; H433-I437 PolarHBondContact O-N 3.15Å; L434-I437 PolarHBondContact O-N 3.4Å; D435-I437 VanDerWaalsContact C-N 3.29Å; D435-I437 PolarHBondContact O-N 3.22Å; I437-L439 VanDerWaalsContact C-N 3.34Å; I437-L439 PolarHBondContact O-N 3.34Å; I437-H440 PolarHBondContact O-N 2.85Å; I437-V441 WeakPolarHBondContact O-CG2 3.27Å; I437-V441 PolarHBondContact O-N 2.86Å
438	L	70.8	Confident	64.3	Low	88 Å²	88	111.6 Å²	111.6	46%	0.461	58%	0.581	S	S	.	*	H	α-helix	trans	-65.8	-34.5	178.2	-71	169.9	0	0	0	112.6	L434 D435 N442	L434-L438 HydrophobicContact CG-CD1 4.15Å; L434-L438 WeakPolarHBondContact O-CG 3.4Å; L434-L438 PolarHBondContact O-N 3.47Å; D435-L438 PolarHBondContact O-N 2.06Å; L438-N442 WeakPolarHBondContact O-CB 3.47Å; L438-N442 PolarHBondContact O-N 2.82Å; L438-N442 PolarHBondContact O-ND2 3.16Å
439	L	72.9	Confident	65.6	Low	125 Å²	125	106.7 Å²	106.7	65%	0.654	56%	0.56	S	S	*	*	H	α-helix	trans	-63.9	-44.4	170.2	-85.8	162	0	0	0	111.5	D435 I437 N442 G443	D435-L439 WeakPolarHBondContact O-CB 3.35Å; D435-L439 WeakPolarHBondContact O-CG 3.44Å; D435-L439 PolarHBondContact O-N 2.94Å; I437-L439 VanDerWaalsContact C-N 3.34Å; I437-L439 PolarHBondContact O-N 3.34Å; L439-N442 PolarHBondContact O-N 2.97Å; L439-G443 PolarHBondContact O-N 3.06Å
440	H	66.4	Low	66.1	Low	134 Å²	134	105 Å²	105	62%	0.62	55%	0.547	S	S	*	.	H	α-helix	trans	-66	-40	179.5	-154.3	82.9	0	0	0	112.4	D436 I437 G443 L444	D436-H440 PolarHBondContact O-N 2.9Å; I437-H440 PolarHBondContact O-N 2.85Å; H440-G443 PolarHBondContact O-N 2.85Å; H440-L444 PolarHBondContact O-N 2.81Å; H440-L444 VanDerWaalsContact O-N 3.12Å
441	V	73.4	Confident	66.5	Low	79 Å²	79	106.9 Å²	106.9	48%	0.479	54%	0.544	S	S	.	.	H	α-helix	trans	-64.5	-42	174.5	172.5	0	0	0	0	111.4	I437 G443 L444 Q445	I437-V441 WeakPolarHBondContact O-CG2 3.27Å; I437-V441 PolarHBondContact O-N 2.86Å; V441-G443 VanDerWaalsContact C-N 3.34Å; V441-G443 PolarHBondContact O-N 2.72Å; V441-L444 PolarHBondContact O-N 2.71Å; V441-Q445 PolarHBondContact O-N 2.98Å
442	N	66.6	Low	67.1	Low	91 Å²	91	103 Å²	103	49%	0.487	54%	0.536	S	S	.	.	H	α-helix	trans	-63.5	-37.4	173.4	-88.6	-71.2	0	0	0	112.9	L438 L439 L444 Q445 Q446	L438-N442 WeakPolarHBondContact O-CB 3.47Å; L438-N442 PolarHBondContact O-N 2.82Å; L438-N442 PolarHBondContact O-ND2 3.16Å; L439-N442 PolarHBondContact O-N 2.97Å; N442-L444 VanDerWaalsContact C-N 3.33Å; N442-L444 PolarHBondContact O-N 2.91Å; N442-Q445 WeakPolarHBondContact O-CB 3.46Å; N442-Q445 PolarHBondContact O-N 3.17Å; N442-Q446 WeakPolarHBondContact O-CG 3.37Å; N442-Q446 PolarHBondContact O-N 3.29Å
443	G	77.6	Confident	67.2	Low	29 Å²	29	105.7 Å²	105.7	30%	0.299	54%	0.537	S	S	.	.	H	α-helix	trans	-60.1	-42.6	174.1	0	0	0	0	0	112.4	L439 H440 V441 Q446 I447	L439-G443 PolarHBondContact O-N 3.06Å; H440-G443 PolarHBondContact O-N 2.85Å; V441-G443 VanDerWaalsContact C-N 3.34Å; V441-G443 PolarHBondContact O-N 2.72Å; G443-Q446 PolarHBondContact O-N 2.88Å; G443-I447 WeakPolarHBondContact O-CG1 3.45Å; G443-I447 PolarHBondContact O-N 3.47Å; G443-I447 VanDerWaalsContact O-N 3.17Å
444	L	73.4	Confident	67.2	Low	93 Å²	93	105 Å²	105	49%	0.487	54%	0.538	S	S	.	.	H	α-helix	trans	-66	-40.9	174.8	-70.2	167.7	0	0	0	112.2	H440 V441 N442 Q446 I447 V448	H440-L444 PolarHBondContact O-N 2.81Å; H440-L444 VanDerWaalsContact O-N 3.12Å; V441-L444 PolarHBondContact O-N 2.71Å; N442-L444 VanDerWaalsContact C-N 3.33Å; N442-L444 PolarHBondContact O-N 2.91Å; L444-Q446 VanDerWaalsContact C-N 3.34Å; L444-Q446 PolarHBondContact O-N 2.81Å; L444-I447 PolarHBondContact O-N 3.09Å; L444-V448 WeakPolarHBondContact O-CG2 3.47Å; L444-V448 PolarHBondContact O-N 2.95Å
445	Q	66.3	Low	66.8	Low	110 Å²	110	105.5 Å²	105.5	51%	0.514	54%	0.544	S	S	.	.	H	α-helix	trans	-56.2	-46.9	174.6	-166.8	76.7	42.6	0	0	111.4	V441 N442 I447 V448 D449	V441-Q445 PolarHBondContact O-N 2.98Å; N442-Q445 WeakPolarHBondContact O-CB 3.46Å; N442-Q445 PolarHBondContact O-N 3.17Å; Q445-I447 PolarHBondContact O-N 3.46Å; Q445-V448 PolarHBondContact O-N 3.35Å; Q445-D449 PolarHBondContact O-N 2.8Å
446	Q	67.1	Low	65.7	Low	134 Å²	134	106.3 Å²	106.3	63%	0.626	55%	0.548	S	S	*	.	H	α-helix	trans	-65.3	-34.9	179.2	-69.6	173.6	19.7	0	0	113.1	N442 G443 L444 H450	N442-Q446 WeakPolarHBondContact O-CG 3.37Å; N442-Q446 PolarHBondContact O-N 3.29Å; G443-Q446 PolarHBondContact O-N 2.88Å; L444-Q446 VanDerWaalsContact C-N 3.34Å; L444-Q446 PolarHBondContact O-N 2.81Å; Q446-H450 WeakPolarHBondContact O-CB 3.44Å; Q446-H450 PolarHBondContact O-N 2.67Å
447	I	76.3	Confident	64.1	Low	109 Å²	109	108 Å²	108	56%	0.559	56%	0.564	S	S	*	*	H	α-helix	trans	-66	-41.9	174.8	-68.2	164	0	0	0	110.5	G443 L444 Q445 H450 W451	G443-I447 WeakPolarHBondContact O-CG1 3.45Å; G443-I447 PolarHBondContact O-N 3.47Å; G443-I447 VanDerWaalsContact O-N 3.17Å; L444-I447 PolarHBondContact O-N 3.09Å; Q445-I447 PolarHBondContact O-N 3.46Å; I447-H450 PolarHBondContact O-N 3.2Å; I447-W451 PolarHBondContact O-N 3.33Å
448	V	71.3	Confident	62.3	Low	91 Å²	91	109 Å²	109	55%	0.552	58%	0.575	S	S	*	*	H	α-helix	trans	-64.7	-43.9	176	173.1	0	0	0	0	111.3	L444 Q445 H450 W451 S452	L444-V448 WeakPolarHBondContact O-CG2 3.47Å; L444-V448 PolarHBondContact O-N 2.95Å; Q445-V448 PolarHBondContact O-N 3.35Å; V448-H450 VanDerWaalsContact C-N 3.32Å; V448-H450 PolarHBondContact O-N 2.84Å; V448-W451 PolarHBondContact O-N 2.73Å; V448-S452 WeakPolarHBondContact O-CB 3.41Å; V448-S452 PolarHBondContact O-N 2.81Å
449	D	65.5	Low	60.5	Low	75 Å²	75	108.5 Å²	108.5	40%	0.401	59%	0.591	S	S	.	*	H	α-helix	trans	-65.3	-33.8	176.7	-75.2	-19.3	0	0	0	112.7	Q445 K453	Q445-D449 PolarHBondContact O-N 2.8Å; D449-K453 WeakPolarHBondContact O-CG 3.35Å; D449-K453 PolarHBondContact O-N 2.8Å
450	H	61.9	Low	58.5	Low	120 Å²	120	111.4 Å²	111.4	56%	0.556	60%	0.601	S	S	*	*	H	α-helix	trans	-69.3	-41.3	173.3	-173	77.5	0	0	0	111.6	Q446 I447 V448 K453 N454	Q446-H450 WeakPolarHBondContact O-CB 3.44Å; Q446-H450 PolarHBondContact O-N 2.67Å; I447-H450 PolarHBondContact O-N 3.2Å; V448-H450 VanDerWaalsContact C-N 3.32Å; V448-H450 PolarHBondContact O-N 2.84Å; H450-K453 PolarHBondContact O-N 3.27Å; H450-N454 PolarHBondContact CD2-ND2 2.88Å; H450-N454 VanDerWaalsContact CD2-ND2 3.31Å; H450-N454 PolarHBondContact NE2-ND2 3.12Å; H450-N454 PolarHBondContact O-N 2.83Å; H450-N454 PolarHBondContact O-ND2 3.2Å
451	W	57	Low	56.8	Low	185 Å²	185	108.7 Å²	108.7	70%	0.701	61%	0.61	S	S	*	*	H	α-helix	trans	-63.9	-45	174.8	-127.9	73.7	0	0	0	111.8	I447 V448 K453 N454 V455	I447-W451 PolarHBondContact O-N 3.33Å; V448-W451 PolarHBondContact O-N 2.73Å; W451-K453 VanDerWaalsContact C-N 3.33Å; W451-K453 PolarHBondContact O-N 3.36Å; W451-N454 PolarHBondContact O-N 2.86Å; W451-N454 VanDerWaalsContact O-N 3.1Å; W451-V455 HydrophobicContact CE3-CG2 4.22Å; W451-V455 HydrophobicContact CZ3-CG2 4.44Å; W451-V455 WeakPolarHBondContact O-CG2 3.3Å; W451-V455 PolarHBondContact O-N 3.14Å
452	S	60.9	Low	54.6	Low	73 Å²	73	111.3 Å²	111.3	51%	0.51	63%	0.625	S	S	.	*	H	α-helix	trans	-53.1	-47.3	175.5	179.4	0	0	0	0	112.2	V448 N454 V455	V448-S452 WeakPolarHBondContact O-CB 3.41Å; V448-S452 PolarHBondContact O-N 2.81Å; S452-N454 VanDerWaalsContact C-N 3.3Å; S452-N454 PolarHBondContact O-N 2.91Å; S452-V455 PolarHBondContact O-N 3.12Å
453	K	59.2	Low	52.7	Low	159 Å²	159	114.8 Å²	114.8	69%	0.691	64%	0.641	S	S	*	*	H	α-helix	trans	-69.2	-22.7	179.1	-73.1	170.3	-178.4	171.5	0	114.4	D449 H450 W451	D449-K453 WeakPolarHBondContact O-CG 3.35Å; D449-K453 PolarHBondContact O-N 2.8Å; H450-K453 PolarHBondContact O-N 3.27Å; W451-K453 VanDerWaalsContact C-N 3.33Å; W451-K453 PolarHBondContact O-N 3.36Å
454	N	52.3	Low	50.3	Low	107 Å²	107	120.5 Å²	120.5	57%	0.572	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.8	-2.9	-179.3	-66.9	-14.6	0	0	0	113.8	H450 W451 S452	H450-N454 PolarHBondContact CD2-ND2 2.88Å; H450-N454 VanDerWaalsContact CD2-ND2 3.31Å; H450-N454 PolarHBondContact NE2-ND2 3.12Å; H450-N454 PolarHBondContact O-N 2.83Å; H450-N454 PolarHBondContact O-ND2 3.2Å; W451-N454 PolarHBondContact O-N 2.86Å; W451-N454 VanDerWaalsContact O-N 3.1Å; S452-N454 VanDerWaalsContact C-N 3.3Å; S452-N454 PolarHBondContact O-N 2.91Å
455	V	54.3	Low	48.1	Very low	101 Å²	101	121.6 Å²	121.6	61%	0.612	67%	0.67	S	S	*	*	S	Bend	trans	-102	-6.2	-175.5	171.1	0	0	0	0	113.1	W451 S452	W451-V455 HydrophobicContact CE3-CG2 4.22Å; W451-V455 HydrophobicContact CZ3-CG2 4.44Å; W451-V455 WeakPolarHBondContact O-CG2 3.3Å; W451-V455 PolarHBondContact O-N 3.14Å; S452-V455 PolarHBondContact O-N 3.12Å
456	L	41.7	Very low	46.2	Very low	133 Å²	133	122.7 Å²	122.7	70%	0.696	68%	0.679	S	S	*	*	S	Bend	trans	-113.7	133	178.2	-76.4	161.6	0	0	0	111.3	T458	L456-T458 PolarHBondContact O-N 2.79Å
457	P	37.7	Very low	44.3	Very low	129 Å²	129	120.6 Å²	120.6	84%	0.838	68%	0.68	S	S	*	*			trans	-72.7	123.4	177.8	-15.9	30.4	0	0	0	112.4	G459	P457-G459 PolarHBondContact O-N 2.98Å
458	T	35.5	Very low	42	Very low	125 Å²	125	122.1 Å²	122.1	77%	0.767	68%	0.684	S	S	*	*			trans	-73.4	120.6	174.1	-47.5	0	0	0	0	111.3	L456 E460	L456-T458 PolarHBondContact O-N 2.79Å; T458-E460 HydrophobicContact CG2-CG 3.98Å
459	G	32.6	Very low	40.1	Very low	77 Å²	77	124.5 Å²	124.5	79%	0.794	69%	0.687	S	S	*	*			trans	-109.5	110.7	161.8	0	0	0	0	0	110	P457	P457-G459 PolarHBondContact O-N 2.98Å
460	E	32.5	Very low	38.3	Very low	186 Å²	186	129.1 Å²	129.1	87%	0.869	71%	0.706	S	S	*	*			trans	-84.4	139.4	178.6	-63.8	-171.8	134.7	0	0	112	T458	T458-E460 HydrophobicContact CG2-CG 3.98Å
461	G	29	Very low	36.7	Very low	77 Å²	77	129.7 Å²	129.7	79%	0.794	71%	0.713	S	S	*	*			trans	-163.2	120	173.8	0	0	0	0	0	110.5
462	V	28.7	Very low	35.4	Very low	133 Å²	133	125.8 Å²	125.8	81%	0.806	71%	0.71	S	S	*	*			trans	-108.9	132.8	-163.3	174.3	0	0	0	0	112.7
463	M	27	Very low	33.8	Very low	164 Å²	164	128.5 Å²	128.5	81%	0.808	72%	0.723	S	S	*	*			trans	180	118	136.1	-98.6	-174.3	164.1	0	0	108.5
464	Q	26.9	Very low	32.1	Very low	149 Å²	149	131.4 Å²	131.4	70%	0.696	73%	0.73	S	S	*	*				79.8	109.4	73.7	-86.5	-157.6	-73.8	0	0	116.1
465	V	27.4	Very low	30.9	Very low	117 Å²	117	133 Å²	133	71%	0.709	74%	0.738	S	S	*	*			trans	70.8	135.7	134.3	179.4	0	0	0	0	116.3
466	D	25.2	Very low	29.5	Very low	133 Å²	133	136.3 Å²	136.3	71%	0.711	75%	0.747	S	S	*	*			cis	-147.7	168.2	23	-142.1	-24.9	0	0	0	114.8
467	S	27.9	Very low	28.8	Very low	90 Å²	90	135.7 Å²	135.7	63%	0.629	75%	0.754	S	S	*	*			trans	24	148.4	141.9	-67.5	0	0	0	0	122.9
468	E	28.6	Very low	28.2	Very low	141 Å²	141	134.6 Å²	134.6	66%	0.659	75%	0.749	S	S	*	*			cis	-163.9	158.1	5.7	-124.9	-171.7	172.4	0	0	112.2
469	K	30.9	Very low	27.9	Very low	141 Å²	141	133 Å²	133	61%	0.613	74%	0.742	S	S	*	*			trans	62.9	118.3	152.9	-70.4	168.2	-173.4	141.3	0	119.4
470	E	28	Very low	27.6	Very low	171 Å²	171	137.4 Å²	137.4	80%	0.799	74%	0.742	S	S	*	*				75.5	132.1	77.3	-72.3	176.6	163.2	0	0	113
471	D	28.1	Very low	27.2	Very low	132 Å²	132	134.6 Å²	134.6	71%	0.706	73%	0.732	S	S	*	*			cis	-156.1	165.4	17.7	-157.5	13.5	0	0	0	117
472	T	29.2	Very low	26.9	Very low	104 Å²	104	135.2 Å²	135.2	64%	0.638	72%	0.721	S	S	*	*			trans	55.4	119.8	154.8	35.3	0	0	0	0	125.3
473	V	27.8	Very low	27	Very low	129 Å²	129	137.2 Å²	137.2	78%	0.782	73%	0.726	S	S	*	*			trans	62.5	104.9	141	-176.1	0	0	0	0	118
474	R	22.6	Very low	26.9	Very low	221 Å²	221	135.4 Å²	135.4	83%	0.834	72%	0.719	S	S	*	*			cis	71.5	110.7	41.6	-140.3	-172.2	-166.8	-178.2	5.5	113.2
475	L	26.6	Very low	27	Very low	141 Å²	141	138.5 Å²	138.5	74%	0.738	73%	0.731	S	S	*	*				-169.3	162.9	80.6	-99.1	169	0	0	0	114.7
476	Q	26.4	Very low	27	Very low	170 Å²	170	142.2 Å²	142.2	79%	0.794	74%	0.741	S	S	*	*			trans	71.7	72.3	156.7	-72.7	173.1	-3.5	0	0	120.3
477	S	26.4	Very low	27.1	Very low	120 Å²	120	144.1 Å²	144.1	84%	0.839	75%	0.745	S	S	*	*				40.9	121.2	111.3	-166.8	0	0	0	0	120
478	S	25.4	Very low	27	Very low	106 Å²	106	146.8 Å²	146.8	74%	0.741	75%	0.753	S	S	*	*			trans	-146.6	107.5	153.9	-174.7	0	0	0	0	112.7
479	S	28.6	Very low	26.9	Very low	90 Å²	90	144.3 Å²	144.3	63%	0.629	75%	0.751	S	S	*	*			trans	65.4	166.6	144.9	66.5	0	0	0	0	121.4
480	Q	26.9	Very low	26.8	Very low	170 Å²	170	143.4 Å²	143.4	79%	0.794	76%	0.757	S	S	*	*			trans	77.1	149.6	158.9	-68.8	-169	-29.5	0	0	117.9
481	I	24.1	Very low	26.6	Very low	128 Å²	128	142.2 Å²	142.2	66%	0.656	76%	0.761	S	S	*	*			cis	-159.8	-175.9	-23.3	-120.5	170.1	0	0	0	108.9
482	T	23.5	Very low	26.7	Very low	90 Å²	90	144.4 Å²	144.4	55%	0.552	77%	0.767	S	S	*	*			trans	54.9	137.4	163.7	39.1	0	0	0	0	123.6	D484	T482-D484 VanDerWaalsContact CB-CG 3.49Å; T482-D484 WeakPolarHBondContact CB-OD2 3.45Å; T482-D484 VanDerWaalsContact CG2-OD1 3.24Å; T482-D484 WeakPolarHBondContact CG2-OD1 3.36Å; T482-D484 WeakPolarHBondContact CG2-OD2 3.15Å; T482-D484 PolarHBondContact OG1-OD2 3.1Å
483	L	29.6	Very low	26.5	Very low	175 Å²	175	145.4 Å²	145.4	92%	0.916	78%	0.778	S	S	*	*			trans	-90.1	121.1	132.2	-68.4	165.8	0	0	0	106.6
484	D	24.7	Very low	26.5	Very low	125 Å²	125	147.9 Å²	147.9	67%	0.668	78%	0.782	S	S	*	*			trans	-113.2	133.1	169.2	-70.4	-54	0	0	0	109	T482	T482-D484 VanDerWaalsContact CB-CG 3.49Å; T482-D484 WeakPolarHBondContact CB-OD2 3.45Å; T482-D484 VanDerWaalsContact CG2-OD1 3.24Å; T482-D484 WeakPolarHBondContact CG2-OD1 3.36Å; T482-D484 WeakPolarHBondContact CG2-OD2 3.15Å; T482-D484 PolarHBondContact OG1-OD2 3.1Å
485	F	29.2	Very low	26.7	Very low	215 Å²	215	144.2 Å²	144.2	94%	0.943	78%	0.784	S	S	*	*			trans	-119.5	109.7	172.2	-115.2	-89.2	0	0	0	106.5
486	E	26.5	Very low	26.6	Very low	195 Å²	195	143.8 Å²	143.8	91%	0.911	79%	0.787	S	S	*	*			trans	-104.8	148.2	173.6	-86.1	-164.6	136.7	0	0	112.1
487	E	27.8	Very low	27.8	Very low	173 Å²	173	141.9 Å²	141.9	81%	0.808	79%	0.789	S	S	*	*			trans	-120.9	141	-178.7	172.2	-177.6	-160.8	0	0	109.4
488	N	25.8	Very low	27.7	Very low	146 Å²	146	139.7 Å²	139.7	78%	0.781	79%	0.786	S	S	*	*			trans	-171.1	133.2	152.6	-92.6	-52.7	0	0	0	108.5
489	S	27.2	Very low	27.8	Very low	89 Å²	89	142.7 Å²	142.7	62%	0.622	79%	0.794	S	S	*	*			cis	84	134.9	36.1	104.7	0	0	0	0	113.4
490	V	27.8	Very low	27.9	Very low	121 Å²	121	141.5 Å²	141.5	73%	0.733	80%	0.796	S	S	*	*			cis	-146.1	148.9	-1.3	-175.7	0	0	0	0	110
491	T	25.2	Very low	28.1	Very low	147 Å²	147	139.9 Å²	139.9	90%	0.902	79%	0.793	S	S	*	*			trans	-146.9	137.2	151.7	23.4	0	0	0	0	113.3
492	E	29.6	Very low	28.5	Very low	178 Å²	178	143.8 Å²	143.8	83%	0.832	80%	0.799	S	S	*	*			trans	-93.4	155.5	178.5	-57	171.8	98	0	0	113.2
493	S	25.6	Very low	28.9	Very low	124 Å²	124	144.4 Å²	144.4	87%	0.867	80%	0.799	S	S	*	*			trans	-158.1	155.7	142.3	-29.6	0	0	0	0	112
494	Q	27.5	Very low	28.9	Very low	182 Å²	182	143.9 Å²	143.9	85%	0.85	79%	0.79	S	S	*	*			trans	-89.7	147.7	178.8	-57.9	163.3	-3.2	0	0	111.6
495	T	26.4	Very low	29.1	Very low	144 Å²	144	144 Å²	144	88%	0.883	79%	0.794	S	S	*	*				175.5	155.7	125.6	27.2	0	0	0	0	113.8
496	T	25.3	Very low	29	Very low	131 Å²	131	138.4 Å²	138.4	80%	0.804	78%	0.782	S	S	*	*			trans	-126.6	176.6	165.3	45.3	0	0	0	0	107.9
497	P	51.7	Low	29.1	Very low	130 Å²	130	137.3 Å²	137.3	84%	0.844	78%	0.782	S	S	*	*			cis	-128	-174.3	-39.9	36.2	-20.1	0	0	0	112.1
498	G	23.4	Very low	29.1	Very low	75 Å²	75	132.9 Å²	132.9	77%	0.773	78%	0.775	S	S	*	*			trans	119.8	162	165.4	0	0	0	0	0	114.5
499	D	27.3	Very low	29.2	Very low	168 Å²	168	134.6 Å²	134.6	90%	0.898	78%	0.778	S	S	*	*			cis	-157.1	148.9	-6.1	-177.3	32.1	0	0	0	111.1
500	G	30.9	Very low	29.2	Very low	65 Å²	65	136 Å²	136	67%	0.67	78%	0.783	S	S	*	*			trans	64	161.5	166.2	0	0	0	0	0	119
501	D	30.3	Very low	29.1	Very low	137 Å²	137	138.2 Å²	138.2	73%	0.733	79%	0.785	S	S	*	*			cis	-161.7	163.7	-23.5	-177.7	26.9	0	0	0	107.3
502	R	34.1	Very low	29.1	Very low	210 Å²	210	135.6 Å²	135.6	79%	0.792	77%	0.773	S	S	*	*			trans	75.3	149.8	164.3	-55.5	-166.2	171.4	-149.9	-7.5	120.1
503	D	30.5	Very low	28.8	Very low	103 Å²	103	132.9 Å²	132.9	55%	0.551	77%	0.768	S	S	*	*			cis	-169.5	153.7	-29.4	-164.3	-2.1	0	0	0	108.1
504	K	31.2	Very low	28.8	Very low	164 Å²	164	137.4 Å²	137.4	71%	0.713	77%	0.767	S	S	*	*			trans	59.5	123.9	169.2	-74.9	133.5	-170.7	152.9	0	117.8
505	V	27.9	Very low	28.8	Very low	127 Å²	127	136.9 Å²	136.9	77%	0.77	76%	0.762	S	S	*	*			cis	108.7	120.7	41	158.5	0	0	0	0	110.5
506	S	28.1	Very low	28.9	Very low	97 Å²	97	139.7 Å²	139.7	68%	0.678	76%	0.756	S	S	*	*			trans	-14.8	145.9	171	60.5	0	0	0	0	120.2
507	L	27.7	Very low	29.4	Very low	173 Å²	173	139.5 Å²	139.5	91%	0.906	75%	0.746	S	S	*	*				-157.6	164.6	107.9	-106.7	165.8	0	0	0	111
508	A	28.3	Very low	28.3	Very low	80 Å²	80	142.7 Å²	142.7	66%	0.661	74%	0.741	S	S	*	*			trans	-124.2	143.5	172.5	0	0	0	0	0	109
509	E	27.1	Very low	29.3	Very low	181 Å²	181	148.3 Å²	148.3	85%	0.846	74%	0.739	S	S	*	*			trans	179.9	121.9	139	-101.2	167.9	-172.6	0	0	111.8
510	T	27.2	Very low	29.7	Very low	119 Å²	119	146.4 Å²	146.4	73%	0.73	73%	0.729	S	S	*	*				49	141.9	120.5	-40	0	0	0	0	122.8
511	E	26	Very low	30.1	Very low	167 Å²	167	148.8 Å²	148.8	78%	0.78	74%	0.735	S	S	*	*			trans	77.2	89.4	153.9	-92.4	169.3	-142.8	0	0	124
512	S	25.1	Very low	30.2	Very low	93 Å²	93	145.7 Å²	145.7	65%	0.65	74%	0.736	S	S	*	*				72	157.3	111.1	89.2	0	0	0	0	124.4
513	T	23.5	Very low	30.3	Very low	120 Å²	120	143 Å²	143	74%	0.736	74%	0.742	S	S	*	*			trans	74.1	94.9	160.2	61.2	0	0	0	0	122.4
514	R	25.2	Very low	30.5	Very low	220 Å²	220	141.6 Å²	141.6	83%	0.83	75%	0.753	S	S	*	*				62.1	127.7	118.8	-83.5	-178.2	173.1	175.5	-0	122.9
515	F	27.2	Very low	30.8	Very low	171 Å²	171	138.3 Å²	138.3	75%	0.75	76%	0.756	S	S	*	*			trans	66.7	119.1	147.7	-69.1	-62.9	0	0	0	121
516	R	28.2	Very low	31.3	Very low	202 Å²	202	137.5 Å²	137.5	76%	0.762	76%	0.756	S	S	*	*				-168.4	144.5	94.2	-113.2	-177.6	174.6	-81.5	2.2	116.6
517	E	36.6	Very low	31.6	Very low	127 Å²	127	141.1 Å²	141.1	59%	0.593	77%	0.767	S	S	*	*			trans	-70.7	164.9	176	-45.8	149	113.5	0	0	115.2
518	R	28.5	Very low	32	Very low	198 Å²	198	139.4 Å²	139.4	75%	0.747	76%	0.763	S	S	*	*				-154.1	122.7	117.9	-96.7	157.4	-169.8	92.1	-13.7	107.8
519	R	44.3	Very low	32.2	Very low	193 Å²	193	144.7 Å²	144.7	73%	0.728	77%	0.766	S	S	*	*				68.9	142.4	81.6	-72.9	-172.4	178.7	-151.5	5	113.3
520	D	36.4	Very low	32.7	Very low	127 Å²	127	141.8 Å²	141.8	68%	0.679	76%	0.763	S	S	*	*			cis	-164.3	162.2	-5.1	-93	-28.1	0	0	0	106.2
521	S	38.8	Very low	33.2	Very low	115 Å²	115	143.8 Å²	143.8	80%	0.804	77%	0.769	S	S	*	*			cis	-172.3	168.8	-17.4	59.5	0	0	0	0	106.6
522	G	32.3	Very low	33.6	Very low	72 Å²	72	145.5 Å²	145.5	74%	0.742	77%	0.769	S	S	*	*			cis	160.6	152.2	-3.8	0	0	0	0	0	112.1
523	V	36.4	Very low	34.4	Very low	154 Å²	154	149.4 Å²	149.4	93%	0.933	78%	0.781	S	S	*	*			trans	-140.7	144	158.2	-163.7	0	0	0	0	107	A525	V523-A525 PolarHBondContact O-N 3.22Å
524	G	33.9	Very low	35	Very low	74 Å²	74	151.9 Å²	151.9	76%	0.763	78%	0.777	S	S	*	*			trans	-65.6	128.9	-161.5	0	0	0	0	0	116.4
525	A	37.9	Very low	35.5	Very low	94 Å²	94	150.6 Å²	150.6	78%	0.777	77%	0.772	S	S	*	*			trans	-80.8	114.8	167.7	0	0	0	0	0	110.6	V523	V523-A525 PolarHBondContact O-N 3.22Å
526	S	38.2	Very low	36.1	Very low	111 Å²	111	146.3 Å²	146.3	78%	0.776	76%	0.762	S	S	*	*			trans	-147.7	28.6	177.8	-68.1	0	0	0	0	113.7
527	L	34.2	Very low	36.5	Very low	173 Å²	173	139.6 Å²	139.6	91%	0.906	75%	0.746	S	S	*	*			trans	-117.3	1.2	178.3	-71.3	178.5	0	0	0	114.8	R529	L527-R529 VanDerWaalsContact C-N 3.3Å; L527-R529 PolarHBondContact O-N 3.49Å
528	T	35.9	Very low	36.6	Very low	136 Å²	136	139.8 Å²	139.8	83%	0.834	75%	0.745	S	S	*	*			trans	-79.4	75.3	170.3	50.1	0	0	0	0	111.2
529	R	33.5	Very low	37.1	Very low	191 Å²	191	135.4 Å²	135.4	72%	0.721	73%	0.733	S	S	*	*			trans	-98.6	129.4	154.2	-75.4	-169.5	178.6	-149.8	1.8	108.6	L527	L527-R529 VanDerWaalsContact C-N 3.3Å; L527-R529 PolarHBondContact O-N 3.49Å
530	P	37.1	Very low	37	Very low	120 Å²	120	128.7 Å²	128.7	78%	0.779	71%	0.711	S	S	*	*	S	Bend	trans	-64.9	152.2	165	30	-33.8	0	0	0	110
531	N	38.8	Very low	37	Very low	161 Å²	161	124.8 Å²	124.8	86%	0.861	69%	0.694	S	S	*	*			trans	39.6	88.3	171.3	-73.6	-17.5	0	0	0	117.5
532	R	34.8	Very low	37	Very low	204 Å²	204	123.2 Å²	123.2	77%	0.77	68%	0.676	S	S	*	*			trans	-128	109	148.5	-88.5	-167.5	164.2	-163.5	-6.7	111.3	R534	R532-R534 PolarHBondContact O-N 3.2Å
533	L	41	Very low	37.5	Very low	175 Å²	175	126 Å²	126	92%	0.916	66%	0.664	S	S	*	*			trans	12.1	86	157.4	-61.2	171.8	0	0	0	115.6	W535	L533-W535 PolarHBondContact O-N 3.44Å
534	R	36.9	Very low	37.8	Very low	171 Å²	171	122 Å²	122	65%	0.645	64%	0.638	S	S	*	*			trans	-67.4	127.1	161.1	-178.5	-178.2	-70.9	-153.5	2.1	107.6	R532	R532-R534 PolarHBondContact O-N 3.2Å
535	W	34.5	Very low	37.9	Very low	193 Å²	193	122.3 Å²	122.3	73%	0.731	63%	0.628	S	S	*	*			trans	-55.7	131	179.7	-73.8	80.2	0	0	0	111.2	L533 S537 F538	L533-W535 PolarHBondContact O-N 3.44Å; W535-S537 PolarHBondContact O-N 3.32Å; W535-S537 VanDerWaalsContact O-N 3.1Å; W535-F538 HydrophobicContact CB-CD2 3.98Å; W535-F538 HydrophobicContact CB-CE2 4.31Å; W535-F538 PolarHBondContact O-N 3.41Å; W535-F538 VanDerWaalsContact O-N 3.14Å
536	P	39.8	Very low	37.9	Very low	81 Å²	81	124.3 Å²	124.3	53%	0.526	62%	0.621	S	S	.	*	H	α-helix	trans	-55.8	-32.1	-175.6	-29.1	35.4	0	0	0	114.4	F538 Q539 I540	P536-F538 PolarHBondContact O-N 3.41Å; P536-F538 VanDerWaalsContact O-N 3.15Å; P536-Q539 PolarHBondContact O-N 3.21Å; P536-I540 HydrophobicContact CB-CD1 4.43Å; P536-I540 WeakPolarHBondContact O-CG1 3.1Å; P536-I540 PolarHBondContact O-N 2.84Å
537	S	37.8	Very low	38.1	Very low	62 Å²	62	122.9 Å²	122.9	43%	0.434	61%	0.611	S	S	.	*	H	α-helix	trans	-51.3	-36.7	177.4	46.8	0	0	0	0	114	W535 S541	W535-S537 PolarHBondContact O-N 3.32Å; W535-S537 VanDerWaalsContact O-N 3.1Å; S537-S541 PolarHBondContact O-N 2.87Å
538	F	36.8	Very low	38.6	Very low	130 Å²	130	121.8 Å²	121.8	57%	0.57	60%	0.603	S	S	*	*	H	α-helix	trans	-86.3	-12.3	178.6	-60.5	-73.9	0	0	0	114.2	W535 P536 S541 N542	W535-F538 HydrophobicContact CB-CD2 3.98Å; W535-F538 HydrophobicContact CB-CE2 4.31Å; W535-F538 PolarHBondContact O-N 3.41Å; W535-F538 VanDerWaalsContact O-N 3.14Å; P536-F538 PolarHBondContact O-N 3.41Å; P536-F538 VanDerWaalsContact O-N 3.15Å; F538-S541 WeakPolarHBondContact CA-OG 3.27Å; F538-S541 PolarHBondContact O-OG 2.79Å; F538-S541 VanDerWaalsContact O-OG 3.12Å; F538-N542 PolarHBondContact O-OD1 3.16Å
539	Q	39.8	Very low	39.4	Very low	106 Å²	106	117.5 Å²	117.5	50%	0.495	58%	0.582	S	S	.	*	H	α-helix	trans	-83.1	-39.9	167.6	-71.2	177.2	-41.5	0	0	110.3	P536 S541 N542 R543	P536-Q539 PolarHBondContact O-N 3.21Å; Q539-S541 PolarHBondContact O-N 3.26Å; Q539-N542 PolarHBondContact O-N 3.09Å; Q539-R543 PolarHBondContact O-N 3.1Å
540	I	41.5	Very low	40.7	Very low	52 Å²	52	110.7 Å²	110.7	27%	0.267	56%	0.563	S	S	.	*	H	α-helix	trans	-64.8	-38.2	178.4	-61.3	162.7	0	0	0	111.4	P536 N542 L544 V832	P536-I540 HydrophobicContact CB-CD1 4.43Å; P536-I540 WeakPolarHBondContact O-CG1 3.1Å; P536-I540 PolarHBondContact O-N 2.84Å; I540-N542 VanDerWaalsContact C-N 3.35Å; I540-L544 HydrophobicContact CG2-CD1 4.45Å; I540-L544 PolarHBondContact O-N 3.31Å; I540-V832 HydrophobicContact CG1-CG1 4.43Å; I540-V832 HydrophobicContact CG2-CG2 4.27Å
541	S	37.9	Very low	42.8	Very low	45 Å²	45	106 Å²	106	32%	0.315	53%	0.531	S	S	.	.	H	α-helix	trans	-61.1	-42.5	173.6	55	0	0	0	0	112.5	S537 F538 Q539 S545	S537-S541 PolarHBondContact O-N 2.87Å; F538-S541 WeakPolarHBondContact CA-OG 3.27Å; F538-S541 PolarHBondContact O-OG 2.79Å; F538-S541 VanDerWaalsContact O-OG 3.12Å; Q539-S541 PolarHBondContact O-N 3.26Å; S541-S545 PolarHBondContact O-N 2.83Å
542	N	38	Very low	45.2	Very low	83 Å²	83	100.4 Å²	100.4	44%	0.444	50%	0.5	S	S	.	.	H	α-helix	trans	-76.5	-37.6	-175.7	-71.5	34.6	0	0	0	111.5	F538 Q539 I540 L544 S545 H546	F538-N542 PolarHBondContact O-OD1 3.16Å; Q539-N542 PolarHBondContact O-N 3.09Å; I540-N542 VanDerWaalsContact C-N 3.35Å; N542-L544 VanDerWaalsContact C-N 3.29Å; N542-L544 PolarHBondContact O-N 3.49Å; N542-S545 PolarHBondContact O-N 2.87Å; N542-S545 PolarHBondContact O-OG 3.46Å; N542-H546 PolarHBondContact O-CD2 2.88Å
543	R	42.8	Very low	47.9	Very low	129 Å²	129	90.9 Å²	90.9	49%	0.487	46%	0.464	S	S	.	.	H	α-helix	trans	-58.4	-39.3	173.9	-74.5	-171.7	179.1	-108.6	-10.7	112.2	Q539 S545 H546 H837	Q539-R543 PolarHBondContact O-N 3.1Å; R543-S545 VanDerWaalsContact C-N 3.29Å; R543-S545 PolarHBondContact O-N 3.25Å; R543-H546 PolarHBondContact O-N 3.32Å; R543-H837 PolarHBondContact NH1-CD2 3.31Å; R543-H837 PolarHBondContact NH1-CE1 3.4Å; R543-H837 VanDerWaalsContact NH1-CE1 3.31Å; R543-H837 VanDerWaalsContact NH1-CG 3.33Å; R543-H837 PolarHBondContact NH1-ND1 3.47Å; R543-H837 PolarHBondContact NH1-NE2 3.26Å
544	L	43.1	Very low	50.2	Low	72 Å²	72	83.2 Å²	83.2	38%	0.377	43%	0.425	S	S	.	.	H	α-helix	trans	-71	-17.6	174.4	-73.1	167.5	0	0	0	114.3	I540 N542 H546 V824	I540-L544 HydrophobicContact CG2-CD1 4.45Å; I540-L544 PolarHBondContact O-N 3.31Å; N542-L544 VanDerWaalsContact C-N 3.29Å; N542-L544 PolarHBondContact O-N 3.49Å; L544-H546 VanDerWaalsContact C-N 3.34Å; L544-V824 HydrophobicContact CD2-CG1 4.23Å
545	S	35.9	Very low	52.8	Low	80 Å²	80	77 Å²	77	56%	0.559	41%	0.405	S	S	*	.	H	α-helix	trans	-82.2	-9.7	176.8	71.8	0	0	0	0	114.1	S541 N542 R543 S547	S541-S545 PolarHBondContact O-N 2.83Å; N542-S545 PolarHBondContact O-N 2.87Å; N542-S545 PolarHBondContact O-OG 3.46Å; R543-S545 VanDerWaalsContact C-N 3.29Å; R543-S545 PolarHBondContact O-N 3.25Å; S545-S547 PolarHBondContact O-N 2.8Å
546	H	37.4	Very low	55.5	Low	135 Å²	135	68 Å²	68	63%	0.625	37%	0.371	S	S	*	.	S	Bend	trans	-90.6	91.7	-177.7	-72.3	-64	0	0	0	112.8	N542 R543 L544	N542-H546 PolarHBondContact O-CD2 2.88Å; R543-H546 PolarHBondContact O-N 3.32Å; L544-H546 VanDerWaalsContact C-N 3.34Å
547	S	43.1	Very low	57.9	Low	81 Å²	81	64.2 Å²	64.2	57%	0.566	35%	0.346	S	S	*	.			trans	69	138.4	167.3	-170.9	0	0	0	0	117.4	S545 A549 S550	S545-S547 PolarHBondContact O-N 2.8Å; S547-A549 PolarHBondContact O-N 3.29Å; S547-A549 WeakPolarHBondContact OG-CB 3.19Å; S547-A549 PolarHBondContact OG-N 2.93Å; S547-S550 WeakPolarHBondContact O-CB 3.4Å; S547-S550 PolarHBondContact O-N 3.1Å; S547-S550 VanDerWaalsContact O-N 3.09Å; S547-S550 PolarHBondContact O-OG 2.63Å
548	M	44.5	Very low	60.5	Low	150 Å²	150	61.3 Å²	61.3	74%	0.739	33%	0.326	S	S	*	.	G	3₁₀ helix	trans	-64.2	-18.5	171.2	-55.4	-148.9	77.3	0	0	112.8	S550 L551	M548-S550 PolarHBondContact O-N 3.12Å; M548-S550 VanDerWaalsContact O-N 3.15Å; M548-L551 PolarHBondContact O-N 2.89Å; M548-L551 VanDerWaalsContact O-N 3.09Å
549	A	52.2	Low	62.9	Low	47 Å²	47	55.9 Å²	55.9	39%	0.388	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-57.7	-24.3	170.7	0	0	0	0	0	112.9	S547 L551 Q552 N555	S547-A549 PolarHBondContact O-N 3.29Å; S547-A549 WeakPolarHBondContact OG-CB 3.19Å; S547-A549 PolarHBondContact OG-N 2.93Å; A549-L551 PolarHBondContact O-N 3.47Å; A549-Q552 PolarHBondContact O-N 3.32Å; A549-N555 PolarHBondContact O-ND2 2.93Å
550	S	61.5	Low	65.3	Low	47 Å²	47	51.1 Å²	51.1	33%	0.329	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-61.5	-23.6	175.3	61.5	0	0	0	0	114	S547 M548 Q556	S547-S550 WeakPolarHBondContact O-CB 3.4Å; S547-S550 PolarHBondContact O-N 3.1Å; S547-S550 VanDerWaalsContact O-N 3.09Å; S547-S550 PolarHBondContact O-OG 2.63Å; M548-S550 PolarHBondContact O-N 3.12Å; M548-S550 VanDerWaalsContact O-N 3.15Å; S550-Q556 PolarHBondContact O-NE2 2.74Å
551	L	81.6	Confident	67.6	Low	22 Å²	22	48.7 Å²	48.7	12%	0.115	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-94.1	3	-178.6	-61.6	178.3	0	0	0	114	M548 A549 I819 H821 V824	M548-L551 PolarHBondContact O-N 2.89Å; M548-L551 VanDerWaalsContact O-N 3.09Å; A549-L551 PolarHBondContact O-N 3.47Å; L551-I819 WeakPolarHBondContact O-CB 3.38Å; L551-I819 WeakPolarHBondContact O-CD1 3.39Å; L551-I819 WeakPolarHBondContact O-CG1 3.47Å; L551-I819 PolarHBondContact O-N 3.37Å; L551-H821 HydrophobicContact CD1-CB 4.48Å; L551-V824 HydrophobicContact CD2-CG2 3.88Å
552	Q	88.3	Confident	70	Confident	43 Å²	43	47.6 Å²	47.6	20%	0.201	26%	0.264	C	S	.	.	B	Isolated β-bridge	trans	-72.8	137.3	173	-73.3	-70.5	-21	0	0	110.7	A549 T554 N555 Q556 F817 E818	A549-Q552 PolarHBondContact O-N 3.32Å; Q552-T554 PolarHBondContact O-N 3.01Å; Q552-T554 VanDerWaalsContact O-N 3.14Å; Q552-N555 PolarHBondContact O-N 2.79Å; Q552-Q556 PolarHBondContact O-NE2 2.89Å; Q552-F817 PolarHBondContact OE1-O 3.2Å; Q552-E818 VanDerWaalsContact NE2-CG 3.26Å
553	I	91.5	Very high	72.3	Confident	4 Å²	4	44.4 Å²	44.4	2%	0.021	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-55.6	-34.2	178	-70.2	167.3	0	0	0	111.3	N555 L561 M724 F817 I819 G1025	I553-N555 PolarHBondContact O-N 3.3Å; I553-N555 VanDerWaalsContact O-N 3.08Å; I553-L561 HydrophobicContact CG2-CD2 4.09Å; I553-M724 HydrophobicContact CD1-CG 4.44Å; I553-M724 HydrophobicContact CD1-SD 3.43Å; I553-M724 WeakPolarHBondContact CD1-SD 3.48Å; I553-M724 HydrophobicContact CG1-SD 3.6Å; I553-M724 VanDerWaalsContact CG1-SD 3.6Å; I553-F817 HydrophobicContact CD1-CB 4.29Å; I553-F817 WeakPolarHBondContact CD1-O 3.01Å; I553-F817 WeakPolarHBondContact CG1-O 3.43Å; I553-F817 PolarHBondContact N-O 2.72Å; I553-I819 HydrophobicContact CG1-CD1 4.46Å; I553-I819 HydrophobicContact CG1-CG1 3.96Å; I553-G1025 VanDerWaalsContact O-CA 3.29Å; I553-G1025 WeakPolarHBondContact O-CA 3.49Å
554	T	90.1	Very high	74.5	Confident	14 Å²	14	38.3 Å²	38.3	9%	0.086	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-60.6	-17.4	-179.9	51.7	0	0	0	0	114.5	Q552 P957 R959 K1024 G1025	Q552-T554 PolarHBondContact O-N 3.01Å; Q552-T554 VanDerWaalsContact O-N 3.14Å; T554-P957 HydrophobicContact CG2-CG 4.46Å; T554-R959 PolarHBondContact O-NH2 3.47Å; T554-K1024 CarbonylContact O-C 3.47Å; T554-G1025 PolarHBondContact O-N 3.47Å
555	N	89.9	Confident	76.8	Confident	42 Å²	42	36.3 Å²	36.3	23%	0.225	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-107.4	-0.3	-166.3	-62.7	8.2	0	0	0	113.3	A549 Q552 I553 V994 K1024	A549-N555 PolarHBondContact O-ND2 2.93Å; Q552-N555 PolarHBondContact O-N 2.79Å; I553-N555 PolarHBondContact O-N 3.3Å; I553-N555 VanDerWaalsContact O-N 3.08Å; N555-V994 HydrophobicContact CB-CG1 4.38Å; N555-V994 WeakPolarHBondContact OD1-CG2 3.31Å; N555-K1024 WeakPolarHBondContact O-CD 3.48Å
556	Q	91	Very high	79.2	Confident	3 Å²	3	33.1 Å²	33.1	1%	0.014	19%	0.189	C	C	.	.			trans	-87.5	148.4	-175.3	-52.2	-48.9	-57.6	0	0	113.1	S550 Q552 Q560 L561 L564 I819 Y831 K1024 G1025	S550-Q556 PolarHBondContact O-NE2 2.74Å; Q552-Q556 PolarHBondContact O-NE2 2.89Å; Q556-Q560 HydrophobicContact CB-CB 4.15Å; Q556-L561 HydrophobicContact CB-CD1 4.11Å; Q556-L561 HydrophobicContact CB-CD2 3.75Å; Q556-L561 HydrophobicContact CB-CG 3.61Å; Q556-L561 HydrophobicContact CG-CD2 3.92Å; Q556-L561 HydrophobicContact CG-CG 4.34Å; Q556-L564 HydrophobicContact CG-CD1 4.23Å; Q556-I819 HydrophobicContact CG-CD1 3.41Å; Q556-I819 VanDerWaalsContact CG-CD1 3.41Å; Q556-Y831 PolarHBondContact OE1-OH 3.44Å; Q556-K1024 CarbonylContact O-C 3.5Å; Q556-K1024 WeakPolarHBondContact O-CA 3.49Å; Q556-K1024 VanDerWaalsContact O-CB 3.27Å; Q556-K1024 WeakPolarHBondContact O-CB 3.43Å; Q556-G1025 PolarHBondContact O-N 3.26Å
557	S	91.9	Very high	81.6	Confident	1 Å²	1	26.9 Å²	26.9	1%	0.007	16%	0.16	C	C	.	.			trans	-67.5	162.8	167.8	85.4	0	0	0	0	112.4	G559 Q560 L561 A834 D1022	S557-G559 PolarHBondContact O-N 3.28Å; S557-G559 PolarHBondContact OG-N 3.11Å; S557-Q560 PolarHBondContact O-N 3.03Å; S557-Q560 WeakPolarHBondContact OG-CG 3.48Å; S557-Q560 PolarHBondContact OG-N 3.36Å; S557-L561 WeakPolarHBondContact O-CG 3.26Å; S557-L561 PolarHBondContact O-N 2.88Å; S557-A834 PolarHBondContact OG-O 2.89Å; S557-D1022 VanDerWaalsContact CA-OD2 3.28Å; S557-D1022 WeakPolarHBondContact CA-OD2 3.38Å; S557-D1022 WeakPolarHBondContact CB-OD2 3.49Å
558	A	91.6	Very high	84	Confident	1 Å²	1	23 Å²	23	1%	0.008	13%	0.133	C	C	.	.	H	α-helix	trans	-59.8	-31.5	171.3	0	0	0	0	0	112.9	S562 P898 L899 D1022 R1026 P1028 Y1031	A558-S562 WeakPolarHBondContact O-CB 3.49Å; A558-S562 PolarHBondContact O-N 2.91Å; A558-P898 HydrophobicContact CB-CG 4.33Å; A558-L899 HydrophobicContact CB-CD2 3.75Å; A558-L899 HydrophobicContact CB-CG 4.21Å; A558-D1022 PolarHBondContact N-OD2 3.39Å; A558-R1026 WeakPolarHBondContact CA-O 3.4Å; A558-P1028 WeakPolarHBondContact O-CD 3.37Å; A558-Y1031 HydrophobicContact CB-CD2 4.06Å; A558-Y1031 HydrophobicContact CB-CE2 3.73Å
559	G	88.1	Confident	86.2	Confident	16 Å²	16	16 Å²	16	17%	0.165	10%	0.098	C	C	.	.	H	α-helix	trans	-70.3	-49.6	175	0	0	0	0	0	111.9	S557 L561 S562 L563	S557-G559 PolarHBondContact O-N 3.28Å; S557-G559 PolarHBondContact OG-N 3.11Å; G559-L561 VanDerWaalsContact C-N 3.32Å; G559-L561 PolarHBondContact O-N 3.05Å; G559-S562 WeakPolarHBondContact O-CB 3.45Å; G559-S562 PolarHBondContact O-N 3.13Å; G559-L563 PolarHBondContact O-N 3.29Å; G559-L563 VanDerWaalsContact O-N 3.07Å
560	Q	89.6	Confident	88	Confident	6 Å²	6	13.7 Å²	13.7	3%	0.028	8%	0.08	C	C	.	.	H	α-helix	trans	-57.5	-44	175.9	-74.8	170.9	-37.1	0	0	111.4	Q556 S557 S562 L563 L564 Y831 A834 D835	Q556-Q560 HydrophobicContact CB-CB 4.15Å; S557-Q560 PolarHBondContact O-N 3.03Å; S557-Q560 WeakPolarHBondContact OG-CG 3.48Å; S557-Q560 PolarHBondContact OG-N 3.36Å; Q560-S562 PolarHBondContact O-N 3.26Å; Q560-L563 PolarHBondContact O-N 2.94Å; Q560-L564 WeakPolarHBondContact O-CB 3.24Å; Q560-L564 VanDerWaalsContact O-CG 3.22Å; Q560-L564 WeakPolarHBondContact O-CG 3.44Å; Q560-L564 PolarHBondContact O-N 3.01Å; Q560-Y831 HydrophobicContact CB-CD2 4.17Å; Q560-Y831 HydrophobicContact CB-CE2 3.89Å; Q560-Y831 HydrophobicContact CG-CD2 3.92Å; Q560-Y831 HydrophobicContact CG-CE2 3.82Å; Q560-Y831 WeakPolarHBondContact CG-O 3.49Å; Q560-Y831 PolarHBondContact NE2-O 3.1Å; Q560-A834 HydrophobicContact CG-CB 4.06Å; Q560-D835 VanDerWaalsContact NE2-CB 3.31Å
561	L	90.5	Very high	89.4	Confident	1 Å²	1	12.4 Å²	12.4	1%	0.005	7%	0.067	C	C	.	.	H	α-helix	trans	-66.4	-37.3	177.9	-69.6	170.2	0	0	0	113	I553 Q556 S557 G559 L563 L564 Q565 M724 G1025 R1026 T1027	I553-L561 HydrophobicContact CG2-CD2 4.09Å; Q556-L561 HydrophobicContact CB-CD1 4.11Å; Q556-L561 HydrophobicContact CB-CD2 3.75Å; Q556-L561 HydrophobicContact CB-CG 3.61Å; Q556-L561 HydrophobicContact CG-CD2 3.92Å; Q556-L561 HydrophobicContact CG-CG 4.34Å; S557-L561 WeakPolarHBondContact O-CG 3.26Å; S557-L561 PolarHBondContact O-N 2.88Å; G559-L561 VanDerWaalsContact C-N 3.32Å; G559-L561 PolarHBondContact O-N 3.05Å; L561-L563 VanDerWaalsContact C-N 3.33Å; L561-L563 PolarHBondContact O-N 3.14Å; L561-L564 HydrophobicContact CD2-CD1 4.31Å; L561-L564 PolarHBondContact O-N 3.01Å; L561-Q565 WeakPolarHBondContact O-CB 3.28Å; L561-Q565 WeakPolarHBondContact O-CG 3.47Å; L561-Q565 PolarHBondContact O-N 3.32Å; L561-M724 HydrophobicContact CD2-CE 3.86Å; L561-G1025 VanDerWaalsContact CD1-C 3.41Å; L561-R1026 VanDerWaalsContact CD1-C 3.49Å; L561-R1026 WeakPolarHBondContact CD1-O 3.48Å; L561-T1027 HydrophobicContact CB-CG2 4.39Å
562	S	87.6	Confident	89.8	Confident	23 Å²	23	11.4 Å²	11.4	16%	0.161	6%	0.062	C	C	.	.	H	α-helix	trans	-60.1	-43.3	173.3	-172.7	0	0	0	0	111.7	A558 G559 Q560 K566	A558-S562 WeakPolarHBondContact O-CB 3.49Å; A558-S562 PolarHBondContact O-N 2.91Å; G559-S562 WeakPolarHBondContact O-CB 3.45Å; G559-S562 PolarHBondContact O-N 3.13Å; Q560-S562 PolarHBondContact O-N 3.26Å; S562-K566 WeakPolarHBondContact O-CG 3.24Å; S562-K566 PolarHBondContact O-N 3.46Å
563	L	86.3	Confident	89.9	Confident	16 Å²	16	9.5 Å²	9.5	8%	0.084	5%	0.054	C	C	.	.	H	α-helix	trans	-66.5	-49.5	176.1	-171.5	60.7	0	0	0	111.5	I90 G559 Q560 L561 Q565 K566 F567	I90-L563 HydrophobicContact CG1-CD1 4.08Å; G559-L563 PolarHBondContact O-N 3.29Å; G559-L563 VanDerWaalsContact O-N 3.07Å; Q560-L563 PolarHBondContact O-N 2.94Å; L561-L563 VanDerWaalsContact C-N 3.33Å; L561-L563 PolarHBondContact O-N 3.14Å; L563-Q565 VanDerWaalsContact C-N 3.25Å; L563-Q565 PolarHBondContact O-N 3.42Å; L563-K566 WeakPolarHBondContact O-CB 3.21Å; L563-K566 PolarHBondContact O-N 3.32Å; L563-K566 VanDerWaalsContact O-N 3.1Å; L563-F567 HydrophobicContact CD1-CD2 4.1Å; L563-F567 HydrophobicContact CD1-CE2 3.86Å; L563-F567 HydrophobicContact CG-CD2 4.05Å; L563-F567 HydrophobicContact CG-CE2 4.01Å; L563-F567 WeakPolarHBondContact O-CD2 3.49Å; L563-F567 PolarHBondContact O-N 2.94Å
564	L	89.4	Confident	89.8	Confident	0 Å²	0	9.6 Å²	9.6	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-60.6	-31.8	178.1	-70.2	170.3	0	0	0	112.4	Q556 Q560 L561 S568 M724 I819 M823 Y831	Q556-L564 HydrophobicContact CG-CD1 4.23Å; Q560-L564 WeakPolarHBondContact O-CB 3.24Å; Q560-L564 VanDerWaalsContact O-CG 3.22Å; Q560-L564 WeakPolarHBondContact O-CG 3.44Å; Q560-L564 PolarHBondContact O-N 3.01Å; L561-L564 HydrophobicContact CD2-CD1 4.31Å; L561-L564 PolarHBondContact O-N 3.01Å; L564-S568 VanDerWaalsContact O-CB 3.22Å; L564-S568 WeakPolarHBondContact O-CB 3.39Å; L564-S568 PolarHBondContact O-N 3.22Å; L564-S568 PolarHBondContact O-OG 3.03Å; L564-M724 HydrophobicContact CB-CE 3.63Å; L564-M724 HydrophobicContact CD1-CE 4.34Å; L564-I819 HydrophobicContact CD1-CD1 3.63Å; L564-I819 HydrophobicContact CD1-CG1 4.06Å; L564-I819 HydrophobicContact CD1-CG2 4.21Å; L564-I819 HydrophobicContact CD2-CG2 3.72Å; L564-M823 HydrophobicContact CB-CE 4.4Å; L564-M823 HydrophobicContact CD2-CB 4.31Å; L564-M823 HydrophobicContact CD2-CE 3.88Å; L564-Y831 HydrophobicContact CD1-CE2 3.98Å; L564-Y831 HydrophobicContact CD2-CD2 4.41Å; L564-Y831 HydrophobicContact CD2-CE2 4.17Å; L564-Y831 HydrophobicContact CG-CD2 4.4Å; L564-Y831 HydrophobicContact CG-CE2 4.1Å
565	Q	90	Very high	89.8	Confident	31 Å²	31	9.5 Å²	9.5	15%	0.145	5%	0.054	C	C	.	.	H	α-helix	trans	-67.2	-44.5	172.7	-79.7	-174	-38.4	0	0	112.3	L561 L563 F567 S568 L569 M724 L725	L561-Q565 WeakPolarHBondContact O-CB 3.28Å; L561-Q565 WeakPolarHBondContact O-CG 3.47Å; L561-Q565 PolarHBondContact O-N 3.32Å; L563-Q565 VanDerWaalsContact C-N 3.25Å; L563-Q565 PolarHBondContact O-N 3.42Å; Q565-F567 VanDerWaalsContact C-N 3.34Å; Q565-F567 PolarHBondContact O-N 2.87Å; Q565-S568 PolarHBondContact O-N 3.46Å; Q565-L569 WeakPolarHBondContact O-CB 3.38Å; Q565-L569 PolarHBondContact O-N 3.23Å; Q565-M724 HydrophobicContact CG-CE 4.39Å; Q565-M724 WeakPolarHBondContact CG-O 3.5Å; Q565-M724 PolarHBondContact NE2-O 3.44Å; Q565-L725 HydrophobicContact CB-CD2 4.33Å
566	K	87.4	Confident	89.8	Confident	13 Å²	13	7.6 Å²	7.6	6%	0.057	4%	0.044	C	C	.	.	H	α-helix	trans	-59.8	-43.5	174.9	-68.1	162.9	178.3	-90.4	0	111.1	R17 A18 E85 F88 I90 S562 L563 L570	R17-K566 PolarHBondContact O-NZ 3.23Å; A18-K566 WeakPolarHBondContact O-CG 3.43Å; E85-K566 PolarHBondContact O-NZ 3.09Å; F88-K566 PolarHBondContact O-NZ 2.9Å; I90-K566 HydrophobicContact CD1-CB 4Å; I90-K566 HydrophobicContact CG1-CB 4.3Å; S562-K566 WeakPolarHBondContact O-CG 3.24Å; S562-K566 PolarHBondContact O-N 3.46Å; L563-K566 WeakPolarHBondContact O-CB 3.21Å; L563-K566 PolarHBondContact O-N 3.32Å; L563-K566 VanDerWaalsContact O-N 3.1Å; K566-L570 PolarHBondContact O-N 3.3Å; K566-L570 VanDerWaalsContact O-N 3.1Å
567	F	88.4	Confident	89.5	Confident	3 Å²	3	10.5 Å²	10.5	1%	0.013	6%	0.057	C	C	.	.	H	α-helix	trans	-65.9	-44.8	173.1	-88.2	-88.5	0	0	0	113.7	F46 L47 I90 L563 Q565 L569 L570 R571 M823 Q826 S827	F46-F567 HydrophobicContact CE2-CZ 4.18Å; L47-F567 HydrophobicContact CD2-CD1 4.34Å; L47-F567 HydrophobicContact CD2-CE1 3.56Å; L47-F567 HydrophobicContact CD2-CZ 4.25Å; I90-F567 HydrophobicContact CB-CE2 4.38Å; I90-F567 HydrophobicContact CD1-CD2 4.14Å; I90-F567 HydrophobicContact CD1-CE2 4.15Å; I90-F567 HydrophobicContact CG1-CD2 4.38Å; I90-F567 HydrophobicContact CG1-CE2 4.08Å; I90-F567 HydrophobicContact CG2-CD2 4.39Å; I90-F567 HydrophobicContact CG2-CE1 4.3Å; I90-F567 HydrophobicContact CG2-CE2 3.41Å; I90-F567 VanDerWaalsContact CG2-CE2 3.41Å; I90-F567 HydrophobicContact CG2-CZ 3.35Å; L563-F567 HydrophobicContact CD1-CD2 4.1Å; L563-F567 HydrophobicContact CD1-CE2 3.86Å; L563-F567 HydrophobicContact CG-CD2 4.05Å; L563-F567 HydrophobicContact CG-CE2 4.01Å; L563-F567 WeakPolarHBondContact O-CD2 3.49Å; L563-F567 PolarHBondContact O-N 2.94Å; Q565-F567 VanDerWaalsContact C-N 3.34Å; Q565-F567 PolarHBondContact O-N 2.87Å; F567-L569 VanDerWaalsContact C-N 3.26Å; F567-L569 PolarHBondContact O-N 2.93Å; F567-L570 PolarHBondContact O-N 3.03Å; F567-L570 VanDerWaalsContact O-N 3.15Å; F567-R571 WeakPolarHBondContact O-CB 3.45Å; F567-R571 PolarHBondContact O-N 2.79Å; F567-M823 HydrophobicContact CB-CE 3.97Å; F567-Q826 HydrophobicContact CE1-CB 3.93Å; F567-S827 VanDerWaalsContact CE2-CB 3.43Å
568	S	91.6	Very high	89.3	Confident	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-58.7	-42.2	178.6	-63.8	0	0	0	0	110.8	L564 Q565 L572 M724 M823	L564-S568 VanDerWaalsContact O-CB 3.22Å; L564-S568 WeakPolarHBondContact O-CB 3.39Å; L564-S568 PolarHBondContact O-N 3.22Å; L564-S568 PolarHBondContact O-OG 3.03Å; Q565-S568 PolarHBondContact O-N 3.46Å; S568-L572 WeakPolarHBondContact O-CB 3.2Å; S568-L572 PolarHBondContact O-N 3.3Å; S568-M724 WeakPolarHBondContact OG-CB 3.48Å; S568-M724 WeakPolarHBondContact OG-CG 3.43Å; S568-M823 VanDerWaalsContact OG-CE 3.28Å; S568-M823 WeakPolarHBondContact OG-CE 3.42Å
569	L	90.8	Very high	89	Confident	2 Å²	2	18.3 Å²	18.3	1%	0.01	9%	0.09	C	C	.	.	H	α-helix	trans	-60.6	-52.2	172.7	170.1	50.7	0	0	0	111.9	A18 A19 Q565 F567 R571 L572 T573 W589 L725	A18-L569 HydrophobicContact CB-CD2 3.72Å; A19-L569 HydrophobicContact CB-CD2 4.08Å; A19-L569 HydrophobicContact CB-CG 4.16Å; Q565-L569 WeakPolarHBondContact O-CB 3.38Å; Q565-L569 PolarHBondContact O-N 3.23Å; F567-L569 VanDerWaalsContact C-N 3.26Å; F567-L569 PolarHBondContact O-N 2.93Å; L569-R571 VanDerWaalsContact C-N 3.28Å; L569-R571 PolarHBondContact O-N 3.27Å; L569-L572 PolarHBondContact O-N 3.35Å; L569-T573 WeakPolarHBondContact CD1-OG1 3.46Å; L569-T573 WeakPolarHBondContact O-CB 3.17Å; L569-T573 PolarHBondContact O-N 3.15Å; L569-T573 PolarHBondContact O-OG1 3.04Å; L569-W589 HydrophobicContact CD1-CD2 4.43Å; L569-W589 HydrophobicContact CD1-CE3 3.97Å; L569-W589 HydrophobicContact CD1-CH2 2.99Å; L569-W589 HydrophobicContact CD1-CZ2 3.53Å; L569-W589 HydrophobicContact CD1-CZ3 3.24Å; L569-W589 HydrophobicContact CD2-CH2 3.86Å; L569-W589 HydrophobicContact CD2-CZ3 3.96Å; L569-W589 HydrophobicContact CG-CH2 4.07Å; L569-W589 HydrophobicContact CG-CZ3 4.24Å; L569-L725 HydrophobicContact CB-CD1 4.33Å; L569-L725 HydrophobicContact CB-CD2 4.17Å
570	L	90.3	Very high	88.3	Confident	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-56.4	-44.9	-179.6	-177.9	57.2	0	0	0	111.7	W15 F21 L47 L51 T54 K566 F567 T573 A574	W15-L570 HydrophobicContact CH2-CD1 3.52Å; W15-L570 HydrophobicContact CZ2-CD1 3.73Å; F21-L570 HydrophobicContact CE2-CD1 4.06Å; F21-L570 HydrophobicContact CE2-CD2 3.92Å; F21-L570 HydrophobicContact CZ-CD1 4.49Å; F21-L570 HydrophobicContact CZ-CD2 3.67Å; L47-L570 HydrophobicContact CD1-CD2 3.79Å; L47-L570 HydrophobicContact CD2-CD2 4.16Å; L51-L570 HydrophobicContact CB-CD1 4.47Å; L51-L570 HydrophobicContact CB-CD2 4.01Å; L51-L570 HydrophobicContact CB-CG 3.99Å; L51-L570 HydrophobicContact CD2-CG 4.2Å; T54-L570 HydrophobicContact CG2-CD1 4.36Å; K566-L570 PolarHBondContact O-N 3.3Å; K566-L570 VanDerWaalsContact O-N 3.1Å; F567-L570 PolarHBondContact O-N 3.03Å; F567-L570 VanDerWaalsContact O-N 3.15Å; L570-T573 PolarHBondContact O-N 2.83Å; L570-A574 WeakPolarHBondContact O-CB 3.46Å; L570-A574 PolarHBondContact O-N 3.12Å
571	R	90.8	Very high	86.6	Confident	19 Å²	19	25.6 Å²	25.6	7%	0.072	12%	0.123	C	C	.	.	H	α-helix	trans	-64.8	-47.8	177.3	-169.3	177.2	-173.3	119.3	2.9	112.8	L51 F567 L569 T573 A574 I575 E822	L51-R571 HydrophobicContact CD2-CB 4.21Å; L51-R571 HydrophobicContact CD2-CG 4.49Å; F567-R571 WeakPolarHBondContact O-CB 3.45Å; F567-R571 PolarHBondContact O-N 2.79Å; L569-R571 VanDerWaalsContact C-N 3.28Å; L569-R571 PolarHBondContact O-N 3.27Å; R571-T573 VanDerWaalsContact C-N 3.32Å; R571-T573 PolarHBondContact O-N 2.93Å; R571-A574 PolarHBondContact O-N 3.47Å; R571-I575 HydrophobicContact CG-CD1 4.03Å; R571-I575 WeakPolarHBondContact O-CG1 3.3Å; R571-I575 PolarHBondContact O-N 2.95Å; R571-E822 IonicContact CZ-OE2 3.97Å; R571-E822 IonicContact NH1-OE2 3.65Å; R571-E822 PolarHBondContact NH1-OE2 2.96Å; R571-E822 IonicContact NH2-OE2 2.91Å; R571-E822 PolarHBondContact NH2-OE2 3.2Å
572	L	91.2	Very high	85	Confident	2 Å²	2	30.8 Å²	30.8	1%	0.01	16%	0.16	C	C	.	.	H	α-helix	trans	-62.8	-40.1	177.3	-178.3	59.1	0	0	0	111.4	S568 L569 M576 T702 I706 A718 A721 A722 L725	S568-L572 WeakPolarHBondContact O-CB 3.2Å; S568-L572 PolarHBondContact O-N 3.3Å; L569-L572 PolarHBondContact O-N 3.35Å; L572-M576 HydrophobicContact CD1-CG 3.97Å; L572-M576 HydrophobicContact CD1-SD 4.38Å; L572-M576 HydrophobicContact CG-CG 4.47Å; L572-M576 WeakPolarHBondContact O-CB 3.3Å; L572-M576 VanDerWaalsContact O-CG 3.29Å; L572-M576 WeakPolarHBondContact O-CG 3.42Å; L572-M576 PolarHBondContact O-N 2.9Å; L572-T702 HydrophobicContact CD1-CG2 4.41Å; L572-T702 HydrophobicContact CD2-CG2 4.06Å; L572-I706 HydrophobicContact CD1-CD1 4.08Å; L572-A718 HydrophobicContact CD1-CB 4.3Å; L572-A721 HydrophobicContact CB-CB 4.05Å; L572-A722 HydrophobicContact CD2-CB 4.1Å; L572-L725 HydrophobicContact CD2-CD1 3.8Å
573	T	90	Very high	82.8	Confident	3 Å²	3	35.7 Å²	35.7	2%	0.018	18%	0.184	C	C	.	.	H	α-helix	trans	-60.5	-47.8	174.8	-51.7	0	0	0	0	110.6	W15 T54 R58 L569 L570 R571 M576 E577	W15-T573 HydrophobicContact CZ2-CG2 3.96Å; W15-T573 PolarHBondContact NE1-OG1 2.99Å; T54-T573 HydrophobicContact CG2-CG2 3.54Å; R58-T573 VanDerWaalsContact NH2-CG2 3.32Å; L569-T573 WeakPolarHBondContact CD1-OG1 3.46Å; L569-T573 WeakPolarHBondContact O-CB 3.17Å; L569-T573 PolarHBondContact O-N 3.15Å; L569-T573 PolarHBondContact O-OG1 3.04Å; L570-T573 PolarHBondContact O-N 2.83Å; R571-T573 VanDerWaalsContact C-N 3.32Å; R571-T573 PolarHBondContact O-N 2.93Å; T573-M576 PolarHBondContact O-N 3.02Å; T573-E577 HydrophobicContact CG2-CG 4.49Å; T573-E577 WeakPolarHBondContact O-CB 3.26Å; T573-E577 WeakPolarHBondContact O-CG 3.44Å; T573-E577 PolarHBondContact O-N 2.74Å
574	A	90	Very high	80.9	Confident	6 Å²	6	44.5 Å²	44.5	5%	0.05	22%	0.222	C	C	.	.	H	α-helix	trans	-63	-46.3	-179.5	0	0	0	0	0	112.6	L51 T54 L570 R571 E577 K578	L51-A574 HydrophobicContact CD2-CB 3.79Å; T54-A574 HydrophobicContact CG2-CB 4.45Å; T54-A574 WeakPolarHBondContact OG1-CA 3.19Å; T54-A574 VanDerWaalsContact OG1-CB 3.27Å; T54-A574 WeakPolarHBondContact OG1-CB 3.38Å; L570-A574 WeakPolarHBondContact O-CB 3.46Å; L570-A574 PolarHBondContact O-N 3.12Å; R571-A574 PolarHBondContact O-N 3.47Å; A574-E577 PolarHBondContact O-N 2.85Å; A574-K578 VanDerWaalsContact O-CB 3.24Å; A574-K578 WeakPolarHBondContact O-CB 3.42Å; A574-K578 PolarHBondContact O-N 3.33Å
575	I	90.1	Very high	78.8	Confident	12 Å²	12	53 Å²	53	6%	0.062	26%	0.262	C	S	.	.	H	α-helix	trans	-60.7	-47.9	176.2	-65.1	167.6	0	0	0	110.1	R571 E577 K578 Y579 V710 Q717 A718	R571-I575 HydrophobicContact CG-CD1 4.03Å; R571-I575 WeakPolarHBondContact O-CG1 3.3Å; R571-I575 PolarHBondContact O-N 2.95Å; I575-E577 PolarHBondContact O-N 3.47Å; I575-K578 PolarHBondContact O-N 2.62Å; I575-Y579 HydrophobicContact CG2-CD2 4.14Å; I575-Y579 VanDerWaalsContact O-CD2 3.31Å; I575-Y579 WeakPolarHBondContact O-CD2 3.42Å; I575-Y579 PolarHBondContact O-N 2.89Å; I575-Y579 VanDerWaalsContact O-N 3.17Å; I575-V710 HydrophobicContact CG2-CG1 3.92Å; I575-V710 HydrophobicContact CG2-CG2 4Å; I575-Q717 HydrophobicContact CD1-CB 4.43Å; I575-A718 HydrophobicContact CD1-CB 4.3Å; I575-A718 HydrophobicContact CG2-CB 4.23Å
576	M	88.3	Confident	76.7	Confident	1 Å²	1	53.7 Å²	53.7	1%	0.005	28%	0.276	C	S	.	.	H	α-helix	trans	-68.1	-37.6	-177.8	-63.6	-38.5	-56.7	0	0	112.6	L572 T573 K578 S580 W587 H705 I706 V710	L572-M576 HydrophobicContact CD1-CG 3.97Å; L572-M576 HydrophobicContact CD1-SD 4.38Å; L572-M576 HydrophobicContact CG-CG 4.47Å; L572-M576 WeakPolarHBondContact O-CB 3.3Å; L572-M576 VanDerWaalsContact O-CG 3.29Å; L572-M576 WeakPolarHBondContact O-CG 3.42Å; L572-M576 PolarHBondContact O-N 2.9Å; T573-M576 PolarHBondContact O-N 3.02Å; M576-K578 VanDerWaalsContact C-N 3.3Å; M576-K578 PolarHBondContact O-N 2.81Å; M576-S580 WeakPolarHBondContact O-CA 3.4Å; M576-S580 WeakPolarHBondContact O-CB 3.48Å; M576-S580 PolarHBondContact O-N 2.96Å; M576-W587 HydrophobicContact CB-CD2 4.32Å; M576-W587 HydrophobicContact CB-CH2 3.9Å; M576-W587 HydrophobicContact CB-CZ2 3.65Å; M576-W587 HydrophobicContact CB-CZ3 4.31Å; M576-W587 HydrophobicContact CE-CE3 4.32Å; M576-W587 HydrophobicContact CE-CH2 3.28Å; M576-W587 HydrophobicContact CE-CZ2 4.21Å; M576-W587 HydrophobicContact CE-CZ3 3.32Å; M576-W587 HydrophobicContact CG-CH2 3.6Å; M576-W587 HydrophobicContact CG-CZ2 3.54Å; M576-W587 HydrophobicContact CG-CZ3 4.37Å; M576-W587 HydrophobicContact SD-CH2 4.07Å; M576-H705 HydrophobicContact CE-CB 4.45Å; M576-I706 HydrophobicContact CE-CG1 4.47Å; M576-I706 HydrophobicContact SD-CG1 3.75Å; M576-V710 HydrophobicContact CE-CG2 3.64Å; M576-V710 HydrophobicContact SD-CG2 3.46Å; M576-V710 WeakPolarHBondContact SD-CG2 3.46Å
577	E	86.1	Confident	74.8	Confident	65 Å²	65	55.6 Å²	55.6	30%	0.304	28%	0.283	S	S	.	.	H	α-helix	trans	-65.7	-30.5	172.6	-75.2	-162.3	157	0	0	113.6	K57 R58 T573 A574 I575	K57-E577 VanDerWaalsContact CD-OE2 3.24Å; K57-E577 WeakPolarHBondContact CD-OE2 3.37Å; K57-E577 IonicContact NZ-OE2 2.7Å; R58-E577 IonicContact CZ-OE1 2.85Å; R58-E577 IonicContact CZ-OE2 3.89Å; R58-E577 IonicContact NH1-OE1 2.81Å; R58-E577 PolarHBondContact NH1-OE1 3.33Å; R58-E577 IonicContact NH1-OE2 2.65Å; R58-E577 PolarHBondContact NH1-OE2 2.83Å; R58-E577 IonicContact NH2-OE1 2.73Å; R58-E577 PolarHBondContact NH2-OE1 3.08Å; R58-E577 IonicContact NH2-OE2 3.94Å; T573-E577 HydrophobicContact CG2-CG 4.49Å; T573-E577 WeakPolarHBondContact O-CB 3.26Å; T573-E577 WeakPolarHBondContact O-CG 3.44Å; T573-E577 PolarHBondContact O-N 2.74Å; A574-E577 PolarHBondContact O-N 2.85Å; I575-E577 PolarHBondContact O-N 3.47Å
578	K	86.6	Confident	73.2	Confident	102 Å²	102	60.9 Å²	60.9	44%	0.443	32%	0.316	S	S	.	.	H	α-helix	trans	-76.1	-29.4	-178.4	-172.1	172.5	179	179.3	0	113.2	D50 A574 I575 M576	D50-K578 WeakPolarHBondContact OD2-CD 3.4Å; D50-K578 WeakPolarHBondContact OD2-CE 3.46Å; D50-K578 IonicContact OD2-NZ 2.79Å; D50-K578 PolarHBondContact OD2-NZ 2.94Å; A574-K578 VanDerWaalsContact O-CB 3.24Å; A574-K578 WeakPolarHBondContact O-CB 3.42Å; A574-K578 PolarHBondContact O-N 3.33Å; I575-K578 PolarHBondContact O-N 2.62Å; M576-K578 VanDerWaalsContact C-N 3.3Å; M576-K578 PolarHBondContact O-N 2.81Å
579	Y	85.6	Confident	71.4	Confident	64 Å²	64	62.7 Å²	62.7	25%	0.251	32%	0.322	S	S	.	.	H	α-helix	trans	-118.4	-20.7	-175	-62.3	-73.9	0	0	0	115.3	I575 M581 P711 Q714	I575-Y579 HydrophobicContact CG2-CD2 4.14Å; I575-Y579 VanDerWaalsContact O-CD2 3.31Å; I575-Y579 WeakPolarHBondContact O-CD2 3.42Å; I575-Y579 PolarHBondContact O-N 2.89Å; I575-Y579 VanDerWaalsContact O-N 3.17Å; Y579-M581 VanDerWaalsContact C-N 3.28Å; Y579-M581 PolarHBondContact O-N 3.33Å; Y579-P711 VanDerWaalsContact CD1-CD 3.49Å; Y579-P711 HydrophobicContact CD1-CG 3.98Å; Y579-P711 HydrophobicContact CE1-CG 3.75Å; Y579-P711 HydrophobicContact CE2-CG 4.41Å; Y579-P711 HydrophobicContact CG-CG 4.4Å; Y579-Q714 PolarHBondContact OH-NE2 2.82Å
580	S	74.4	Confident	69.8	Low	21 Å²	21	65.8 Å²	65.8	15%	0.147	35%	0.345	C	S	.	.	S	Bend	trans	-76.4	79.2	170.4	177.5	0	0	0	0	111	M576 W587	M576-S580 WeakPolarHBondContact O-CA 3.4Å; M576-S580 WeakPolarHBondContact O-CB 3.48Å; M576-S580 PolarHBondContact O-N 2.96Å; S580-W587 VanDerWaalsContact OG-CE3 3.31Å
581	M	54.3	Low	68	Low	153 Å²	153	66.6 Å²	66.6	75%	0.754	35%	0.35	S	S	*	.			trans	-50.8	143.4	-177.4	-75.7	-67.5	-75.6	0	0	114.2	Y579 N583	Y579-M581 VanDerWaalsContact C-N 3.28Å; Y579-M581 PolarHBondContact O-N 3.33Å; M581-N583 PolarHBondContact O-N 3.19Å
582	S	56	Low	66.1	Low	110 Å²	110	66.6 Å²	66.6	77%	0.769	35%	0.352	S	S	*	.			trans	-69.1	73.9	-166.9	49.3	0	0	0	0	115.3
583	N	40.3	Very low	64.1	Low	127 Å²	127	71 Å²	71	68%	0.679	37%	0.371	S	S	*	.			trans	-68.5	155.4	160.6	-156.5	-12.8	0	0	0	110.4	M581 H585 G586	M581-N583 PolarHBondContact O-N 3.19Å; N583-H585 CarbonylContact O-C 3.48Å; N583-H585 PolarHBondContact O-N 2.89Å; N583-G586 WeakPolarHBondContact O-CA 3.43Å; N583-G586 PolarHBondContact O-N 3.32Å; N583-G586 VanDerWaalsContact O-N 3.15Å
584	K	46.9	Very low	62.2	Low	200 Å²	200	74.4 Å²	74.4	87%	0.87	39%	0.386	S	S	*	.	S	Bend	trans	-69.7	1.8	-174.7	-67.3	-178.9	-179.6	175.8	0	114.5
585	H	45.1	Very low	60.3	Low	180 Å²	180	77.6 Å²	77.6	83%	0.833	40%	0.4	S	S	*	.	S	Bend	trans	-120.7	74	163.2	-58.4	-14.3	0	0	0	105.7	N583	N583-H585 CarbonylContact O-C 3.48Å; N583-H585 PolarHBondContact O-N 2.89Å
586	G	47.6	Very low	57.8	Low	44 Å²	44	84.9 Å²	84.9	45%	0.454	43%	0.431	S	S	.	.			trans	-66.3	165.5	-169.5	0	0	0	0	0	112.9	N583 T588	N583-G586 WeakPolarHBondContact O-CA 3.43Å; N583-G586 PolarHBondContact O-N 3.32Å; N583-G586 VanDerWaalsContact O-N 3.15Å; G586-T588 PolarHBondContact O-N 3.16Å
587	W	47.4	Very low	55.5	Low	54 Å²	54	95 Å²	95	21%	0.205	47%	0.47	C	S	.	.			trans	-61.1	95.1	175	-174.7	-71.6	0	0	0	111	M576 S580 W589 H705 Y709	M576-W587 HydrophobicContact CB-CD2 4.32Å; M576-W587 HydrophobicContact CB-CH2 3.9Å; M576-W587 HydrophobicContact CB-CZ2 3.65Å; M576-W587 HydrophobicContact CB-CZ3 4.31Å; M576-W587 HydrophobicContact CE-CE3 4.32Å; M576-W587 HydrophobicContact CE-CH2 3.28Å; M576-W587 HydrophobicContact CE-CZ2 4.21Å; M576-W587 HydrophobicContact CE-CZ3 3.32Å; M576-W587 HydrophobicContact CG-CH2 3.6Å; M576-W587 HydrophobicContact CG-CZ2 3.54Å; M576-W587 HydrophobicContact CG-CZ3 4.37Å; M576-W587 HydrophobicContact SD-CH2 4.07Å; S580-W587 VanDerWaalsContact OG-CE3 3.31Å; W587-W589 AromaticContact NE1-CD1 3.44Å; W587-W589 AromaticContact NE1-CG 3.74Å; W587-W589 PolarHBondContact O-N 3.46Å; W587-H705 AromaticContact CE3-ND1 3.55Å; W587-H705 HydrophobicContact CH2-CB 3.39Å; W587-H705 AromaticContact CH2-CG 3.74Å; W587-H705 AromaticContact CH2-ND1 3.29Å; W587-H705 VanDerWaalsContact CH2-ND1 3.29Å; W587-H705 WeakPolarHBondContact CH2-ND1 3.44Å; W587-H705 HydrophobicContact CZ3-CB 3.37Å; W587-H705 AromaticContact CZ3-CG 3.46Å; W587-H705 VanDerWaalsContact CZ3-CG 3.46Å; W587-H705 AromaticContact CZ3-ND1 3.02Å; W587-H705 WeakPolarHBondContact CZ3-ND1 3.33Å; W587-Y709 HydrophobicContact CZ3-CD2 4.41Å
588	T	55	Low	53.4	Low	113 Å²	113	97.2 Å²	97.2	69%	0.693	49%	0.488	S	S	*	.			trans	-87.9	91	166.7	30.6	0	0	0	0	108.9	G586 S590	G586-T588 PolarHBondContact O-N 3.16Å; T588-S590 PolarHBondContact O-N 2.82Å
589	W	53.2	Low	51.1	Low	38 Å²	38	101.9 Å²	101.9	14%	0.144	51%	0.508	C	S	.	.			trans	-71.6	78.9	168.9	-156.5	79.4	0	0	0	109.6	W15 L569 W587 V591 P592	W15-W589 AromaticContact CD1-CE3 3.76Å; W15-W589 AromaticContact CD1-CZ3 3.86Å; L569-W589 HydrophobicContact CD1-CD2 4.43Å; L569-W589 HydrophobicContact CD1-CE3 3.97Å; L569-W589 HydrophobicContact CD1-CH2 2.99Å; L569-W589 HydrophobicContact CD1-CZ2 3.53Å; L569-W589 HydrophobicContact CD1-CZ3 3.24Å; L569-W589 HydrophobicContact CD2-CH2 3.86Å; L569-W589 HydrophobicContact CD2-CZ3 3.96Å; L569-W589 HydrophobicContact CG-CH2 4.07Å; L569-W589 HydrophobicContact CG-CZ3 4.24Å; W587-W589 AromaticContact NE1-CD1 3.44Å; W587-W589 AromaticContact NE1-CG 3.74Å; W587-W589 PolarHBondContact O-N 3.46Å; W589-V591 HydrophobicContact CE3-CG2 4.43Å; W589-V591 HydrophobicContact CH2-CG1 4.21Å; W589-V591 VanDerWaalsContact CZ3-CA 3.49Å; W589-V591 HydrophobicContact CZ3-CB 3.99Å; W589-V591 HydrophobicContact CZ3-CG1 3.99Å; W589-V591 HydrophobicContact CZ3-CG2 3.91Å; W589-V591 PolarHBondContact O-N 2.95Å; W589-P592 HydrophobicContact CH2-CG 3.99Å; W589-P592 HydrophobicContact CZ2-CG 3.57Å
590	S	56.6	Low	49.5	Very low	68 Å²	68	104.6 Å²	104.6	48%	0.476	53%	0.531	S	S	.	.			trans	-63.6	125.4	165.9	72.2	0	0	0	0	107.2	T588 P592	T588-S590 PolarHBondContact O-N 2.82Å; S590-P592 WeakPolarHBondContact O-CD 3.34Å; S590-P592 VanDerWaalsContact O-N 3.15Å
591	V	52.7	Low	48.8	Very low	17 Å²	17	106.7 Å²	106.7	10%	0.103	54%	0.544	C	S	.	.			trans	-49.3	125.4	-179.1	-171.4	0	0	0	0	110.1	D14 W15 A18 W589 K593	D14-V591 HydrophobicContact CB-CG2 3.94Å; W15-V591 VanDerWaalsContact CA-CG2 3.43Å; W15-V591 HydrophobicContact CB-CG2 3.91Å; A18-V591 HydrophobicContact CB-CG1 3.7Å; W589-V591 HydrophobicContact CE3-CG2 4.43Å; W589-V591 HydrophobicContact CH2-CG1 4.21Å; W589-V591 VanDerWaalsContact CZ3-CA 3.49Å; W589-V591 HydrophobicContact CZ3-CB 3.99Å; W589-V591 HydrophobicContact CZ3-CG1 3.99Å; W589-V591 HydrophobicContact CZ3-CG2 3.91Å; W589-V591 PolarHBondContact O-N 2.95Å; V591-K593 PolarHBondContact O-N 2.74Å
592	P	51.8	Low	49.2	Very low	18 Å²	18	104.5 Å²	104.5	12%	0.117	54%	0.535	C	S	.	.			trans	-59.1	80.5	165.5	-27.4	39.4	0	0	0	109.9	W589 S590 F594 K698	W589-P592 HydrophobicContact CH2-CG 3.99Å; W589-P592 HydrophobicContact CZ2-CG 3.57Å; S590-P592 WeakPolarHBondContact O-CD 3.34Å; S590-P592 VanDerWaalsContact O-N 3.15Å; P592-F594 WeakPolarHBondContact O-CA 3.44Å; P592-F594 PolarHBondContact O-N 2.96Å; P592-K698 HydrophobicContact CB-CD 3.66Å; P592-K698 HydrophobicContact CG-CD 4.27Å
593	K	49.2	Very low	50	Low	94 Å²	94	101.3 Å²	101.3	41%	0.409	51%	0.507	S	S	.	.			trans	-46.9	110.1	170.6	-64	-170.5	178.2	-64.2	0	107.2	D14 V591 M595 K698	D14-K593 IonicContact OD1-NZ 3.77Å; D14-K593 PolarHBondContact OD1-NZ 2.91Å; D14-K593 VanDerWaalsContact OD1-NZ 3.08Å; D14-K593 WeakPolarHBondContact OD2-CE 3.45Å; D14-K593 IonicContact OD2-NZ 2.78Å; D14-K593 PolarHBondContact OD2-NZ 2.66Å; V591-K593 PolarHBondContact O-N 2.74Å; K593-M595 PolarHBondContact O-N 3.12Å; K593-K698 PolarHBondContact O-NZ 2.85Å
594	F	49	Very low	51.3	Low	76 Å²	76	102.3 Å²	102.3	33%	0.333	51%	0.505	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	114.1	-161.3	-72.4	-78.4	0	0	0	108	P592 L725	P592-F594 WeakPolarHBondContact O-CA 3.44Å; P592-F594 PolarHBondContact O-N 2.96Å; F594-L725 HydrophobicContact CZ-CD2 4.41Å
595	M	50.3	Low	52.6	Low	73 Å²	73	100.3 Å²	100.3	36%	0.36	50%	0.504	S	S	.	.	T	Hydrogen-bonded Turn	trans	31.5	85.7	-173.2	-53.5	-176.4	93.2	0	0	114.4	K593 R597 P727	K593-M595 PolarHBondContact O-N 3.12Å; M595-R597 PolarHBondContact O-N 3.25Å; M595-R597 VanDerWaalsContact O-N 3.07Å; M595-P727 HydrophobicContact SD-CB 4.46Å; M595-P727 HydrophobicContact SD-CG 4.14Å
596	K	38.1	Very low	54.3	Low	164 Å²	164	96.2 Å²	96.2	71%	0.713	48%	0.484	S	S	*	.			trans	-43.7	124.6	162.8	-77.3	-179.8	180	171	0	107.6	T598	K596-T598 VanDerWaalsContact C-N 3.28Å; K596-T598 PolarHBondContact O-N 2.99Å
597	R	39.2	Very low	56	Low	214 Å²	214	97.7 Å²	97.7	81%	0.808	48%	0.481	S	S	*	.			trans	-57.3	90.9	175.2	-77.3	-177.2	175.6	136.1	6.7	109.7	D81 M595	D81-R597 IonicContact OD2-CZ 3.44Å; D81-R597 IonicContact OD2-NH1 3.54Å; D81-R597 PolarHBondContact OD2-NH1 2.94Å; D81-R597 IonicContact OD2-NH2 2.63Å; D81-R597 PolarHBondContact OD2-NH2 3.47Å; M595-R597 PolarHBondContact O-N 3.25Å; M595-R597 VanDerWaalsContact O-N 3.07Å
598	T	41.8	Very low	58	Low	111 Å²	111	95.1 Å²	95.1	68%	0.681	47%	0.472	S	S	*	.			trans	-54.6	136.9	164.2	-60.5	0	0	0	0	106.8	K596 V600	K596-T598 VanDerWaalsContact C-N 3.28Å; K596-T598 PolarHBondContact O-N 2.99Å; T598-V600 PolarHBondContact O-N 3.14Å
599	K	38.4	Very low	59.8	Low	200 Å²	200	89.9 Å²	89.9	87%	0.87	44%	0.439	S	S	*	.			trans	-58.5	107.9	175.1	-75.4	-173.8	175.4	-175.2	0	107.7	P601	K599-P601 WeakPolarHBondContact O-CD 3.35Å; K599-P601 VanDerWaalsContact O-N 3.11Å
600	V	52.2	Low	61.6	Low	121 Å²	121	88.4 Å²	88.4	73%	0.733	44%	0.436	S	S	*	.			trans	-59.1	113	-174.1	178.7	0	0	0	0	108.6	T598 Y603	T598-V600 PolarHBondContact O-N 3.14Å; V600-Y603 HydrophobicContact CG1-CD2 4.4Å; V600-Y603 HydrophobicContact CG1-CE2 4.28Å
601	P	60	Low	63.3	Low	65 Å²	65	85.2 Å²	85.2	42%	0.422	41%	0.413	S	S	.	.			trans	-63.8	145.8	163.9	-12.9	29.5	0	0	0	108.2	K599 Y603	K599-P601 WeakPolarHBondContact O-CD 3.35Å; K599-P601 VanDerWaalsContact O-N 3.11Å; P601-Y603 HydrophobicContact CB-CE1 4.4Å; P601-Y603 WeakPolarHBondContact CD-OH 3.25Å; P601-Y603 HydrophobicContact CG-CE1 4.31Å; P601-Y603 HydrophobicContact CG-CE2 4.41Å; P601-Y603 WeakPolarHBondContact O-CD2 3.35Å; P601-Y603 WeakPolarHBondContact O-CE2 3.42Å; P601-Y603 PolarHBondContact O-N 2.96Å
602	D	63.3	Low	65.2	Low	107 Å²	107	85.6 Å²	85.6	57%	0.572	42%	0.416	S	S	*	.			trans	-73.2	101.5	175.6	-159.1	-15.8	0	0	0	109.2	K604	D602-K604 PolarHBondContact O-N 3.5Å; D602-K604 VanDerWaalsContact O-N 3.12Å; D602-K604 WeakPolarHBondContact OD1-CD 3.43Å; D602-K604 WeakPolarHBondContact OD1-CE 3.42Å; D602-K604 VanDerWaalsContact OD1-CG 3.24Å; D602-K604 WeakPolarHBondContact OD1-CG 3.33Å; D602-K604 IonicContact OD1-NZ 3.25Å; D602-K604 PolarHBondContact OD1-NZ 2.89Å; D602-K604 WeakPolarHBondContact OD2-CE 3.34Å; D602-K604 IonicContact OD2-NZ 2.91Å; D602-K604 PolarHBondContact OD2-NZ 3.39Å
603	Y	72	Confident	67.2	Low	43 Å²	43	85.1 Å²	85.1	17%	0.169	41%	0.413	C	S	.	.	G	3₁₀ helix	trans	-76.8	13.5	-175	-66.2	-74.1	0	0	0	113.7	V600 P601 D605 K606 P612 V615 R619 P691	V600-Y603 HydrophobicContact CG1-CD2 4.4Å; V600-Y603 HydrophobicContact CG1-CE2 4.28Å; P601-Y603 HydrophobicContact CB-CE1 4.4Å; P601-Y603 WeakPolarHBondContact CD-OH 3.25Å; P601-Y603 HydrophobicContact CG-CE1 4.31Å; P601-Y603 HydrophobicContact CG-CE2 4.41Å; P601-Y603 WeakPolarHBondContact O-CD2 3.35Å; P601-Y603 WeakPolarHBondContact O-CE2 3.42Å; P601-Y603 PolarHBondContact O-N 2.96Å; Y603-D605 PolarHBondContact O-N 3.09Å; Y603-K606 PolarHBondContact O-N 2.98Å; Y603-P612 HydrophobicContact CD2-CG 4.41Å; Y603-P612 HydrophobicContact CE1-CG 4.19Å; Y603-P612 HydrophobicContact CE2-CG 3.61Å; Y603-P612 VanDerWaalsContact CZ-CD 3.43Å; Y603-P612 VanDerWaalsContact CZ-CG 3.48Å; Y603-P612 WeakPolarHBondContact OH-CG 3.5Å; Y603-V615 HydrophobicContact CD2-CG2 4.09Å; Y603-V615 HydrophobicContact CE2-CG2 4.36Å; Y603-R619 PolarHBondContact O-NH2 3.1Å; Y603-P691 HydrophobicContact CE1-CG 4.46Å
604	K	68.1	Low	69.3	Low	148 Å²	148	82 Å²	82	64%	0.643	40%	0.4	S	S	*	.	G	3₁₀ helix	trans	-59.4	-30.7	179.4	-75.5	164.4	-163.3	149	0	113.9	D602 K606	D602-K604 PolarHBondContact O-N 3.5Å; D602-K604 VanDerWaalsContact O-N 3.12Å; D602-K604 WeakPolarHBondContact OD1-CD 3.43Å; D602-K604 WeakPolarHBondContact OD1-CE 3.42Å; D602-K604 VanDerWaalsContact OD1-CG 3.24Å; D602-K604 WeakPolarHBondContact OD1-CG 3.33Å; D602-K604 IonicContact OD1-NZ 3.25Å; D602-K604 PolarHBondContact OD1-NZ 2.89Å; D602-K604 WeakPolarHBondContact OD2-CE 3.34Å; D602-K604 IonicContact OD2-NZ 2.91Å; D602-K604 PolarHBondContact OD2-NZ 3.39Å; K604-K606 PolarHBondContact O-N 3.32Å
605	D	73.8	Confident	71.3	Confident	158 Å²	158	79.3 Å²	79.3	85%	0.845	39%	0.39	S	S	*	.	G	3₁₀ helix	trans	-78.2	5.7	-179	-56.5	-22.7	0	0	0	113.4	Y603	Y603-D605 PolarHBondContact O-N 3.09Å
606	K	80.9	Confident	73.3	Confident	94 Å²	94	76 Å²	76	41%	0.409	37%	0.374	S	S	.	.			trans	-146.5	134.2	-176.7	-68.8	-177.7	161.2	-149	0	112	Y603 K604 F609 V611 R619	Y603-K606 PolarHBondContact O-N 2.98Å; K604-K606 PolarHBondContact O-N 3.32Å; K606-F609 PolarHBondContact NZ-O 3.22Å; K606-V611 HydrophobicContact CB-CG2 3.75Å; K606-R619 PolarHBondContact O-NH1 3.19Å; K606-R619 PolarHBondContact O-NH2 2.77Å
607	N	83.2	Confident	75.8	Confident	75 Å²	75	68.2 Å²	68.2	40%	0.401	34%	0.34	S	S	.	.	S	Bend	trans	-101.3	-39.7	-179.7	-67.4	-25.7	0	0	0	112.2	R619 E663	N607-R619 PolarHBondContact O-NH1 2.88Å; N607-E663 WeakPolarHBondContact CA-OE2 3.48Å; N607-E663 WeakPolarHBondContact CB-OE2 3.2Å; N607-E663 PolarHBondContact N-OE2 2.62Å; N607-E663 PolarHBondContact ND2-O 2.8Å
608	V	89.8	Confident	78.3	Confident	1 Å²	1	60.5 Å²	60.5	1%	0.006	31%	0.313	C	S	.	.	S	Bend	trans	-126.1	-58	-171	177.1	0	0	0	0	114.1	P625 L628 N662 E663 P666 F686	V608-P625 HydrophobicContact CG1-CG 4.28Å; V608-P625 HydrophobicContact CG2-CB 4.2Å; V608-P625 HydrophobicContact CG2-CG 4.28Å; V608-L628 HydrophobicContact CG1-CD2 3.76Å; V608-N662 VanDerWaalsContact CG2-O 3.3Å; V608-N662 WeakPolarHBondContact CG2-O 3.29Å; V608-E663 PolarHBondContact N-OE2 2.85Å; V608-P666 HydrophobicContact CG2-CB 4.07Å; V608-F686 HydrophobicContact CG1-CD2 3.99Å; V608-F686 HydrophobicContact CG1-CE2 3.99Å
609	F	92.9	Very high	80.4	Confident	3 Å²	3	60.2 Å²	60.2	1%	0.013	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	117.7	-165.3	-67.6	-95.8	0	0	0	113.4	K606 L628 R659 N662 E663 M682 F686	K606-F609 PolarHBondContact NZ-O 3.22Å; F609-L628 HydrophobicContact CZ-CD2 4.48Å; F609-R659 VanDerWaalsContact CB-NH2 3.26Å; F609-R659 VanDerWaalsContact CD1-NH2 3.35Å; F609-R659 HydrophobicContact CD2-CB 4.41Å; F609-R659 HydrophobicContact CE1-CG 3.94Å; F609-R659 HydrophobicContact CE2-CB 3.96Å; F609-R659 HydrophobicContact CE2-CG 3.95Å; F609-R659 HydrophobicContact CZ-CB 4.17Å; F609-R659 HydrophobicContact CZ-CG 3.65Å; F609-N662 HydrophobicContact CE2-CB 3.99Å; F609-E663 WeakPolarHBondContact CB-OE1 3.3Å; F609-E663 HydrophobicContact CD2-CG 4.02Å; F609-E663 WeakPolarHBondContact CD2-OE1 3.36Å; F609-E663 PolarHBondContact N-OE1 2.79Å; F609-M682 HydrophobicContact CE1-CG 4.27Å; F609-M682 HydrophobicContact CZ-CG 3.84Å; F609-M682 HydrophobicContact CZ-SD 4.16Å; F609-F686 HydrophobicContact CD1-CB 4.18Å; F609-F686 HydrophobicContact CD1-CD2 4.26Å; F609-F686 HydrophobicContact CE1-CB 3.75Å; F609-F686 HydrophobicContact CE1-CD2 4.28Å
610	G	91.1	Very high	82.6	Confident	7 Å²	7	53.5 Å²	53.5	7%	0.072	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.5	31.4	-173.1	0	0	0	0	0	112.9	D689 P691	G610-D689 WeakPolarHBondContact CA-O 2.99Å; G610-P691 WeakPolarHBondContact O-CG 3.28Å
611	V	91.4	Very high	84.3	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.249	C	C	.	.			trans	-100.5	138.8	164.1	-178.5	0	0	0	0	107.9	K606 V615 N616	K606-V611 HydrophobicContact CB-CG2 3.75Å; V611-V615 HydrophobicContact CG1-CB 3.73Å; V611-V615 HydrophobicContact CG1-CG1 3.66Å; V611-N616 VanDerWaalsContact CG1-OD1 3.3Å; V611-N616 WeakPolarHBondContact CG1-OD1 3.24Å
612	P	92.7	Very high	85.8	Confident	26 Å²	26	46.2 Å²	46.2	17%	0.169	23%	0.234	C	C	.	.			trans	-67.9	145.6	175.9	-17.2	29.9	0	0	0	112.2	Y603 I614 V615 N616 P691	Y603-P612 HydrophobicContact CD2-CG 4.41Å; Y603-P612 HydrophobicContact CE1-CG 4.19Å; Y603-P612 HydrophobicContact CE2-CG 3.61Å; Y603-P612 VanDerWaalsContact CZ-CD 3.43Å; Y603-P612 VanDerWaalsContact CZ-CG 3.48Å; Y603-P612 WeakPolarHBondContact OH-CG 3.5Å; P612-I614 VanDerWaalsContact C-N 3.29Å; P612-I614 HydrophobicContact CB-CG2 3.94Å; P612-I614 PolarHBondContact O-N 2.73Å; P612-V615 HydrophobicContact CB-CG2 4.22Å; P612-V615 HydrophobicContact CG-CG2 4.06Å; P612-V615 WeakPolarHBondContact O-CA 3.35Å; P612-V615 WeakPolarHBondContact O-CB 3.19Å; P612-V615 PolarHBondContact O-N 3.41Å; P612-N616 PolarHBondContact O-N 2.8Å; P612-P691 HydrophobicContact CG-CG 4.04Å
613	L	94.2	Very high	87.3	Confident	8 Å²	8	41.1 Å²	41.1	4%	0.042	21%	0.206	C	C	.	.	H	α-helix	trans	-57.6	-37.7	-178	-56.6	178.4	0	0	0	113.4	V615 N616 V617 P623 F686 L690 L694 E729 V733	L613-V615 VanDerWaalsContact C-N 3.29Å; L613-V615 PolarHBondContact O-N 2.85Å; L613-N616 WeakPolarHBondContact O-CB 3.22Å; L613-N616 PolarHBondContact O-N 3.4Å; L613-N616 VanDerWaalsContact O-N 3.12Å; L613-V617 PolarHBondContact O-N 3.25Å; L613-P623 HydrophobicContact CB-CB 4.16Å; L613-P623 WeakPolarHBondContact CD2-O 3.34Å; L613-F686 HydrophobicContact CD2-CE1 4.34Å; L613-F686 HydrophobicContact CD2-CZ 4.12Å; L613-L690 HydrophobicContact CD2-CD1 4.39Å; L613-L690 HydrophobicContact CD2-CD2 3.97Å; L613-L694 HydrophobicContact CD1-CD1 3.97Å; L613-E729 HydrophobicContact CB-CB 3.73Å; L613-V733 HydrophobicContact CD1-CB 4.28Å; L613-V733 HydrophobicContact CD1-CG2 4.14Å; L613-V733 HydrophobicContact CD2-CG2 4.45Å
614	I	92.3	Very high	88.3	Confident	29 Å²	29	39.2 Å²	39.2	15%	0.149	20%	0.199	C	C	.	.	H	α-helix	trans	-57.1	-37.9	171.6	172.9	60.9	0	0	0	112.8	P612 N616 V617 Q618 E729 K1033 A1034	P612-I614 VanDerWaalsContact C-N 3.29Å; P612-I614 HydrophobicContact CB-CG2 3.94Å; P612-I614 PolarHBondContact O-N 2.73Å; I614-N616 VanDerWaalsContact C-N 3.32Å; I614-V617 PolarHBondContact O-N 3.32Å; I614-Q618 HydrophobicContact CD1-CG 4.12Å; I614-Q618 HydrophobicContact CG1-CG 4.48Å; I614-Q618 VanDerWaalsContact O-CG 3.28Å; I614-Q618 WeakPolarHBondContact O-CG 3.46Å; I614-Q618 PolarHBondContact O-N 2.79Å; I614-E729 HydrophobicContact CB-CG 4.5Å; I614-E729 WeakPolarHBondContact CD1-OE1 3.45Å; I614-K1033 HydrophobicContact CD1-CB 3.87Å; I614-A1034 HydrophobicContact CD1-CB 3.87Å
615	V	91.4	Very high	89.5	Confident	19 Å²	19	32.6 Å²	32.6	12%	0.115	17%	0.171	C	C	.	.	H	α-helix	trans	-71.7	-30.4	178.4	177.7	0	0	0	0	110.8	Y603 V611 P612 L613 Q618 R619	Y603-V615 HydrophobicContact CD2-CG2 4.09Å; Y603-V615 HydrophobicContact CE2-CG2 4.36Å; V611-V615 HydrophobicContact CG1-CB 3.73Å; V611-V615 HydrophobicContact CG1-CG1 3.66Å; P612-V615 HydrophobicContact CB-CG2 4.22Å; P612-V615 HydrophobicContact CG-CG2 4.06Å; P612-V615 WeakPolarHBondContact O-CA 3.35Å; P612-V615 WeakPolarHBondContact O-CB 3.19Å; P612-V615 PolarHBondContact O-N 3.41Å; L613-V615 VanDerWaalsContact C-N 3.29Å; L613-V615 PolarHBondContact O-N 2.85Å; V615-Q618 PolarHBondContact O-N 3.05Å; V615-R619 WeakPolarHBondContact O-CB 3.32Å; V615-R619 WeakPolarHBondContact O-CD 3.22Å; V615-R619 VanDerWaalsContact O-CG 3.26Å; V615-R619 WeakPolarHBondContact O-CG 3.34Å; V615-R619 PolarHBondContact O-N 3.03Å; V615-R619 VanDerWaalsContact O-N 3.17Å
616	N	91.6	Very high	90.3	Very high	4 Å²	4	28.1 Å²	28.1	2%	0.021	15%	0.147	C	C	.	.	H	α-helix	trans	-65.4	-47.7	170.3	-58.1	-17.9	0	0	0	110.3	V611 P612 L613 I614 Q618 R619 S620 Q622 P623	V611-N616 VanDerWaalsContact CG1-OD1 3.3Å; V611-N616 WeakPolarHBondContact CG1-OD1 3.24Å; P612-N616 PolarHBondContact O-N 2.8Å; L613-N616 WeakPolarHBondContact O-CB 3.22Å; L613-N616 PolarHBondContact O-N 3.4Å; L613-N616 VanDerWaalsContact O-N 3.12Å; I614-N616 VanDerWaalsContact C-N 3.32Å; N616-Q618 VanDerWaalsContact C-N 3.29Å; N616-Q618 PolarHBondContact O-N 2.82Å; N616-R619 PolarHBondContact O-N 2.93Å; N616-S620 PolarHBondContact O-N 2.93Å; N616-S620 PolarHBondContact O-OG 2.78Å; N616-S620 VanDerWaalsContact O-OG 3.09Å; N616-Q622 CarbonylContact C-O 3.6Å; N616-P623 WeakPolarHBondContact CB-O 3.48Å; N616-P623 PolarHBondContact ND2-O 3.45Å
617	V	92.4	Very high	90.8	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-56.8	-42.8	175	-178.1	0	0	0	0	111.7	L613 I614 R619 G621 P623 E729 W1030 A1034 L1038	L613-V617 PolarHBondContact O-N 3.25Å; I614-V617 PolarHBondContact O-N 3.32Å; V617-R619 PolarHBondContact O-N 3.49Å; V617-G621 VanDerWaalsContact O-CA 3.25Å; V617-G621 WeakPolarHBondContact O-CA 3.39Å; V617-G621 PolarHBondContact O-N 3.39Å; V617-P623 HydrophobicContact CG2-CB 3.7Å; V617-P623 HydrophobicContact CG2-CG 4.35Å; V617-E729 HydrophobicContact CG2-CG 3.66Å; V617-W1030 HydrophobicContact CG1-CZ2 3.91Å; V617-A1034 HydrophobicContact CG1-CB 3.81Å; V617-L1038 HydrophobicContact CG1-CD2 4.33Å; V617-L1038 WeakPolarHBondContact O-CD2 3.42Å
618	Q	90.5	Very high	91.4	Very high	51 Å²	51	20.1 Å²	20.1	24%	0.238	11%	0.109	C	C	.	.	H	α-helix	trans	-66.1	-20.2	177.8	-70.8	172.9	-21.9	0	0	113.9	I614 V615 N616 K1033 H1037	I614-Q618 HydrophobicContact CD1-CG 4.12Å; I614-Q618 HydrophobicContact CG1-CG 4.48Å; I614-Q618 VanDerWaalsContact O-CG 3.28Å; I614-Q618 WeakPolarHBondContact O-CG 3.46Å; I614-Q618 PolarHBondContact O-N 2.79Å; V615-Q618 PolarHBondContact O-N 3.05Å; N616-Q618 VanDerWaalsContact C-N 3.29Å; N616-Q618 PolarHBondContact O-N 2.82Å; Q618-K1033 PolarHBondContact NE2-O 3.37Å; Q618-H1037 HydrophobicContact CB-CB 4.13Å; Q618-H1037 HydrophobicContact CG-CB 4.13Å
619	R	86.3	Confident	91.6	Very high	106 Å²	106	20.9 Å²	20.9	40%	0.4	11%	0.112	S	C	.	.	H	α-helix	trans	-96.7	-44.4	179.3	-73.8	170	171.5	-178.5	-6.1	113.3	Y603 K606 N607 V615 N616 V617	Y603-R619 PolarHBondContact O-NH2 3.1Å; K606-R619 PolarHBondContact O-NH1 3.19Å; K606-R619 PolarHBondContact O-NH2 2.77Å; N607-R619 PolarHBondContact O-NH1 2.88Å; V615-R619 WeakPolarHBondContact O-CB 3.32Å; V615-R619 WeakPolarHBondContact O-CD 3.22Å; V615-R619 VanDerWaalsContact O-CG 3.26Å; V615-R619 WeakPolarHBondContact O-CG 3.34Å; V615-R619 PolarHBondContact O-N 3.03Å; V615-R619 VanDerWaalsContact O-N 3.17Å; N616-R619 PolarHBondContact O-N 2.93Å; V617-R619 PolarHBondContact O-N 3.49Å
620	S	84.6	Confident	91.6	Very high	59 Å²	59	22.9 Å²	22.9	41%	0.413	12%	0.121	S	C	.	.	H	α-helix	trans	-125.9	3.1	-169.4	64.3	0	0	0	0	114.7	N616 Q622	N616-S620 PolarHBondContact O-N 2.93Å; N616-S620 PolarHBondContact O-OG 2.78Å; N616-S620 VanDerWaalsContact O-OG 3.09Å; S620-Q622 PolarHBondContact O-N 2.87Å; S620-Q622 PolarHBondContact OG-O 2.79Å
621	G	88.5	Confident	91.8	Very high	13 Å²	13	22.6 Å²	22.6	13%	0.134	12%	0.118	C	C	.	.	S	Bend	trans	75.7	-2.8	-178.1	0	0	0	0	0	115.8	V617 R952	V617-G621 VanDerWaalsContact O-CA 3.25Å; V617-G621 WeakPolarHBondContact O-CA 3.39Å; V617-G621 PolarHBondContact O-N 3.39Å; G621-R952 PolarHBondContact O-NH1 2.89Å
622	Q	91.4	Very high	92.1	Very high	20 Å²	20	23 Å²	23	9%	0.093	12%	0.12	C	C	.	.	S	Bend	trans	-138.3	136.4	-173.3	-52.4	-175	12.1	0	0	110.1	N616 S620 L624 D929 M953	N616-Q622 CarbonylContact C-O 3.6Å; S620-Q622 PolarHBondContact O-N 2.87Å; S620-Q622 PolarHBondContact OG-O 2.79Å; Q622-L624 PolarHBondContact O-N 2.88Å; Q622-D929 PolarHBondContact NE2-OD1 3.25Å; Q622-M953 HydrophobicContact CB-SD 4.47Å
623	P	94.1	Very high	92.2	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.134	C	C	.	.	S	Bend	trans	-73.8	-24.7	-172.2	29.5	-38.5	0	0	0	114.3	L613 N616 V617 E729 E732 V733 M953	L613-P623 HydrophobicContact CB-CB 4.16Å; L613-P623 WeakPolarHBondContact CD2-O 3.34Å; N616-P623 WeakPolarHBondContact CB-O 3.48Å; N616-P623 PolarHBondContact ND2-O 3.45Å; V617-P623 HydrophobicContact CG2-CB 3.7Å; V617-P623 HydrophobicContact CG2-CG 4.35Å; P623-E729 HydrophobicContact CB-CB 3.8Å; P623-E729 HydrophobicContact CB-CG 4.31Å; P623-E732 WeakPolarHBondContact CD-OE2 3.34Å; P623-E732 HydrophobicContact CG-CB 4.16Å; P623-E732 HydrophobicContact CG-CG 3.91Å; P623-E732 VanDerWaalsContact CG-OE2 3.26Å; P623-E732 WeakPolarHBondContact CG-OE2 3.43Å; P623-V733 HydrophobicContact CB-CG2 3.66Å; P623-V733 HydrophobicContact CG-CG2 3.55Å; P623-M953 VanDerWaalsContact CD-SD 3.58Å; P623-M953 HydrophobicContact CG-SD 3.72Å
624	L	93.6	Very high	92.3	Very high	3 Å²	3	28.6 Å²	28.6	2%	0.016	14%	0.138	C	C	.	.	S	Bend	trans	-101.9	119.3	174.3	-168.1	63.6	0	0	0	109.1	Q622 L628 Q629 L632 F686 V733 M953	Q622-L624 PolarHBondContact O-N 2.88Å; L624-L628 HydrophobicContact CD1-CB 3.7Å; L624-L628 HydrophobicContact CD1-CG 4.26Å; L624-L628 HydrophobicContact CD2-CB 4.41Å; L624-L628 HydrophobicContact CG-CB 3.82Å; L624-Q629 HydrophobicContact CB-CG 4.26Å; L624-Q629 HydrophobicContact CD2-CG 3.99Å; L624-Q629 HydrophobicContact CG-CG 4.13Å; L624-Q629 PolarHBondContact O-NE2 2.71Å; L624-L632 HydrophobicContact CD2-CD1 3.78Å; L624-F686 HydrophobicContact CD1-CD1 4.2Å; L624-F686 HydrophobicContact CD1-CE1 3.53Å; L624-F686 HydrophobicContact CD1-CZ 3.94Å; L624-V733 HydrophobicContact CB-CG2 4.21Å; L624-M953 HydrophobicContact CB-CE 3.61Å; L624-M953 HydrophobicContact CB-SD 4.25Å; L624-M953 HydrophobicContact CD2-CE 4.06Å; L624-M953 HydrophobicContact CG-CE 4.49Å
625	P	92.6	Very high	92.5	Very high	9 Å²	9	27.2 Å²	27.2	6%	0.058	13%	0.13	C	C	.	.			trans	-57.7	150.5	179.1	-27.8	37.8	0	0	0	112.8	V608 G627 L628 Q629	V608-P625 HydrophobicContact CG1-CG 4.28Å; V608-P625 HydrophobicContact CG2-CB 4.2Å; V608-P625 HydrophobicContact CG2-CG 4.28Å; P625-G627 VanDerWaalsContact C-N 3.32Å; P625-G627 PolarHBondContact O-N 3.38Å; P625-L628 WeakPolarHBondContact O-CA 3.48Å; P625-L628 WeakPolarHBondContact O-CB 3.38Å; P625-L628 PolarHBondContact O-N 3.1Å; P625-Q629 PolarHBondContact O-N 3.04Å; P625-Q629 VanDerWaalsContact O-N 3.11Å
626	L	90.1	Very high	92.7	Very high	63 Å²	63	30.2 Å²	30.2	33%	0.33	14%	0.14	S	C	.	.	H	α-helix	trans	-60.1	-39.4	-170.4	-177.5	57.3	0	0	0	112.6	L628 Q629 Q630 D667	L626-L628 VanDerWaalsContact C-N 3.27Å; L626-L628 PolarHBondContact O-N 2.89Å; L626-Q629 CarbonylContact O-C 3.57Å; L626-Q629 WeakPolarHBondContact O-CA 3.35Å; L626-Q629 WeakPolarHBondContact O-CB 3.46Å; L626-Q629 PolarHBondContact O-N 2.81Å; L626-Q630 WeakPolarHBondContact O-CG 3.36Å; L626-Q630 PolarHBondContact O-N 2.67Å; L626-D667 HydrophobicContact CD2-CB 4.15Å
627	G	92.8	Very high	92.8	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-59.9	-30.5	173.2	0	0	0	0	0	114.2	P625 A631 N662 P666 Y671	P625-G627 VanDerWaalsContact C-N 3.32Å; P625-G627 PolarHBondContact O-N 3.38Å; G627-A631 PolarHBondContact O-N 3.36Å; G627-N662 WeakPolarHBondContact CA-OD1 3.38Å; G627-P666 WeakPolarHBondContact CA-O 3.38Å; G627-P666 PolarHBondContact N-O 3.5Å; G627-Y671 VanDerWaalsContact O-CE2 3.26Å; G627-Y671 WeakPolarHBondContact O-CE2 3.49Å; G627-Y671 PolarHBondContact O-OH 3.48Å
628	L	94.6	Very high	93	Very high	2 Å²	2	38.6 Å²	38.6	1%	0.01	19%	0.188	C	C	.	.	H	α-helix	trans	-79.1	-30.9	172.9	-89.6	-70.5	0	0	0	111.8	V608 F609 L624 P625 L626 A631 L632 N662 M682 V683 F686	V608-L628 HydrophobicContact CG1-CD2 3.76Å; F609-L628 HydrophobicContact CZ-CD2 4.48Å; L624-L628 HydrophobicContact CD1-CB 3.7Å; L624-L628 HydrophobicContact CD1-CG 4.26Å; L624-L628 HydrophobicContact CD2-CB 4.41Å; L624-L628 HydrophobicContact CG-CB 3.82Å; P625-L628 WeakPolarHBondContact O-CA 3.48Å; P625-L628 WeakPolarHBondContact O-CB 3.38Å; P625-L628 PolarHBondContact O-N 3.1Å; L626-L628 VanDerWaalsContact C-N 3.27Å; L626-L628 PolarHBondContact O-N 2.89Å; L628-A631 PolarHBondContact O-N 2.88Å; L628-L632 WeakPolarHBondContact O-CG 3.36Å; L628-L632 PolarHBondContact O-N 3.22Å; L628-L632 VanDerWaalsContact O-N 3.1Å; L628-N662 WeakPolarHBondContact CD2-OD1 3.28Å; L628-M682 HydrophobicContact CD1-CE 4.17Å; L628-M682 HydrophobicContact CD2-CE 4.48Å; L628-V683 HydrophobicContact CD1-CG2 4.06Å; L628-F686 HydrophobicContact CD1-CB 3.96Å; L628-F686 HydrophobicContact CD1-CD1 4.37Å; L628-F686 HydrophobicContact CD1-CD2 4.42Å; L628-F686 HydrophobicContact CD1-CG 4Å; L628-F686 HydrophobicContact CD2-CD2 4.47Å; L628-F686 HydrophobicContact CG-CD1 4.5Å; L628-F686 HydrophobicContact CG-CD2 4.13Å; L628-F686 HydrophobicContact CG-CE2 4.47Å; L628-F686 HydrophobicContact CG-CG 4.15Å
629	Q	93.9	Very high	93.2	Very high	16 Å²	16	36.3 Å²	36.3	8%	0.075	18%	0.177	C	C	.	.	H	α-helix	trans	-69.5	-39.1	170	-60.1	-178.7	44.6	0	0	111.6	L624 P625 L626 A631 L632 R633 M953	L624-Q629 HydrophobicContact CB-CG 4.26Å; L624-Q629 HydrophobicContact CD2-CG 3.99Å; L624-Q629 HydrophobicContact CG-CG 4.13Å; L624-Q629 PolarHBondContact O-NE2 2.71Å; P625-Q629 PolarHBondContact O-N 3.04Å; P625-Q629 VanDerWaalsContact O-N 3.11Å; L626-Q629 CarbonylContact O-C 3.57Å; L626-Q629 WeakPolarHBondContact O-CA 3.35Å; L626-Q629 WeakPolarHBondContact O-CB 3.46Å; L626-Q629 PolarHBondContact O-N 2.81Å; Q629-A631 VanDerWaalsContact C-N 3.34Å; Q629-L632 PolarHBondContact O-N 2.91Å; Q629-R633 WeakPolarHBondContact O-CB 3.49Å; Q629-R633 PolarHBondContact O-N 2.79Å; Q629-M953 VanDerWaalsContact OE1-CB 3.3Å
630	Q	93.8	Very high	93.7	Very high	46 Å²	46	32.8 Å²	32.8	22%	0.215	17%	0.166	C	C	.	.	H	α-helix	trans	-60.1	-43.2	171.6	-73.8	164.1	-11.2	0	0	110.5	L626 R633 Y634 D667 V669 Y671	L626-Q630 WeakPolarHBondContact O-CG 3.36Å; L626-Q630 PolarHBondContact O-N 2.67Å; Q630-R633 PolarHBondContact O-N 2.82Å; Q630-Y634 WeakPolarHBondContact O-CB 3.31Å; Q630-Y634 PolarHBondContact O-N 3.31Å; Q630-D667 PolarHBondContact NE2-O 2.73Å; Q630-V669 VanDerWaalsContact OE1-N 3.11Å; Q630-V669 PolarHBondContact OE1-O 3.37Å; Q630-Y671 HydrophobicContact CB-CD2 4.1Å; Q630-Y671 HydrophobicContact CB-CE2 3.76Å
631	A	96.1	Very high	94.2	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-59.8	-47.2	174.2	0	0	0	0	0	113.2	G627 L628 Q629 L635 Y671 V679 M682 V683	G627-A631 PolarHBondContact O-N 3.36Å; L628-A631 PolarHBondContact O-N 2.88Å; Q629-A631 VanDerWaalsContact C-N 3.34Å; A631-L635 WeakPolarHBondContact O-CG 3.48Å; A631-L635 PolarHBondContact O-N 3.29Å; A631-L635 VanDerWaalsContact O-N 3.09Å; A631-Y671 HydrophobicContact CB-CE1 4.07Å; A631-Y671 HydrophobicContact CB-CE2 3.95Å; A631-V679 HydrophobicContact CB-CG1 3.72Å; A631-M682 HydrophobicContact CB-CE 3.94Å; A631-V683 HydrophobicContact CB-CG2 4.13Å
632	L	95.9	Very high	94.7	Very high	9 Å²	9	35.6 Å²	35.6	5%	0.047	17%	0.172	C	C	.	.	H	α-helix	trans	-66.3	-38.3	177	-68.2	180	0	0	0	112	L624 L628 Q629 L635 R636 V683 T736 F740	L624-L632 HydrophobicContact CD2-CD1 3.78Å; L628-L632 WeakPolarHBondContact O-CG 3.36Å; L628-L632 PolarHBondContact O-N 3.22Å; L628-L632 VanDerWaalsContact O-N 3.1Å; Q629-L632 PolarHBondContact O-N 2.91Å; L632-L635 PolarHBondContact O-N 2.96Å; L632-R636 WeakPolarHBondContact O-CB 3.37Å; L632-R636 PolarHBondContact O-N 3.29Å; L632-V683 HydrophobicContact CD2-CG1 4.08Å; L632-V683 HydrophobicContact CD2-CG2 4.33Å; L632-T736 HydrophobicContact CD1-CG2 4.32Å; L632-F740 HydrophobicContact CB-CD2 4.41Å; L632-F740 HydrophobicContact CD2-CD1 3.82Å; L632-F740 HydrophobicContact CD2-CD2 4.33Å; L632-F740 HydrophobicContact CD2-CE1 3.83Å; L632-F740 HydrophobicContact CD2-CE2 4.34Å; L632-F740 HydrophobicContact CD2-CG 4.08Å; L632-F740 HydrophobicContact CD2-CZ 4.1Å; L632-F740 WeakPolarHBondContact O-CE2 3.44Å
633	R	94.8	Very high	94.9	Very high	123 Å²	123	37.2 Å²	37.2	46%	0.464	18%	0.183	S	C	.	.	H	α-helix	trans	-62.1	-49.2	175.4	-176.2	-178.8	-73.3	105.4	-6	111	Q629 Q630 L635 R636 S637	Q629-R633 WeakPolarHBondContact O-CB 3.49Å; Q629-R633 PolarHBondContact O-N 2.79Å; Q630-R633 PolarHBondContact O-N 2.82Å; R633-L635 PolarHBondContact O-N 3.29Å; R633-R636 PolarHBondContact O-N 3.29Å; R633-R636 VanDerWaalsContact O-N 3.16Å; R633-S637 PolarHBondContact O-N 3.08Å; R633-S637 PolarHBondContact O-OG 3.24Å
634	Y	96.3	Very high	95	Very high	28 Å²	28	37.2 Å²	37.2	11%	0.11	18%	0.183	C	C	.	.	H	α-helix	trans	-54.8	-50.6	176.2	171.4	-106.2	0	0	0	111.8	Q630 R636 S637 Q638 C639 Y671 E672 Q674 V679	Q630-Y634 WeakPolarHBondContact O-CB 3.31Å; Q630-Y634 PolarHBondContact O-N 3.31Å; Y634-R636 VanDerWaalsContact C-N 3.29Å; Y634-R636 PolarHBondContact O-N 3.11Å; Y634-S637 PolarHBondContact O-N 2.81Å; Y634-S637 PolarHBondContact O-OG 3.38Å; Y634-Q638 HydrophobicContact CD2-CB 4.3Å; Y634-Q638 HydrophobicContact CE2-CB 4.07Å; Y634-Q638 HydrophobicContact CE2-CG 4.49Å; Y634-Q638 VanDerWaalsContact CE2-OE1 3.26Å; Y634-Q638 PolarHBondContact O-N 3.37Å; Y634-C639 WeakPolarHBondContact CE1-SG 3Å; Y634-Y671 VanDerWaalsContact CE2-O 3.3Å; Y634-Y671 WeakPolarHBondContact CE2-O 3.24Å; Y634-Y671 PolarHBondContact OH-O 2.88Å; Y634-E672 PolarHBondContact OH-O 2.74Å; Y634-Q674 WeakPolarHBondContact CE1-O 3.39Å; Y634-Q674 PolarHBondContact OH-O 3.11Å; Y634-V679 HydrophobicContact CD1-CG1 4.41Å; Y634-V679 HydrophobicContact CD1-CG2 4.24Å; Y634-V679 HydrophobicContact CE1-CG2 4.12Å
635	L	97.1	Very high	95.2	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-60.5	-37.2	178.5	-71.1	180	0	0	0	112.7	A631 L632 R633 C639 L640 L645 F646 A676 V679 A680 F740	A631-L635 WeakPolarHBondContact O-CG 3.48Å; A631-L635 PolarHBondContact O-N 3.29Å; A631-L635 VanDerWaalsContact O-N 3.09Å; L632-L635 PolarHBondContact O-N 2.96Å; R633-L635 PolarHBondContact O-N 3.29Å; L635-C639 HydrophobicContact CD2-CB 3.86Å; L635-C639 CarbonylContact O-C 3.46Å; L635-C639 WeakPolarHBondContact O-CB 3.39Å; L635-C639 PolarHBondContact O-N 2.79Å; L635-L640 PolarHBondContact O-N 2.78Å; L635-L645 HydrophobicContact CD2-CD1 4.07Å; L635-F646 HydrophobicContact CD1-CZ 3.88Å; L635-A676 HydrophobicContact CD2-CB 4.08Å; L635-V679 HydrophobicContact CD1-CG1 4.11Å; L635-V679 HydrophobicContact CD2-CB 4.14Å; L635-V679 HydrophobicContact CD2-CG1 4.28Å; L635-V679 HydrophobicContact CG-CB 4.41Å; L635-V679 HydrophobicContact CG-CG1 4.01Å; L635-A680 HydrophobicContact CD1-CB 4.26Å; L635-F740 HydrophobicContact CB-CE2 3.8Å; L635-F740 HydrophobicContact CB-CZ 3.8Å; L635-F740 HydrophobicContact CD1-CZ 4.09Å
636	R	95.5	Very high	95.4	Very high	82 Å²	82	36.7 Å²	36.7	31%	0.309	18%	0.179	S	C	.	.	H	α-helix	trans	-71.4	-36.6	175.9	-179.6	-174	-82.2	151.4	-12.3	112.9	L632 R633 Y634 L640 F740 D743	L632-R636 WeakPolarHBondContact O-CB 3.37Å; L632-R636 PolarHBondContact O-N 3.29Å; R633-R636 PolarHBondContact O-N 3.29Å; R633-R636 VanDerWaalsContact O-N 3.16Å; Y634-R636 VanDerWaalsContact C-N 3.29Å; Y634-R636 PolarHBondContact O-N 3.11Å; R636-L640 VanDerWaalsContact O-CD1 3.24Å; R636-L640 WeakPolarHBondContact O-CD1 3.39Å; R636-L640 WeakPolarHBondContact O-CG 3.48Å; R636-F740 HydrophobicContact CB-CD2 4.17Å; R636-F740 HydrophobicContact CB-CE2 4.19Å; R636-D743 IonicContact CZ-OD2 2.74Å; R636-D743 IonicContact NE-OD2 3.83Å; R636-D743 PolarHBondContact NE-OD2 2.97Å; R636-D743 IonicContact NH2-OD2 3.6Å; R636-D743 PolarHBondContact NH2-OD2 2.83Å
637	S	94.6	Very high	95.7	Very high	80 Å²	80	38.9 Å²	38.9	56%	0.559	18%	0.183	S	C	*	.	H	α-helix	trans	-90.5	-23	-173.9	55.6	0	0	0	0	114.9	R633 Y634	R633-S637 PolarHBondContact O-N 3.08Å; R633-S637 PolarHBondContact O-OG 3.24Å; Y634-S637 PolarHBondContact O-N 2.81Å; Y634-S637 PolarHBondContact O-OG 3.38Å
638	Q	95.3	Very high	95.9	Very high	100 Å²	100	43 Å²	43	47%	0.467	20%	0.201	S	C	.	.	H	α-helix	trans	-136.9	1.2	-169.9	-62.3	-176	21.8	0	0	114.5	Y634	Y634-Q638 HydrophobicContact CD2-CB 4.3Å; Y634-Q638 HydrophobicContact CE2-CB 4.07Å; Y634-Q638 HydrophobicContact CE2-CG 4.49Å; Y634-Q638 VanDerWaalsContact CE2-OE1 3.26Å; Y634-Q638 PolarHBondContact O-N 3.37Å
639	C	96.5	Very high	95.9	Very high	3 Å²	3	47.6 Å²	47.6	2%	0.02	23%	0.234	C	C	.	.			trans	-138.4	12.8	-172.4	-49.6	0	0	0	0	115.7	Y634 L635 D641 Q642 A676	Y634-C639 WeakPolarHBondContact CE1-SG 3Å; L635-C639 HydrophobicContact CD2-CB 3.86Å; L635-C639 CarbonylContact O-C 3.46Å; L635-C639 WeakPolarHBondContact O-CB 3.39Å; L635-C639 PolarHBondContact O-N 2.79Å; C639-D641 PolarHBondContact O-N 2.81Å; C639-Q642 HydrophobicContact CB-CG 3.93Å; C639-Q642 WeakPolarHBondContact O-CB 3.05Å; C639-Q642 WeakPolarHBondContact O-CG 3.48Å; C639-Q642 PolarHBondContact O-N 3.38Å; C639-A676 HydrophobicContact CB-CB 3.7Å; C639-A676 VanDerWaalsContact SG-CB 3.59Å
640	L	96.5	Very high	96	Very high	33 Å²	33	47.5 Å²	47.5	17%	0.173	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-18.9	-179.3	-66.6	-176.2	0	0	0	113.4	L635 R636 Q642 V744 S747 N751	L635-L640 PolarHBondContact O-N 2.78Å; R636-L640 VanDerWaalsContact O-CD1 3.24Å; R636-L640 WeakPolarHBondContact O-CD1 3.39Å; R636-L640 WeakPolarHBondContact O-CG 3.48Å; L640-Q642 VanDerWaalsContact C-N 3.34Å; L640-V744 HydrophobicContact CD2-CB 4.45Å; L640-V744 HydrophobicContact CD2-CG2 3.73Å; L640-S747 WeakPolarHBondContact O-CB 3.34Å; L640-N751 VanDerWaalsContact O-CB 3.27Å; L640-N751 WeakPolarHBondContact O-CB 3.2Å; L640-N751 PolarHBondContact O-ND2 3.49Å
641	D	95.4	Very high	96.2	Very high	74 Å²	74	48.6 Å²	48.6	40%	0.396	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-18	174.3	70.2	-39.8	0	0	0	113.3	C639 V643 E750	C639-D641 PolarHBondContact O-N 2.81Å; D641-V643 PolarHBondContact O-N 2.74Å; D641-E750 WeakPolarHBondContact CA-OE2 3.24Å; D641-E750 WeakPolarHBondContact CB-OE2 3.43Å
642	Q	97.1	Very high	96.2	Very high	57 Å²	57	57.2 Å²	57.2	27%	0.266	28%	0.284	S	S	.	.			trans	-71.2	94.9	-163.7	-66.6	-58.2	-53.4	0	0	113.2	C639 L640 G644 L645 A676 Y677	C639-Q642 HydrophobicContact CB-CG 3.93Å; C639-Q642 WeakPolarHBondContact O-CB 3.05Å; C639-Q642 WeakPolarHBondContact O-CG 3.48Å; C639-Q642 PolarHBondContact O-N 3.38Å; L640-Q642 VanDerWaalsContact C-N 3.34Å; Q642-G644 PolarHBondContact O-N 3.17Å; Q642-L645 HydrophobicContact CB-CD1 4.45Å; Q642-L645 PolarHBondContact O-N 3.25Å; Q642-A676 HydrophobicContact CB-CB 4.41Å; Q642-A676 HydrophobicContact CG-CB 3.9Å; Q642-Y677 HydrophobicContact CB-CE1 4.18Å
643	V	97.1	Very high	96.3	Very high	53 Å²	53	60.9 Å²	60.9	32%	0.321	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-37.5	112.5	176.7	-179.8	0	0	0	0	112.2	D641 K648 Y677 E750 N751 Q752	D641-V643 PolarHBondContact O-N 2.74Å; V643-K648 VanDerWaalsContact O-CD 3.28Å; V643-K648 WeakPolarHBondContact O-CD 3.46Å; V643-K648 WeakPolarHBondContact O-CE 3.46Å; V643-K648 PolarHBondContact O-NZ 3.02Å; V643-Y677 PolarHBondContact O-OH 3.14Å; V643-E750 WeakPolarHBondContact CG2-O 3.48Å; V643-N751 CarbonylContact C-O 3.44Å; V643-N751 WeakPolarHBondContact CA-O 3.33Å; V643-Q752 HydrophobicContact CG1-CG 4.35Å
644	G	95.9	Very high	96.4	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.5	28.8	179.9	0	0	0	0	0	115.7	Q642 R647 K648 N751	Q642-G644 PolarHBondContact O-N 3.17Å; G644-R647 WeakPolarHBondContact O-CA 3.49Å; G644-R647 WeakPolarHBondContact O-CB 3.41Å; G644-R647 PolarHBondContact O-N 2.88Å; G644-K648 PolarHBondContact O-N 3.26Å; G644-N751 PolarHBondContact N-O 2.71Å
645	L	96.5	Very high	96.5	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.3	141.4	169.4	-166.1	66.7	0	0	0	110.8	L635 Q642 R647 A676 A680 V744 M753	L635-L645 HydrophobicContact CD2-CD1 4.07Å; Q642-L645 HydrophobicContact CB-CD1 4.45Å; Q642-L645 PolarHBondContact O-N 3.25Å; L645-R647 PolarHBondContact O-N 3.49Å; L645-A676 HydrophobicContact CD1-CB 3.98Å; L645-A680 HydrophobicContact CD1-CB 3.95Å; L645-A680 HydrophobicContact CG-CB 4.45Å; L645-V744 HydrophobicContact CD2-CG1 4.25Å; L645-V744 HydrophobicContact CD2-CG2 4.13Å; L645-M753 WeakPolarHBondContact O-CE 3.39Å; L645-M753 WeakPolarHBondContact O-CG 3.4Å
646	F	97.5	Very high	96.4	Very high	1 Å²	1	64.8 Å²	64.8	0%	0.004	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.9	-16	-167.9	-60.5	-80	0	0	0	117.3	L635 A680 V683 K684 F740 L741 I758 C761 L762	L635-F646 HydrophobicContact CD1-CZ 3.88Å; F646-A680 HydrophobicContact CD1-CB 3.71Å; F646-A680 HydrophobicContact CD2-CB 4.49Å; F646-A680 HydrophobicContact CE1-CB 3.66Å; F646-A680 WeakPolarHBondContact CE1-O 3.49Å; F646-A680 HydrophobicContact CE2-CB 4.43Å; F646-A680 HydrophobicContact CG-CB 4.13Å; F646-A680 HydrophobicContact CZ-CB 4.02Å; F646-V683 HydrophobicContact CE1-CB 4.38Å; F646-V683 HydrophobicContact CE1-CG1 4.28Å; F646-K684 HydrophobicContact CB-CD 4.49Å; F646-K684 HydrophobicContact CD1-CD 4.07Å; F646-K684 HydrophobicContact CD1-CG 3.97Å; F646-K684 PolarHBondContact O-NZ 3.37Å; F646-F740 AromaticContact CE2-CE1 3.59Å; F646-F740 HydrophobicContact CE2-CE1 3.59Å; F646-F740 AromaticContact CE2-CZ 3.86Å; F646-F740 HydrophobicContact CE2-CZ 3.86Å; F646-F740 AromaticContact CZ-CE1 3.56Å; F646-F740 HydrophobicContact CZ-CE1 3.56Å; F646-F740 AromaticContact CZ-CZ 3.91Å; F646-F740 HydrophobicContact CZ-CZ 3.91Å; F646-L741 HydrophobicContact CE2-CD2 4.31Å; F646-I758 HydrophobicContact CB-CD1 4.42Å; F646-I758 HydrophobicContact CD2-CD1 4.1Å; F646-C761 HydrophobicContact CB-CB 4.42Å; F646-L762 HydrophobicContact CD1-CD1 4.47Å
647	R	96.9	Very high	96.4	Very high	110 Å²	110	63.6 Å²	63.6	42%	0.415	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-48.7	177.6	178.1	177.7	63.5	176.2	-2.9	112.6	G644 L645 M753	G644-R647 WeakPolarHBondContact O-CA 3.49Å; G644-R647 WeakPolarHBondContact O-CB 3.41Å; G644-R647 PolarHBondContact O-N 2.88Å; L645-R647 PolarHBondContact O-N 3.49Å; R647-M753 HydrophobicContact CB-CE 3.82Å; R647-M753 HydrophobicContact CB-SD 3.74Å
648	K	96.3	Very high	96.5	Very high	86 Å²	86	59.9 Å²	59.9	37%	0.374	31%	0.312	S	S	.	.	S	Bend	trans	-68	138.6	171.3	-72.9	172.5	176.2	165.3	0	109.3	V643 G644 Y677	V643-K648 VanDerWaalsContact O-CD 3.28Å; V643-K648 WeakPolarHBondContact O-CD 3.46Å; V643-K648 WeakPolarHBondContact O-CE 3.46Å; V643-K648 PolarHBondContact O-NZ 3.02Å; G644-K648 PolarHBondContact O-N 3.26Å; K648-Y677 HydrophobicContact CB-CD1 3.85Å; K648-Y677 HydrophobicContact CB-CD2 4.48Å; K648-Y677 HydrophobicContact CB-CE1 4.09Å; K648-Y677 HydrophobicContact CB-CG 4.08Å; K648-Y677 HydrophobicContact CD-CD1 4.24Å; K648-Y677 HydrophobicContact CD-CD2 4.43Å; K648-Y677 HydrophobicContact CD-CE1 3.65Å; K648-Y677 HydrophobicContact CD-CE2 3.83Å; K648-Y677 VanDerWaalsContact CD-CZ 3.41Å; K648-Y677 HydrophobicContact CG-CE1 4.46Å; K648-Y677 PolarHBondContact NZ-OH 3.14Å
649	S	94.8	Very high	96.5	Very high	99 Å²	99	57.2 Å²	57.2	69%	0.692	30%	0.297	S	S	*	.			trans	-84.4	144.7	175.7	-52.4	0	0	0	0	111.4
650	G	95.8	Very high	96.3	Very high	14 Å²	14	63.2 Å²	63.2	14%	0.144	33%	0.325	C	S	.	.			trans	-85.1	177.5	173	0	0	0	0	0	113.5	K652 D678 D681	G650-K652 PolarHBondContact O-N 2.72Å; G650-D678 WeakPolarHBondContact CA-OD1 3.43Å; G650-D681 PolarHBondContact N-OD2 2.83Å
651	V	97.8	Very high	96.1	Very high	69 Å²	69	64.8 Å²	64.8	42%	0.418	33%	0.332	S	S	.	.			trans	-83.1	113.8	-179.1	-178.4	0	0	0	0	110	S653 R654 I655 D678	V651-S653 VanDerWaalsContact C-N 3.26Å; V651-S653 PolarHBondContact O-N 2.71Å; V651-R654 HydrophobicContact CB-CB 4.37Å; V651-R654 HydrophobicContact CB-CG 4.34Å; V651-R654 HydrophobicContact CG1-CG 4.37Å; V651-R654 PolarHBondContact O-N 2.92Å; V651-I655 WeakPolarHBondContact O-CG1 3.2Å; V651-I655 PolarHBondContact O-N 3.35Å; V651-D678 PolarHBondContact N-OD1 3.13Å
652	K	96.4	Very high	96	Very high	181 Å²	181	61.3 Å²	61.3	79%	0.787	31%	0.313	S	S	*	.	H	α-helix	trans	-49.2	-38	-172.7	-67.8	-179.6	-179.2	174.2	0	115.2	G650 H656	G650-K652 PolarHBondContact O-N 2.72Å; K652-H656 WeakPolarHBondContact O-CB 3.47Å; K652-H656 PolarHBondContact O-N 2.92Å
653	S	97.8	Very high	95.7	Very high	85 Å²	85	60.9 Å²	60.9	59%	0.594	31%	0.311	S	S	*	.	H	α-helix	trans	-70.2	-45.5	178.2	47.3	0	0	0	0	112.6	V651 H656 A657	V651-S653 VanDerWaalsContact C-N 3.26Å; V651-S653 PolarHBondContact O-N 2.71Å; S653-H656 PolarHBondContact O-N 2.73Å; S653-A657 PolarHBondContact O-N 3.23Å
654	R	97.6	Very high	95.3	Very high	107 Å²	107	62.2 Å²	62.2	40%	0.404	32%	0.323	S	S	.	.	H	α-helix	trans	-64.5	-43.1	175.6	-64.1	-167.9	-51	-171.5	8.6	111	V651 H656 A657 L658 S675 D678	V651-R654 HydrophobicContact CB-CB 4.37Å; V651-R654 HydrophobicContact CB-CG 4.34Å; V651-R654 HydrophobicContact CG1-CG 4.37Å; V651-R654 PolarHBondContact O-N 2.92Å; R654-H656 VanDerWaalsContact C-N 3.29Å; R654-H656 PolarHBondContact O-N 3.19Å; R654-A657 WeakPolarHBondContact O-CB 3.44Å; R654-A657 PolarHBondContact O-N 2.83Å; R654-A657 VanDerWaalsContact O-N 3.14Å; R654-L658 WeakPolarHBondContact O-CG 3.49Å; R654-L658 PolarHBondContact O-N 2.8Å; R654-S675 PolarHBondContact NH2-OG 3Å; R654-D678 WeakPolarHBondContact CB-OD2 3.07Å; R654-D678 IonicContact CZ-OD1 2.69Å; R654-D678 IonicContact CZ-OD2 3.31Å; R654-D678 IonicContact NE-OD2 2.87Å; R654-D678 PolarHBondContact NE-OD2 3.49Å; R654-D678 VanDerWaalsContact NH2-CG 3.28Å; R654-D678 IonicContact NH2-OD1 2.68Å; R654-D678 PolarHBondContact NH2-OD1 3.43Å; R654-D678 IonicContact NH2-OD2 3.89Å; R654-D678 PolarHBondContact NH2-OD2 3.14Å
655	I	97.3	Very high	94.6	Very high	3 Å²	3	64.9 Å²	64.9	2%	0.015	34%	0.342	C	S	.	.	H	α-helix	trans	-58.2	-40.9	172.8	-57.7	158.3	0	0	0	111.4	V651 L658 R659 D678 D681 M682	V651-I655 WeakPolarHBondContact O-CG1 3.2Å; V651-I655 PolarHBondContact O-N 3.35Å; I655-L658 PolarHBondContact O-N 2.96Å; I655-R659 WeakPolarHBondContact O-CG 3.37Å; I655-R659 PolarHBondContact O-N 2.94Å; I655-D678 HydrophobicContact CG1-CB 3.8Å; I655-D681 HydrophobicContact CD1-CB 3.51Å; I655-D681 WeakPolarHBondContact CD1-OD2 3.26Å; I655-D681 HydrophobicContact CG1-CB 4.06Å; I655-M682 HydrophobicContact CG2-CB 4.16Å
656	H	96.2	Very high	93.6	Very high	124 Å²	124	66.3 Å²	66.3	57%	0.574	35%	0.351	S	S	*	.	H	α-helix	trans	-65.7	-39.2	177.2	-174.4	38.5	0	0	0	112.5	K652 S653 R654 R659 Q660	K652-H656 WeakPolarHBondContact O-CB 3.47Å; K652-H656 PolarHBondContact O-N 2.92Å; S653-H656 PolarHBondContact O-N 2.73Å; R654-H656 VanDerWaalsContact C-N 3.29Å; R654-H656 PolarHBondContact O-N 3.19Å; H656-R659 PolarHBondContact O-N 3.37Å; H656-Q660 PolarHBondContact O-N 3.45Å
657	A	95.3	Very high	92.6	Very high	56 Å²	56	71 Å²	71	46%	0.463	38%	0.376	S	S	.	.	H	α-helix	trans	-62.6	-45.4	173.8	0	0	0	0	0	112	S653 R654 R659 Q660 M661	S653-A657 PolarHBondContact O-N 3.23Å; R654-A657 WeakPolarHBondContact O-CB 3.44Å; R654-A657 PolarHBondContact O-N 2.83Å; R654-A657 VanDerWaalsContact O-N 3.14Å; A657-R659 VanDerWaalsContact C-N 3.3Å; A657-R659 PolarHBondContact O-N 2.74Å; A657-Q660 PolarHBondContact O-N 3.45Å; A657-Q660 VanDerWaalsContact O-N 3.11Å; A657-M661 WeakPolarHBondContact O-CB 3.27Å; A657-M661 PolarHBondContact O-N 2.87Å
658	L	96.4	Very high	91.8	Very high	3 Å²	3	72.2 Å²	72.2	2%	0.016	39%	0.391	C	S	.	.	H	α-helix	trans	-58.5	-40.6	174.5	-67.3	174.8	0	0	0	112.2	R654 I655 M661 N662 Y671 Q674 D678 V679 M682	R654-L658 WeakPolarHBondContact O-CG 3.49Å; R654-L658 PolarHBondContact O-N 2.8Å; I655-L658 PolarHBondContact O-N 2.96Å; L658-M661 PolarHBondContact O-N 3.5Å; L658-N662 PolarHBondContact O-N 3.09Å; L658-N662 VanDerWaalsContact O-N 3.11Å; L658-N662 PolarHBondContact O-ND2 3.23Å; L658-Y671 HydrophobicContact CD2-CD1 4.27Å; L658-Y671 HydrophobicContact CD2-CE1 4.21Å; L658-Q674 HydrophobicContact CD2-CB 4.29Å; L658-Q674 HydrophobicContact CD2-CG 3.78Å; L658-D678 HydrophobicContact CD1-CB 3.94Å; L658-V679 HydrophobicContact CD1-CG2 4.13Å; L658-M682 HydrophobicContact CB-CG 4.5Å; L658-M682 HydrophobicContact CB-SD 3.67Å
659	R	95.1	Very high	91.4	Very high	44 Å²	44	68.5 Å²	68.5	17%	0.166	38%	0.375	C	S	.	.	H	α-helix	trans	-63.1	-43.8	173.7	-70.3	-175.4	65.5	159.9	3.4	112.1	F609 I655 H656 A657 N662 E663 M682 D689	F609-R659 VanDerWaalsContact CB-NH2 3.26Å; F609-R659 VanDerWaalsContact CD1-NH2 3.35Å; F609-R659 HydrophobicContact CD2-CB 4.41Å; F609-R659 HydrophobicContact CE1-CG 3.94Å; F609-R659 HydrophobicContact CE2-CB 3.96Å; F609-R659 HydrophobicContact CE2-CG 3.95Å; F609-R659 HydrophobicContact CZ-CB 4.17Å; F609-R659 HydrophobicContact CZ-CG 3.65Å; I655-R659 WeakPolarHBondContact O-CG 3.37Å; I655-R659 PolarHBondContact O-N 2.94Å; H656-R659 PolarHBondContact O-N 3.37Å; A657-R659 VanDerWaalsContact C-N 3.3Å; A657-R659 PolarHBondContact O-N 2.74Å; R659-N662 PolarHBondContact O-N 3.24Å; R659-E663 WeakPolarHBondContact O-CG 3.41Å; R659-E663 PolarHBondContact O-N 2.7Å; R659-M682 HydrophobicContact CG-CG 3.81Å; R659-D689 IonicContact CZ-OD2 2.73Å; R659-D689 IonicContact NH1-OD2 3.84Å; R659-D689 PolarHBondContact NH1-OD2 3.31Å; R659-D689 IonicContact NH2-OD2 3.98Å; R659-D689 PolarHBondContact NH2-OD2 3.38Å
660	Q	93.1	Very high	91.2	Very high	129 Å²	129	67.6 Å²	67.6	60%	0.603	36%	0.363	S	S	*	.	H	α-helix	trans	-63.6	-42	178.2	-175.5	176.8	-1.6	0	0	111.7	H656 A657 N662 E663 S664	H656-Q660 PolarHBondContact O-N 3.45Å; A657-Q660 PolarHBondContact O-N 3.45Å; A657-Q660 VanDerWaalsContact O-N 3.11Å; Q660-N662 VanDerWaalsContact C-N 3.35Å; Q660-N662 PolarHBondContact O-N 2.97Å; Q660-E663 PolarHBondContact O-N 3.24Å; Q660-E663 VanDerWaalsContact O-N 3.16Å; Q660-S664 PolarHBondContact O-N 2.63Å; Q660-S664 PolarHBondContact O-OG 2.91Å
661	M	92.2	Very high	91.1	Very high	66 Å²	66	67.1 Å²	67.1	33%	0.325	36%	0.357	S	S	.	.	H	α-helix	trans	-60.3	-41.5	177	-169.9	177.3	178.8	0	0	112.2	A657 L658 S664 S665 V669	A657-M661 WeakPolarHBondContact O-CB 3.27Å; A657-M661 PolarHBondContact O-N 2.87Å; L658-M661 PolarHBondContact O-N 3.5Å; M661-S664 PolarHBondContact O-OG 3.31Å; M661-S665 PolarHBondContact O-N 3.09Å; M661-V669 HydrophobicContact CE-CG1 3.94Å; M661-V669 HydrophobicContact CG-CG1 4.03Å; M661-V669 HydrophobicContact SD-CG1 3.88Å
662	N	92.7	Very high	90.8	Very high	0 Å²	0	69.2 Å²	69.2	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-68.1	-35.1	173.5	-83.4	-96.9	0	0	0	113.2	V608 F609 G627 L628 L658 R659 Q660 P666 Y671	V608-N662 VanDerWaalsContact CG2-O 3.3Å; V608-N662 WeakPolarHBondContact CG2-O 3.29Å; F609-N662 HydrophobicContact CE2-CB 3.99Å; G627-N662 WeakPolarHBondContact CA-OD1 3.38Å; L628-N662 WeakPolarHBondContact CD2-OD1 3.28Å; L658-N662 PolarHBondContact O-N 3.09Å; L658-N662 VanDerWaalsContact O-N 3.11Å; L658-N662 PolarHBondContact O-ND2 3.23Å; R659-N662 PolarHBondContact O-N 3.24Å; Q660-N662 VanDerWaalsContact C-N 3.35Å; Q660-N662 PolarHBondContact O-N 2.97Å; N662-P666 WeakPolarHBondContact O-CA 3.41Å; N662-P666 WeakPolarHBondContact O-CB 3.33Å; N662-Y671 PolarHBondContact ND2-OH 3.28Å; N662-Y671 PolarHBondContact OD1-OH 3.44Å
663	E	90.9	Very high	90.5	Very high	48 Å²	48	67.8 Å²	67.8	22%	0.224	36%	0.363	C	S	.	.	H	α-helix	trans	-72.8	-34.2	176.1	-68.7	-78.4	-171.8	0	0	112.4	N607 V608 F609 R659 Q660	N607-E663 WeakPolarHBondContact CA-OE2 3.48Å; N607-E663 WeakPolarHBondContact CB-OE2 3.2Å; N607-E663 PolarHBondContact N-OE2 2.62Å; N607-E663 PolarHBondContact ND2-O 2.8Å; V608-E663 PolarHBondContact N-OE2 2.85Å; F609-E663 WeakPolarHBondContact CB-OE1 3.3Å; F609-E663 HydrophobicContact CD2-CG 4.02Å; F609-E663 WeakPolarHBondContact CD2-OE1 3.36Å; F609-E663 PolarHBondContact N-OE1 2.79Å; R659-E663 WeakPolarHBondContact O-CG 3.41Å; R659-E663 PolarHBondContact O-N 2.7Å; Q660-E663 PolarHBondContact O-N 3.24Å; Q660-E663 VanDerWaalsContact O-N 3.16Å
664	S	88.3	Confident	90.4	Very high	81 Å²	81	66.2 Å²	66.2	57%	0.566	35%	0.346	S	S	*	.	H	α-helix	trans	-82.8	-33.1	-179.6	63.7	0	0	0	0	113.9	Q660 M661	Q660-S664 PolarHBondContact O-N 2.63Å; Q660-S664 PolarHBondContact O-OG 2.91Å; M661-S664 PolarHBondContact O-OG 3.31Å
665	S	81.4	Confident	90.3	Very high	57 Å²	57	63 Å²	63	40%	0.399	34%	0.34	S	S	.	.			trans	-146	60.3	-167.4	-52.7	0	0	0	0	111.1	M661 D667 N668 V669	M661-S665 PolarHBondContact O-N 3.09Å; S665-D667 PolarHBondContact O-N 3.41Å; S665-N668 PolarHBondContact O-N 3.24Å; S665-V669 VanDerWaalsContact O-CG2 3.27Å; S665-V669 WeakPolarHBondContact O-CG2 3.4Å
666	P	75.9	Confident	90.4	Very high	29 Å²	29	63.2 Å²	63.2	19%	0.188	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-17.1	-167.6	24.3	-35.6	0	0	0	115.3	V608 G627 N662	V608-P666 HydrophobicContact CG2-CB 4.07Å; G627-P666 WeakPolarHBondContact CA-O 3.38Å; G627-P666 PolarHBondContact N-O 3.5Å; N662-P666 WeakPolarHBondContact O-CA 3.41Å; N662-P666 WeakPolarHBondContact O-CB 3.33Å
667	D	76.4	Confident	90.4	Very high	99 Å²	99	59.3 Å²	59.3	53%	0.529	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.9	-14.5	-175.8	-53.6	-56.1	0	0	0	113.8	L626 Q630 S665	L626-D667 HydrophobicContact CD2-CB 4.15Å; Q630-D667 PolarHBondContact NE2-O 2.73Å; S665-D667 PolarHBondContact O-N 3.41Å
668	N	79.8	Confident	90.6	Very high	137 Å²	137	56.7 Å²	56.7	73%	0.733	30%	0.301	S	S	*	.			trans	-132.4	66.7	-172	-170.4	20.7	0	0	0	111.4	S665	S665-N668 PolarHBondContact O-N 3.24Å
669	V	88.6	Confident	90.7	Very high	7 Å²	7	56.5 Å²	56.5	4%	0.042	30%	0.3	C	S	.	.			trans	-113.4	108	-178.4	-168.6	0	0	0	0	110.8	Q630 M661 S665 Y671	Q630-V669 VanDerWaalsContact OE1-N 3.11Å; Q630-V669 PolarHBondContact OE1-O 3.37Å; M661-V669 HydrophobicContact CE-CG1 3.94Å; M661-V669 HydrophobicContact CG-CG1 4.03Å; M661-V669 HydrophobicContact SD-CG1 3.88Å; S665-V669 VanDerWaalsContact O-CG2 3.27Å; S665-V669 WeakPolarHBondContact O-CG2 3.4Å; V669-Y671 HydrophobicContact CB-CE2 3.8Å; V669-Y671 HydrophobicContact CG1-CD2 4.22Å; V669-Y671 HydrophobicContact CG1-CE1 3.96Å; V669-Y671 HydrophobicContact CG1-CE2 3.51Å; V669-Y671 WeakPolarHBondContact CG1-OH 3.34Å; V669-Y671 WeakPolarHBondContact O-CD2 3.46Å; V669-Y671 WeakPolarHBondContact O-CE2 3.08Å
670	N	90	Very high	90.8	Very high	80 Å²	80	54.4 Å²	54.4	43%	0.428	29%	0.292	S	S	.	.			trans	-81.2	141.3	169.1	-163.7	-0.5	0	0	0	111.2	E672	N670-E672 PolarHBondContact ND2-OE2 2.69Å; N670-E672 VanDerWaalsContact OD1-CG 3.29Å; N670-E672 WeakPolarHBondContact OD1-CG 3.48Å; N670-E672 PolarHBondContact OD1-N 3.04Å; N670-E672 PolarHBondContact OD1-OE2 2.71Å
671	Y	95.1	Very high	91	Very high	4 Å²	4	49.2 Å²	49.2	2%	0.016	27%	0.268	C	S	.	.			trans	-122.5	-2.8	179.2	-66.7	-81.6	0	0	0	114.1	G627 Q630 A631 Y634 L658 N662 V669 D673 Q674 V679 M682	G627-Y671 VanDerWaalsContact O-CE2 3.26Å; G627-Y671 WeakPolarHBondContact O-CE2 3.49Å; G627-Y671 PolarHBondContact O-OH 3.48Å; Q630-Y671 HydrophobicContact CB-CD2 4.1Å; Q630-Y671 HydrophobicContact CB-CE2 3.76Å; A631-Y671 HydrophobicContact CB-CE1 4.07Å; A631-Y671 HydrophobicContact CB-CE2 3.95Å; Y634-Y671 VanDerWaalsContact CE2-O 3.3Å; Y634-Y671 WeakPolarHBondContact CE2-O 3.24Å; Y634-Y671 PolarHBondContact OH-O 2.88Å; L658-Y671 HydrophobicContact CD2-CD1 4.27Å; L658-Y671 HydrophobicContact CD2-CE1 4.21Å; N662-Y671 PolarHBondContact ND2-OH 3.28Å; N662-Y671 PolarHBondContact OD1-OH 3.44Å; V669-Y671 HydrophobicContact CB-CE2 3.8Å; V669-Y671 HydrophobicContact CG1-CD2 4.22Å; V669-Y671 HydrophobicContact CG1-CE1 3.96Å; V669-Y671 HydrophobicContact CG1-CE2 3.51Å; V669-Y671 WeakPolarHBondContact CG1-OH 3.34Å; V669-Y671 WeakPolarHBondContact O-CD2 3.46Å; V669-Y671 WeakPolarHBondContact O-CE2 3.08Å; Y671-D673 PolarHBondContact O-N 2.97Å; Y671-Q674 WeakPolarHBondContact O-CA 3.46Å; Y671-Q674 WeakPolarHBondContact O-CB 3.47Å; Y671-Q674 PolarHBondContact O-N 2.98Å; Y671-V679 HydrophobicContact CD1-CG1 4.05Å; Y671-V679 HydrophobicContact CD1-CG2 3.83Å; Y671-V679 HydrophobicContact CE1-CG1 4.2Å; Y671-V679 HydrophobicContact CE1-CG2 4.48Å; Y671-M682 HydrophobicContact CE1-CE 3.99Å; Y671-M682 WeakPolarHBondContact OH-CE 3.14Å
672	E	90.3	Very high	91.3	Very high	114 Å²	114	46 Å²	46	53%	0.533	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-46.9	-170.9	-72.5	165.2	150.1	0	0	113.4	Y634 N670 Q674	Y634-E672 PolarHBondContact OH-O 2.74Å; N670-E672 PolarHBondContact ND2-OE2 2.69Å; N670-E672 VanDerWaalsContact OD1-CG 3.29Å; N670-E672 WeakPolarHBondContact OD1-CG 3.48Å; N670-E672 PolarHBondContact OD1-N 3.04Å; N670-E672 PolarHBondContact OD1-OE2 2.71Å; E672-Q674 PolarHBondContact O-N 2.7Å
673	D	90	Very high	91.5	Very high	151 Å²	151	46.1 Å²	46.1	81%	0.807	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	4.5	176.9	-60.3	-60.5	0	0	0	114.8	Y671	Y671-D673 PolarHBondContact O-N 2.97Å
674	Q	95.8	Very high	91.8	Very high	52 Å²	52	45.1 Å²	45.1	24%	0.243	25%	0.248	C	C	.	.	S	Bend	trans	-104.5	115.2	-164.2	-54.8	-62.3	-31	0	0	112.9	Y634 L658 Y671 E672 A676 V679	Y634-Q674 WeakPolarHBondContact CE1-O 3.39Å; Y634-Q674 PolarHBondContact OH-O 3.11Å; L658-Q674 HydrophobicContact CD2-CB 4.29Å; L658-Q674 HydrophobicContact CD2-CG 3.78Å; Y671-Q674 WeakPolarHBondContact O-CA 3.46Å; Y671-Q674 WeakPolarHBondContact O-CB 3.47Å; Y671-Q674 PolarHBondContact O-N 2.98Å; E672-Q674 PolarHBondContact O-N 2.7Å; Q674-A676 PolarHBondContact O-N 3.23Å; Q674-A676 VanDerWaalsContact O-N 3.14Å; Q674-V679 HydrophobicContact CB-CG2 3.92Å
675	S	96.7	Very high	92.1	Very high	39 Å²	39	43 Å²	43	27%	0.273	23%	0.229	S	C	.	.			trans	-43.8	119.4	177.9	-175.3	0	0	0	0	113.4	R654 Y677 D678 V679	R654-S675 PolarHBondContact NH2-OG 3Å; S675-Y677 PolarHBondContact O-N 3.39Å; S675-D678 WeakPolarHBondContact O-CA 3.33Å; S675-D678 WeakPolarHBondContact O-CB 3.48Å; S675-D678 PolarHBondContact O-N 3.49Å; S675-V679 PolarHBondContact O-N 3.31Å
676	A	97.5	Very high	92.9	Very high	7 Å²	7	40.2 Å²	40.2	6%	0.058	21%	0.21	C	C	.	.	H	α-helix	trans	-47.5	-39	-176.7	0	0	0	0	0	114.4	L635 C639 Q642 L645 Q674 D678 V679 A680	L635-A676 HydrophobicContact CD2-CB 4.08Å; C639-A676 HydrophobicContact CB-CB 3.7Å; C639-A676 VanDerWaalsContact SG-CB 3.59Å; Q642-A676 HydrophobicContact CB-CB 4.41Å; Q642-A676 HydrophobicContact CG-CB 3.9Å; L645-A676 HydrophobicContact CD1-CB 3.98Å; Q674-A676 PolarHBondContact O-N 3.23Å; Q674-A676 VanDerWaalsContact O-N 3.14Å; A676-D678 VanDerWaalsContact C-N 3.3Å; A676-D678 PolarHBondContact O-N 3.12Å; A676-V679 PolarHBondContact O-N 3.31Å; A676-A680 VanDerWaalsContact O-CB 3.23Å; A676-A680 WeakPolarHBondContact O-CB 3.23Å; A676-A680 PolarHBondContact O-N 2.85Å
677	Y	98.1	Very high	93.9	Very high	42 Å²	42	39 Å²	39	17%	0.165	20%	0.202	C	C	.	.	H	α-helix	trans	-65.9	-29.6	178.6	-50.3	-47.7	0	0	0	113.2	Q642 V643 K648 S675 D681	Q642-Y677 HydrophobicContact CB-CE1 4.18Å; V643-Y677 PolarHBondContact O-OH 3.14Å; K648-Y677 HydrophobicContact CB-CD1 3.85Å; K648-Y677 HydrophobicContact CB-CD2 4.48Å; K648-Y677 HydrophobicContact CB-CE1 4.09Å; K648-Y677 HydrophobicContact CB-CG 4.08Å; K648-Y677 HydrophobicContact CD-CD1 4.24Å; K648-Y677 HydrophobicContact CD-CD2 4.43Å; K648-Y677 HydrophobicContact CD-CE1 3.65Å; K648-Y677 HydrophobicContact CD-CE2 3.83Å; K648-Y677 VanDerWaalsContact CD-CZ 3.41Å; K648-Y677 HydrophobicContact CG-CE1 4.46Å; K648-Y677 PolarHBondContact NZ-OH 3.14Å; S675-Y677 PolarHBondContact O-N 3.39Å; Y677-D681 VanDerWaalsContact O-CB 3.29Å; Y677-D681 WeakPolarHBondContact O-CB 3.24Å; Y677-D681 PolarHBondContact O-N 3.23Å
678	D	98.1	Very high	94.7	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.005	19%	0.194	C	C	.	.	H	α-helix	trans	-76.1	-41.3	176.2	-60.8	3	0	0	0	111.2	G650 V651 R654 I655 L658 S675 A676 D681 M682	G650-D678 WeakPolarHBondContact CA-OD1 3.43Å; V651-D678 PolarHBondContact N-OD1 3.13Å; R654-D678 WeakPolarHBondContact CB-OD2 3.07Å; R654-D678 IonicContact CZ-OD1 2.69Å; R654-D678 IonicContact CZ-OD2 3.31Å; R654-D678 IonicContact NE-OD2 2.87Å; R654-D678 PolarHBondContact NE-OD2 3.49Å; R654-D678 VanDerWaalsContact NH2-CG 3.28Å; R654-D678 IonicContact NH2-OD1 2.68Å; R654-D678 PolarHBondContact NH2-OD1 3.43Å; R654-D678 IonicContact NH2-OD2 3.89Å; R654-D678 PolarHBondContact NH2-OD2 3.14Å; I655-D678 HydrophobicContact CG1-CB 3.8Å; L658-D678 HydrophobicContact CD1-CB 3.94Å; S675-D678 WeakPolarHBondContact O-CA 3.33Å; S675-D678 WeakPolarHBondContact O-CB 3.48Å; S675-D678 PolarHBondContact O-N 3.49Å; A676-D678 VanDerWaalsContact C-N 3.3Å; A676-D678 PolarHBondContact O-N 3.12Å; D678-D681 PolarHBondContact O-N 3.18Å; D678-M682 WeakPolarHBondContact O-CB 3.42Å; D678-M682 PolarHBondContact O-N 3.01Å
679	V	98.2	Very high	95.4	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-65.5	-44.5	175.8	-174	0	0	0	0	110	A631 Y634 L635 L658 Y671 Q674 S675 A676 D681 M682 V683	A631-V679 HydrophobicContact CB-CG1 3.72Å; Y634-V679 HydrophobicContact CD1-CG1 4.41Å; Y634-V679 HydrophobicContact CD1-CG2 4.24Å; Y634-V679 HydrophobicContact CE1-CG2 4.12Å; L635-V679 HydrophobicContact CD1-CG1 4.11Å; L635-V679 HydrophobicContact CD2-CB 4.14Å; L635-V679 HydrophobicContact CD2-CG1 4.28Å; L635-V679 HydrophobicContact CG-CB 4.41Å; L635-V679 HydrophobicContact CG-CG1 4.01Å; L658-V679 HydrophobicContact CD1-CG2 4.13Å; Y671-V679 HydrophobicContact CD1-CG1 4.05Å; Y671-V679 HydrophobicContact CD1-CG2 3.83Å; Y671-V679 HydrophobicContact CE1-CG1 4.2Å; Y671-V679 HydrophobicContact CE1-CG2 4.48Å; Q674-V679 HydrophobicContact CB-CG2 3.92Å; S675-V679 PolarHBondContact O-N 3.31Å; A676-V679 PolarHBondContact O-N 3.31Å; V679-D681 PolarHBondContact O-N 3.36Å; V679-M682 WeakPolarHBondContact O-CB 3.19Å; V679-M682 PolarHBondContact O-N 3.31Å; V679-V683 WeakPolarHBondContact O-CG2 3.29Å; V679-V683 PolarHBondContact O-N 2.66Å
680	A	98.1	Very high	95.6	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-63	-39.2	174.2	0	0	0	0	0	112.8	L635 L645 F646 A676 K684	L635-A680 HydrophobicContact CD1-CB 4.26Å; L645-A680 HydrophobicContact CD1-CB 3.95Å; L645-A680 HydrophobicContact CG-CB 4.45Å; F646-A680 HydrophobicContact CD1-CB 3.71Å; F646-A680 HydrophobicContact CD2-CB 4.49Å; F646-A680 HydrophobicContact CE1-CB 3.66Å; F646-A680 WeakPolarHBondContact CE1-O 3.49Å; F646-A680 HydrophobicContact CE2-CB 4.43Å; F646-A680 HydrophobicContact CG-CB 4.13Å; F646-A680 HydrophobicContact CZ-CB 4.02Å; A676-A680 VanDerWaalsContact O-CB 3.23Å; A676-A680 WeakPolarHBondContact O-CB 3.23Å; A676-A680 PolarHBondContact O-N 2.85Å; A680-K684 WeakPolarHBondContact O-CE 3.27Å; A680-K684 PolarHBondContact O-N 3.18Å; A680-K684 VanDerWaalsContact O-N 3.09Å
681	D	97.9	Very high	95.6	Very high	19 Å²	19	34.3 Å²	34.3	10%	0.102	17%	0.173	C	C	.	.	H	α-helix	trans	-66.3	-40.3	171.3	-93.7	8.6	0	0	0	112	G650 I655 Y677 D678 V679 K684 Q685	G650-D681 PolarHBondContact N-OD2 2.83Å; I655-D681 HydrophobicContact CD1-CB 3.51Å; I655-D681 WeakPolarHBondContact CD1-OD2 3.26Å; I655-D681 HydrophobicContact CG1-CB 4.06Å; Y677-D681 VanDerWaalsContact O-CB 3.29Å; Y677-D681 WeakPolarHBondContact O-CB 3.24Å; Y677-D681 PolarHBondContact O-N 3.23Å; D678-D681 PolarHBondContact O-N 3.18Å; V679-D681 PolarHBondContact O-N 3.36Å; D681-K684 PolarHBondContact O-N 2.66Å; D681-K684 WeakPolarHBondContact OD1-CE 3.37Å; D681-K684 IonicContact OD1-NZ 3.55Å; D681-K684 PolarHBondContact OD1-NZ 3.07Å; D681-Q685 VanDerWaalsContact O-CG 3.27Å; D681-Q685 WeakPolarHBondContact O-CG 3.29Å; D681-Q685 PolarHBondContact O-N 2.71Å
682	M	97.8	Very high	95.3	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-60.6	-45.3	175.9	-171.9	-163.9	65.6	0	0	111.5	F609 L628 A631 I655 L658 R659 Y671 D678 V679 K684 Q685 F686	F609-M682 HydrophobicContact CE1-CG 4.27Å; F609-M682 HydrophobicContact CZ-CG 3.84Å; F609-M682 HydrophobicContact CZ-SD 4.16Å; L628-M682 HydrophobicContact CD1-CE 4.17Å; L628-M682 HydrophobicContact CD2-CE 4.48Å; A631-M682 HydrophobicContact CB-CE 3.94Å; I655-M682 HydrophobicContact CG2-CB 4.16Å; L658-M682 HydrophobicContact CB-CG 4.5Å; L658-M682 HydrophobicContact CB-SD 3.67Å; R659-M682 HydrophobicContact CG-CG 3.81Å; Y671-M682 HydrophobicContact CE1-CE 3.99Å; Y671-M682 WeakPolarHBondContact OH-CE 3.14Å; D678-M682 WeakPolarHBondContact O-CB 3.42Å; D678-M682 PolarHBondContact O-N 3.01Å; V679-M682 WeakPolarHBondContact O-CB 3.19Å; V679-M682 PolarHBondContact O-N 3.31Å; M682-K684 PolarHBondContact O-N 2.72Å; M682-Q685 CarbonylContact O-C 3.57Å; M682-Q685 WeakPolarHBondContact O-CA 3.5Å; M682-Q685 WeakPolarHBondContact O-CB 3.44Å; M682-Q685 PolarHBondContact O-N 2.79Å; M682-Q685 VanDerWaalsContact O-N 3.1Å; M682-F686 PolarHBondContact O-N 2.91Å
683	V	97.7	Very high	95.4	Very high	2 Å²	2	31.8 Å²	31.8	1%	0.012	16%	0.162	C	C	.	.	H	α-helix	trans	-61.6	-42.9	176.3	170.4	0	0	0	0	111.1	L628 A631 L632 F646 V679 Q685 F686 F687	L628-V683 HydrophobicContact CD1-CG2 4.06Å; A631-V683 HydrophobicContact CB-CG2 4.13Å; L632-V683 HydrophobicContact CD2-CG1 4.08Å; L632-V683 HydrophobicContact CD2-CG2 4.33Å; F646-V683 HydrophobicContact CE1-CB 4.38Å; F646-V683 HydrophobicContact CE1-CG1 4.28Å; V679-V683 WeakPolarHBondContact O-CG2 3.29Å; V679-V683 PolarHBondContact O-N 2.66Å; V683-Q685 VanDerWaalsContact C-N 3.31Å; V683-Q685 PolarHBondContact O-N 2.99Å; V683-F686 WeakPolarHBondContact O-CB 3.28Å; V683-F686 PolarHBondContact O-N 3.2Å; V683-F687 HydrophobicContact CG1-CD2 4.18Å; V683-F687 HydrophobicContact CG1-CE2 3.71Å; V683-F687 VanDerWaalsContact O-CD2 3.24Å; V683-F687 WeakPolarHBondContact O-CD2 3.34Å; V683-F687 PolarHBondContact O-N 3.13Å
684	K	96.3	Very high	95.6	Very high	26 Å²	26	24.6 Å²	24.6	11%	0.113	12%	0.123	C	C	.	.	H	α-helix	trans	-59.6	-40.7	171.4	-76.7	179.7	-63.6	175.7	0	112.3	F646 A680 D681 M682 R688 L762	F646-K684 HydrophobicContact CB-CD 4.49Å; F646-K684 HydrophobicContact CD1-CD 4.07Å; F646-K684 HydrophobicContact CD1-CG 3.97Å; F646-K684 PolarHBondContact O-NZ 3.37Å; A680-K684 WeakPolarHBondContact O-CE 3.27Å; A680-K684 PolarHBondContact O-N 3.18Å; A680-K684 VanDerWaalsContact O-N 3.09Å; D681-K684 PolarHBondContact O-N 2.66Å; D681-K684 WeakPolarHBondContact OD1-CE 3.37Å; D681-K684 IonicContact OD1-NZ 3.55Å; D681-K684 PolarHBondContact OD1-NZ 3.07Å; M682-K684 PolarHBondContact O-N 2.72Å; K684-R688 VanDerWaalsContact O-CB 3.28Å; K684-R688 WeakPolarHBondContact O-CB 3.47Å; K684-R688 PolarHBondContact O-N 2.87Å; K684-R688 VanDerWaalsContact O-N 3.11Å; K684-L762 HydrophobicContact CD-CD2 4.44Å; K684-L762 HydrophobicContact CG-CD2 3.68Å; K684-L762 HydrophobicContact CG-CG 4.45Å
685	Q	95.6	Very high	95.5	Very high	36 Å²	36	22.1 Å²	22.1	17%	0.168	11%	0.112	C	C	.	.	H	α-helix	trans	-67.7	-33.1	177.7	-69.1	-173	43.3	0	0	112.8	D681 M682 V683 D689	D681-Q685 VanDerWaalsContact O-CG 3.27Å; D681-Q685 WeakPolarHBondContact O-CG 3.29Å; D681-Q685 PolarHBondContact O-N 2.71Å; M682-Q685 CarbonylContact O-C 3.57Å; M682-Q685 WeakPolarHBondContact O-CA 3.5Å; M682-Q685 WeakPolarHBondContact O-CB 3.44Å; M682-Q685 PolarHBondContact O-N 2.79Å; M682-Q685 VanDerWaalsContact O-N 3.1Å; V683-Q685 VanDerWaalsContact C-N 3.31Å; V683-Q685 PolarHBondContact O-N 2.99Å; Q685-D689 WeakPolarHBondContact O-CB 3.18Å; Q685-D689 PolarHBondContact O-N 2.82Å
686	F	96.8	Very high	95.2	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-57.6	-58.1	173.2	175.6	-101.1	0	0	0	111	V608 F609 L613 L624 L628 M682 V683 R688 D689 L690	V608-F686 HydrophobicContact CG1-CD2 3.99Å; V608-F686 HydrophobicContact CG1-CE2 3.99Å; F609-F686 HydrophobicContact CD1-CB 4.18Å; F609-F686 HydrophobicContact CD1-CD2 4.26Å; F609-F686 HydrophobicContact CE1-CB 3.75Å; F609-F686 HydrophobicContact CE1-CD2 4.28Å; L613-F686 HydrophobicContact CD2-CE1 4.34Å; L613-F686 HydrophobicContact CD2-CZ 4.12Å; L624-F686 HydrophobicContact CD1-CD1 4.2Å; L624-F686 HydrophobicContact CD1-CE1 3.53Å; L624-F686 HydrophobicContact CD1-CZ 3.94Å; L628-F686 HydrophobicContact CD1-CB 3.96Å; L628-F686 HydrophobicContact CD1-CD1 4.37Å; L628-F686 HydrophobicContact CD1-CD2 4.42Å; L628-F686 HydrophobicContact CD1-CG 4Å; L628-F686 HydrophobicContact CD2-CD2 4.47Å; L628-F686 HydrophobicContact CG-CD1 4.5Å; L628-F686 HydrophobicContact CG-CD2 4.13Å; L628-F686 HydrophobicContact CG-CE2 4.47Å; L628-F686 HydrophobicContact CG-CG 4.15Å; M682-F686 PolarHBondContact O-N 2.91Å; V683-F686 WeakPolarHBondContact O-CB 3.28Å; V683-F686 PolarHBondContact O-N 3.2Å; F686-R688 PolarHBondContact O-N 3.46Å; F686-D689 PolarHBondContact O-N 3.18Å; F686-L690 HydrophobicContact CE1-CD2 4.25Å; F686-L690 HydrophobicContact CE2-CD2 4.39Å; F686-L690 HydrophobicContact CZ-CD2 4.01Å; F686-L690 PolarHBondContact O-N 2.82Å
687	F	96.8	Very high	94.6	Very high	2 Å²	2	22.7 Å²	22.7	1%	0.009	12%	0.115	C	C	.	.	H	α-helix	trans	-62.8	-39.1	-178.5	-66.4	-63.5	0	0	0	113.8	V683 D689 L690 L694 V733 L737 S765 L766 H768	V683-F687 HydrophobicContact CG1-CD2 4.18Å; V683-F687 HydrophobicContact CG1-CE2 3.71Å; V683-F687 VanDerWaalsContact O-CD2 3.24Å; V683-F687 WeakPolarHBondContact O-CD2 3.34Å; V683-F687 PolarHBondContact O-N 3.13Å; F687-D689 VanDerWaalsContact C-N 3.34Å; F687-L690 HydrophobicContact CD1-CD1 4.15Å; F687-L694 HydrophobicContact CD1-CB 4.43Å; F687-L694 HydrophobicContact CD1-CD2 4.11Å; F687-L694 HydrophobicContact CE1-CD2 3.93Å; F687-V733 HydrophobicContact CE1-CG1 3.62Å; F687-V733 HydrophobicContact CZ-CG1 4.14Å; F687-L737 HydrophobicContact CD2-CD2 4.41Å; F687-L737 HydrophobicContact CE1-CD2 4.41Å; F687-L737 HydrophobicContact CE2-CD1 3.95Å; F687-L737 HydrophobicContact CE2-CD2 3.85Å; F687-L737 HydrophobicContact CE2-CG 4.48Å; F687-L737 HydrophobicContact CZ-CD1 4.22Å; F687-L737 HydrophobicContact CZ-CD2 3.85Å; F687-L737 HydrophobicContact CZ-CG 4.43Å; F687-S765 CarbonylContact C-O 3.55Å; F687-L766 HydrophobicContact CB-CD2 3.75Å; F687-L766 HydrophobicContact CD1-CD2 4.07Å; F687-L766 HydrophobicContact CD2-CD2 3.98Å; F687-L766 HydrophobicContact CG-CD2 3.66Å; F687-H768 PolarHBondContact O-NE2 3.03Å
688	R	94.8	Very high	93.7	Very high	96 Å²	96	24.2 Å²	24.2	36%	0.362	12%	0.122	S	C	.	.	H	α-helix	trans	-67.8	-33.1	178.2	-172.2	-161.8	66.5	-154.6	-5.4	112.6	K684 F686 H768 I771	K684-R688 VanDerWaalsContact O-CB 3.28Å; K684-R688 WeakPolarHBondContact O-CB 3.47Å; K684-R688 PolarHBondContact O-N 2.87Å; K684-R688 VanDerWaalsContact O-N 3.11Å; F686-R688 PolarHBondContact O-N 3.46Å; R688-H768 PolarHBondContact O-CE1 3.43Å; R688-H768 VanDerWaalsContact O-CE1 3.31Å; R688-H768 PolarHBondContact O-NE2 2.92Å; R688-I771 HydrophobicContact CG-CD1 3.88Å
689	D	93.6	Very high	93.2	Very high	50 Å²	50	24.5 Å²	24.5	27%	0.267	12%	0.124	S	C	.	.	H	α-helix	trans	-92.4	-0.6	-175.9	-63.5	7.3	0	0	0	112.9	G610 R659 Q685 F686 F687	G610-D689 WeakPolarHBondContact CA-O 2.99Å; R659-D689 IonicContact CZ-OD2 2.73Å; R659-D689 IonicContact NH1-OD2 3.84Å; R659-D689 PolarHBondContact NH1-OD2 3.31Å; R659-D689 IonicContact NH2-OD2 3.98Å; R659-D689 PolarHBondContact NH2-OD2 3.38Å; Q685-D689 WeakPolarHBondContact O-CB 3.18Å; Q685-D689 PolarHBondContact O-N 2.82Å; F686-D689 PolarHBondContact O-N 3.18Å; F687-D689 VanDerWaalsContact C-N 3.34Å
690	L	92.4	Very high	92.7	Very high	10 Å²	10	24.7 Å²	24.7	5%	0.052	13%	0.126	C	C	.	.	S	Bend	trans	-56.7	149.2	172.3	-72.4	175.8	0	0	0	112.1	L613 F686 F687 E692 H768	L613-L690 HydrophobicContact CD2-CD1 4.39Å; L613-L690 HydrophobicContact CD2-CD2 3.97Å; F686-L690 HydrophobicContact CE1-CD2 4.25Å; F686-L690 HydrophobicContact CE2-CD2 4.39Å; F686-L690 HydrophobicContact CZ-CD2 4.01Å; F686-L690 PolarHBondContact O-N 2.82Å; F687-L690 HydrophobicContact CD1-CD1 4.15Å; L690-E692 VanDerWaalsContact C-N 3.27Å; L690-E692 WeakPolarHBondContact CB-O 3.43Å; L690-E692 PolarHBondContact O-N 3.35Å; L690-H768 PolarHBondContact O-CE1 3.11Å
691	P	90	Very high	92.2	Very high	69 Å²	69	30.8 Å²	30.8	45%	0.448	15%	0.154	S	C	.	.	S	Bend	trans	-69.9	-17.7	178.2	-23.2	37.7	0	0	0	115.3	Y603 G610 P612	Y603-P691 HydrophobicContact CE1-CG 4.46Å; G610-P691 WeakPolarHBondContact O-CG 3.28Å; P612-P691 HydrophobicContact CG-CG 4.04Å
692	E	88.4	Confident	91.8	Very high	63 Å²	63	30.3 Å²	30.3	29%	0.294	15%	0.152	S	C	.	.	S	Bend	trans	-139.9	142.5	167.7	-168.7	173.8	-173.3	0	0	108	L690 S697	L690-E692 VanDerWaalsContact C-N 3.27Å; L690-E692 WeakPolarHBondContact CB-O 3.43Å; L690-E692 PolarHBondContact O-N 3.35Å; E692-S697 WeakPolarHBondContact OE1-CB 3.27Å; E692-S697 PolarHBondContact OE1-N 3.15Å; E692-S697 PolarHBondContact OE1-OG 2.67Å
693	P	92.3	Very high	91.6	Very high	2 Å²	2	30.3 Å²	30.3	1%	0.013	15%	0.152	C	C	.	.			trans	-53.3	151.8	175.3	14.7	-29.3	0	0	0	113.4	L695 T696 L766 H768	P693-L695 PolarHBondContact O-N 3.11Å; P693-T696 WeakPolarHBondContact O-CA 3.24Å; P693-T696 PolarHBondContact O-N 3.29Å; P693-L766 VanDerWaalsContact CB-O 3.23Å; P693-L766 WeakPolarHBondContact CB-O 3.4Å; P693-H768 HydrophobicContact CB-CB 3.95Å; P693-H768 HydrophobicContact CG-CB 4.01Å
694	L	95.2	Very high	91.3	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-38.3	179.3	-179.2	62.4	0	0	0	112.2	L613 F687 T696 M726 N730 V733 L734 L737 L766	L613-L694 HydrophobicContact CD1-CD1 3.97Å; F687-L694 HydrophobicContact CD1-CB 4.43Å; F687-L694 HydrophobicContact CD1-CD2 4.11Å; F687-L694 HydrophobicContact CE1-CD2 3.93Å; L694-T696 PolarHBondContact O-N 3.23Å; L694-M726 WeakPolarHBondContact O-CE 3.42Å; L694-N730 WeakPolarHBondContact O-CB 3.29Å; L694-N730 PolarHBondContact O-ND2 3.35Å; L694-V733 HydrophobicContact CD1-CB 3.91Å; L694-V733 HydrophobicContact CD1-CG1 3.74Å; L694-V733 HydrophobicContact CD2-CG1 4.42Å; L694-L734 HydrophobicContact CD2-CB 4.35Å; L694-L734 HydrophobicContact CD2-CD1 4.06Å; L694-L734 HydrophobicContact CG-CB 4.49Å; L694-L737 HydrophobicContact CD2-CD2 3.97Å; L694-L766 HydrophobicContact CB-CD2 4.36Å; L694-L766 HydrophobicContact CD2-CD2 3.97Å; L694-L766 PolarHBondContact N-O 3.27Å
695	L	93.1	Very high	91	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	9.6	177.6	-66.9	164.3	0	0	0	113.5	P693 L699 G700 F703 M726 L734 L766 F767 M809	P693-L695 PolarHBondContact O-N 3.11Å; L695-L699 CarbonylContact O-C 3.56Å; L695-L699 WeakPolarHBondContact O-CB 3.25Å; L695-G700 PolarHBondContact O-N 2.77Å; L695-G700 VanDerWaalsContact O-N 3.15Å; L695-F703 HydrophobicContact CB-CD2 4.21Å; L695-F703 HydrophobicContact CB-CE2 4.26Å; L695-F703 HydrophobicContact CD2-CD2 4.09Å; L695-F703 HydrophobicContact CD2-CE2 3.7Å; L695-F703 HydrophobicContact CD2-CZ 4.28Å; L695-M726 HydrophobicContact CD2-CE 4.19Å; L695-M726 HydrophobicContact CD2-SD 4.19Å; L695-L734 HydrophobicContact CD2-CD1 3.99Å; L695-L734 HydrophobicContact CD2-CD2 3.74Å; L695-L766 HydrophobicContact CD1-CB 4.34Å; L695-L766 PolarHBondContact N-O 2.97Å; L695-F767 HydrophobicContact CD1-CD1 3.95Å; L695-F767 HydrophobicContact CD1-CD2 3.61Å; L695-F767 HydrophobicContact CD1-CE1 3.68Å; L695-F767 HydrophobicContact CD1-CE2 3.32Å; L695-F767 HydrophobicContact CD1-CG 3.93Å; L695-F767 HydrophobicContact CD1-CZ 3.37Å; L695-M809 HydrophobicContact CD1-CE 4.22Å; L695-M809 HydrophobicContact CD2-CE 4.37Å
696	T	90.3	Very high	90.8	Very high	10 Å²	10	30.5 Å²	30.5	6%	0.061	15%	0.154	C	C	.	.			trans	60.9	158.7	-171.7	79.5	0	0	0	0	114.3	P693 L694 K698 L699 G700 P727	P693-T696 WeakPolarHBondContact O-CA 3.24Å; P693-T696 PolarHBondContact O-N 3.29Å; L694-T696 PolarHBondContact O-N 3.23Å; T696-K698 PolarHBondContact O-N 3.09Å; T696-L699 VanDerWaalsContact OG1-CB 3.31Å; T696-L699 WeakPolarHBondContact OG1-CB 3.43Å; T696-L699 PolarHBondContact OG1-N 2.99Å; T696-G700 PolarHBondContact O-N 3.48Å; T696-P727 HydrophobicContact CG2-CG 4.18Å
697	S	84.4	Confident	90.7	Very high	48 Å²	48	30.8 Å²	30.8	34%	0.336	16%	0.155	S	C	.	.	H	α-helix	trans	-60.3	-44.1	177.3	51.9	0	0	0	0	112.7	E692	E692-S697 WeakPolarHBondContact OE1-CB 3.27Å; E692-S697 PolarHBondContact OE1-N 3.15Å; E692-S697 PolarHBondContact OE1-OG 2.67Å
698	K	80.9	Confident	90.4	Very high	74 Å²	74	33.5 Å²	33.5	32%	0.322	17%	0.168	S	C	.	.	H	α-helix	trans	-87.5	-41.3	-173.8	-56.6	173.6	-170.7	168.3	0	113.8	P592 K593 T696 G700 E701 T702	P592-K698 HydrophobicContact CB-CD 3.66Å; P592-K698 HydrophobicContact CG-CD 4.27Å; K593-K698 PolarHBondContact O-NZ 2.85Å; T696-K698 PolarHBondContact O-N 3.09Å; K698-G700 VanDerWaalsContact C-N 3.29Å; K698-E701 PolarHBondContact O-N 2.81Å; K698-T702 PolarHBondContact O-N 3.06Å; K698-T702 PolarHBondContact O-OG1 2.88Å; K698-T702 VanDerWaalsContact O-OG1 3.07Å
699	L	86.9	Confident	90.1	Very high	7 Å²	7	34.3 Å²	34.3	4%	0.037	17%	0.171	C	C	.	.	H	α-helix	trans	-74.7	-26.2	177.7	-60.8	169	0	0	0	110.4	L695 T696 E701 T702 F703 L725 M726	L695-L699 CarbonylContact O-C 3.56Å; L695-L699 WeakPolarHBondContact O-CB 3.25Å; T696-L699 VanDerWaalsContact OG1-CB 3.31Å; T696-L699 WeakPolarHBondContact OG1-CB 3.43Å; T696-L699 PolarHBondContact OG1-N 2.99Å; L699-E701 PolarHBondContact O-N 3.31Å; L699-T702 CarbonylContact O-C 3.52Å; L699-T702 WeakPolarHBondContact O-CA 3.02Å; L699-T702 WeakPolarHBondContact O-CB 3.3Å; L699-T702 PolarHBondContact O-N 3.05Å; L699-F703 HydrophobicContact CB-CD2 4.32Å; L699-F703 HydrophobicContact CB-CE2 4Å; L699-F703 WeakPolarHBondContact O-CD2 3.28Å; L699-F703 WeakPolarHBondContact O-CG 3.37Å; L699-F703 PolarHBondContact O-N 3.08Å; L699-L725 HydrophobicContact CD1-CB 4.25Å; L699-L725 WeakPolarHBondContact CD1-O 3.34Å; L699-L725 HydrophobicContact CD2-CB 4.37Å; L699-M726 HydrophobicContact CD1-CB 4.27Å; L699-M726 HydrophobicContact CD1-CG 3.6Å
700	G	88.3	Confident	90	Very high	5 Å²	5	32 Å²	32	5%	0.052	16%	0.159	C	C	.	.	H	α-helix	trans	-50.9	-52.9	165.8	0	0	0	0	0	112.9	L695 T696 K698 T702 F703 L704	L695-G700 PolarHBondContact O-N 2.77Å; L695-G700 VanDerWaalsContact O-N 3.15Å; T696-G700 PolarHBondContact O-N 3.48Å; K698-G700 VanDerWaalsContact C-N 3.29Å; G700-T702 VanDerWaalsContact C-N 3.28Å; G700-T702 PolarHBondContact O-N 2.73Å; G700-F703 PolarHBondContact O-N 2.87Å; G700-L704 VanDerWaalsContact O-CG 3.28Å; G700-L704 WeakPolarHBondContact O-CG 3.33Å; G700-L704 PolarHBondContact O-N 2.83Å
701	E	87.1	Confident	90.1	Very high	127 Å²	127	33.6 Å²	33.6	59%	0.593	17%	0.17	S	C	*	.	H	α-helix	trans	-58.6	-38.6	173.3	-65.7	-177.7	157.4	0	0	112.3	K698 L699 L704 H705	K698-E701 PolarHBondContact O-N 2.81Å; L699-E701 PolarHBondContact O-N 3.31Å; E701-L704 WeakPolarHBondContact O-CB 3.15Å; E701-L704 PolarHBondContact O-N 3.37Å; E701-H705 WeakPolarHBondContact O-CB 3.43Å; E701-H705 VanDerWaalsContact O-CG 3.29Å; E701-H705 PolarHBondContact O-N 3.28Å
702	T	89.8	Confident	90.2	Very high	9 Å²	9	38.1 Å²	38.1	6%	0.055	18%	0.182	C	C	.	.	H	α-helix	trans	-68	-42.1	179.1	-52.5	0	0	0	0	112.1	L572 K698 L699 G700 H705 I706	L572-T702 HydrophobicContact CD1-CG2 4.41Å; L572-T702 HydrophobicContact CD2-CG2 4.06Å; K698-T702 PolarHBondContact O-N 3.06Å; K698-T702 PolarHBondContact O-OG1 2.88Å; K698-T702 VanDerWaalsContact O-OG1 3.07Å; L699-T702 CarbonylContact O-C 3.52Å; L699-T702 WeakPolarHBondContact O-CA 3.02Å; L699-T702 WeakPolarHBondContact O-CB 3.3Å; L699-T702 PolarHBondContact O-N 3.05Å; G700-T702 VanDerWaalsContact C-N 3.28Å; G700-T702 PolarHBondContact O-N 2.73Å; T702-H705 PolarHBondContact O-N 3.32Å; T702-I706 HydrophobicContact CG2-CD1 4.43Å; T702-I706 VanDerWaalsContact O-CG1 3.32Å; T702-I706 WeakPolarHBondContact O-CG1 3.34Å; T702-I706 PolarHBondContact O-N 3.08Å
703	F	92.9	Very high	90.4	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-63.2	-47.9	173.5	-71.7	-62.4	0	0	0	111.1	L695 L699 G700 H705 I706 Y707 V719 A722 I723 M726 F767	L695-F703 HydrophobicContact CB-CD2 4.21Å; L695-F703 HydrophobicContact CB-CE2 4.26Å; L695-F703 HydrophobicContact CD2-CD2 4.09Å; L695-F703 HydrophobicContact CD2-CE2 3.7Å; L695-F703 HydrophobicContact CD2-CZ 4.28Å; L699-F703 HydrophobicContact CB-CD2 4.32Å; L699-F703 HydrophobicContact CB-CE2 4Å; L699-F703 WeakPolarHBondContact O-CD2 3.28Å; L699-F703 WeakPolarHBondContact O-CG 3.37Å; L699-F703 PolarHBondContact O-N 3.08Å; G700-F703 PolarHBondContact O-N 2.87Å; F703-H705 VanDerWaalsContact C-N 3.26Å; F703-H705 PolarHBondContact O-N 2.98Å; F703-I706 HydrophobicContact CD1-CD1 4.43Å; F703-I706 PolarHBondContact O-N 3.14Å; F703-I706 VanDerWaalsContact O-N 3.08Å; F703-Y707 WeakPolarHBondContact O-CD2 2.98Å; F703-Y707 PolarHBondContact O-N 2.94Å; F703-V719 HydrophobicContact CD1-CG2 4.44Å; F703-V719 HydrophobicContact CE1-CG1 4.05Å; F703-A722 HydrophobicContact CD1-CB 4.13Å; F703-A722 HydrophobicContact CE1-CB 3.48Å; F703-A722 VanDerWaalsContact CE1-CB 3.48Å; F703-A722 HydrophobicContact CZ-CB 3.74Å; F703-I723 HydrophobicContact CE1-CG1 4.26Å; F703-I723 HydrophobicContact CZ-CG1 4.01Å; F703-M726 HydrophobicContact CE2-SD 4.03Å; F703-M726 HydrophobicContact CZ-SD 3.96Å; F703-F767 HydrophobicContact CB-CE1 3.97Å; F703-F767 HydrophobicContact CB-CZ 4.47Å
704	L	91.1	Very high	90.4	Very high	12 Å²	12	44 Å²	44	6%	0.063	21%	0.214	C	C	.	.	H	α-helix	trans	-50.4	-50	174.7	-73.4	173.3	0	0	0	111	G700 E701 Y707 Q708 F767 L769 E798 A801 A802	G700-L704 VanDerWaalsContact O-CG 3.28Å; G700-L704 WeakPolarHBondContact O-CG 3.33Å; G700-L704 PolarHBondContact O-N 2.83Å; E701-L704 WeakPolarHBondContact O-CB 3.15Å; E701-L704 PolarHBondContact O-N 3.37Å; L704-Y707 PolarHBondContact O-N 2.84Å; L704-Q708 VanDerWaalsContact O-CG 3.27Å; L704-Q708 WeakPolarHBondContact O-CG 3.48Å; L704-Q708 PolarHBondContact O-N 3.33Å; L704-Q708 VanDerWaalsContact O-N 3.1Å; L704-F767 HydrophobicContact CG-CD1 4.45Å; L704-F767 HydrophobicContact CG-CE1 4.44Å; L704-L769 HydrophobicContact CD1-CD2 4.33Å; L704-L769 HydrophobicContact CD2-CD2 4.46Å; L704-E798 HydrophobicContact CD1-CB 4.24Å; L704-E798 HydrophobicContact CD1-CG 4.1Å; L704-E798 HydrophobicContact CD2-CB 4.14Å; L704-E798 WeakPolarHBondContact CD2-O 3.35Å; L704-A801 HydrophobicContact CD2-CB 4Å; L704-A802 HydrophobicContact CD2-CB 3.7Å
705	H	89.9	Confident	90.3	Very high	56 Å²	56	45.8 Å²	45.8	26%	0.259	22%	0.221	S	C	.	.	H	α-helix	trans	-63.9	-37.5	177.8	-80.3	-176.8	0	0	0	114.3	M576 W587 E701 T702 F703 Y707 Q708 Y709	M576-H705 HydrophobicContact CE-CB 4.45Å; W587-H705 AromaticContact CE3-ND1 3.55Å; W587-H705 HydrophobicContact CH2-CB 3.39Å; W587-H705 AromaticContact CH2-CG 3.74Å; W587-H705 AromaticContact CH2-ND1 3.29Å; W587-H705 VanDerWaalsContact CH2-ND1 3.29Å; W587-H705 WeakPolarHBondContact CH2-ND1 3.44Å; W587-H705 HydrophobicContact CZ3-CB 3.37Å; W587-H705 AromaticContact CZ3-CG 3.46Å; W587-H705 VanDerWaalsContact CZ3-CG 3.46Å; W587-H705 AromaticContact CZ3-ND1 3.02Å; W587-H705 WeakPolarHBondContact CZ3-ND1 3.33Å; E701-H705 WeakPolarHBondContact O-CB 3.43Å; E701-H705 VanDerWaalsContact O-CG 3.29Å; E701-H705 PolarHBondContact O-N 3.28Å; T702-H705 PolarHBondContact O-N 3.32Å; F703-H705 VanDerWaalsContact C-N 3.26Å; F703-H705 PolarHBondContact O-N 2.98Å; H705-Y707 VanDerWaalsContact C-N 3.33Å; H705-Y707 PolarHBondContact O-N 3.04Å; H705-Q708 PolarHBondContact O-N 3.29Å; H705-Y709 HydrophobicContact CB-CD2 4.14Å; H705-Y709 HydrophobicContact CB-CE2 4.34Å; H705-Y709 AromaticContact CD2-CE2 3.86Å; H705-Y709 VanDerWaalsContact O-CD2 3.28Å; H705-Y709 WeakPolarHBondContact O-CD2 3.45Å; H705-Y709 PolarHBondContact O-N 3.06Å
706	I	92.9	Very high	90.4	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-57.5	-48.3	175.1	-71.9	161.5	0	0	0	110.1	L572 M576 T702 F703 Q708 V710 R715 A718 V719 A722	L572-I706 HydrophobicContact CD1-CD1 4.08Å; M576-I706 HydrophobicContact CE-CG1 4.47Å; M576-I706 HydrophobicContact SD-CG1 3.75Å; T702-I706 HydrophobicContact CG2-CD1 4.43Å; T702-I706 VanDerWaalsContact O-CG1 3.32Å; T702-I706 WeakPolarHBondContact O-CG1 3.34Å; T702-I706 PolarHBondContact O-N 3.08Å; F703-I706 HydrophobicContact CD1-CD1 4.43Å; F703-I706 PolarHBondContact O-N 3.14Å; F703-I706 VanDerWaalsContact O-N 3.08Å; I706-Q708 VanDerWaalsContact C-N 3.29Å; I706-Q708 PolarHBondContact O-N 2.85Å; I706-V710 HydrophobicContact CB-CG2 4.34Å; I706-V710 HydrophobicContact CG1-CG2 4.39Å; I706-V710 HydrophobicContact CG2-CB 4.16Å; I706-V710 HydrophobicContact CG2-CG2 4.15Å; I706-V710 VanDerWaalsContact O-CB 3.3Å; I706-V710 WeakPolarHBondContact O-CB 3.41Å; I706-V710 PolarHBondContact O-N 3.01Å; I706-R715 HydrophobicContact CG2-CB 4.39Å; I706-R715 HydrophobicContact CG2-CG 4.23Å; I706-A718 HydrophobicContact CD1-CB 3.85Å; I706-A718 HydrophobicContact CG1-CB 3.96Å; I706-A718 HydrophobicContact CG2-CB 3.95Å; I706-V719 HydrophobicContact CD1-CG2 4.49Å; I706-V719 HydrophobicContact CG2-CG2 4.14Å; I706-A722 HydrophobicContact CD1-CB 4.27Å
707	Y	93.3	Very high	90.5	Very high	7 Å²	7	49 Å²	49	3%	0.027	24%	0.236	C	C	.	.	H	α-helix	trans	-74.7	-16.9	-179.3	-65.8	-78.4	0	0	0	113.8	F703 L704 H705 R715 V719 G805 H808	F703-Y707 WeakPolarHBondContact O-CD2 2.98Å; F703-Y707 PolarHBondContact O-N 2.94Å; L704-Y707 PolarHBondContact O-N 2.84Å; H705-Y707 VanDerWaalsContact C-N 3.33Å; H705-Y707 PolarHBondContact O-N 3.04Å; Y707-R715 HydrophobicContact CE1-CB 4.37Å; Y707-R715 PolarHBondContact O-NH1 3.32Å; Y707-R715 PolarHBondContact O-NH2 3.32Å; Y707-V719 HydrophobicContact CE2-CG2 3.94Å; Y707-V719 VanDerWaalsContact OH-CG2 3.27Å; Y707-V719 WeakPolarHBondContact OH-CG2 3.4Å; Y707-G805 VanDerWaalsContact CD2-CA 3.43Å; Y707-G805 PolarHBondContact OH-O 3.21Å; Y707-H808 HydrophobicContact CE1-CB 3.92Å; Y707-H808 AromaticContact CE1-CG 3.94Å; Y707-H808 AromaticContact CE1-ND1 3.64Å; Y707-H808 AromaticContact CZ-ND1 3.7Å; Y707-H808 PolarHBondContact OH-ND1 2.68Å
708	Q	90.5	Very high	90.9	Very high	59 Å²	59	46.7 Å²	46.7	28%	0.276	22%	0.22	S	C	.	.	H	α-helix	trans	-82.9	-39.1	172.5	-72.7	170.1	1.3	0	0	113.6	L704 H705 I706 N797 A801	L704-Q708 VanDerWaalsContact O-CG 3.27Å; L704-Q708 WeakPolarHBondContact O-CG 3.48Å; L704-Q708 PolarHBondContact O-N 3.33Å; L704-Q708 VanDerWaalsContact O-N 3.1Å; H705-Q708 PolarHBondContact O-N 3.29Å; I706-Q708 VanDerWaalsContact C-N 3.29Å; I706-Q708 PolarHBondContact O-N 2.85Å; Q708-N797 PolarHBondContact NE2-O 3.17Å; Q708-A801 HydrophobicContact CG-CB 3.79Å
709	Y	89.3	Confident	91.6	Very high	113 Å²	113	43.2 Å²	43.2	44%	0.443	21%	0.205	S	C	.	.	H	α-helix	trans	-119.3	-28.3	-167.4	-55.3	-61.7	0	0	0	115.4	W587 H705	W587-Y709 HydrophobicContact CZ3-CD2 4.41Å; H705-Y709 HydrophobicContact CB-CD2 4.14Å; H705-Y709 HydrophobicContact CB-CE2 4.34Å; H705-Y709 AromaticContact CD2-CE2 3.86Å; H705-Y709 VanDerWaalsContact O-CD2 3.28Å; H705-Y709 WeakPolarHBondContact O-CD2 3.45Å; H705-Y709 PolarHBondContact O-N 3.06Å
710	V	92	Very high	92	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.006	21%	0.207	C	C	.	.	S	Bend	trans	-82.8	133.7	-175.2	-176.1	0	0	0	0	110.2	I575 M576 I706 Q714 R715	I575-V710 HydrophobicContact CG2-CG1 3.92Å; I575-V710 HydrophobicContact CG2-CG2 4Å; M576-V710 HydrophobicContact CE-CG2 3.64Å; M576-V710 HydrophobicContact SD-CG2 3.46Å; M576-V710 WeakPolarHBondContact SD-CG2 3.46Å; I706-V710 HydrophobicContact CB-CG2 4.34Å; I706-V710 HydrophobicContact CG1-CG2 4.39Å; I706-V710 HydrophobicContact CG2-CB 4.16Å; I706-V710 HydrophobicContact CG2-CG2 4.15Å; I706-V710 VanDerWaalsContact O-CB 3.3Å; I706-V710 WeakPolarHBondContact O-CB 3.41Å; I706-V710 PolarHBondContact O-N 3.01Å; V710-Q714 HydrophobicContact CG1-CB 3.76Å; V710-R715 HydrophobicContact CB-CG 4.37Å; V710-R715 HydrophobicContact CG1-CG 4.34Å; V710-R715 PolarHBondContact O-NE 2.97Å; V710-R715 PolarHBondContact O-NH2 3.18Å
711	P	93.3	Very high	92.3	Very high	43 Å²	43	43.5 Å²	43.5	28%	0.279	21%	0.205	S	C	.	.			trans	-61.9	148.6	173.7	27.2	-35.8	0	0	0	111	Y579 D713 Q714 R715	Y579-P711 VanDerWaalsContact CD1-CD 3.49Å; Y579-P711 HydrophobicContact CD1-CG 3.98Å; Y579-P711 HydrophobicContact CE1-CG 3.75Å; Y579-P711 HydrophobicContact CE2-CG 4.41Å; Y579-P711 HydrophobicContact CG-CG 4.4Å; P711-D713 PolarHBondContact O-N 2.98Å; P711-D713 VanDerWaalsContact O-N 3.08Å; P711-Q714 PolarHBondContact O-N 2.83Å; P711-Q714 VanDerWaalsContact O-N 3.08Å; P711-R715 PolarHBondContact O-N 2.88Å
712	K	92.4	Very high	92.6	Very high	164 Å²	164	37.5 Å²	37.5	71%	0.713	18%	0.177	S	C	*	.	H	α-helix	trans	-48.7	-44.7	-170.1	-71.2	-175.5	178.1	-178.7	0	112.9	Q714 R715	K712-Q714 PolarHBondContact O-N 2.73Å; K712-Q714 VanDerWaalsContact O-N 3.13Å; K712-R715 WeakPolarHBondContact O-CB 3.41Å; K712-R715 PolarHBondContact O-N 3.45Å
713	D	92.3	Very high	92.8	Very high	142 Å²	142	37 Å²	37	76%	0.759	17%	0.174	S	C	*	.	H	α-helix	trans	-65.6	-19.6	-171.2	-31.9	-60.7	0	0	0	113.2	P711	P711-D713 PolarHBondContact O-N 2.98Å; P711-D713 VanDerWaalsContact O-N 3.08Å
714	Q	91.8	Very high	92.8	Very high	46 Å²	46	37.3 Å²	37.3	22%	0.215	18%	0.175	C	C	.	.	H	α-helix	trans	-108	-1.5	176.1	-68.5	178.5	36.5	0	0	113.6	Y579 V710 P711 K712 L716 Q717 A718	Y579-Q714 PolarHBondContact OH-NE2 2.82Å; V710-Q714 HydrophobicContact CG1-CB 3.76Å; P711-Q714 PolarHBondContact O-N 2.83Å; P711-Q714 VanDerWaalsContact O-N 3.08Å; K712-Q714 PolarHBondContact O-N 2.73Å; K712-Q714 VanDerWaalsContact O-N 3.13Å; Q714-L716 PolarHBondContact O-N 2.61Å; Q714-Q717 PolarHBondContact O-N 3.29Å; Q714-A718 WeakPolarHBondContact O-CB 3.38Å; Q714-A718 PolarHBondContact O-N 3.3Å
715	R	94.5	Very high	92.9	Very high	39 Å²	39	37.3 Å²	37.3	15%	0.147	18%	0.175	C	C	.	.	H	α-helix	trans	-62.2	-43.8	179.8	-69.2	179.4	-176.4	-152.6	-17.2	111.7	I706 Y707 V710 P711 K712 Q717 A718 V719	I706-R715 HydrophobicContact CG2-CB 4.39Å; I706-R715 HydrophobicContact CG2-CG 4.23Å; Y707-R715 HydrophobicContact CE1-CB 4.37Å; Y707-R715 PolarHBondContact O-NH1 3.32Å; Y707-R715 PolarHBondContact O-NH2 3.32Å; V710-R715 HydrophobicContact CB-CG 4.37Å; V710-R715 HydrophobicContact CG1-CG 4.34Å; V710-R715 PolarHBondContact O-NE 2.97Å; V710-R715 PolarHBondContact O-NH2 3.18Å; P711-R715 PolarHBondContact O-N 2.88Å; K712-R715 WeakPolarHBondContact O-CB 3.41Å; K712-R715 PolarHBondContact O-N 3.45Å; R715-Q717 PolarHBondContact O-N 3.11Å; R715-A718 PolarHBondContact O-N 3.28Å; R715-V719 VanDerWaalsContact O-CB 3.3Å; R715-V719 WeakPolarHBondContact O-CB 3.27Å; R715-V719 WeakPolarHBondContact O-CG2 3.49Å; R715-V719 PolarHBondContact O-N 2.86Å
716	L	93.8	Very high	93	Very high	21 Å²	21	34.7 Å²	34.7	11%	0.11	16%	0.163	C	C	.	.	H	α-helix	trans	-57.1	-49.5	177.5	178.9	58.6	0	0	0	111.4	Q714 A718 V719 Q720 E812 R815 L816	Q714-L716 PolarHBondContact O-N 2.61Å; L716-A718 PolarHBondContact O-N 3.24Å; L716-V719 PolarHBondContact O-N 2.96Å; L716-Q720 HydrophobicContact CD1-CG 4.12Å; L716-Q720 HydrophobicContact CG-CG 4.48Å; L716-Q720 WeakPolarHBondContact O-CB 3.4Å; L716-Q720 WeakPolarHBondContact O-CG 3.1Å; L716-Q720 PolarHBondContact O-N 3.18Å; L716-Q720 PolarHBondContact O-OE1 2.9Å; L716-E812 HydrophobicContact CD1-CB 4.19Å; L716-E812 HydrophobicContact CD1-CG 4.5Å; L716-R815 VanDerWaalsContact CD2-CZ 3.45Å; L716-L816 HydrophobicContact CD1-CD2 3.79Å
717	Q	92.4	Very high	93	Very high	56 Å²	56	35.7 Å²	35.7	26%	0.262	17%	0.17	S	C	.	.	H	α-helix	trans	-62.3	-41.6	179.5	-59.7	-175.6	-6.2	0	0	112.6	I575 Q714 R715 A721	I575-Q717 HydrophobicContact CD1-CB 4.43Å; Q714-Q717 PolarHBondContact O-N 3.29Å; R715-Q717 PolarHBondContact O-N 3.11Å; Q717-A721 WeakPolarHBondContact O-CB 3.28Å; Q717-A721 PolarHBondContact O-N 3.28Å
718	A	93.7	Very high	93.1	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-67.7	-35.8	176.6	0	0	0	0	0	112.4	L572 I575 I706 Q714 R715 L716 A722	L572-A718 HydrophobicContact CD1-CB 4.3Å; I575-A718 HydrophobicContact CD1-CB 4.3Å; I575-A718 HydrophobicContact CG2-CB 4.23Å; I706-A718 HydrophobicContact CD1-CB 3.85Å; I706-A718 HydrophobicContact CG1-CB 3.96Å; I706-A718 HydrophobicContact CG2-CB 3.95Å; Q714-A718 WeakPolarHBondContact O-CB 3.38Å; Q714-A718 PolarHBondContact O-N 3.3Å; R715-A718 PolarHBondContact O-N 3.28Å; L716-A718 PolarHBondContact O-N 3.24Å; A718-A722 WeakPolarHBondContact O-CB 3.43Å; A718-A722 PolarHBondContact O-N 3.17Å
719	V	95.7	Very high	93.3	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-73.2	-44.1	178.3	172.3	0	0	0	0	111	F703 I706 Y707 R715 L716 A721 A722 I723 M809 L816	F703-V719 HydrophobicContact CD1-CG2 4.44Å; F703-V719 HydrophobicContact CE1-CG1 4.05Å; I706-V719 HydrophobicContact CD1-CG2 4.49Å; I706-V719 HydrophobicContact CG2-CG2 4.14Å; Y707-V719 HydrophobicContact CE2-CG2 3.94Å; Y707-V719 VanDerWaalsContact OH-CG2 3.27Å; Y707-V719 WeakPolarHBondContact OH-CG2 3.4Å; R715-V719 VanDerWaalsContact O-CB 3.3Å; R715-V719 WeakPolarHBondContact O-CB 3.27Å; R715-V719 WeakPolarHBondContact O-CG2 3.49Å; R715-V719 PolarHBondContact O-N 2.86Å; L716-V719 PolarHBondContact O-N 2.96Å; V719-A721 VanDerWaalsContact C-N 3.33Å; V719-A721 PolarHBondContact O-N 3.01Å; V719-A722 PolarHBondContact O-N 2.92Å; V719-I723 HydrophobicContact CG1-CD1 3.79Å; V719-I723 HydrophobicContact CG1-CG1 4.38Å; V719-I723 WeakPolarHBondContact O-CB 3.46Å; V719-I723 VanDerWaalsContact O-CG1 3.29Å; V719-I723 WeakPolarHBondContact O-CG1 3.19Å; V719-I723 PolarHBondContact O-N 3.19Å; V719-M809 HydrophobicContact CG1-CG 3.97Å; V719-M809 HydrophobicContact CG1-SD 4.04Å; V719-L816 HydrophobicContact CG1-CD2 3.7Å
720	Q	95.4	Very high	93.6	Very high	17 Å²	17	28.2 Å²	28.2	8%	0.079	14%	0.14	C	C	.	.	H	α-helix	trans	-55.3	-48.9	171.1	-74.8	168.9	-44.7	0	0	110.7	L716 A722 I723 M724 R815 E818 P820	L716-Q720 HydrophobicContact CD1-CG 4.12Å; L716-Q720 HydrophobicContact CG-CG 4.48Å; L716-Q720 WeakPolarHBondContact O-CB 3.4Å; L716-Q720 WeakPolarHBondContact O-CG 3.1Å; L716-Q720 PolarHBondContact O-N 3.18Å; L716-Q720 PolarHBondContact O-OE1 2.9Å; Q720-A722 VanDerWaalsContact C-N 3.33Å; Q720-A722 PolarHBondContact O-N 3.5Å; Q720-I723 PolarHBondContact O-N 3.39Å; Q720-M724 WeakPolarHBondContact O-CG 3.46Å; Q720-M724 PolarHBondContact O-N 3.35Å; Q720-R815 PolarHBondContact NE2-O 2.68Å; Q720-E818 PolarHBondContact NE2-O 2.97Å; Q720-P820 HydrophobicContact CB-CG 4.48Å
721	A	93.6	Very high	93.8	Very high	2 Å²	2	28.8 Å²	28.8	2%	0.017	14%	0.142	C	C	.	.	H	α-helix	trans	-62.9	-35.2	177.2	0	0	0	0	0	113.2	L572 Q717 V719 L725	L572-A721 HydrophobicContact CB-CB 4.05Å; Q717-A721 WeakPolarHBondContact O-CB 3.28Å; Q717-A721 PolarHBondContact O-N 3.28Å; V719-A721 VanDerWaalsContact C-N 3.33Å; V719-A721 PolarHBondContact O-N 3.01Å; A721-L725 WeakPolarHBondContact O-CG 3.37Å
722	A	94	Very high	93.8	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-72.3	-36.5	173.7	0	0	0	0	0	112.8	L572 F703 I706 A718 V719 Q720 L725 M726	L572-A722 HydrophobicContact CD2-CB 4.1Å; F703-A722 HydrophobicContact CD1-CB 4.13Å; F703-A722 HydrophobicContact CE1-CB 3.48Å; F703-A722 VanDerWaalsContact CE1-CB 3.48Å; F703-A722 HydrophobicContact CZ-CB 3.74Å; I706-A722 HydrophobicContact CD1-CB 4.27Å; A718-A722 WeakPolarHBondContact O-CB 3.43Å; A718-A722 PolarHBondContact O-N 3.17Å; V719-A722 PolarHBondContact O-N 2.92Å; Q720-A722 VanDerWaalsContact C-N 3.33Å; Q720-A722 PolarHBondContact O-N 3.5Å; A722-L725 PolarHBondContact O-N 3.33Å; A722-M726 PolarHBondContact O-N 3.26Å
723	I	94.9	Very high	94.1	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-65.8	-39.2	175.9	-75.1	172.5	0	0	0	111.2	F703 V719 Q720 L725 M726 R731 L734 L816 F817	F703-I723 HydrophobicContact CE1-CG1 4.26Å; F703-I723 HydrophobicContact CZ-CG1 4.01Å; V719-I723 HydrophobicContact CG1-CD1 3.79Å; V719-I723 HydrophobicContact CG1-CG1 4.38Å; V719-I723 WeakPolarHBondContact O-CB 3.46Å; V719-I723 VanDerWaalsContact O-CG1 3.29Å; V719-I723 WeakPolarHBondContact O-CG1 3.19Å; V719-I723 PolarHBondContact O-N 3.19Å; Q720-I723 PolarHBondContact O-N 3.39Å; I723-L725 PolarHBondContact O-N 3.07Å; I723-M726 HydrophobicContact CG1-SD 4.23Å; I723-M726 WeakPolarHBondContact O-CB 3.49Å; I723-M726 PolarHBondContact O-N 3.16Å; I723-M726 VanDerWaalsContact O-N 3.08Å; I723-R731 HydrophobicContact CG2-CG 3.92Å; I723-L734 HydrophobicContact CD1-CD2 4.45Å; I723-L734 HydrophobicContact CG1-CD2 4.41Å; I723-L816 HydrophobicContact CD1-CB 3.89Å; I723-L816 HydrophobicContact CD1-CD1 3.91Å; I723-L816 HydrophobicContact CD1-CD2 4.2Å; I723-L816 HydrophobicContact CD1-CG 4.24Å; I723-F817 HydrophobicContact CD1-CE1 4.48Å; I723-F817 HydrophobicContact CG2-CD1 3.87Å; I723-F817 HydrophobicContact CG2-CE1 3.68Å
724	M	92.5	Very high	94.3	Very high	6 Å²	6	12.5 Å²	12.5	3%	0.03	6%	0.06	C	C	.	.	H	α-helix	trans	-58.6	-29.2	172.6	-77.4	-62.1	-52.4	0	0	113.3	I553 L561 L564 Q565 S568 Q720	I553-M724 HydrophobicContact CD1-CG 4.44Å; I553-M724 HydrophobicContact CD1-SD 3.43Å; I553-M724 WeakPolarHBondContact CD1-SD 3.48Å; I553-M724 HydrophobicContact CG1-SD 3.6Å; I553-M724 VanDerWaalsContact CG1-SD 3.6Å; L561-M724 HydrophobicContact CD2-CE 3.86Å; L564-M724 HydrophobicContact CB-CE 3.63Å; L564-M724 HydrophobicContact CD1-CE 4.34Å; Q565-M724 HydrophobicContact CG-CE 4.39Å; Q565-M724 WeakPolarHBondContact CG-O 3.5Å; Q565-M724 PolarHBondContact NE2-O 3.44Å; S568-M724 WeakPolarHBondContact OG-CB 3.48Å; S568-M724 WeakPolarHBondContact OG-CG 3.43Å; Q720-M724 WeakPolarHBondContact O-CG 3.46Å; Q720-M724 PolarHBondContact O-N 3.35Å
725	L	92.2	Very high	94.5	Very high	12 Å²	12	11.6 Å²	11.6	6%	0.063	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-4.1	178.7	-62	171.5	0	0	0	113.5	Q565 L569 L572 F594 L699 A721 A722 I723	Q565-L725 HydrophobicContact CB-CD2 4.33Å; L569-L725 HydrophobicContact CB-CD1 4.33Å; L569-L725 HydrophobicContact CB-CD2 4.17Å; L572-L725 HydrophobicContact CD2-CD1 3.8Å; F594-L725 HydrophobicContact CZ-CD2 4.41Å; L699-L725 HydrophobicContact CD1-CB 4.25Å; L699-L725 WeakPolarHBondContact CD1-O 3.34Å; L699-L725 HydrophobicContact CD2-CB 4.37Å; A721-L725 WeakPolarHBondContact O-CG 3.37Å; A722-L725 PolarHBondContact O-N 3.33Å; I723-L725 PolarHBondContact O-N 3.07Å
726	M	92.8	Very high	94.6	Very high	1 Å²	1	10.1 Å²	10.1	1%	0.005	5%	0.051	C	C	.	.	S	Bend	trans	-73.9	147.1	174.2	-68.4	-179.6	57.9	0	0	111.6	L694 L695 L699 F703 A722 I723 N730 R731 L734	L694-M726 WeakPolarHBondContact O-CE 3.42Å; L695-M726 HydrophobicContact CD2-CE 4.19Å; L695-M726 HydrophobicContact CD2-SD 4.19Å; L699-M726 HydrophobicContact CD1-CB 4.27Å; L699-M726 HydrophobicContact CD1-CG 3.6Å; F703-M726 HydrophobicContact CE2-SD 4.03Å; F703-M726 HydrophobicContact CZ-SD 3.96Å; A722-M726 PolarHBondContact O-N 3.26Å; I723-M726 HydrophobicContact CG1-SD 4.23Å; I723-M726 WeakPolarHBondContact O-CB 3.49Å; I723-M726 PolarHBondContact O-N 3.16Å; I723-M726 VanDerWaalsContact O-N 3.08Å; M726-N730 HydrophobicContact CE-CB 3.76Å; M726-R731 HydrophobicContact CB-CB 4.45Å; M726-R731 PolarHBondContact O-NH1 2.82Å; M726-L734 HydrophobicContact CE-CB 4.44Å; M726-L734 HydrophobicContact CE-CD2 3.96Å; M726-L734 HydrophobicContact SD-CD2 3.86Å
727	P	93.2	Very high	94.8	Very high	20 Å²	20	9.2 Å²	9.2	13%	0.13	5%	0.046	C	C	.	.			trans	-52.9	146.3	167.6	-23.6	33.2	0	0	0	111.8	M595 T696 E729 N730 R731	M595-P727 HydrophobicContact SD-CB 4.46Å; M595-P727 HydrophobicContact SD-CG 4.14Å; T696-P727 HydrophobicContact CG2-CG 4.18Å; P727-E729 VanDerWaalsContact C-N 3.29Å; P727-E729 PolarHBondContact O-N 2.82Å; P727-N730 HydrophobicContact CB-CB 4.27Å; P727-N730 WeakPolarHBondContact O-CB 3.42Å; P727-N730 PolarHBondContact O-N 2.63Å; P727-N730 VanDerWaalsContact O-N 3.14Å; P727-R731 PolarHBondContact O-N 3.43Å
728	D	94.4	Very high	95.1	Very high	2 Å²	2	6.6 Å²	6.6	1%	0.011	3%	0.034	C	C	.	.	H	α-helix	trans	-62.6	-34.9	-172.2	-67.7	-29.7	0	0	0	113	R731 E732 T1027 W1030	D728-R731 PolarHBondContact O-N 3.26Å; D728-R731 IonicContact OD1-CZ 3.53Å; D728-R731 IonicContact OD1-NH1 2.69Å; D728-R731 PolarHBondContact OD1-NH1 3.33Å; D728-R731 IonicContact OD1-NH2 2.75Å; D728-R731 PolarHBondContact OD1-NH2 2.87Å; D728-E732 VanDerWaalsContact O-CB 3.25Å; D728-E732 WeakPolarHBondContact O-CB 3.49Å; D728-E732 PolarHBondContact O-N 2.92Å; D728-T1027 VanDerWaalsContact OD1-CG2 3.3Å; D728-T1027 WeakPolarHBondContact OD1-CG2 3.25Å; D728-T1027 WeakPolarHBondContact OD2-CB 3.39Å; D728-T1027 PolarHBondContact OD2-N 3.37Å; D728-T1027 PolarHBondContact OD2-OG1 3.23Å; D728-W1030 HydrophobicContact CB-CB 4.14Å; D728-W1030 HydrophobicContact CB-CG 4.11Å; D728-W1030 WeakPolarHBondContact OD2-CB 3.3Å
729	E	95	Very high	95.2	Very high	7 Å²	7	7.5 Å²	7.5	3%	0.033	4%	0.04	C	C	.	.	H	α-helix	trans	-67.4	-44.5	176.3	-53	90.3	162.5	0	0	111.4	L613 I614 V617 P623 P727 R731 V733	L613-E729 HydrophobicContact CB-CB 3.73Å; I614-E729 HydrophobicContact CB-CG 4.5Å; I614-E729 WeakPolarHBondContact CD1-OE1 3.45Å; V617-E729 HydrophobicContact CG2-CG 3.66Å; P623-E729 HydrophobicContact CB-CB 3.8Å; P623-E729 HydrophobicContact CB-CG 4.31Å; P727-E729 VanDerWaalsContact C-N 3.29Å; P727-E729 PolarHBondContact O-N 2.82Å; E729-R731 VanDerWaalsContact C-N 3.31Å; E729-R731 PolarHBondContact O-N 2.83Å; E729-V733 WeakPolarHBondContact O-CB 3.44Å; E729-V733 VanDerWaalsContact O-CG2 3.29Å; E729-V733 WeakPolarHBondContact O-CG2 3.42Å; E729-V733 PolarHBondContact O-N 3.05Å
730	N	95.6	Very high	95.3	Very high	14 Å²	14	7.6 Å²	7.6	8%	0.075	4%	0.04	C	C	.	.	H	α-helix	trans	-64.3	-38	176.7	-71.9	65.8	0	0	0	110.8	L694 M726 P727 L734	L694-N730 WeakPolarHBondContact O-CB 3.29Å; L694-N730 PolarHBondContact O-ND2 3.35Å; M726-N730 HydrophobicContact CE-CB 3.76Å; P727-N730 HydrophobicContact CB-CB 4.27Å; P727-N730 WeakPolarHBondContact O-CB 3.42Å; P727-N730 PolarHBondContact O-N 2.63Å; P727-N730 VanDerWaalsContact O-N 3.14Å; N730-L734 WeakPolarHBondContact O-CB 3.16Å; N730-L734 PolarHBondContact O-N 2.95Å
731	R	95.4	Very high	95.4	Very high	13 Å²	13	6.8 Å²	6.8	5%	0.049	4%	0.037	C	C	.	.	H	α-helix	trans	-70.8	-45.9	177.2	-168.9	174.8	66.8	-101.1	-1.5	112.4	I723 M726 P727 D728 E729 V733 L734 Q735 F817 G1025	I723-R731 HydrophobicContact CG2-CG 3.92Å; M726-R731 HydrophobicContact CB-CB 4.45Å; M726-R731 PolarHBondContact O-NH1 2.82Å; P727-R731 PolarHBondContact O-N 3.43Å; D728-R731 PolarHBondContact O-N 3.26Å; D728-R731 IonicContact OD1-CZ 3.53Å; D728-R731 IonicContact OD1-NH1 2.69Å; D728-R731 PolarHBondContact OD1-NH1 3.33Å; D728-R731 IonicContact OD1-NH2 2.75Å; D728-R731 PolarHBondContact OD1-NH2 2.87Å; E729-R731 VanDerWaalsContact C-N 3.31Å; E729-R731 PolarHBondContact O-N 2.83Å; R731-V733 VanDerWaalsContact C-N 3.35Å; R731-V733 PolarHBondContact O-N 3.23Å; R731-L734 PolarHBondContact O-N 3.4Å; R731-Q735 WeakPolarHBondContact O-CB 3.48Å; R731-Q735 PolarHBondContact O-N 2.84Å; R731-F817 HydrophobicContact CG-CD1 4.05Å; R731-F817 HydrophobicContact CG-CE1 3.85Å; R731-G1025 PolarHBondContact NH2-O 3.37Å
732	E	95.1	Very high	95.5	Very high	6 Å²	6	8.3 Å²	8.3	3%	0.028	5%	0.048	C	C	.	.	H	α-helix	trans	-59.6	-43.7	177.1	-179.8	172.2	-147.3	0	0	111.5	P623 D728 T736 R952 M953 H956 R1026	P623-E732 WeakPolarHBondContact CD-OE2 3.34Å; P623-E732 HydrophobicContact CG-CB 4.16Å; P623-E732 HydrophobicContact CG-CG 3.91Å; P623-E732 VanDerWaalsContact CG-OE2 3.26Å; P623-E732 WeakPolarHBondContact CG-OE2 3.43Å; D728-E732 VanDerWaalsContact O-CB 3.25Å; D728-E732 WeakPolarHBondContact O-CB 3.49Å; D728-E732 PolarHBondContact O-N 2.92Å; E732-T736 WeakPolarHBondContact O-CB 3.16Å; E732-T736 PolarHBondContact O-N 3.23Å; E732-T736 VanDerWaalsContact O-N 3.09Å; E732-T736 PolarHBondContact O-OG1 3.29Å; E732-R952 IonicContact OE1-CZ 2.71Å; E732-R952 IonicContact OE1-NE 2.73Å; E732-R952 IonicContact OE1-NH2 2.8Å; E732-R952 PolarHBondContact OE1-NH2 2.85Å; E732-R952 IonicContact OE2-NH2 3.67Å; E732-M953 HydrophobicContact CG-CG 4.28Å; E732-M953 HydrophobicContact CG-SD 3.85Å; E732-H956 PolarHBondContact O-NE2 3.47Å; E732-R1026 IonicContact OE1-CZ 3.08Å; E732-R1026 IonicContact OE1-NH1 3.69Å; E732-R1026 IonicContact OE1-NH2 3.65Å; E732-R1026 PolarHBondContact OE1-NH2 3.46Å; E732-R1026 IonicContact OE2-CZ 2.72Å; E732-R1026 VanDerWaalsContact OE2-CZ 3.26Å; E732-R1026 IonicContact OE2-NH1 3.1Å; E732-R1026 PolarHBondContact OE2-NH1 3.1Å; E732-R1026 IonicContact OE2-NH2 3.17Å; E732-R1026 PolarHBondContact OE2-NH2 3.17Å
733	V	97.4	Very high	95.6	Very high	1 Å²	1	10.6 Å²	10.6	1%	0.006	6%	0.06	C	C	.	.	H	α-helix	trans	-72.3	-37.4	176.4	176.8	0	0	0	0	112.2	L613 P623 L624 F687 L694 E729 R731 T736 L737	L613-V733 HydrophobicContact CD1-CB 4.28Å; L613-V733 HydrophobicContact CD1-CG2 4.14Å; L613-V733 HydrophobicContact CD2-CG2 4.45Å; P623-V733 HydrophobicContact CB-CG2 3.66Å; P623-V733 HydrophobicContact CG-CG2 3.55Å; L624-V733 HydrophobicContact CB-CG2 4.21Å; F687-V733 HydrophobicContact CE1-CG1 3.62Å; F687-V733 HydrophobicContact CZ-CG1 4.14Å; L694-V733 HydrophobicContact CD1-CB 3.91Å; L694-V733 HydrophobicContact CD1-CG1 3.74Å; L694-V733 HydrophobicContact CD2-CG1 4.42Å; E729-V733 WeakPolarHBondContact O-CB 3.44Å; E729-V733 VanDerWaalsContact O-CG2 3.29Å; E729-V733 WeakPolarHBondContact O-CG2 3.42Å; E729-V733 PolarHBondContact O-N 3.05Å; R731-V733 VanDerWaalsContact C-N 3.35Å; R731-V733 PolarHBondContact O-N 3.23Å; V733-T736 PolarHBondContact O-N 2.83Å; V733-L737 WeakPolarHBondContact O-CB 3.43Å; V733-L737 PolarHBondContact O-N 2.67Å
734	L	97.3	Very high	95.7	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-63	-46.1	174.6	-179.1	68.1	0	0	0	111.5	L694 L695 I723 M726 N730 R731 T736 L737 L738 F817	L694-L734 HydrophobicContact CD2-CB 4.35Å; L694-L734 HydrophobicContact CD2-CD1 4.06Å; L694-L734 HydrophobicContact CG-CB 4.49Å; L695-L734 HydrophobicContact CD2-CD1 3.99Å; L695-L734 HydrophobicContact CD2-CD2 3.74Å; I723-L734 HydrophobicContact CD1-CD2 4.45Å; I723-L734 HydrophobicContact CG1-CD2 4.41Å; M726-L734 HydrophobicContact CE-CB 4.44Å; M726-L734 HydrophobicContact CE-CD2 3.96Å; M726-L734 HydrophobicContact SD-CD2 3.86Å; N730-L734 WeakPolarHBondContact O-CB 3.16Å; N730-L734 PolarHBondContact O-N 2.95Å; R731-L734 PolarHBondContact O-N 3.4Å; L734-T736 PolarHBondContact O-N 3.41Å; L734-L737 PolarHBondContact O-N 2.68Å; L734-L738 HydrophobicContact CD1-CD1 3.9Å; L734-L738 HydrophobicContact CD1-CG 3.97Å; L734-L738 HydrophobicContact CD2-CD1 4.31Å; L734-L738 HydrophobicContact CG-CD1 3.77Å; L734-L738 HydrophobicContact CG-CG 4.19Å; L734-L738 WeakPolarHBondContact O-CB 3.41Å; L734-L738 VanDerWaalsContact O-CG 3.3Å; L734-L738 WeakPolarHBondContact O-CG 3.5Å; L734-L738 PolarHBondContact O-N 3.49Å; L734-F817 HydrophobicContact CD2-CZ 4.44Å; L734-F817 HydrophobicContact CG-CZ 4.37Å
735	Q	96.3	Very high	95.9	Very high	27 Å²	27	11.2 Å²	11.2	13%	0.126	6%	0.064	C	C	.	.	H	α-helix	trans	-59.8	-47.3	176.5	-174.5	166.8	6.1	0	0	111.1	R731 L737 L738 C739 F817 H956	R731-Q735 WeakPolarHBondContact O-CB 3.48Å; R731-Q735 PolarHBondContact O-N 2.84Å; Q735-L737 VanDerWaalsContact C-N 3.32Å; Q735-L737 PolarHBondContact O-N 2.99Å; Q735-L738 PolarHBondContact O-N 3.25Å; Q735-C739 PolarHBondContact O-N 3.26Å; Q735-C739 PolarHBondContact O-SG 2.94Å; Q735-F817 VanDerWaalsContact CA-CZ 3.47Å; Q735-F817 HydrophobicContact CB-CD1 4.08Å; Q735-F817 HydrophobicContact CB-CD2 4.06Å; Q735-F817 HydrophobicContact CB-CE1 3.74Å; Q735-F817 HydrophobicContact CB-CE2 3.72Å; Q735-F817 HydrophobicContact CB-CG 4.24Å; Q735-F817 HydrophobicContact CB-CZ 3.56Å; Q735-F817 HydrophobicContact CG-CD1 4.25Å; Q735-F817 HydrophobicContact CG-CD2 3.61Å; Q735-F817 HydrophobicContact CG-CE1 4.32Å; Q735-F817 HydrophobicContact CG-CE2 3.7Å; Q735-F817 HydrophobicContact CG-CG 3.92Å; Q735-F817 HydrophobicContact CG-CZ 4.07Å; Q735-H956 PolarHBondContact OE1-CE1 2.86Å; Q735-H956 VanDerWaalsContact OE1-CE1 3.23Å
736	T	96.4	Very high	96.1	Very high	8 Å²	8	15 Å²	15	5%	0.049	9%	0.091	C	C	.	.	H	α-helix	trans	-56.6	-46.2	176.9	-55.6	0	0	0	0	112	L632 E732 V733 L734 F740 M953 P954 H956	L632-T736 HydrophobicContact CD1-CG2 4.32Å; E732-T736 WeakPolarHBondContact O-CB 3.16Å; E732-T736 PolarHBondContact O-N 3.23Å; E732-T736 VanDerWaalsContact O-N 3.09Å; E732-T736 PolarHBondContact O-OG1 3.29Å; V733-T736 PolarHBondContact O-N 2.83Å; L734-T736 PolarHBondContact O-N 3.41Å; T736-F740 WeakPolarHBondContact O-CB 3.33Å; T736-F740 PolarHBondContact O-N 3.38Å; T736-M953 HydrophobicContact CG2-CE 3.81Å; T736-M953 WeakPolarHBondContact OG1-CE 3.35Å; T736-P954 WeakPolarHBondContact CG2-O 3.5Å; T736-H956 PolarHBondContact OG1-NE2 3.31Å
737	L	97.8	Very high	96.2	Very high	2 Å²	2	16.4 Å²	16.4	1%	0.01	10%	0.101	C	C	.	.	H	α-helix	trans	-67.7	-46.2	178.7	-178.5	63.8	0	0	0	111.6	F687 L694 V733 L734 Q735 F740 L741 L766	F687-L737 HydrophobicContact CD2-CD2 4.41Å; F687-L737 HydrophobicContact CE1-CD2 4.41Å; F687-L737 HydrophobicContact CE2-CD1 3.95Å; F687-L737 HydrophobicContact CE2-CD2 3.85Å; F687-L737 HydrophobicContact CE2-CG 4.48Å; F687-L737 HydrophobicContact CZ-CD1 4.22Å; F687-L737 HydrophobicContact CZ-CD2 3.85Å; F687-L737 HydrophobicContact CZ-CG 4.43Å; L694-L737 HydrophobicContact CD2-CD2 3.97Å; V733-L737 WeakPolarHBondContact O-CB 3.43Å; V733-L737 PolarHBondContact O-N 2.67Å; L734-L737 PolarHBondContact O-N 2.68Å; Q735-L737 VanDerWaalsContact C-N 3.32Å; Q735-L737 PolarHBondContact O-N 2.99Å; L737-F740 HydrophobicContact CD1-CD1 4.32Å; L737-F740 PolarHBondContact O-N 3.29Å; L737-L741 HydrophobicContact CD1-CD1 4.13Å; L737-L741 HydrophobicContact CD1-CD2 4.43Å; L737-L741 HydrophobicContact CD1-CG 4.09Å; L737-L741 HydrophobicContact CD2-CD1 4.47Å; L737-L741 HydrophobicContact CG-CD1 3.9Å; L737-L741 HydrophobicContact CG-CG 4.24Å; L737-L741 WeakPolarHBondContact O-CB 3.34Å; L737-L741 VanDerWaalsContact O-CG 3.25Å; L737-L741 WeakPolarHBondContact O-CG 3.49Å; L737-L741 PolarHBondContact O-N 3.42Å; L737-L766 HydrophobicContact CD2-CD1 3.7Å; L737-L766 HydrophobicContact CD2-CD2 3.77Å; L737-L766 HydrophobicContact CD2-CG 4.4Å
738	L	97.8	Very high	96.3	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-65.5	-40.3	-177.4	-71.8	177.1	0	0	0	112.4	L734 Q735 L741 S742 L806 M809 I810 C813 L816 F817	L734-L738 HydrophobicContact CD1-CD1 3.9Å; L734-L738 HydrophobicContact CD1-CG 3.97Å; L734-L738 HydrophobicContact CD2-CD1 4.31Å; L734-L738 HydrophobicContact CG-CD1 3.77Å; L734-L738 HydrophobicContact CG-CG 4.19Å; L734-L738 WeakPolarHBondContact O-CB 3.41Å; L734-L738 VanDerWaalsContact O-CG 3.3Å; L734-L738 WeakPolarHBondContact O-CG 3.5Å; L734-L738 PolarHBondContact O-N 3.49Å; Q735-L738 PolarHBondContact O-N 3.25Å; L738-L741 PolarHBondContact O-N 2.68Å; L738-S742 WeakPolarHBondContact O-CB 3.46Å; L738-S742 PolarHBondContact O-N 3.4Å; L738-L806 HydrophobicContact CD2-CD1 3.88Å; L738-M809 HydrophobicContact CD1-CB 3.99Å; L738-M809 HydrophobicContact CD2-CB 4.07Å; L738-I810 HydrophobicContact CD2-CG1 3.76Å; L738-C813 HydrophobicContact CB-CB 4.04Å; L738-L816 HydrophobicContact CD1-CD1 3.59Å; L738-F817 HydrophobicContact CD1-CE2 4.26Å; L738-F817 HydrophobicContact CD1-CZ 4.14Å
739	C	96.1	Very high	96.4	Very high	20 Å²	20	26.5 Å²	26.5	14%	0.135	15%	0.149	C	C	.	.	H	α-helix	trans	-62	-47.1	172.6	-64.2	0	0	0	0	111.2	Q735 L741 S742 D743 P955	Q735-C739 PolarHBondContact O-N 3.26Å; Q735-C739 PolarHBondContact O-SG 2.94Å; C739-L741 VanDerWaalsContact C-N 3.33Å; C739-L741 PolarHBondContact O-N 2.98Å; C739-S742 WeakPolarHBondContact O-CA 3.23Å; C739-S742 WeakPolarHBondContact O-CB 3.48Å; C739-S742 PolarHBondContact O-N 3.37Å; C739-S742 VanDerWaalsContact O-N 3.08Å; C739-D743 VanDerWaalsContact O-CG 3.25Å; C739-D743 PolarHBondContact O-N 3.24Å; C739-D743 VanDerWaalsContact O-N 3.11Å; C739-P955 HydrophobicContact CB-CG 4.01Å
740	F	97.2	Very high	96.4	Very high	1 Å²	1	31.8 Å²	31.8	0%	0.004	17%	0.174	C	C	.	.	H	α-helix	trans	-58.6	-40.5	174.5	164.5	-94	0	0	0	113.2	L632 L635 R636 F646 T736 L737 S742 D743 V744	L632-F740 HydrophobicContact CB-CD2 4.41Å; L632-F740 HydrophobicContact CD2-CD1 3.82Å; L632-F740 HydrophobicContact CD2-CD2 4.33Å; L632-F740 HydrophobicContact CD2-CE1 3.83Å; L632-F740 HydrophobicContact CD2-CE2 4.34Å; L632-F740 HydrophobicContact CD2-CG 4.08Å; L632-F740 HydrophobicContact CD2-CZ 4.1Å; L632-F740 WeakPolarHBondContact O-CE2 3.44Å; L635-F740 HydrophobicContact CB-CE2 3.8Å; L635-F740 HydrophobicContact CB-CZ 3.8Å; L635-F740 HydrophobicContact CD1-CZ 4.09Å; R636-F740 HydrophobicContact CB-CD2 4.17Å; R636-F740 HydrophobicContact CB-CE2 4.19Å; F646-F740 AromaticContact CE2-CE1 3.59Å; F646-F740 HydrophobicContact CE2-CE1 3.59Å; F646-F740 AromaticContact CE2-CZ 3.86Å; F646-F740 HydrophobicContact CE2-CZ 3.86Å; F646-F740 AromaticContact CZ-CE1 3.56Å; F646-F740 HydrophobicContact CZ-CE1 3.56Å; F646-F740 AromaticContact CZ-CZ 3.91Å; F646-F740 HydrophobicContact CZ-CZ 3.91Å; T736-F740 WeakPolarHBondContact O-CB 3.33Å; T736-F740 PolarHBondContact O-N 3.38Å; L737-F740 HydrophobicContact CD1-CD1 4.32Å; L737-F740 PolarHBondContact O-N 3.29Å; F740-S742 VanDerWaalsContact C-N 3.31Å; F740-D743 WeakPolarHBondContact CA-OD2 3.33Å; F740-D743 PolarHBondContact O-N 3.12Å; F740-V744 HydrophobicContact CE1-CG2 3.99Å; F740-V744 HydrophobicContact CE2-CG2 4.15Å; F740-V744 HydrophobicContact CZ-CG2 3.75Å; F740-V744 WeakPolarHBondContact O-CG2 3.43Å; F740-V744 PolarHBondContact O-N 2.93Å; F740-V744 VanDerWaalsContact O-N 3.11Å
741	L	97.7	Very high	96.4	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-70.9	-28.7	176.3	-65.8	176.9	0	0	0	112.2	F646 L737 L738 C739 V744 T745 I758 L762 I810	F646-L741 HydrophobicContact CE2-CD2 4.31Å; L737-L741 HydrophobicContact CD1-CD1 4.13Å; L737-L741 HydrophobicContact CD1-CD2 4.43Å; L737-L741 HydrophobicContact CD1-CG 4.09Å; L737-L741 HydrophobicContact CD2-CD1 4.47Å; L737-L741 HydrophobicContact CG-CD1 3.9Å; L737-L741 HydrophobicContact CG-CG 4.24Å; L737-L741 WeakPolarHBondContact O-CB 3.34Å; L737-L741 VanDerWaalsContact O-CG 3.25Å; L737-L741 WeakPolarHBondContact O-CG 3.49Å; L737-L741 PolarHBondContact O-N 3.42Å; L738-L741 PolarHBondContact O-N 2.68Å; C739-L741 VanDerWaalsContact C-N 3.33Å; C739-L741 PolarHBondContact O-N 2.98Å; L741-V744 PolarHBondContact O-N 3Å; L741-T745 VanDerWaalsContact O-CG2 3.29Å; L741-T745 WeakPolarHBondContact O-CG2 3.37Å; L741-T745 PolarHBondContact O-N 2.81Å; L741-T745 PolarHBondContact O-OG1 3.21Å; L741-I758 HydrophobicContact CB-CG2 4.35Å; L741-I758 HydrophobicContact CD1-CG2 3.98Å; L741-I758 HydrophobicContact CD2-CG2 3.8Å; L741-I758 HydrophobicContact CG-CG2 4.24Å; L741-L762 HydrophobicContact CD1-CD1 3.63Å; L741-L762 HydrophobicContact CD2-CD1 3.59Å; L741-L762 HydrophobicContact CG-CD1 4.25Å; L741-I810 HydrophobicContact CB-CD1 4.17Å; L741-I810 HydrophobicContact CB-CG1 4.03Å; L741-I810 HydrophobicContact CB-CG2 4.31Å; L741-I810 HydrophobicContact CD1-CD1 4.06Å; L741-I810 HydrophobicContact CD1-CG1 4.24Å
742	S	96.8	Very high	96.5	Very high	35 Å²	35	35.3 Å²	35.3	25%	0.245	19%	0.191	C	C	.	.	H	α-helix	trans	-60.2	-48	170.6	-158.7	0	0	0	0	110.4	L738 C739 F740 V744 T745 S746 C813	L738-S742 WeakPolarHBondContact O-CB 3.46Å; L738-S742 PolarHBondContact O-N 3.4Å; C739-S742 WeakPolarHBondContact O-CA 3.23Å; C739-S742 WeakPolarHBondContact O-CB 3.48Å; C739-S742 PolarHBondContact O-N 3.37Å; C739-S742 VanDerWaalsContact O-N 3.08Å; F740-S742 VanDerWaalsContact C-N 3.31Å; S742-V744 VanDerWaalsContact C-N 3.32Å; S742-V744 PolarHBondContact O-N 2.93Å; S742-T745 WeakPolarHBondContact CA-OG1 3.37Å; S742-T745 CarbonylContact O-C 3.58Å; S742-T745 WeakPolarHBondContact O-CA 3.32Å; S742-T745 PolarHBondContact O-N 3.46Å; S742-T745 PolarHBondContact O-OG1 3.34Å; S742-S746 PolarHBondContact O-N 3.09Å; S742-C813 PolarHBondContact OG-SG 3.28Å
743	D	95.5	Very high	96.6	Very high	48 Å²	48	35 Å²	35	26%	0.257	19%	0.19	S	C	.	.	H	α-helix	trans	-60.9	-38	175.9	-44.9	-43.2	0	0	0	112.4	R636 C739 F740 T745 S746	R636-D743 IonicContact CZ-OD2 2.74Å; R636-D743 IonicContact NE-OD2 3.83Å; R636-D743 PolarHBondContact NE-OD2 2.97Å; R636-D743 IonicContact NH2-OD2 3.6Å; R636-D743 PolarHBondContact NH2-OD2 2.83Å; C739-D743 VanDerWaalsContact O-CG 3.25Å; C739-D743 PolarHBondContact O-N 3.24Å; C739-D743 VanDerWaalsContact O-N 3.11Å; F740-D743 WeakPolarHBondContact CA-OD2 3.33Å; F740-D743 PolarHBondContact O-N 3.12Å; D743-T745 VanDerWaalsContact C-N 3.26Å; D743-T745 PolarHBondContact O-N 3.46Å; D743-S746 PolarHBondContact O-N 2.89Å; D743-S746 PolarHBondContact O-OG 3.41Å
744	V	97	Very high	96.6	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-65.2	-32.6	172.8	175.9	0	0	0	0	111.3	L640 L645 F740 L741 S742 N751 M753 I758	L640-V744 HydrophobicContact CD2-CB 4.45Å; L640-V744 HydrophobicContact CD2-CG2 3.73Å; L645-V744 HydrophobicContact CD2-CG1 4.25Å; L645-V744 HydrophobicContact CD2-CG2 4.13Å; F740-V744 HydrophobicContact CE1-CG2 3.99Å; F740-V744 HydrophobicContact CE2-CG2 4.15Å; F740-V744 HydrophobicContact CZ-CG2 3.75Å; F740-V744 WeakPolarHBondContact O-CG2 3.43Å; F740-V744 PolarHBondContact O-N 2.93Å; F740-V744 VanDerWaalsContact O-N 3.11Å; L741-V744 PolarHBondContact O-N 3Å; S742-V744 VanDerWaalsContact C-N 3.32Å; S742-V744 PolarHBondContact O-N 2.93Å; V744-N751 PolarHBondContact O-ND2 2.95Å; V744-M753 HydrophobicContact CG1-CB 4.4Å; V744-I758 HydrophobicContact CG1-CD1 3.71Å; V744-I758 HydrophobicContact CG1-CG1 4.4Å
745	T	96.9	Very high	96.6	Very high	19 Å²	19	38.9 Å²	38.9	12%	0.117	21%	0.214	C	C	.	.	H	α-helix	trans	-87.1	-10.9	179.7	59.8	0	0	0	0	115	L741 S742 D743 V748 M753 P755 I758 I810	L741-T745 VanDerWaalsContact O-CG2 3.29Å; L741-T745 WeakPolarHBondContact O-CG2 3.37Å; L741-T745 PolarHBondContact O-N 2.81Å; L741-T745 PolarHBondContact O-OG1 3.21Å; S742-T745 WeakPolarHBondContact CA-OG1 3.37Å; S742-T745 CarbonylContact O-C 3.58Å; S742-T745 WeakPolarHBondContact O-CA 3.32Å; S742-T745 PolarHBondContact O-N 3.46Å; S742-T745 PolarHBondContact O-OG1 3.34Å; D743-T745 VanDerWaalsContact C-N 3.26Å; D743-T745 PolarHBondContact O-N 3.46Å; T745-V748 WeakPolarHBondContact O-CB 3.3Å; T745-V748 WeakPolarHBondContact O-CG1 3.33Å; T745-M753 WeakPolarHBondContact CG2-O 3.34Å; T745-P755 HydrophobicContact CG2-CB 4.23Å; T745-P755 HydrophobicContact CG2-CG 3.78Å; T745-I758 HydrophobicContact CG2-CG1 3.99Å; T745-I810 HydrophobicContact CG2-CG2 4.08Å
746	S	95.7	Very high	96.7	Very high	91 Å²	91	41.4 Å²	41.4	64%	0.636	23%	0.226	S	C	*	.	H	α-helix	trans	-78	-39.9	168.7	58.1	0	0	0	0	111	S742 D743 V748	S742-S746 PolarHBondContact O-N 3.09Å; D743-S746 PolarHBondContact O-N 2.89Å; D743-S746 PolarHBondContact O-OG 3.41Å; S746-V748 PolarHBondContact O-N 2.69Å
747	S	95.4	Very high	96.7	Very high	30 Å²	30	43.7 Å²	43.7	21%	0.21	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73	25.6	170.9	-57	0	0	0	0	114.5	L640 E749 E750 N751	L640-S747 WeakPolarHBondContact O-CB 3.34Å; S747-E749 VanDerWaalsContact C-N 3.27Å; S747-E749 PolarHBondContact O-N 3.35Å; S747-E750 PolarHBondContact O-N 2.97Å; S747-N751 PolarHBondContact O-N 2.98Å; S747-N751 PolarHBondContact O-ND2 3.15Å; S747-N751 PolarHBondContact O-OD1 3.14Å
748	V	96.1	Very high	96.7	Very high	47 Å²	47	43.6 Å²	43.6	29%	0.285	24%	0.238	S	C	.	.	H	α-helix	trans	-64	-26.8	-173.3	61.2	0	0	0	0	113.9	T745 S746 E750 Q752 T754	T745-V748 WeakPolarHBondContact O-CB 3.3Å; T745-V748 WeakPolarHBondContact O-CG1 3.33Å; S746-V748 PolarHBondContact O-N 2.69Å; V748-E750 VanDerWaalsContact C-N 3.34Å; V748-Q752 WeakPolarHBondContact O-CA 3.4Å; V748-Q752 PolarHBondContact O-N 3.26Å; V748-T754 HydrophobicContact CG2-CG2 3.88Å
749	E	95.9	Very high	96.7	Very high	187 Å²	187	43.6 Å²	43.6	87%	0.874	24%	0.238	S	C	*	.	H	α-helix	trans	-66.2	-38.1	178.3	-56.6	-163.7	155.3	0	0	111.8	S747	S747-E749 VanDerWaalsContact C-N 3.27Å; S747-E749 PolarHBondContact O-N 3.35Å
750	E	95.4	Very high	96.7	Very high	118 Å²	118	46.6 Å²	46.6	55%	0.551	26%	0.255	S	S	*	.	H	α-helix	trans	-79.9	-57	175.6	-60	179.1	169.2	0	0	110.8	D641 V643 S747 V748	D641-E750 WeakPolarHBondContact CA-OE2 3.24Å; D641-E750 WeakPolarHBondContact CB-OE2 3.43Å; V643-E750 WeakPolarHBondContact CG2-O 3.48Å; S747-E750 PolarHBondContact O-N 2.97Å; V748-E750 VanDerWaalsContact C-N 3.34Å
751	N	95.8	Very high	96.7	Very high	0 Å²	0	48 Å²	48	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-86.9	-10	-167.8	69.5	38.3	0	0	0	114.9	L640 V643 G644 V744 S747 M753	L640-N751 VanDerWaalsContact O-CB 3.27Å; L640-N751 WeakPolarHBondContact O-CB 3.2Å; L640-N751 PolarHBondContact O-ND2 3.49Å; V643-N751 CarbonylContact C-O 3.44Å; V643-N751 WeakPolarHBondContact CA-O 3.33Å; G644-N751 PolarHBondContact N-O 2.71Å; V744-N751 PolarHBondContact O-ND2 2.95Å; S747-N751 PolarHBondContact O-N 2.98Å; S747-N751 PolarHBondContact O-ND2 3.15Å; S747-N751 PolarHBondContact O-OD1 3.14Å; N751-M753 PolarHBondContact O-N 2.96Å; N751-M753 WeakPolarHBondContact OD1-CA 3.24Å; N751-M753 VanDerWaalsContact OD1-CB 3.24Å; N751-M753 WeakPolarHBondContact OD1-CB 3.47Å; N751-M753 PolarHBondContact OD1-N 3.1Å
752	Q	96.8	Very high	96.7	Very high	102 Å²	102	48 Å²	48	48%	0.477	27%	0.265	S	S	.	.			trans	61.7	20.3	-179.9	-49.7	175.3	-7	0	0	114.9	V643 V748 N757	V643-Q752 HydrophobicContact CG1-CG 4.35Å; V748-Q752 WeakPolarHBondContact O-CA 3.4Å; V748-Q752 PolarHBondContact O-N 3.26Å; Q752-N757 PolarHBondContact O-ND2 2.91Å
753	M	97.3	Very high	96.6	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.253	C	S	.	.			trans	-105.4	82.5	-176.1	-66.2	-55.7	-60.9	0	0	112	L645 R647 V744 T745 N751 N757 I758	L645-M753 WeakPolarHBondContact O-CE 3.39Å; L645-M753 WeakPolarHBondContact O-CG 3.4Å; R647-M753 HydrophobicContact CB-CE 3.82Å; R647-M753 HydrophobicContact CB-SD 3.74Å; V744-M753 HydrophobicContact CG1-CB 4.4Å; T745-M753 WeakPolarHBondContact CG2-O 3.34Å; N751-M753 PolarHBondContact O-N 2.96Å; N751-M753 WeakPolarHBondContact OD1-CA 3.24Å; N751-M753 VanDerWaalsContact OD1-CB 3.24Å; N751-M753 WeakPolarHBondContact OD1-CB 3.47Å; N751-M753 PolarHBondContact OD1-N 3.1Å; M753-N757 VanDerWaalsContact CE-C 3.49Å; M753-N757 HydrophobicContact CE-CB 3.63Å; M753-N757 HydrophobicContact SD-CB 4.09Å; M753-I758 HydrophobicContact CB-CD1 3.81Å; M753-I758 HydrophobicContact CB-CG1 3.92Å; M753-I758 HydrophobicContact CE-CD1 3.66Å; M753-I758 HydrophobicContact CE-CG1 4.02Å; M753-I758 HydrophobicContact CG-CD1 4.28Å
754	T	97.9	Very high	96.5	Very high	52 Å²	52	45.6 Å²	45.6	32%	0.319	25%	0.251	S	S	.	.			trans	-59.5	160.6	169.3	69	0	0	0	0	111.9	V748 M756 N757 I758	V748-T754 HydrophobicContact CG2-CG2 3.88Å; T754-M756 PolarHBondContact O-N 3.11Å; T754-M756 VanDerWaalsContact O-N 3.11Å; T754-N757 WeakPolarHBondContact O-CB 3.36Å; T754-N757 PolarHBondContact O-N 2.93Å; T754-N757 PolarHBondContact OG1-N 3.19Å; T754-N757 VanDerWaalsContact OG1-N 3.09Å; T754-N757 PolarHBondContact OG1-OD1 3.36Å; T754-I758 PolarHBondContact O-N 3.2Å
755	P	97.8	Very high	96.4	Very high	30 Å²	30	46.1 Å²	46.1	20%	0.195	26%	0.255	C	S	.	.	H	α-helix	trans	-52.9	-34.2	173.9	-27.7	34.3	0	0	0	113.5	T745 A759 A807 I810 M811	T745-P755 HydrophobicContact CG2-CB 4.23Å; T745-P755 HydrophobicContact CG2-CG 3.78Å; P755-A759 WeakPolarHBondContact O-CB 3.48Å; P755-A759 PolarHBondContact O-N 3.3Å; P755-A807 HydrophobicContact CB-CB 4.36Å; P755-I810 HydrophobicContact CB-CB 4.36Å; P755-I810 HydrophobicContact CB-CG2 4.3Å; P755-M811 HydrophobicContact CB-CG 4.11Å; P755-M811 HydrophobicContact CG-CG 4Å
756	M	97.3	Very high	96.3	Very high	79 Å²	79	45.2 Å²	45.2	39%	0.389	25%	0.25	S	C	.	.	H	α-helix	trans	-71	-42.9	174.9	-166.9	69.1	179.7	0	0	112.2	T754 I758 A759 V760 T803 A807	T754-M756 PolarHBondContact O-N 3.11Å; T754-M756 VanDerWaalsContact O-N 3.11Å; M756-I758 VanDerWaalsContact C-N 3.34Å; M756-I758 PolarHBondContact O-N 3.16Å; M756-A759 PolarHBondContact O-N 2.82Å; M756-V760 WeakPolarHBondContact O-CG2 3.32Å; M756-V760 PolarHBondContact O-N 3.37Å; M756-T803 HydrophobicContact CE-CG2 3.54Å; M756-T803 HydrophobicContact SD-CG2 3.78Å; M756-A807 HydrophobicContact SD-CB 4.16Å
757	N	97.3	Very high	96.1	Very high	56 Å²	56	41.4 Å²	41.4	30%	0.299	22%	0.221	S	C	.	.	H	α-helix	trans	-62	-42.5	176.7	-69.1	-7.5	0	0	0	111.1	Q752 M753 T754 C761	Q752-N757 PolarHBondContact O-ND2 2.91Å; M753-N757 VanDerWaalsContact CE-C 3.49Å; M753-N757 HydrophobicContact CE-CB 3.63Å; M753-N757 HydrophobicContact SD-CB 4.09Å; T754-N757 WeakPolarHBondContact O-CB 3.36Å; T754-N757 PolarHBondContact O-N 2.93Å; T754-N757 PolarHBondContact OG1-N 3.19Å; T754-N757 VanDerWaalsContact OG1-N 3.09Å; T754-N757 PolarHBondContact OG1-OD1 3.36Å; N757-C761 PolarHBondContact O-SG 3.47Å
758	I	97.9	Very high	95.7	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-62.9	-48.1	173.8	-70.8	-68.5	0	0	0	110.6	F646 L741 V744 T745 M753 T754 M756 V760 C761 L762 I810	F646-I758 HydrophobicContact CB-CD1 4.42Å; F646-I758 HydrophobicContact CD2-CD1 4.1Å; L741-I758 HydrophobicContact CB-CG2 4.35Å; L741-I758 HydrophobicContact CD1-CG2 3.98Å; L741-I758 HydrophobicContact CD2-CG2 3.8Å; L741-I758 HydrophobicContact CG-CG2 4.24Å; V744-I758 HydrophobicContact CG1-CD1 3.71Å; V744-I758 HydrophobicContact CG1-CG1 4.4Å; T745-I758 HydrophobicContact CG2-CG1 3.99Å; M753-I758 HydrophobicContact CB-CD1 3.81Å; M753-I758 HydrophobicContact CB-CG1 3.92Å; M753-I758 HydrophobicContact CE-CD1 3.66Å; M753-I758 HydrophobicContact CE-CG1 4.02Å; M753-I758 HydrophobicContact CG-CD1 4.28Å; T754-I758 PolarHBondContact O-N 3.2Å; M756-I758 VanDerWaalsContact C-N 3.34Å; M756-I758 PolarHBondContact O-N 3.16Å; I758-V760 PolarHBondContact O-N 3.39Å; I758-C761 WeakPolarHBondContact O-CB 3.46Å; I758-C761 PolarHBondContact O-N 2.87Å; I758-L762 HydrophobicContact CG2-CD1 3.93Å; I758-L762 PolarHBondContact O-N 3.05Å; I758-I810 HydrophobicContact CB-CD1 4.26Å; I758-I810 HydrophobicContact CG2-CD1 3.6Å
759	A	97.6	Very high	94.8	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-60.8	-41.4	-177.4	0	0	0	0	0	113.1	P755 M756 C761 L762 A763 T803 L806 A807	P755-A759 WeakPolarHBondContact O-CB 3.48Å; P755-A759 PolarHBondContact O-N 3.3Å; M756-A759 PolarHBondContact O-N 2.82Å; A759-C761 PolarHBondContact O-N 2.61Å; A759-L762 PolarHBondContact O-N 3.18Å; A759-A763 WeakPolarHBondContact O-CB 3.32Å; A759-A763 PolarHBondContact O-N 3.05Å; A759-T803 HydrophobicContact CB-CG2 3.96Å; A759-T803 VanDerWaalsContact CB-O 3.27Å; A759-T803 WeakPolarHBondContact CB-O 3.43Å; A759-L806 HydrophobicContact CB-CB 3.91Å; A759-L806 HydrophobicContact CB-CD2 4.27Å; A759-L806 HydrophobicContact CB-CG 4.01Å; A759-A807 HydrophobicContact CB-CB 3.91Å
760	V	96.3	Very high	93.1	Very high	83 Å²	83	36 Å²	36	50%	0.503	19%	0.194	S	C	.	.	H	α-helix	trans	-57.9	-37.4	174.9	170	0	0	0	0	111.3	M756 I758 T803	M756-V760 WeakPolarHBondContact O-CG2 3.32Å; M756-V760 PolarHBondContact O-N 3.37Å; I758-V760 PolarHBondContact O-N 3.39Å; V760-T803 HydrophobicContact CB-CG2 4.37Å; V760-T803 HydrophobicContact CG2-CG2 3.49Å; V760-T803 VanDerWaalsContact CG2-CG2 3.49Å
761	C	96.6	Very high	91.3	Very high	31 Å²	31	32.9 Å²	32.9	21%	0.209	18%	0.181	C	C	.	.	H	α-helix	trans	-78.9	-30.2	-177.5	-60.4	0	0	0	0	113.4	F646 N757 I758 A759	F646-C761 HydrophobicContact CB-CB 4.42Å; N757-C761 PolarHBondContact O-SG 3.47Å; I758-C761 WeakPolarHBondContact O-CB 3.46Å; I758-C761 PolarHBondContact O-N 2.87Å; A759-C761 PolarHBondContact O-N 2.61Å
762	L	97.1	Very high	88.9	Confident	0 Å²	0	37 Å²	37	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-104.4	-32	-172.7	-84.8	163.9	0	0	0	114.9	F646 K684 L741 I758 A759 P764 S765 L766 L806	F646-L762 HydrophobicContact CD1-CD1 4.47Å; K684-L762 HydrophobicContact CD-CD2 4.44Å; K684-L762 HydrophobicContact CG-CD2 3.68Å; K684-L762 HydrophobicContact CG-CG 4.45Å; L741-L762 HydrophobicContact CD1-CD1 3.63Å; L741-L762 HydrophobicContact CD2-CD1 3.59Å; L741-L762 HydrophobicContact CG-CD1 4.25Å; I758-L762 HydrophobicContact CG2-CD1 3.93Å; I758-L762 PolarHBondContact O-N 3.05Å; A759-L762 PolarHBondContact O-N 3.18Å; L762-P764 VanDerWaalsContact C-CD 3.47Å; L762-P764 VanDerWaalsContact C-N 3.35Å; L762-S765 WeakPolarHBondContact O-CA 3.29Å; L762-S765 WeakPolarHBondContact O-CB 3.4Å; L762-S765 PolarHBondContact O-N 3.27Å; L762-L766 HydrophobicContact CB-CD1 4.5Å; L762-L766 HydrophobicContact CB-CG 4.5Å; L762-L766 PolarHBondContact O-N 2.91Å; L762-L806 HydrophobicContact CB-CD2 3.81Å
763	A	95.8	Very high	86.5	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-53.4	-41.6	-176.7	0	0	0	0	0	113.8	A759 S765 L766 F767 A802 L806	A759-A763 WeakPolarHBondContact O-CB 3.32Å; A759-A763 PolarHBondContact O-N 3.05Å; A763-S765 PolarHBondContact O-N 3.05Å; A763-S765 VanDerWaalsContact O-N 3.16Å; A763-L766 PolarHBondContact O-N 3.48Å; A763-F767 HydrophobicContact CB-CD2 4.13Å; A763-F767 HydrophobicContact CB-CE2 4.36Å; A763-F767 WeakPolarHBondContact O-CB 3.32Å; A763-F767 WeakPolarHBondContact O-CD2 3.48Å; A763-F767 PolarHBondContact O-N 3.48Å; A763-A802 HydrophobicContact CB-CB 4.1Å; A763-L806 HydrophobicContact CB-CD2 3.98Å
764	P	93.2	Very high	83.7	Confident	32 Å²	32	42.7 Å²	42.7	21%	0.208	22%	0.222	C	C	.	.	H	α-helix	trans	-60.2	-26.2	174.9	-25.1	36	0	0	0	114.5	L762 H768	L762-P764 VanDerWaalsContact C-CD 3.47Å; L762-P764 VanDerWaalsContact C-N 3.35Å; P764-H768 WeakPolarHBondContact O-CA 3.45Å; P764-H768 PolarHBondContact O-N 3.39Å
765	S	94.6	Very high	81	Confident	12 Å²	12	46.7 Å²	46.7	8%	0.084	24%	0.242	C	C	.	.	H	α-helix	trans	-91.4	-27.2	179.9	-53.8	0	0	0	0	113	F687 L762 A763 H768	F687-S765 CarbonylContact C-O 3.55Å; L762-S765 WeakPolarHBondContact O-CA 3.29Å; L762-S765 WeakPolarHBondContact O-CB 3.4Å; L762-S765 PolarHBondContact O-N 3.27Å; A763-S765 PolarHBondContact O-N 3.05Å; A763-S765 VanDerWaalsContact O-N 3.16Å; S765-H768 PolarHBondContact O-CD2 3.48Å; S765-H768 VanDerWaalsContact O-CD2 3.26Å
766	L	95.6	Very high	78.1	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-89.6	-30.6	178.9	-56.8	-170.1	0	0	0	113.6	F687 P693 L694 L695 L737 L762 A763 L806	F687-L766 HydrophobicContact CB-CD2 3.75Å; F687-L766 HydrophobicContact CD1-CD2 4.07Å; F687-L766 HydrophobicContact CD2-CD2 3.98Å; F687-L766 HydrophobicContact CG-CD2 3.66Å; P693-L766 VanDerWaalsContact CB-O 3.23Å; P693-L766 WeakPolarHBondContact CB-O 3.4Å; L694-L766 HydrophobicContact CB-CD2 4.36Å; L694-L766 HydrophobicContact CD2-CD2 3.97Å; L694-L766 PolarHBondContact N-O 3.27Å; L695-L766 HydrophobicContact CD1-CB 4.34Å; L695-L766 PolarHBondContact N-O 2.97Å; L737-L766 HydrophobicContact CD2-CD1 3.7Å; L737-L766 HydrophobicContact CD2-CD2 3.77Å; L737-L766 HydrophobicContact CD2-CG 4.4Å; L762-L766 HydrophobicContact CB-CD1 4.5Å; L762-L766 HydrophobicContact CB-CG 4.5Å; L762-L766 PolarHBondContact O-N 2.91Å; A763-L766 PolarHBondContact O-N 3.48Å; L766-L806 HydrophobicContact CD1-CD1 3.91Å; L766-L806 HydrophobicContact CD1-CD2 3.86Å
767	F	91	Very high	75.5	Confident	11 Å²	11	50.8 Å²	50.8	5%	0.048	26%	0.263	C	S	.	.	S	Bend	trans	-102.2	-8.7	178.8	-71	-100.2	0	0	0	113.8	L695 F703 L704 A763 L769 A802 L806	L695-F767 HydrophobicContact CD1-CD1 3.95Å; L695-F767 HydrophobicContact CD1-CD2 3.61Å; L695-F767 HydrophobicContact CD1-CE1 3.68Å; L695-F767 HydrophobicContact CD1-CE2 3.32Å; L695-F767 HydrophobicContact CD1-CG 3.93Å; L695-F767 HydrophobicContact CD1-CZ 3.37Å; F703-F767 HydrophobicContact CB-CE1 3.97Å; F703-F767 HydrophobicContact CB-CZ 4.47Å; L704-F767 HydrophobicContact CG-CD1 4.45Å; L704-F767 HydrophobicContact CG-CE1 4.44Å; A763-F767 HydrophobicContact CB-CD2 4.13Å; A763-F767 HydrophobicContact CB-CE2 4.36Å; A763-F767 WeakPolarHBondContact O-CB 3.32Å; A763-F767 WeakPolarHBondContact O-CD2 3.48Å; A763-F767 PolarHBondContact O-N 3.48Å; F767-L769 HydrophobicContact CB-CD1 4.45Å; F767-L769 HydrophobicContact CB-CD2 3.62Å; F767-L769 HydrophobicContact CB-CG 3.75Å; F767-L769 HydrophobicContact CG-CD2 4.4Å; F767-L769 PolarHBondContact O-N 3.33Å; F767-A802 HydrophobicContact CD1-CB 4.18Å; F767-A802 HydrophobicContact CD2-CB 3.74Å; F767-A802 HydrophobicContact CE1-CB 4.15Å; F767-A802 HydrophobicContact CE2-CB 3.71Å; F767-A802 HydrophobicContact CG-CB 3.97Å; F767-A802 HydrophobicContact CZ-CB 3.92Å; F767-L806 HydrophobicContact CE2-CB 4.44Å
768	H	87.1	Confident	72.7	Confident	7 Å²	7	51.6 Å²	51.6	3%	0.032	27%	0.273	C	S	.	.			trans	57.4	26.8	-179.2	-77.3	-149.9	0	0	0	115.1	F687 R688 L690 P693 P764 S765 N770 I771 M772	F687-H768 PolarHBondContact O-NE2 3.03Å; R688-H768 PolarHBondContact O-CE1 3.43Å; R688-H768 VanDerWaalsContact O-CE1 3.31Å; R688-H768 PolarHBondContact O-NE2 2.92Å; L690-H768 PolarHBondContact O-CE1 3.11Å; P693-H768 HydrophobicContact CB-CB 3.95Å; P693-H768 HydrophobicContact CG-CB 4.01Å; P764-H768 WeakPolarHBondContact O-CA 3.45Å; P764-H768 PolarHBondContact O-N 3.39Å; S765-H768 PolarHBondContact O-CD2 3.48Å; S765-H768 VanDerWaalsContact O-CD2 3.26Å; H768-N770 PolarHBondContact O-N 3.15Å; H768-I771 HydrophobicContact CB-CB 4.23Å; H768-I771 HydrophobicContact CB-CD1 4.44Å; H768-I771 PolarHBondContact O-N 2.94Å; H768-M772 HydrophobicContact CB-CE 4.04Å; H768-M772 PolarHBondContact O-N 3.03Å
769	L	76	Confident	70.2	Confident	27 Å²	27	56.3 Å²	56.3	14%	0.141	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.1	-35.9	-174.3	-54.8	174	0	0	0	114.1	L704 F767 N799 A802	L704-L769 HydrophobicContact CD1-CD2 4.33Å; L704-L769 HydrophobicContact CD2-CD2 4.46Å; F767-L769 HydrophobicContact CB-CD1 4.45Å; F767-L769 HydrophobicContact CB-CD2 3.62Å; F767-L769 HydrophobicContact CB-CG 3.75Å; F767-L769 HydrophobicContact CG-CD2 4.4Å; F767-L769 PolarHBondContact O-N 3.33Å; L769-N799 HydrophobicContact CD1-CB 4.4Å; L769-N799 WeakPolarHBondContact CD1-OD1 3.43Å; L769-A802 HydrophobicContact CD1-CB 3.79Å; L769-A802 HydrophobicContact CD2-CB 4.34Å
770	N	61.1	Low	67.6	Low	115 Å²	115	64.7 Å²	64.7	62%	0.615	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	-8	-178.4	-65	-40	0	0	0	114.1	H768	H768-N770 PolarHBondContact O-N 3.15Å
771	I	57.7	Low	65.1	Low	54 Å²	54	62.6 Å²	62.6	28%	0.277	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.6	-36.6	-173.5	-60.5	174.8	0	0	0	111.5	R688 H768 R773 K774	R688-I771 HydrophobicContact CG-CD1 3.88Å; H768-I771 HydrophobicContact CB-CB 4.23Å; H768-I771 HydrophobicContact CB-CD1 4.44Å; H768-I771 PolarHBondContact O-N 2.94Å; I771-R773 PolarHBondContact O-N 2.89Å; I771-K774 PolarHBondContact O-N 3.22Å
772	M	45.1	Very low	62.7	Low	86 Å²	86	64.1 Å²	64.1	42%	0.424	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.2	-16.6	-176.7	-70.4	-66.9	104.4	0	0	115.8	H768 N776	H768-M772 HydrophobicContact CB-CE 4.04Å; H768-M772 PolarHBondContact O-N 3.03Å; M772-N776 PolarHBondContact O-ND2 3.29Å
773	R	47.2	Very low	60.2	Low	74 Å²	74	71.4 Å²	71.4	28%	0.279	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-16.5	177.9	-72.6	-178.9	163.8	-177.6	-4.6	115.4	I771 L777 Y786 D795	I771-R773 PolarHBondContact O-N 2.89Å; R773-L777 HydrophobicContact CB-CD1 4.34Å; R773-Y786 WeakPolarHBondContact CD-OH 3.39Å; R773-D795 IonicContact CZ-OD1 2.78Å; R773-D795 VanDerWaalsContact CZ-OD1 3.28Å; R773-D795 IonicContact CZ-OD2 2.64Å; R773-D795 IonicContact NH1-OD1 2.68Å; R773-D795 IonicContact NH1-OD2 3.61Å; R773-D795 PolarHBondContact NH1-OD2 3.15Å; R773-D795 IonicContact NH2-OD1 2.61Å; R773-D795 PolarHBondContact NH2-OD1 2.96Å; R773-D795 IonicContact NH2-OD2 3.62Å; R773-D795 PolarHBondContact NH2-OD2 3.38Å
774	K	38.4	Very low	57.9	Low	148 Å²	148	80.4 Å²	80.4	64%	0.643	41%	0.41	S	S	*	.	S	Bend	trans	-74.4	-39.4	-170.2	-165.9	179.3	179.2	-173.2	0	113.1	I771	I771-K774 PolarHBondContact O-N 3.22Å
775	D	40.8	Very low	55.6	Low	136 Å²	136	85.2 Å²	85.2	73%	0.727	43%	0.427	S	S	*	.	S	Bend	trans	-95.2	-16.8	-172	-53.6	-47.4	0	0	0	113.4
776	N	37.7	Very low	53.4	Low	135 Å²	135	90.6 Å²	90.6	72%	0.722	45%	0.447	S	S	*	.	S	Bend	trans	-96.8	-1.6	-178.4	-69.7	-57	0	0	0	114.3	M772	M772-N776 PolarHBondContact O-ND2 3.29Å
777	L	40.9	Very low	51.1	Low	59 Å²	59	94.7 Å²	94.7	31%	0.309	48%	0.48	S	S	.	.	S	Bend	trans	-123.7	130.3	-177.9	-67	177.2	0	0	0	111.9	R773 M782	R773-L777 HydrophobicContact CB-CD1 4.34Å; L777-M782 HydrophobicContact CB-CG 4.16Å
778	S	38.7	Very low	49.3	Very low	74 Å²	74	99.4 Å²	99.4	52%	0.517	51%	0.51	S	S	.	.			trans	-55.2	140.4	167.4	180	0	0	0	0	110.3	K780 A781 M782	S778-K780 PolarHBondContact O-N 2.86Å; S778-A781 WeakPolarHBondContact O-CA 3.19Å; S778-A781 WeakPolarHBondContact O-CB 3.42Å; S778-A781 PolarHBondContact O-N 3.29Å; S778-M782 PolarHBondContact O-N 3.08Å
779	P	46.8	Very low	47.8	Very low	98 Å²	98	102.4 Å²	102.4	64%	0.636	54%	0.543	S	S	*	.	H	α-helix	trans	-52.4	-32.4	179.8	-30	35.8	0	0	0	114.2	A781 M782 Q783	P779-A781 VanDerWaalsContact C-N 3.28Å; P779-A781 PolarHBondContact O-N 2.95Å; P779-M782 PolarHBondContact O-N 3.24Å; P779-Q783 PolarHBondContact O-N 2.9Å
780	K	41.9	Very low	46.9	Very low	176 Å²	176	111.5 Å²	111.5	77%	0.765	58%	0.576	S	S	*	*	H	α-helix	trans	-67.7	-23.6	176.6	-64.6	-173.8	176.8	-176.2	0	113.7	S778	S778-K780 PolarHBondContact O-N 2.86Å
781	A	45	Very low	47.1	Very low	40 Å²	40	110.4 Å²	110.4	33%	0.331	58%	0.575	S	S	.	*	H	α-helix	trans	-82.8	-33.7	175.7	0	0	0	0	0	112.4	S778 P779 K784 K785	S778-A781 WeakPolarHBondContact O-CA 3.19Å; S778-A781 WeakPolarHBondContact O-CB 3.42Å; S778-A781 PolarHBondContact O-N 3.29Å; P779-A781 VanDerWaalsContact C-N 3.28Å; P779-A781 PolarHBondContact O-N 2.95Å; A781-K784 PolarHBondContact O-N 3.28Å; A781-K785 PolarHBondContact O-N 2.88Å
782	M	44.8	Very low	48	Very low	62 Å²	62	112 Å²	112	31%	0.305	58%	0.584	S	S	.	*	H	α-helix	trans	-62.2	-49.7	175.3	-67.9	-178.9	69.6	0	0	111.3	L777 S778 P779 K784 K785 Y786	L777-M782 HydrophobicContact CB-CG 4.16Å; S778-M782 PolarHBondContact O-N 3.08Å; P779-M782 PolarHBondContact O-N 3.24Å; M782-K784 PolarHBondContact O-N 3.2Å; M782-K784 VanDerWaalsContact O-N 3.17Å; M782-K785 PolarHBondContact O-N 2.82Å; M782-K785 VanDerWaalsContact O-N 3.09Å; M782-Y786 HydrophobicContact CB-CD2 4.48Å; M782-Y786 WeakPolarHBondContact O-CD2 3.38Å; M782-Y786 PolarHBondContact O-N 2.65Å; M782-Y786 VanDerWaalsContact O-N 3.07Å
783	Q	45.2	Very low	49.8	Very low	154 Å²	154	113.4 Å²	113.4	72%	0.72	59%	0.589	S	S	*	*	H	α-helix	trans	-57.5	-33.3	-178.3	-72.4	-178	-40	0	0	113.3	P779	P779-Q783 PolarHBondContact O-N 2.9Å
784	K	47.4	Very low	51.4	Low	189 Å²	189	115.9 Å²	115.9	82%	0.822	60%	0.602	S	S	*	*	H	α-helix	trans	-85.9	-14.9	-179.6	-150.6	175.4	-175.6	-178.3	0	114.3	A781 M782	A781-K784 PolarHBondContact O-N 3.28Å; M782-K784 PolarHBondContact O-N 3.2Å; M782-K784 VanDerWaalsContact O-N 3.17Å
785	K	45.2	Very low	53.5	Low	132 Å²	132	109.9 Å²	109.9	57%	0.574	58%	0.577	S	S	*	*	H	α-helix	trans	-94.5	-34.7	175.6	-77.7	-163	171	-163	0	113.8	A781 M782	A781-K785 PolarHBondContact O-N 2.88Å; M782-K785 PolarHBondContact O-N 2.82Å; M782-K785 VanDerWaalsContact O-N 3.09Å
786	Y	47.9	Very low	55.7	Low	126 Å²	126	107.6 Å²	107.6	49%	0.494	57%	0.565	S	S	.	*	G	3₁₀ helix	trans	-86.1	-4.3	-178.4	-74.6	-79.9	0	0	0	114.4	R773 M782 T788 G789	R773-Y786 WeakPolarHBondContact CD-OH 3.39Å; M782-Y786 HydrophobicContact CB-CD2 4.48Å; M782-Y786 WeakPolarHBondContact O-CD2 3.38Å; M782-Y786 PolarHBondContact O-N 2.65Å; M782-Y786 VanDerWaalsContact O-N 3.07Å; Y786-T788 PolarHBondContact O-N 2.79Å; Y786-T788 VanDerWaalsContact O-N 3.14Å; Y786-G789 PolarHBondContact O-N 2.84Å
787	A	46.6	Very low	58	Low	85 Å²	85	104.7 Å²	104.7	70%	0.702	55%	0.549	S	S	*	.	G	3₁₀ helix	trans	-63.8	-14.5	180	0	0	0	0	0	115.2
788	T	53.9	Low	60.3	Low	110 Å²	110	103.8 Å²	103.8	68%	0.675	54%	0.543	S	S	*	.	G	3₁₀ helix	trans	-104.9	-3.7	-178.6	49.3	0	0	0	0	114.3	Y786 R790	Y786-T788 PolarHBondContact O-N 2.79Å; Y786-T788 VanDerWaalsContact O-N 3.14Å; T788-R790 PolarHBondContact O-N 3.42Å
789	G	56.3	Low	62.8	Low	71 Å²	71	102.4 Å²	102.4	73%	0.732	53%	0.53	S	S	*	.			trans	65.3	-2.4	172.8	0	0	0	0	0	117.6	Y786	Y786-G789 PolarHBondContact O-N 2.84Å
790	R	57.2	Low	65	Low	217 Å²	217	101.8 Å²	101.8	82%	0.819	52%	0.521	S	S	*	.	P	Polyproline II helix	trans	-102.8	137.2	179.9	-63.8	-175.4	-178.4	-166.6	-0.5	111.2	T788	T788-R790 PolarHBondContact O-N 3.42Å
791	P	64.9	Low	67.5	Low	92 Å²	92	93.6 Å²	93.6	60%	0.597	49%	0.486	S	S	*	.	P	Polyproline II helix	trans	-67.5	158.4	170.9	30.3	-34.8	0	0	0	111.2	D795	P791-D795 HydrophobicContact CB-CB 4.35Å
792	D	77.1	Confident	69.9	Low	87 Å²	87	91.7 Å²	91.7	47%	0.465	47%	0.47	S	S	.	.	P	Polyproline II helix	trans	-70.1	151.7	171.1	-160.7	-26.4	0	0	0	109.8	K794 D795 L796	D792-K794 PolarHBondContact O-N 3Å; D792-K794 PolarHBondContact OD1-N 3.48Å; D792-D795 HydrophobicContact CB-CB 4.29Å; D792-D795 VanDerWaalsContact CB-OD2 3.22Å; D792-D795 WeakPolarHBondContact CB-OD2 3.5Å; D792-D795 PolarHBondContact N-OD2 3.19Å; D792-D795 VanDerWaalsContact N-OD2 3.13Å; D792-D795 WeakPolarHBondContact O-CB 3.43Å; D792-D795 PolarHBondContact O-N 3.1Å; D792-L796 PolarHBondContact O-N 2.94Å
793	Q	82.2	Confident	72.3	Confident	116 Å²	116	89.3 Å²	89.3	54%	0.542	46%	0.459	S	S	.	.	H	α-helix	trans	-61.2	-31.3	174.3	-173.1	63.1	59.5	0	0	110.9	N797	Q793-N797 PolarHBondContact NE2-OD1 2.84Å; Q793-N797 WeakPolarHBondContact O-CB 3.3Å; Q793-N797 PolarHBondContact O-N 3.46Å; Q793-N797 PolarHBondContact O-OD1 3.28Å
794	K	81.4	Confident	74.8	Confident	127 Å²	127	85.6 Å²	85.6	55%	0.552	44%	0.442	S	S	*	.	H	α-helix	trans	-62.2	-47.3	171.5	-168.2	175	-170	-74.4	0	111.5	D792 L796 N797 E798	D792-K794 PolarHBondContact O-N 3Å; D792-K794 PolarHBondContact OD1-N 3.48Å; K794-L796 VanDerWaalsContact C-N 3.29Å; K794-L796 PolarHBondContact O-N 3.46Å; K794-N797 PolarHBondContact O-N 2.99Å; K794-E798 WeakPolarHBondContact CG-OE1 3.38Å; K794-E798 IonicContact NZ-OE1 3.89Å; K794-E798 PolarHBondContact NZ-OE1 3.05Å; K794-E798 WeakPolarHBondContact O-CG 3.21Å; K794-E798 PolarHBondContact O-N 3.28Å
795	D	81.7	Confident	77.1	Confident	22 Å²	22	76.6 Å²	76.6	12%	0.118	40%	0.403	C	S	.	.	H	α-helix	trans	-63.2	-36.1	-179.8	-54.1	-24.1	0	0	0	112.3	R773 P791 D792 N799	R773-D795 IonicContact CZ-OD1 2.78Å; R773-D795 VanDerWaalsContact CZ-OD1 3.28Å; R773-D795 IonicContact CZ-OD2 2.64Å; R773-D795 IonicContact NH1-OD1 2.68Å; R773-D795 IonicContact NH1-OD2 3.61Å; R773-D795 PolarHBondContact NH1-OD2 3.15Å; R773-D795 IonicContact NH2-OD1 2.61Å; R773-D795 PolarHBondContact NH2-OD1 2.96Å; R773-D795 IonicContact NH2-OD2 3.62Å; R773-D795 PolarHBondContact NH2-OD2 3.38Å; P791-D795 HydrophobicContact CB-CB 4.35Å; D792-D795 HydrophobicContact CB-CB 4.29Å; D792-D795 VanDerWaalsContact CB-OD2 3.22Å; D792-D795 WeakPolarHBondContact CB-OD2 3.5Å; D792-D795 PolarHBondContact N-OD2 3.19Å; D792-D795 VanDerWaalsContact N-OD2 3.13Å; D792-D795 WeakPolarHBondContact O-CB 3.43Å; D792-D795 PolarHBondContact O-N 3.1Å; D795-N799 PolarHBondContact O-N 3.45Å; D795-N799 PolarHBondContact O-ND2 3.3Å
796	L	86.1	Confident	79.6	Confident	88 Å²	88	70.3 Å²	70.3	46%	0.461	38%	0.375	S	S	.	.	H	α-helix	trans	-70.2	-43.6	176.7	-176.6	59.5	0	0	0	111.3	D792 K794 E798 N799 L800	D792-L796 PolarHBondContact O-N 2.94Å; K794-L796 VanDerWaalsContact C-N 3.29Å; K794-L796 PolarHBondContact O-N 3.46Å; L796-E798 VanDerWaalsContact C-N 3.28Å; L796-E798 PolarHBondContact O-N 3.27Å; L796-N799 PolarHBondContact O-N 3.32Å; L796-L800 WeakPolarHBondContact O-CB 3.22Å; L796-L800 PolarHBondContact O-N 2.88Å
797	N	87.8	Confident	82	Confident	73 Å²	73	64.7 Å²	64.7	39%	0.39	36%	0.355	S	S	.	.	H	α-helix	trans	-65.2	-32.4	175.1	-68.4	3.5	0	0	0	112	Q708 Q793 K794 A801	Q708-N797 PolarHBondContact NE2-O 3.17Å; Q793-N797 PolarHBondContact NE2-OD1 2.84Å; Q793-N797 WeakPolarHBondContact O-CB 3.3Å; Q793-N797 PolarHBondContact O-N 3.46Å; Q793-N797 PolarHBondContact O-OD1 3.28Å; K794-N797 PolarHBondContact O-N 2.99Å; N797-A801 VanDerWaalsContact O-CB 3.26Å; N797-A801 WeakPolarHBondContact O-CB 3.36Å; N797-A801 PolarHBondContact O-N 2.96Å
798	E	89.1	Confident	84.4	Confident	40 Å²	40	62.7 Å²	62.7	19%	0.187	33%	0.331	C	S	.	.	H	α-helix	trans	-72.5	-45.4	173.6	-73.3	172.3	-170.9	0	0	112.1	L704 K794 L796 L800 A801 A802	L704-E798 HydrophobicContact CD1-CB 4.24Å; L704-E798 HydrophobicContact CD1-CG 4.1Å; L704-E798 HydrophobicContact CD2-CB 4.14Å; L704-E798 WeakPolarHBondContact CD2-O 3.35Å; K794-E798 WeakPolarHBondContact CG-OE1 3.38Å; K794-E798 IonicContact NZ-OE1 3.89Å; K794-E798 PolarHBondContact NZ-OE1 3.05Å; K794-E798 WeakPolarHBondContact O-CG 3.21Å; K794-E798 PolarHBondContact O-N 3.28Å; L796-E798 VanDerWaalsContact C-N 3.28Å; L796-E798 PolarHBondContact O-N 3.27Å; E798-L800 VanDerWaalsContact C-N 3.3Å; E798-L800 PolarHBondContact O-N 3.06Å; E798-A801 PolarHBondContact O-N 3.49Å; E798-A802 WeakPolarHBondContact O-CB 3.26Å; E798-A802 PolarHBondContact O-N 3.5Å
799	N	91	Very high	86.5	Confident	45 Å²	45	57.4 Å²	57.4	24%	0.241	30%	0.299	C	S	.	.	H	α-helix	trans	-59.3	-42.1	173.1	-89	-93.4	0	0	0	111.8	L769 D795 L796 T803	L769-N799 HydrophobicContact CD1-CB 4.4Å; L769-N799 WeakPolarHBondContact CD1-OD1 3.43Å; D795-N799 PolarHBondContact O-N 3.45Å; D795-N799 PolarHBondContact O-ND2 3.3Å; L796-N799 PolarHBondContact O-N 3.32Å; N799-T803 VanDerWaalsContact O-CB 3.25Å; N799-T803 WeakPolarHBondContact O-CB 3.41Å; N799-T803 PolarHBondContact O-N 3.08Å; N799-T803 PolarHBondContact O-OG1 3.28Å
800	L	92.8	Very high	88.5	Confident	85 Å²	85	54 Å²	54	45%	0.445	26%	0.264	S	S	.	.	H	α-helix	trans	-63.4	-45.4	177	-176.2	60.8	0	0	0	111.5	L796 E798 T803 Q804	L796-L800 WeakPolarHBondContact O-CB 3.22Å; L796-L800 PolarHBondContact O-N 2.88Å; E798-L800 VanDerWaalsContact C-N 3.3Å; E798-L800 PolarHBondContact O-N 3.06Å; L800-T803 PolarHBondContact O-N 3.38Å; L800-Q804 HydrophobicContact CD1-CG 4.24Å; L800-Q804 WeakPolarHBondContact O-CB 3.18Å; L800-Q804 WeakPolarHBondContact O-CG 3.29Å; L800-Q804 PolarHBondContact O-N 2.84Å
801	A	94.1	Very high	90.3	Very high	4 Å²	4	49.8 Å²	49.8	3%	0.033	26%	0.255	C	S	.	.	H	α-helix	trans	-66.5	-40.6	178.6	0	0	0	0	0	112.9	L704 Q708 N797 E798 T803 G805	L704-A801 HydrophobicContact CD2-CB 4Å; Q708-A801 HydrophobicContact CG-CB 3.79Å; N797-A801 VanDerWaalsContact O-CB 3.26Å; N797-A801 WeakPolarHBondContact O-CB 3.36Å; N797-A801 PolarHBondContact O-N 2.96Å; E798-A801 PolarHBondContact O-N 3.49Å; A801-T803 VanDerWaalsContact C-N 3.35Å; A801-G805 WeakPolarHBondContact O-CA 3.37Å; A801-G805 PolarHBondContact O-N 2.88Å
802	A	95.1	Very high	91.7	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-63.8	-40.3	174	0	0	0	0	0	112	L704 A763 F767 L769 E798 G805 L806	L704-A802 HydrophobicContact CD2-CB 3.7Å; A763-A802 HydrophobicContact CB-CB 4.1Å; F767-A802 HydrophobicContact CD1-CB 4.18Å; F767-A802 HydrophobicContact CD2-CB 3.74Å; F767-A802 HydrophobicContact CE1-CB 4.15Å; F767-A802 HydrophobicContact CE2-CB 3.71Å; F767-A802 HydrophobicContact CG-CB 3.97Å; F767-A802 HydrophobicContact CZ-CB 3.92Å; L769-A802 HydrophobicContact CD1-CB 3.79Å; L769-A802 HydrophobicContact CD2-CB 4.34Å; E798-A802 WeakPolarHBondContact O-CB 3.26Å; E798-A802 PolarHBondContact O-N 3.5Å; A802-G805 PolarHBondContact O-N 3.36Å; A802-L806 WeakPolarHBondContact O-CB 3.41Å; A802-L806 PolarHBondContact O-N 2.69Å
803	T	96.3	Very high	92.4	Very high	12 Å²	12	43.5 Å²	43.5	7%	0.074	22%	0.215	C	C	.	.	H	α-helix	trans	-69.2	-51.2	179.4	-57.9	0	0	0	0	111.1	M756 A759 V760 N799 L800 A801 G805 L806 A807	M756-T803 HydrophobicContact CE-CG2 3.54Å; M756-T803 HydrophobicContact SD-CG2 3.78Å; A759-T803 HydrophobicContact CB-CG2 3.96Å; A759-T803 VanDerWaalsContact CB-O 3.27Å; A759-T803 WeakPolarHBondContact CB-O 3.43Å; V760-T803 HydrophobicContact CB-CG2 4.37Å; V760-T803 HydrophobicContact CG2-CG2 3.49Å; V760-T803 VanDerWaalsContact CG2-CG2 3.49Å; N799-T803 VanDerWaalsContact O-CB 3.25Å; N799-T803 WeakPolarHBondContact O-CB 3.41Å; N799-T803 PolarHBondContact O-N 3.08Å; N799-T803 PolarHBondContact O-OG1 3.28Å; L800-T803 PolarHBondContact O-N 3.38Å; A801-T803 VanDerWaalsContact C-N 3.35Å; T803-G805 PolarHBondContact O-N 2.91Å; T803-L806 PolarHBondContact O-N 2.66Å; T803-A807 WeakPolarHBondContact O-CB 3.41Å; T803-A807 PolarHBondContact O-N 3.37Å
804	Q	96.2	Very high	92.6	Very high	76 Å²	76	43.6 Å²	43.6	36%	0.355	22%	0.219	S	C	.	.	H	α-helix	trans	-58	-39.5	174.1	-72.9	-179.5	7.6	0	0	111.3	L800 H808	L800-Q804 HydrophobicContact CD1-CG 4.24Å; L800-Q804 WeakPolarHBondContact O-CB 3.18Å; L800-Q804 WeakPolarHBondContact O-CG 3.29Å; L800-Q804 PolarHBondContact O-N 2.84Å; Q804-H808 WeakPolarHBondContact O-CB 3.34Å; Q804-H808 PolarHBondContact O-N 3.21Å
805	G	96.5	Very high	93.1	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-68.2	-43.3	-179.8	0	0	0	0	0	113.7	Y707 A801 A802 T803 M809	Y707-G805 VanDerWaalsContact CD2-CA 3.43Å; Y707-G805 PolarHBondContact OH-O 3.21Å; A801-G805 WeakPolarHBondContact O-CA 3.37Å; A801-G805 PolarHBondContact O-N 2.88Å; A802-G805 PolarHBondContact O-N 3.36Å; T803-G805 PolarHBondContact O-N 2.91Å; G805-M809 WeakPolarHBondContact O-CB 3.45Å; G805-M809 VanDerWaalsContact O-CG 3.25Å; G805-M809 WeakPolarHBondContact O-CG 3.18Å; G805-M809 PolarHBondContact O-N 3.08Å
806	L	97.8	Very high	93.6	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-67.9	-38.7	175.1	-178.3	55.6	0	0	0	111.8	L738 A759 L762 A763 L766 F767 A802 T803 M809 I810	L738-L806 HydrophobicContact CD2-CD1 3.88Å; A759-L806 HydrophobicContact CB-CB 3.91Å; A759-L806 HydrophobicContact CB-CD2 4.27Å; A759-L806 HydrophobicContact CB-CG 4.01Å; L762-L806 HydrophobicContact CB-CD2 3.81Å; A763-L806 HydrophobicContact CB-CD2 3.98Å; L766-L806 HydrophobicContact CD1-CD1 3.91Å; L766-L806 HydrophobicContact CD1-CD2 3.86Å; F767-L806 HydrophobicContact CE2-CB 4.44Å; A802-L806 WeakPolarHBondContact O-CB 3.41Å; A802-L806 PolarHBondContact O-N 2.69Å; T803-L806 PolarHBondContact O-N 2.66Å; L806-M809 HydrophobicContact CB-CE 4.47Å; L806-M809 HydrophobicContact CD1-CE 4.27Å; L806-M809 PolarHBondContact O-N 3.21Å; L806-I810 HydrophobicContact CD1-CD1 4.37Å; L806-I810 HydrophobicContact CD1-CG1 4.41Å; L806-I810 HydrophobicContact CG-CD1 4.22Å; L806-I810 VanDerWaalsContact O-CG1 3.3Å; L806-I810 WeakPolarHBondContact O-CG1 3.22Å; L806-I810 PolarHBondContact O-N 2.69Å
807	A	97.9	Very high	93.9	Very high	8 Å²	8	38.1 Å²	38.1	7%	0.066	19%	0.187	C	C	.	.	H	α-helix	trans	-61.6	-46.9	175	0	0	0	0	0	111.9	P755 M756 A759 T803 M809 I810 M811	P755-A807 HydrophobicContact CB-CB 4.36Å; M756-A807 HydrophobicContact SD-CB 4.16Å; A759-A807 HydrophobicContact CB-CB 3.91Å; T803-A807 WeakPolarHBondContact O-CB 3.41Å; T803-A807 PolarHBondContact O-N 3.37Å; A807-M809 VanDerWaalsContact C-N 3.33Å; A807-M809 PolarHBondContact O-N 2.58Å; A807-I810 PolarHBondContact O-N 2.75Å; A807-M811 WeakPolarHBondContact O-CG 3.39Å; A807-M811 PolarHBondContact O-N 2.97Å; A807-M811 VanDerWaalsContact O-N 3.11Å
808	H	97.2	Very high	94.1	Very high	43 Å²	43	37.8 Å²	37.8	20%	0.199	18%	0.183	C	C	.	.	H	α-helix	trans	-62.4	-38.3	174.5	178.4	-106.3	0	0	0	112.2	Y707 Q804 I810 M811 E812	Y707-H808 HydrophobicContact CE1-CB 3.92Å; Y707-H808 AromaticContact CE1-CG 3.94Å; Y707-H808 AromaticContact CE1-ND1 3.64Å; Y707-H808 AromaticContact CZ-ND1 3.7Å; Y707-H808 PolarHBondContact OH-ND1 2.68Å; Q804-H808 WeakPolarHBondContact O-CB 3.34Å; Q804-H808 PolarHBondContact O-N 3.21Å; H808-I810 VanDerWaalsContact C-N 3.35Å; H808-I810 PolarHBondContact O-N 2.69Å; H808-M811 PolarHBondContact O-N 3.39Å; H808-E812 PolarHBondContact O-N 3.09Å
809	M	97.7	Very high	94.1	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-69.1	-27.9	176.4	-76.1	-173.4	-57.4	0	0	114	L695 V719 L738 G805 L806 A807 C813 L816	L695-M809 HydrophobicContact CD1-CE 4.22Å; L695-M809 HydrophobicContact CD2-CE 4.37Å; V719-M809 HydrophobicContact CG1-CG 3.97Å; V719-M809 HydrophobicContact CG1-SD 4.04Å; L738-M809 HydrophobicContact CD1-CB 3.99Å; L738-M809 HydrophobicContact CD2-CB 4.07Å; G805-M809 WeakPolarHBondContact O-CB 3.45Å; G805-M809 VanDerWaalsContact O-CG 3.25Å; G805-M809 WeakPolarHBondContact O-CG 3.18Å; G805-M809 PolarHBondContact O-N 3.08Å; L806-M809 HydrophobicContact CB-CE 4.47Å; L806-M809 HydrophobicContact CD1-CE 4.27Å; L806-M809 PolarHBondContact O-N 3.21Å; A807-M809 VanDerWaalsContact C-N 3.33Å; A807-M809 PolarHBondContact O-N 2.58Å; M809-C813 WeakPolarHBondContact O-CA 3.44Å; M809-C813 WeakPolarHBondContact O-CB 3.49Å; M809-C813 PolarHBondContact O-N 3.36Å; M809-L816 HydrophobicContact CB-CD1 3.74Å; M809-L816 HydrophobicContact CG-CD1 3.8Å; M809-L816 WeakPolarHBondContact O-CD1 3.34Å
810	I	97.6	Very high	93.8	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-71.5	-47	171.7	-65.5	159.5	0	0	0	109.6	L738 L741 T745 P755 I758 L806 A807 H808 E812 C813	L738-I810 HydrophobicContact CD2-CG1 3.76Å; L741-I810 HydrophobicContact CB-CD1 4.17Å; L741-I810 HydrophobicContact CB-CG1 4.03Å; L741-I810 HydrophobicContact CB-CG2 4.31Å; L741-I810 HydrophobicContact CD1-CD1 4.06Å; L741-I810 HydrophobicContact CD1-CG1 4.24Å; T745-I810 HydrophobicContact CG2-CG2 4.08Å; P755-I810 HydrophobicContact CB-CB 4.36Å; P755-I810 HydrophobicContact CB-CG2 4.3Å; I758-I810 HydrophobicContact CB-CD1 4.26Å; I758-I810 HydrophobicContact CG2-CD1 3.6Å; L806-I810 HydrophobicContact CD1-CD1 4.37Å; L806-I810 HydrophobicContact CD1-CG1 4.41Å; L806-I810 HydrophobicContact CG-CD1 4.22Å; L806-I810 VanDerWaalsContact O-CG1 3.3Å; L806-I810 WeakPolarHBondContact O-CG1 3.22Å; L806-I810 PolarHBondContact O-N 2.69Å; A807-I810 PolarHBondContact O-N 2.75Å; H808-I810 VanDerWaalsContact C-N 3.35Å; H808-I810 PolarHBondContact O-N 2.69Å; I810-E812 PolarHBondContact O-N 3.44Å; I810-C813 WeakPolarHBondContact O-CB 3.32Å; I810-C813 PolarHBondContact O-N 3.44Å; I810-C813 PolarHBondContact O-SG 3.38Å
811	M	95.5	Very high	93.3	Very high	128 Å²	128	36.7 Å²	36.7	63%	0.631	18%	0.176	S	C	*	.	H	α-helix	trans	-60.6	-44.5	179.7	-68.7	169.1	58	0	0	113.3	P755 A807 H808 C813	P755-M811 HydrophobicContact CB-CG 4.11Å; P755-M811 HydrophobicContact CG-CG 4Å; A807-M811 WeakPolarHBondContact O-CG 3.39Å; A807-M811 PolarHBondContact O-N 2.97Å; A807-M811 VanDerWaalsContact O-N 3.11Å; H808-M811 PolarHBondContact O-N 3.39Å; M811-C813 VanDerWaalsContact C-N 3.34Å
812	E	93.9	Very high	92.6	Very high	46 Å²	46	40.4 Å²	40.4	22%	0.215	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	12	-176.8	-63.6	-67.3	150.9	0	0	113.2	L716 H808 I810 N814 R815 L816	L716-E812 HydrophobicContact CD1-CB 4.19Å; L716-E812 HydrophobicContact CD1-CG 4.5Å; H808-E812 PolarHBondContact O-N 3.09Å; I810-E812 PolarHBondContact O-N 3.44Å; E812-N814 VanDerWaalsContact C-N 3.27Å; E812-N814 PolarHBondContact O-N 2.82Å; E812-R815 PolarHBondContact O-N 3.02Å; E812-R815 IonicContact OE1-NH1 3.44Å; E812-R815 WeakPolarHBondContact OE2-CD 3.46Å; E812-R815 IonicContact OE2-CZ 2.72Å; E812-R815 IonicContact OE2-NE 3.68Å; E812-R815 IonicContact OE2-NH1 3.5Å; E812-R815 PolarHBondContact OE2-NH1 3.17Å; E812-L816 HydrophobicContact CB-CD2 4.27Å; E812-L816 HydrophobicContact CB-CG 4.45Å; E812-L816 PolarHBondContact O-N 3.38Å; E812-L816 VanDerWaalsContact O-N 3.16Å
813	C	92.2	Very high	91.9	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.007	19%	0.194	C	C	.	.	H	α-helix	trans	-52	-38.6	-163.8	58.9	0	0	0	0	114.9	L738 S742 M809 I810 M811 R815 F817	L738-C813 HydrophobicContact CB-CB 4.04Å; S742-C813 PolarHBondContact OG-SG 3.28Å; M809-C813 WeakPolarHBondContact O-CA 3.44Å; M809-C813 WeakPolarHBondContact O-CB 3.49Å; M809-C813 PolarHBondContact O-N 3.36Å; I810-C813 WeakPolarHBondContact O-CB 3.32Å; I810-C813 PolarHBondContact O-N 3.44Å; I810-C813 PolarHBondContact O-SG 3.38Å; M811-C813 VanDerWaalsContact C-N 3.34Å; C813-R815 VanDerWaalsContact C-N 3.3Å; C813-R815 PolarHBondContact O-N 2.7Å; C813-F817 WeakPolarHBondContact O-CD2 3.41Å
814	N	87.2	Confident	91.1	Very high	117 Å²	117	40.2 Å²	40.2	63%	0.626	19%	0.191	S	C	*	.	H	α-helix	trans	-64.3	-32.8	178.5	-64	-15.8	0	0	0	113	E812	E812-N814 VanDerWaalsContact C-N 3.27Å; E812-N814 PolarHBondContact O-N 2.82Å
815	R	91	Very high	90.2	Very high	122 Å²	122	40.1 Å²	40.1	46%	0.46	20%	0.196	S	C	.	.	H	α-helix	trans	-92.2	-19.7	-175.7	-61.6	170.6	68.7	-154.9	11	113	L716 Q720 E812 C813 F817 E818	L716-R815 VanDerWaalsContact CD2-CZ 3.45Å; Q720-R815 PolarHBondContact NE2-O 2.68Å; E812-R815 PolarHBondContact O-N 3.02Å; E812-R815 IonicContact OE1-NH1 3.44Å; E812-R815 WeakPolarHBondContact OE2-CD 3.46Å; E812-R815 IonicContact OE2-CZ 2.72Å; E812-R815 IonicContact OE2-NE 3.68Å; E812-R815 IonicContact OE2-NH1 3.5Å; E812-R815 PolarHBondContact OE2-NH1 3.17Å; C813-R815 VanDerWaalsContact C-N 3.3Å; C813-R815 PolarHBondContact O-N 2.7Å; R815-F817 PolarHBondContact O-N 3.23Å; R815-E818 PolarHBondContact O-N 3.09Å
816	L	93	Very high	89.2	Confident	0 Å²	0	41 Å²	41	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-61.1	-28.2	179.2	-70.2	-172.2	0	0	0	114.2	L716 V719 I723 L738 M809 E812	L716-L816 HydrophobicContact CD1-CD2 3.79Å; V719-L816 HydrophobicContact CG1-CD2 3.7Å; I723-L816 HydrophobicContact CD1-CB 3.89Å; I723-L816 HydrophobicContact CD1-CD1 3.91Å; I723-L816 HydrophobicContact CD1-CD2 4.2Å; I723-L816 HydrophobicContact CD1-CG 4.24Å; L738-L816 HydrophobicContact CD1-CD1 3.59Å; M809-L816 HydrophobicContact CB-CD1 3.74Å; M809-L816 HydrophobicContact CG-CD1 3.8Å; M809-L816 WeakPolarHBondContact O-CD1 3.34Å; E812-L816 HydrophobicContact CB-CD2 4.27Å; E812-L816 HydrophobicContact CB-CG 4.45Å; E812-L816 PolarHBondContact O-N 3.38Å; E812-L816 VanDerWaalsContact O-N 3.16Å
817	F	92.8	Very high	87.8	Confident	1 Å²	1	41.4 Å²	41.4	0%	0.004	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107	11.3	-175.7	-53.3	-80.4	0	0	0	112.8	Q552 I553 I723 R731 L734 Q735 L738 C813 R815	Q552-F817 PolarHBondContact OE1-O 3.2Å; I553-F817 HydrophobicContact CD1-CB 4.29Å; I553-F817 WeakPolarHBondContact CD1-O 3.01Å; I553-F817 WeakPolarHBondContact CG1-O 3.43Å; I553-F817 PolarHBondContact N-O 2.72Å; I723-F817 HydrophobicContact CD1-CE1 4.48Å; I723-F817 HydrophobicContact CG2-CD1 3.87Å; I723-F817 HydrophobicContact CG2-CE1 3.68Å; R731-F817 HydrophobicContact CG-CD1 4.05Å; R731-F817 HydrophobicContact CG-CE1 3.85Å; L734-F817 HydrophobicContact CD2-CZ 4.44Å; L734-F817 HydrophobicContact CG-CZ 4.37Å; Q735-F817 VanDerWaalsContact CA-CZ 3.47Å; Q735-F817 HydrophobicContact CB-CD1 4.08Å; Q735-F817 HydrophobicContact CB-CD2 4.06Å; Q735-F817 HydrophobicContact CB-CE1 3.74Å; Q735-F817 HydrophobicContact CB-CE2 3.72Å; Q735-F817 HydrophobicContact CB-CG 4.24Å; Q735-F817 HydrophobicContact CB-CZ 3.56Å; Q735-F817 HydrophobicContact CG-CD1 4.25Å; Q735-F817 HydrophobicContact CG-CD2 3.61Å; Q735-F817 HydrophobicContact CG-CE1 4.32Å; Q735-F817 HydrophobicContact CG-CE2 3.7Å; Q735-F817 HydrophobicContact CG-CG 3.92Å; Q735-F817 HydrophobicContact CG-CZ 4.07Å; L738-F817 HydrophobicContact CD1-CE2 4.26Å; L738-F817 HydrophobicContact CD1-CZ 4.14Å; C813-F817 WeakPolarHBondContact O-CD2 3.41Å; R815-F817 PolarHBondContact O-N 3.23Å
818	E	91.3	Very high	86.3	Confident	66 Å²	66	46.2 Å²	46.2	31%	0.308	22%	0.219	S	C	.	.	B	Isolated β-bridge	trans	-89.4	144.8	167.4	-67	175.8	156.5	0	0	110.7	Q552 Q720 R815	Q552-E818 VanDerWaalsContact NE2-CG 3.26Å; Q720-E818 PolarHBondContact NE2-O 2.97Å; R815-E818 PolarHBondContact O-N 3.09Å
819	I	89.1	Confident	85	Confident	5 Å²	5	48.5 Å²	48.5	3%	0.026	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-85.4	123.9	176.6	-63.5	154.8	0	0	0	108.5	L551 I553 Q556 L564 H821 V824	L551-I819 WeakPolarHBondContact O-CB 3.38Å; L551-I819 WeakPolarHBondContact O-CD1 3.39Å; L551-I819 WeakPolarHBondContact O-CG1 3.47Å; L551-I819 PolarHBondContact O-N 3.37Å; I553-I819 HydrophobicContact CG1-CD1 4.46Å; I553-I819 HydrophobicContact CG1-CG1 3.96Å; Q556-I819 HydrophobicContact CG-CD1 3.41Å; Q556-I819 VanDerWaalsContact CG-CD1 3.41Å; L564-I819 HydrophobicContact CD1-CD1 3.63Å; L564-I819 HydrophobicContact CD1-CG1 4.06Å; L564-I819 HydrophobicContact CD1-CG2 4.21Å; L564-I819 HydrophobicContact CD2-CG2 3.72Å; I819-H821 PolarHBondContact O-N 2.69Å; I819-H821 VanDerWaalsContact O-N 3.15Å; I819-V824 HydrophobicContact CG2-CG2 3.82Å
820	P	85.5	Confident	84	Confident	21 Å²	21	49.8 Å²	49.8	14%	0.136	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-55.9	121.2	175.1	-26.7	35.3	0	0	0	111.4	Q720 E822 M823	Q720-P820 HydrophobicContact CB-CG 4.48Å; P820-E822 PolarHBondContact O-N 3.15Å; P820-M823 HydrophobicContact CB-CG 4.36Å; P820-M823 HydrophobicContact CB-SD 4.15Å; P820-M823 HydrophobicContact CG-SD 3.91Å; P820-M823 WeakPolarHBondContact O-CB 3.42Å; P820-M823 PolarHBondContact O-N 3.11Å
821	H	80.9	Confident	83.2	Confident	120 Å²	120	50.4 Å²	50.4	56%	0.556	24%	0.244	S	C	*	.	H	α-helix	trans	-52.3	-34.5	-177.4	-175.8	-79.5	0	0	0	112.9	L551 I819 M823 V824 T825	L551-H821 HydrophobicContact CD1-CB 4.48Å; I819-H821 PolarHBondContact O-N 2.69Å; I819-H821 VanDerWaalsContact O-N 3.15Å; H821-M823 VanDerWaalsContact C-N 3.31Å; H821-M823 PolarHBondContact O-N 2.84Å; H821-V824 PolarHBondContact O-N 3.25Å; H821-V824 VanDerWaalsContact O-N 3.15Å; H821-T825 WeakPolarHBondContact CE1-CG2 3.45Å; H821-T825 PolarHBondContact O-N 3.15Å; H821-T825 PolarHBondContact O-OG1 3.34Å
822	E	80.6	Confident	82.4	Confident	83 Å²	83	46.5 Å²	46.5	39%	0.388	23%	0.228	S	C	.	.	H	α-helix	trans	-51.6	-45.4	173	-67.3	173.5	-169.5	0	0	112.8	R571 P820 V824 T825 Q826	R571-E822 IonicContact CZ-OE2 3.97Å; R571-E822 IonicContact NH1-OE2 3.65Å; R571-E822 PolarHBondContact NH1-OE2 2.96Å; R571-E822 IonicContact NH2-OE2 2.91Å; R571-E822 PolarHBondContact NH2-OE2 3.2Å; P820-E822 PolarHBondContact O-N 3.15Å; E822-V824 VanDerWaalsContact C-N 3.33Å; E822-V824 PolarHBondContact O-N 3.47Å; E822-T825 VanDerWaalsContact CA-OG1 3.29Å; E822-T825 WeakPolarHBondContact CA-OG1 3.5Å; E822-T825 PolarHBondContact O-N 2.95Å; E822-T825 PolarHBondContact O-OG1 3.27Å; E822-Q826 WeakPolarHBondContact O-CB 3.31Å; E822-Q826 VanDerWaalsContact O-CG 3.23Å; E822-Q826 WeakPolarHBondContact O-CG 3.47Å; E822-Q826 PolarHBondContact O-N 3.24Å
823	M	79.9	Confident	81.6	Confident	4 Å²	4	51.5 Å²	51.5	2%	0.02	25%	0.251	C	S	.	.	H	α-helix	trans	-64.9	-37	-179.8	-69	168.9	56.3	0	0	111.8	L564 F567 S568 P820 H821 S827	L564-M823 HydrophobicContact CB-CE 4.4Å; L564-M823 HydrophobicContact CD2-CB 4.31Å; L564-M823 HydrophobicContact CD2-CE 3.88Å; F567-M823 HydrophobicContact CB-CE 3.97Å; S568-M823 VanDerWaalsContact OG-CE 3.28Å; S568-M823 WeakPolarHBondContact OG-CE 3.42Å; P820-M823 HydrophobicContact CB-CG 4.36Å; P820-M823 HydrophobicContact CB-SD 4.15Å; P820-M823 HydrophobicContact CG-SD 3.91Å; P820-M823 WeakPolarHBondContact O-CB 3.42Å; P820-M823 PolarHBondContact O-N 3.11Å; H821-M823 VanDerWaalsContact C-N 3.31Å; H821-M823 PolarHBondContact O-N 2.84Å; M823-S827 WeakPolarHBondContact O-CB 3.47Å; M823-S827 PolarHBondContact O-N 3.01Å; M823-S827 VanDerWaalsContact O-N 3.16Å; M823-S827 PolarHBondContact O-OG 2.98Å
824	V	79.1	Confident	81.1	Confident	4 Å²	4	52.7 Å²	52.7	2%	0.024	26%	0.261	C	S	.	.	H	α-helix	trans	-69	-40.3	174.9	175.4	0	0	0	0	110.8	L544 L551 I819 H821 E822 S827 R828 Y831	L544-V824 HydrophobicContact CD2-CG1 4.23Å; L551-V824 HydrophobicContact CD2-CG2 3.88Å; I819-V824 HydrophobicContact CG2-CG2 3.82Å; H821-V824 PolarHBondContact O-N 3.25Å; H821-V824 VanDerWaalsContact O-N 3.15Å; E822-V824 VanDerWaalsContact C-N 3.33Å; E822-V824 PolarHBondContact O-N 3.47Å; V824-S827 PolarHBondContact O-N 3.43Å; V824-S827 PolarHBondContact O-OG 3.21Å; V824-R828 WeakPolarHBondContact O-CA 3.48Å; V824-R828 PolarHBondContact O-N 3.42Å; V824-Y831 HydrophobicContact CB-CE1 4.35Å; V824-Y831 HydrophobicContact CG1-CD1 3.81Å; V824-Y831 HydrophobicContact CG1-CE1 3.54Å; V824-Y831 HydrophobicContact CG2-CE1 4.01Å; V824-Y831 HydrophobicContact CG2-CE2 4.28Å
825	T	76.9	Confident	80.9	Confident	74 Å²	74	49 Å²	49	45%	0.454	24%	0.242	S	C	.	.	H	α-helix	trans	-68.5	-36.1	176.6	48.5	0	0	0	0	113.7	H821 E822 S827	H821-T825 WeakPolarHBondContact CE1-CG2 3.45Å; H821-T825 PolarHBondContact O-N 3.15Å; H821-T825 PolarHBondContact O-OG1 3.34Å; E822-T825 VanDerWaalsContact CA-OG1 3.29Å; E822-T825 WeakPolarHBondContact CA-OG1 3.5Å; E822-T825 PolarHBondContact O-N 2.95Å; E822-T825 PolarHBondContact O-OG1 3.27Å; T825-S827 VanDerWaalsContact C-N 3.35Å
826	Q	75.3	Confident	80.5	Confident	19 Å²	19	44.8 Å²	44.8	9%	0.089	23%	0.228	C	C	.	.	H	α-helix	trans	-71.7	-28.7	177.4	-71.2	167.4	-5.5	0	0	112.6	F46 D48 F567 E822	F46-Q826 WeakPolarHBondContact CD2-O 3.25Å; D48-Q826 PolarHBondContact OD1-NE2 2.92Å; D48-Q826 PolarHBondContact OD2-NE2 3.48Å; F567-Q826 HydrophobicContact CE1-CB 3.93Å; E822-Q826 WeakPolarHBondContact O-CB 3.31Å; E822-Q826 VanDerWaalsContact O-CG 3.23Å; E822-Q826 WeakPolarHBondContact O-CG 3.47Å; E822-Q826 PolarHBondContact O-N 3.24Å
827	S	68.8	Low	79.8	Confident	8 Å²	8	48.6 Å²	48.6	6%	0.056	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101	7.2	-177.3	60.9	0	0	0	0	114.4	F567 M823 V824 T825 N829 S830 Y831	F567-S827 VanDerWaalsContact CE2-CB 3.43Å; M823-S827 WeakPolarHBondContact O-CB 3.47Å; M823-S827 PolarHBondContact O-N 3.01Å; M823-S827 VanDerWaalsContact O-N 3.16Å; M823-S827 PolarHBondContact O-OG 2.98Å; V824-S827 PolarHBondContact O-N 3.43Å; V824-S827 PolarHBondContact O-OG 3.21Å; T825-S827 VanDerWaalsContact C-N 3.35Å; S827-N829 VanDerWaalsContact C-N 3.34Å; S827-N829 PolarHBondContact O-N 2.84Å; S827-S830 PolarHBondContact O-N 3.16Å; S827-Y831 VanDerWaalsContact O-CB 3.26Å; S827-Y831 WeakPolarHBondContact O-CB 3.44Å; S827-Y831 PolarHBondContact O-N 2.88Å; S827-Y831 WeakPolarHBondContact OG-CB 3.39Å
828	R	67.7	Low	79.4	Confident	108 Å²	108	49 Å²	49	41%	0.408	25%	0.249	S	C	.	.	H	α-helix	trans	-47.8	-41.9	-156	-172	178.3	-178.8	-173.4	0.5	116.5	V824 V832	V824-R828 WeakPolarHBondContact O-CA 3.48Å; V824-R828 PolarHBondContact O-N 3.42Å; R828-V832 WeakPolarHBondContact O-CB 3.49Å; R828-V832 WeakPolarHBondContact O-CG2 3.43Å; R828-V832 PolarHBondContact O-N 3Å
829	N	69.5	Low	79.1	Confident	91 Å²	91	47.2 Å²	47.2	49%	0.487	24%	0.243	S	C	.	.	H	α-helix	trans	-68.1	-66.9	179.6	-65.1	-8.9	0	0	0	110	D92 S827 Y831 V832 E833	D92-N829 PolarHBondContact OD2-ND2 2.64Å; S827-N829 VanDerWaalsContact C-N 3.34Å; S827-N829 PolarHBondContact O-N 2.84Å; N829-Y831 PolarHBondContact O-N 3.18Å; N829-Y831 VanDerWaalsContact O-N 3.15Å; N829-V832 PolarHBondContact O-N 3.44Å; N829-E833 WeakPolarHBondContact O-CG 3.25Å; N829-E833 PolarHBondContact O-N 3.35Å
830	S	75.9	Confident	78.9	Confident	27 Å²	27	49 Å²	49	19%	0.189	26%	0.255	C	S	.	.	H	α-helix	trans	-62.9	-23.7	-176.7	-48.2	0	0	0	0	114.1	S827 A834	S827-S830 PolarHBondContact O-N 3.16Å; S830-A834 WeakPolarHBondContact O-CB 2.88Å; S830-A834 PolarHBondContact O-N 2.68Å; S830-A834 VanDerWaalsContact O-N 3.11Å
831	Y	81.6	Confident	78.8	Confident	13 Å²	13	49.6 Å²	49.6	5%	0.051	26%	0.256	C	S	.	.	H	α-helix	trans	-76	-33.8	174.1	175.9	-94.9	0	0	0	113.4	Q556 Q560 L564 V824 S827 N829	Q556-Y831 PolarHBondContact OE1-OH 3.44Å; Q560-Y831 HydrophobicContact CB-CD2 4.17Å; Q560-Y831 HydrophobicContact CB-CE2 3.89Å; Q560-Y831 HydrophobicContact CG-CD2 3.92Å; Q560-Y831 HydrophobicContact CG-CE2 3.82Å; Q560-Y831 WeakPolarHBondContact CG-O 3.49Å; Q560-Y831 PolarHBondContact NE2-O 3.1Å; L564-Y831 HydrophobicContact CD1-CE2 3.98Å; L564-Y831 HydrophobicContact CD2-CD2 4.41Å; L564-Y831 HydrophobicContact CD2-CE2 4.17Å; L564-Y831 HydrophobicContact CG-CD2 4.4Å; L564-Y831 HydrophobicContact CG-CE2 4.1Å; V824-Y831 HydrophobicContact CB-CE1 4.35Å; V824-Y831 HydrophobicContact CG1-CD1 3.81Å; V824-Y831 HydrophobicContact CG1-CE1 3.54Å; V824-Y831 HydrophobicContact CG2-CE1 4.01Å; V824-Y831 HydrophobicContact CG2-CE2 4.28Å; S827-Y831 VanDerWaalsContact O-CB 3.26Å; S827-Y831 WeakPolarHBondContact O-CB 3.44Å; S827-Y831 PolarHBondContact O-N 2.88Å; S827-Y831 WeakPolarHBondContact OG-CB 3.39Å; N829-Y831 PolarHBondContact O-N 3.18Å; N829-Y831 VanDerWaalsContact O-N 3.15Å
832	V	78.8	Confident	78.8	Confident	47 Å²	47	49.7 Å²	49.7	29%	0.285	26%	0.261	S	S	.	.	H	α-helix	trans	-77.3	-40.1	173.4	170.1	0	0	0	0	110.5	I540 R828 N829 A834 D835	I540-V832 HydrophobicContact CG1-CG1 4.43Å; I540-V832 HydrophobicContact CG2-CG2 4.27Å; R828-V832 WeakPolarHBondContact O-CB 3.49Å; R828-V832 WeakPolarHBondContact O-CG2 3.43Å; R828-V832 PolarHBondContact O-N 3Å; N829-V832 PolarHBondContact O-N 3.44Å; V832-A834 PolarHBondContact O-N 3.36Å; V832-D835 PolarHBondContact O-N 3.33Å
833	E	77.3	Confident	78.9	Confident	151 Å²	151	48.9 Å²	48.9	71%	0.706	26%	0.257	S	S	*	.	H	α-helix	trans	-61.8	-26.6	172.8	-68.8	168.5	169.8	0	0	112.9	N829	N829-E833 WeakPolarHBondContact O-CG 3.25Å; N829-E833 PolarHBondContact O-N 3.35Å
834	A	80.8	Confident	78.8	Confident	25 Å²	25	48.9 Å²	48.9	21%	0.207	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-6.1	177.2	0	0	0	0	0	114.7	S557 Q560 S830 V832	S557-A834 PolarHBondContact OG-O 2.89Å; Q560-A834 HydrophobicContact CG-CB 4.06Å; S830-A834 WeakPolarHBondContact O-CB 2.88Å; S830-A834 PolarHBondContact O-N 2.68Å; S830-A834 VanDerWaalsContact O-N 3.11Å; V832-A834 PolarHBondContact O-N 3.36Å
835	D	83.3	Confident	78.5	Confident	41 Å²	41	49.9 Å²	49.9	22%	0.219	26%	0.264	C	S	.	.			trans	-73.9	146.1	174.7	-155.3	-11.1	0	0	0	111.2	Q560 V832 H837 K1024	Q560-D835 VanDerWaalsContact NE2-CB 3.31Å; V832-D835 PolarHBondContact O-N 3.33Å; D835-H837 IonicContact OD2-CE1 2.69Å; D835-H837 PolarHBondContact OD2-CE1 3.48Å; D835-H837 IonicContact OD2-ND1 2.85Å; D835-H837 PolarHBondContact OD2-ND1 2.86Å; D835-K1024 IonicContact OD1-NZ 3.99Å; D835-K1024 PolarHBondContact OD1-NZ 3.3Å
836	L	82.8	Confident	78	Confident	32 Å²	32	54.5 Å²	54.5	17%	0.168	27%	0.273	C	S	.	.			trans	-101.8	99.4	168.4	-60.8	178.1	0	0	0	107.7	L899 M997 L999 D1022 K1024	L836-L899 HydrophobicContact CD1-CD1 4.33Å; L836-M997 HydrophobicContact CB-CB 4.34Å; L836-M997 HydrophobicContact CB-CG 3.97Å; L836-M997 WeakPolarHBondContact O-CG 3.43Å; L836-L999 HydrophobicContact CD1-CD1 4.48Å; L836-L999 HydrophobicContact CD1-CD2 4.49Å; L836-D1022 HydrophobicContact CD1-CB 3.81Å; L836-K1024 PolarHBondContact O-NZ 3.16Å
837	H	78.5	Confident	77.3	Confident	80 Å²	80	59.8 Å²	59.8	37%	0.37	30%	0.298	S	S	.	.	P	Polyproline II helix	trans	-86.4	152.6	165.3	-63.6	-27	0	0	0	109.9	R543 D835 M997	R543-H837 PolarHBondContact NH1-CD2 3.31Å; R543-H837 PolarHBondContact NH1-CE1 3.4Å; R543-H837 VanDerWaalsContact NH1-CE1 3.31Å; R543-H837 VanDerWaalsContact NH1-CG 3.33Å; R543-H837 PolarHBondContact NH1-ND1 3.47Å; R543-H837 PolarHBondContact NH1-NE2 3.26Å; D835-H837 IonicContact OD2-CE1 2.69Å; D835-H837 PolarHBondContact OD2-CE1 3.48Å; D835-H837 IonicContact OD2-ND1 2.85Å; D835-H837 PolarHBondContact OD2-ND1 2.86Å; H837-M997 WeakPolarHBondContact O-CE 3.48Å
838	A	83.4	Confident	76.7	Confident	11 Å²	11	62.6 Å²	62.6	9%	0.091	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-85.8	140.1	171.3	0	0	0	0	0	109.6	E984 M997	A838-E984 HydrophobicContact CB-CG 3.64Å; A838-E984 VanDerWaalsContact O-CD 3.28Å; A838-E984 WeakPolarHBondContact O-CG 3.48Å; A838-M997 HydrophobicContact CB-CE 3.73Å; A838-M997 HydrophobicContact CB-SD 3.79Å
839	P	85.1	Confident	76	Confident	28 Å²	28	67.4 Å²	67.4	18%	0.182	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-72.2	151.1	171.3	30	-33.3	0	0	0	110.2	E843 L844 I983 E984	P839-E843 HydrophobicContact CB-CB 3.65Å; P839-L844 HydrophobicContact CB-CD2 4.08Å; P839-L844 HydrophobicContact CB-CG 3.99Å; P839-L844 HydrophobicContact CG-CD1 4.29Å; P839-L844 HydrophobicContact CG-CD2 3.47Å; P839-L844 VanDerWaalsContact CG-CD2 3.47Å; P839-L844 HydrophobicContact CG-CG 3.65Å; P839-I983 CarbonylContact O-C 3.51Å; P839-I983 WeakPolarHBondContact O-CA 3.24Å; P839-I983 WeakPolarHBondContact O-CB 3.32Å; P839-E984 PolarHBondContact O-N 3.42Å
840	T	86	Confident	75.2	Confident	43 Å²	43	70.9 Å²	70.9	26%	0.264	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-67.5	167.7	158.9	66.8	0	0	0	0	110	D842 E843 L844	T840-D842 PolarHBondContact O-N 3.46Å; T840-D842 PolarHBondContact OG1-N 2.87Å; T840-E843 WeakPolarHBondContact CG2-OE2 3.4Å; T840-E843 PolarHBondContact O-N 2.86Å; T840-E843 WeakPolarHBondContact OG1-CB 3.23Å; T840-E843 PolarHBondContact OG1-N 2.94Å; T840-E843 PolarHBondContact OG1-OE2 3.39Å; T840-L844 PolarHBondContact O-N 3.36Å; T840-L844 VanDerWaalsContact O-N 3.12Å
841	I	83.4	Confident	73.9	Confident	32 Å²	32	78.3 Å²	78.3	16%	0.164	39%	0.39	C	S	.	.	H	α-helix	trans	-60.5	-38.2	172.8	-59.3	178.3	0	0	0	110.3	L844 C845 Y855 L939 V945 I983	I841-L844 PolarHBondContact O-N 3.18Å; I841-C845 PolarHBondContact O-N 3.3Å; I841-C845 VanDerWaalsContact O-N 3.1Å; I841-C845 PolarHBondContact O-SG 3.36Å; I841-Y855 HydrophobicContact CG2-CG 4.38Å; I841-L939 HydrophobicContact CD1-CD1 4.44Å; I841-V945 HydrophobicContact CD1-CG2 4.34Å; I841-I983 HydrophobicContact CD1-CD1 3.82Å; I841-I983 HydrophobicContact CG1-CD1 3.63Å
842	D	80.5	Confident	72.5	Confident	123 Å²	123	85 Å²	85	66%	0.658	43%	0.427	S	S	*	.	H	α-helix	trans	-66.5	-38.4	176.1	-62.9	-20.7	0	0	0	112.6	T840 L844 C845 R846	T840-D842 PolarHBondContact O-N 3.46Å; T840-D842 PolarHBondContact OG1-N 2.87Å; D842-L844 VanDerWaalsContact C-N 3.32Å; D842-L844 PolarHBondContact O-N 3.38Å; D842-C845 PolarHBondContact O-N 2.9Å; D842-R846 WeakPolarHBondContact O-CB 3.39Å; D842-R846 PolarHBondContact O-N 2.96Å
843	E	82	Confident	71.6	Confident	65 Å²	65	83.6 Å²	83.6	30%	0.304	42%	0.421	S	S	.	.	H	α-helix	trans	-61.9	-37.6	172.8	-108.8	74.2	-127.7	0	0	112.2	P839 T840 R846 Q847	P839-E843 HydrophobicContact CB-CB 3.65Å; T840-E843 WeakPolarHBondContact CG2-OE2 3.4Å; T840-E843 PolarHBondContact O-N 2.86Å; T840-E843 WeakPolarHBondContact OG1-CB 3.23Å; T840-E843 PolarHBondContact OG1-N 2.94Å; T840-E843 PolarHBondContact OG1-OE2 3.39Å; E843-R846 IonicContact OE1-CZ 3.6Å; E843-R846 IonicContact OE1-NH1 3.09Å; E843-R846 PolarHBondContact OE1-NH1 3.39Å; E843-R846 IonicContact OE1-NH2 3.73Å; E843-R846 PolarHBondContact OE1-NH2 2.93Å; E843-Q847 WeakPolarHBondContact O-CG 3.39Å; E843-Q847 PolarHBondContact O-N 2.86Å
844	L	78.8	Confident	71.7	Confident	4 Å²	4	79.8 Å²	79.8	2%	0.021	41%	0.409	C	S	.	.	H	α-helix	trans	-67.9	-38.7	175.5	-73.8	177.9	0	0	0	112.3	P839 T840 I841 D842 Q847 H858 L964 V981 I983	P839-L844 HydrophobicContact CB-CD2 4.08Å; P839-L844 HydrophobicContact CB-CG 3.99Å; P839-L844 HydrophobicContact CG-CD1 4.29Å; P839-L844 HydrophobicContact CG-CD2 3.47Å; P839-L844 VanDerWaalsContact CG-CD2 3.47Å; P839-L844 HydrophobicContact CG-CG 3.65Å; T840-L844 PolarHBondContact O-N 3.36Å; T840-L844 VanDerWaalsContact O-N 3.12Å; I841-L844 PolarHBondContact O-N 3.18Å; D842-L844 VanDerWaalsContact C-N 3.32Å; D842-L844 PolarHBondContact O-N 3.38Å; L844-Q847 PolarHBondContact O-N 3.05Å; L844-H858 PolarHBondContact O-ND1 2.89Å; L844-L964 HydrophobicContact CD1-CD2 4.08Å; L844-V981 HydrophobicContact CD1-CG1 4.14Å; L844-I983 HydrophobicContact CD1-CG2 3.62Å
845	C	72	Confident	71.6	Confident	26 Å²	26	80.7 Å²	80.7	18%	0.176	41%	0.407	C	S	.	.	H	α-helix	trans	-61.8	-49.1	175.3	-63.9	0	0	0	0	110.8	I841 D842 Q847 L848 G853 Y855	I841-C845 PolarHBondContact O-N 3.3Å; I841-C845 VanDerWaalsContact O-N 3.1Å; I841-C845 PolarHBondContact O-SG 3.36Å; D842-C845 PolarHBondContact O-N 2.9Å; C845-Q847 PolarHBondContact O-N 3.15Å; C845-Q847 VanDerWaalsContact O-N 3.1Å; C845-L848 PolarHBondContact O-N 3.27Å; C845-G853 WeakPolarHBondContact CA-O 3.46Å; C845-G853 WeakPolarHBondContact CB-O 3.37Å; C845-Y855 PolarHBondContact SG-N 3.03Å
846	R	67.2	Low	71.5	Confident	170 Å²	170	83.1 Å²	83.1	64%	0.642	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	0.6	-178.2	-157.5	-175.9	65.9	-127.5	-5.3	115	D842 E843	D842-R846 WeakPolarHBondContact O-CB 3.39Å; D842-R846 PolarHBondContact O-N 2.96Å; E843-R846 IonicContact OE1-CZ 3.6Å; E843-R846 IonicContact OE1-NH1 3.09Å; E843-R846 PolarHBondContact OE1-NH1 3.39Å; E843-R846 IonicContact OE1-NH2 3.73Å; E843-R846 PolarHBondContact OE1-NH2 2.93Å
847	Q	60.5	Low	71.6	Confident	130 Å²	130	85.1 Å²	85.1	61%	0.607	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	-4.8	174	-81.7	176	14.5	0	0	113.6	E843 L844 C845	E843-Q847 WeakPolarHBondContact O-CG 3.39Å; E843-Q847 PolarHBondContact O-N 2.86Å; L844-Q847 PolarHBondContact O-N 3.05Å; C845-Q847 PolarHBondContact O-N 3.15Å; C845-Q847 VanDerWaalsContact O-N 3.1Å
848	L	55.8	Low	71.8	Confident	68 Å²	68	82.5 Å²	82.5	36%	0.356	42%	0.418	S	S	.	.	S	Bend	trans	-85.9	139.3	167.7	-69.7	158.1	0	0	0	109.3	C845 E850 T857 H858	C845-L848 PolarHBondContact O-N 3.27Å; L848-E850 PolarHBondContact O-N 3.39Å; L848-E850 VanDerWaalsContact O-N 3.12Å; L848-T857 WeakPolarHBondContact CD1-OG1 3.5Å; L848-H858 HydrophobicContact CD1-CB 4.21Å
849	E	53.2	Low	71.9	Confident	209 Å²	209	82 Å²	82	98%	0.977	42%	0.415	S	S	*	.	S	Bend	trans	-75.6	8.5	-179.7	-60.4	-176.1	144.7	0	0	113.4
850	E	52.7	Low	72	Confident	163 Å²	163	83.7 Å²	83.7	76%	0.762	42%	0.42	S	S	*	.	S	Bend	trans	-114.1	122.7	176.9	-64.3	-176.5	161.6	0	0	109.5	L848 D852 G853	L848-E850 PolarHBondContact O-N 3.39Å; L848-E850 VanDerWaalsContact O-N 3.12Å; E850-D852 PolarHBondContact O-N 3.48Å; E850-G853 PolarHBondContact O-N 2.98Å
851	D	48	Very low	72	Confident	183 Å²	183	83.1 Å²	83.1	98%	0.979	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	16.6	-163.1	-145.1	22.3	0	0	0	115.5
852	D	53.6	Low	72.1	Confident	154 Å²	154	85.1 Å²	85.1	82%	0.824	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-142.1	15.2	-173.1	-149.3	14.7	0	0	0	112.7	E850 T854	E850-D852 PolarHBondContact O-N 3.48Å; D852-T854 PolarHBondContact O-N 2.77Å; D852-T854 VanDerWaalsContact O-N 3.16Å
853	G	59.7	Low	72.5	Confident	17 Å²	17	79.5 Å²	79.5	18%	0.175	40%	0.398	C	S	.	.			trans	-71.2	101.5	-172.8	0	0	0	0	0	115.2	C845 E850	C845-G853 WeakPolarHBondContact CA-O 3.46Å; C845-G853 WeakPolarHBondContact CB-O 3.37Å; E850-G853 PolarHBondContact O-N 2.98Å
854	T	78.7	Confident	72.8	Confident	72 Å²	72	82.2 Å²	82.2	44%	0.442	41%	0.411	S	S	.	.			trans	-68.1	152.8	175.4	-30.9	0	0	0	0	112.9	D852 Q856 T857 H858	D852-T854 PolarHBondContact O-N 2.77Å; D852-T854 VanDerWaalsContact O-N 3.16Å; T854-Q856 PolarHBondContact O-N 3.46Å; T854-T857 PolarHBondContact O-N 3.28Å; T854-T857 PolarHBondContact O-OG1 3.33Å; T854-H858 PolarHBondContact O-N 3.14Å
855	Y	78.9	Confident	73.2	Confident	44 Å²	44	85.6 Å²	85.6	17%	0.173	43%	0.432	C	S	.	.	H	α-helix	trans	-51.8	-30.3	176.8	69.8	-93.3	0	0	0	113.9	I841 C845 L859 L939 T943	I841-Y855 HydrophobicContact CG2-CG 4.38Å; C845-Y855 PolarHBondContact SG-N 3.03Å; Y855-L859 HydrophobicContact CD2-CD1 4.12Å; Y855-L859 WeakPolarHBondContact O-CG 3.37Å; Y855-L859 PolarHBondContact O-N 3.4Å; Y855-L939 HydrophobicContact CD2-CD1 4.39Å; Y855-L939 HydrophobicContact CE2-CB 4.16Å; Y855-L939 HydrophobicContact CE2-CD1 4.09Å; Y855-T943 HydrophobicContact CE2-CG2 4.35Å
856	Q	81.7	Confident	74	Confident	92 Å²	92	84.6 Å²	84.6	43%	0.43	42%	0.424	S	S	.	.	H	α-helix	trans	-65.4	-37.5	175.3	-65.7	-174	-27.2	0	0	112.9	T854 L859 E860 D940	T854-Q856 PolarHBondContact O-N 3.46Å; Q856-L859 PolarHBondContact O-N 3.1Å; Q856-E860 VanDerWaalsContact O-CB 3.26Å; Q856-E860 WeakPolarHBondContact O-CB 3.18Å; Q856-E860 PolarHBondContact O-N 2.86Å; Q856-D940 PolarHBondContact NE2-OD2 3.05Å
857	T	83.1	Confident	75	Confident	73 Å²	73	78.1 Å²	78.1	45%	0.448	40%	0.402	S	S	.	.	H	α-helix	trans	-71.8	-36.9	178.4	69.5	0	0	0	0	111.2	L848 T854 E860 G861	L848-T857 WeakPolarHBondContact CD1-OG1 3.5Å; T854-T857 PolarHBondContact O-N 3.28Å; T854-T857 PolarHBondContact O-OG1 3.33Å; T857-E860 PolarHBondContact O-N 3.46Å; T857-G861 PolarHBondContact O-N 3.37Å
858	H	83.8	Confident	76.2	Confident	25 Å²	25	79.4 Å²	79.4	12%	0.116	41%	0.406	C	S	.	.	H	α-helix	trans	-60.9	-47	171.9	-175.4	101	0	0	0	111.9	L844 L848 T854 R862	L844-H858 PolarHBondContact O-ND1 2.89Å; L848-H858 HydrophobicContact CD1-CB 4.21Å; T854-H858 PolarHBondContact O-N 3.14Å; H858-R862 PolarHBondContact NE2-NE 2.95Å; H858-R862 WeakPolarHBondContact O-CB 3.39Å; H858-R862 PolarHBondContact O-N 3.43Å
859	L	85.7	Confident	77.5	Confident	2 Å²	2	77.4 Å²	77.4	1%	0.01	40%	0.395	C	S	.	.	H	α-helix	trans	-66.8	-40.7	178.7	-72.9	168.7	0	0	0	112.5	Y855 Q856 R862 L863 T943 L964 V979	Y855-L859 HydrophobicContact CD2-CD1 4.12Å; Y855-L859 WeakPolarHBondContact O-CG 3.37Å; Y855-L859 PolarHBondContact O-N 3.4Å; Q856-L859 PolarHBondContact O-N 3.1Å; L859-R862 PolarHBondContact O-N 3.14Å; L859-L863 WeakPolarHBondContact O-CB 3.03Å; L859-L863 PolarHBondContact O-N 3.44Å; L859-T943 HydrophobicContact CD1-CG2 3.73Å; L859-L964 HydrophobicContact CD1-CD1 4.37Å; L859-L964 HydrophobicContact CD1-CD2 4.07Å; L859-L964 HydrophobicContact CD1-CG 4.15Å; L859-L964 HydrophobicContact CD2-CD2 4.26Å; L859-L964 HydrophobicContact CD2-CG 4.28Å; L859-L964 HydrophobicContact CG-CD2 4.38Å; L859-V979 HydrophobicContact CD2-CG2 4.44Å
860	E	86.1	Confident	78.9	Confident	63 Å²	63	67.9 Å²	67.9	29%	0.294	35%	0.352	S	S	.	.	H	α-helix	trans	-70.3	-38.3	177.9	-167.6	57.9	-134.9	0	0	111.4	Q856 T857 L863 Q864 R968	Q856-E860 VanDerWaalsContact O-CB 3.26Å; Q856-E860 WeakPolarHBondContact O-CB 3.18Å; Q856-E860 PolarHBondContact O-N 2.86Å; T857-E860 PolarHBondContact O-N 3.46Å; E860-L863 WeakPolarHBondContact O-CB 3.4Å; E860-L863 PolarHBondContact O-N 3.37Å; E860-Q864 WeakPolarHBondContact O-CG 3.16Å; E860-Q864 PolarHBondContact O-N 2.81Å; E860-R968 IonicContact OE2-CZ 3.29Å; E860-R968 IonicContact OE2-NE 3.21Å; E860-R968 PolarHBondContact OE2-NE 3.08Å; E860-R968 IonicContact OE2-NH2 3.29Å; E860-R968 PolarHBondContact OE2-NH2 2.98Å
861	G	86.3	Confident	80.1	Confident	31 Å²	31	66.4 Å²	66.4	32%	0.32	34%	0.339	S	S	.	.	H	α-helix	trans	-63	-41.1	171.1	0	0	0	0	0	113	T857 T865	T857-G861 PolarHBondContact O-N 3.37Å; G861-T865 WeakPolarHBondContact O-CB 3.38Å; G861-T865 PolarHBondContact O-N 2.82Å; G861-T865 PolarHBondContact O-OG1 2.73Å
862	R	86.1	Confident	81.6	Confident	73 Å²	73	60.9 Å²	60.9	28%	0.275	31%	0.308	S	S	.	.	H	α-helix	trans	-60.3	-44.7	169.4	-86.8	-174.2	164.8	-118.1	-3.6	111.6	H858 L859 T865 F866 L999	H858-R862 PolarHBondContact NE2-NE 2.95Å; H858-R862 WeakPolarHBondContact O-CB 3.39Å; H858-R862 PolarHBondContact O-N 3.43Å; L859-R862 PolarHBondContact O-N 3.14Å; R862-T865 PolarHBondContact O-N 3.34Å; R862-F866 WeakPolarHBondContact O-CB 3.27Å; R862-F866 PolarHBondContact O-N 3.29Å; R862-L999 PolarHBondContact NH1-O 3.18Å; R862-L999 PolarHBondContact NH2-O 2.84Å; R862-L999 VanDerWaalsContact NH2-O 3.13Å
863	L	88.9	Confident	81.9	Confident	5 Å²	5	62.4 Å²	62.4	3%	0.026	31%	0.307	C	S	.	.	H	α-helix	trans	-62.4	-46.3	178.5	179.2	66.3	0	0	0	111.9	L859 E860 T865 F866 L867 R968 S977 V979	L859-L863 WeakPolarHBondContact O-CB 3.03Å; L859-L863 PolarHBondContact O-N 3.44Å; E860-L863 WeakPolarHBondContact O-CB 3.4Å; E860-L863 PolarHBondContact O-N 3.37Å; L863-T865 VanDerWaalsContact C-N 3.34Å; L863-T865 PolarHBondContact O-N 3.07Å; L863-F866 HydrophobicContact CD1-CD1 4.4Å; L863-F866 PolarHBondContact O-N 3.03Å; L863-L867 HydrophobicContact CD1-CD1 4.11Å; L863-L867 HydrophobicContact CD1-CG 4.17Å; L863-L867 HydrophobicContact CG-CD1 3.97Å; L863-L867 HydrophobicContact CG-CG 4.41Å; L863-L867 WeakPolarHBondContact O-CB 3.37Å; L863-L867 VanDerWaalsContact O-CG 3.29Å; L863-L867 WeakPolarHBondContact O-CG 3.41Å; L863-L867 PolarHBondContact O-N 3.07Å; L863-R968 HydrophobicContact CD2-CG 3.52Å; L863-S977 VanDerWaalsContact CD1-OG 3.25Å; L863-S977 WeakPolarHBondContact CD1-OG 3.49Å; L863-V979 HydrophobicContact CB-CG1 4.34Å; L863-V979 HydrophobicContact CD1-CG1 3.82Å
864	Q	88.2	Confident	82	Confident	122 Å²	122	65.7 Å²	65.7	57%	0.57	33%	0.327	S	S	*	.	H	α-helix	trans	-63	-40.7	177.1	-70.2	177.6	27.7	0	0	111.9	E860 L867 K868	E860-Q864 WeakPolarHBondContact O-CG 3.16Å; E860-Q864 PolarHBondContact O-N 2.81Å; Q864-L867 PolarHBondContact O-N 3.11Å; Q864-K868 WeakPolarHBondContact O-CB 3.43Å; Q864-K868 PolarHBondContact O-N 3.24Å
865	T	87.3	Confident	81.4	Confident	76 Å²	76	71 Å²	71	47%	0.466	34%	0.344	S	S	.	.	H	α-helix	trans	-62.9	-46	174.6	-57.5	0	0	0	0	111.3	G861 R862 L863 K868 E869	G861-T865 WeakPolarHBondContact O-CB 3.38Å; G861-T865 PolarHBondContact O-N 2.82Å; G861-T865 PolarHBondContact O-OG1 2.73Å; R862-T865 PolarHBondContact O-N 3.34Å; L863-T865 VanDerWaalsContact C-N 3.34Å; L863-T865 PolarHBondContact O-N 3.07Å; T865-K868 WeakPolarHBondContact O-CB 3.16Å; T865-K868 PolarHBondContact O-N 2.99Å; T865-E869 PolarHBondContact O-N 3.23Å
866	F	89	Confident	81.3	Confident	4 Å²	4	76.1 Å²	76.1	2%	0.018	36%	0.364	C	S	.	.	H	α-helix	trans	-61.6	-45.9	176.2	169.1	-115.9	0	0	0	112.6	R862 L863 K868 E869 A870 S977 V979 N1002 L1004 I1018	R862-F866 WeakPolarHBondContact O-CB 3.27Å; R862-F866 PolarHBondContact O-N 3.29Å; L863-F866 HydrophobicContact CD1-CD1 4.4Å; L863-F866 PolarHBondContact O-N 3.03Å; F866-K868 PolarHBondContact O-N 2.83Å; F866-E869 PolarHBondContact O-N 3.14Å; F866-A870 WeakPolarHBondContact O-CB 3.36Å; F866-A870 PolarHBondContact O-N 2.62Å; F866-S977 WeakPolarHBondContact CE1-OG 3.39Å; F866-V979 HydrophobicContact CD1-CG1 4.19Å; F866-N1002 HydrophobicContact CD1-CB 4.08Å; F866-N1002 HydrophobicContact CD2-CB 3.47Å; F866-N1002 VanDerWaalsContact CD2-CB 3.47Å; F866-N1002 HydrophobicContact CE1-CB 4.01Å; F866-N1002 HydrophobicContact CE2-CB 3.4Å; F866-N1002 HydrophobicContact CG-CB 3.82Å; F866-N1002 HydrophobicContact CZ-CB 3.67Å; F866-L1004 HydrophobicContact CE1-CB 3.75Å; F866-L1004 HydrophobicContact CZ-CB 3.61Å; F866-I1018 HydrophobicContact CD2-CD1 4.15Å; F866-I1018 HydrophobicContact CE2-CB 3.98Å; F866-I1018 HydrophobicContact CE2-CD1 3.79Å; F866-I1018 HydrophobicContact CE2-CG1 3.9Å
867	L	87.9	Confident	81.5	Confident	35 Å²	35	72.5 Å²	72.5	18%	0.183	35%	0.347	C	S	.	.	H	α-helix	trans	-65.2	-27.9	177.7	-70.8	174.2	0	0	0	112.6	L863 Q864 R871 L971 L1004	L863-L867 HydrophobicContact CD1-CD1 4.11Å; L863-L867 HydrophobicContact CD1-CG 4.17Å; L863-L867 HydrophobicContact CG-CD1 3.97Å; L863-L867 HydrophobicContact CG-CG 4.41Å; L863-L867 WeakPolarHBondContact O-CB 3.37Å; L863-L867 VanDerWaalsContact O-CG 3.29Å; L863-L867 WeakPolarHBondContact O-CG 3.41Å; L863-L867 PolarHBondContact O-N 3.07Å; Q864-L867 PolarHBondContact O-N 3.11Å; L867-R871 VanDerWaalsContact O-CG 3.31Å; L867-R871 WeakPolarHBondContact O-CG 3.47Å; L867-L971 HydrophobicContact CD1-CD1 4.4Å; L867-L971 HydrophobicContact CD1-CD2 4.3Å; L867-L971 HydrophobicContact CD2-CD1 4.29Å; L867-L1004 HydrophobicContact CD2-CD1 3.83Å
868	K	85.8	Confident	81.8	Confident	156 Å²	156	72 Å²	72	68%	0.678	34%	0.343	S	S	*	.	H	α-helix	trans	-72.5	-49.5	170.3	-177.2	-177.4	176.1	-174.4	0	111.3	Q864 T865 F866 R871 E872	Q864-K868 WeakPolarHBondContact O-CB 3.43Å; Q864-K868 PolarHBondContact O-N 3.24Å; T865-K868 WeakPolarHBondContact O-CB 3.16Å; T865-K868 PolarHBondContact O-N 2.99Å; F866-K868 PolarHBondContact O-N 2.83Å; K868-R871 PolarHBondContact O-N 3.05Å; K868-E872 PolarHBondContact O-N 3.14Å
869	E	83.3	Confident	82	Confident	27 Å²	27	74.8 Å²	74.8	13%	0.126	37%	0.366	C	S	.	.	H	α-helix	trans	-65.3	-37.6	179.4	-78.2	-157.8	-124.5	0	0	113.6	T865 F866 R871 E872 K891 R901	T865-E869 PolarHBondContact O-N 3.23Å; F866-E869 PolarHBondContact O-N 3.14Å; E869-R871 PolarHBondContact O-N 3.21Å; E869-E872 WeakPolarHBondContact O-CB 3.25Å; E869-E872 PolarHBondContact O-N 3.39Å; E869-K891 IonicContact OE2-NZ 2.79Å; E869-K891 PolarHBondContact OE2-NZ 2.72Å; E869-R901 IonicContact OE1-CZ 3.33Å; E869-R901 IonicContact OE1-NH1 2.66Å; E869-R901 PolarHBondContact OE1-NH1 2.85Å; E869-R901 IonicContact OE1-NH2 3.67Å; E869-R901 IonicContact OE2-CZ 2.67Å; E869-R901 IonicContact OE2-NH1 3.04Å; E869-R901 PolarHBondContact OE2-NH1 3.13Å
870	A	81.9	Confident	82	Confident	9 Å²	9	76.7 Å²	76.7	7%	0.074	38%	0.379	C	S	.	.	H	α-helix	trans	-60.1	-29.6	176	0	0	0	0	0	112.2	F866 R903 L1004	F866-A870 WeakPolarHBondContact O-CB 3.36Å; F866-A870 PolarHBondContact O-N 2.62Å; A870-R903 PolarHBondContact O-NH1 3.05Å; A870-R903 PolarHBondContact O-NH2 3.49Å; A870-L1004 HydrophobicContact CB-CD2 3.61Å
871	R	79.1	Confident	81.7	Confident	132 Å²	132	78.9 Å²	78.9	50%	0.498	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-3.8	177	-62.4	-177.4	-167.7	-58.5	-3.6	114	L867 K868 E869 K873 E1006	L867-R871 VanDerWaalsContact O-CG 3.31Å; L867-R871 WeakPolarHBondContact O-CG 3.47Å; K868-R871 PolarHBondContact O-N 3.05Å; E869-R871 PolarHBondContact O-N 3.21Å; R871-K873 PolarHBondContact O-N 2.83Å; R871-E1006 IonicContact CZ-OE1 3.17Å; R871-E1006 IonicContact NH1-OE1 2.73Å; R871-E1006 PolarHBondContact NH1-OE1 3.37Å; R871-E1006 IonicContact NH1-OE2 3.09Å; R871-E1006 IonicContact NH2-OE1 2.72Å; R871-E1006 PolarHBondContact NH2-OE1 3.26Å
872	E	77.7	Confident	81.2	Confident	67 Å²	67	79.1 Å²	79.1	31%	0.313	40%	0.398	S	S	.	.	S	Bend	trans	-63	134.9	172.3	-76.4	-171.7	150.4	0	0	110.8	K868 E869 K891	K868-E872 PolarHBondContact O-N 3.14Å; E869-E872 WeakPolarHBondContact O-CB 3.25Å; E869-E872 PolarHBondContact O-N 3.39Å; E872-K891 IonicContact OE2-NZ 2.67Å; E872-K891 PolarHBondContact OE2-NZ 3.41Å
873	K	59.8	Low	80.6	Confident	186 Å²	186	78.6 Å²	78.6	81%	0.809	41%	0.405	S	S	*	.			trans	-69.7	148.3	175.5	-64.3	-178.7	-179.5	178.7	0	110	R871 K875	R871-K873 PolarHBondContact O-N 2.83Å; K873-K875 PolarHBondContact O-N 3.32Å
874	S	62	Low	79.7	Confident	86 Å²	86	83 Å²	83	60%	0.601	43%	0.429	S	S	*	.	G	3₁₀ helix	trans	-57.3	2.1	-167.8	52.6	0	0	0	0	118.2	Y876 W877	S874-Y876 PolarHBondContact O-N 3.17Å; S874-Y876 VanDerWaalsContact O-N 3.12Å; S874-W877 PolarHBondContact O-N 2.89Å; S874-W877 VanDerWaalsContact O-N 3.14Å
875	K	66.1	Low	79.4	Confident	183 Å²	183	84.8 Å²	84.8	80%	0.796	44%	0.442	S	S	*	.	G	3₁₀ helix	trans	-61.9	-21.1	-177.6	-165.5	178.2	178.8	-173.5	0	114.2	K873	K873-K875 PolarHBondContact O-N 3.32Å
876	Y	77.3	Confident	79.4	Confident	151 Å²	151	82 Å²	82	59%	0.592	43%	0.425	S	S	*	.	G	3₁₀ helix	trans	-108.4	6	179.6	-59	-78.9	0	0	0	113.9	S874	S874-Y876 PolarHBondContact O-N 3.17Å; S874-Y876 VanDerWaalsContact O-N 3.12Å
877	W	86.9	Confident	79.6	Confident	17 Å²	17	85.2 Å²	85.2	6%	0.064	44%	0.44	C	S	.	.			trans	-120.5	120.3	-176	-73.1	98.6	0	0	0	109.9	S874 Y889 K891 R901 R903 I1018	S874-W877 PolarHBondContact O-N 2.89Å; S874-W877 VanDerWaalsContact O-N 3.14Å; W877-Y889 HydrophobicContact CB-CD1 4.21Å; W877-Y889 HydrophobicContact CB-CG 4.43Å; W877-K891 HydrophobicContact CD2-CB 4.02Å; W877-K891 HydrophobicContact CD2-CD 4.3Å; W877-K891 HydrophobicContact CE3-CB 3.64Å; W877-K891 HydrophobicContact CH2-CB 3.93Å; W877-K891 HydrophobicContact CH2-CD 4.2Å; W877-K891 HydrophobicContact CZ2-CB 4.28Å; W877-K891 HydrophobicContact CZ2-CD 3.79Å; W877-K891 HydrophobicContact CZ3-CB 3.58Å; W877-R901 HydrophobicContact CH2-CG 3.93Å; W877-R901 HydrophobicContact CZ3-CG 4.45Å; W877-R903 HydrophobicContact CD2-CB 4.49Å; W877-R903 HydrophobicContact CE3-CB 3.84Å; W877-R903 HydrophobicContact CH2-CB 3.67Å; W877-R903 HydrophobicContact CZ2-CB 4.34Å; W877-R903 HydrophobicContact CZ3-CB 3.39Å; W877-I1018 HydrophobicContact CH2-CD1 4.31Å; W877-I1018 HydrophobicContact CH2-CG2 4.46Å; W877-I1018 HydrophobicContact CZ2-CD1 4.23Å
878	V	88.8	Confident	79.8	Confident	62 Å²	62	83.7 Å²	83.7	38%	0.376	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	124.5	178.3	-175.2	0	0	0	0	109.1	Y889 Y890	V878-Y889 CarbonylContact O-C 3.6Å; V878-Y889 WeakPolarHBondContact O-CA 3.35Å; V878-Y890 HydrophobicContact CB-CD1 4.19Å; V878-Y890 HydrophobicContact CB-CD2 4.32Å; V878-Y890 HydrophobicContact CB-CE1 3.75Å; V878-Y890 HydrophobicContact CB-CE2 3.89Å; V878-Y890 HydrophobicContact CB-CG 4.46Å; V878-Y890 HydrophobicContact CG1-CE1 3.72Å; V878-Y890 HydrophobicContact CG1-CE2 4.41Å; V878-Y890 HydrophobicContact CG2-CE2 4.05Å; V878-Y890 PolarHBondContact N-O 2.98Å; V878-Y890 PolarHBondContact O-N 3.34Å
879	S	87.9	Confident	80.2	Confident	84 Å²	84	79.2 Å²	79.2	59%	0.587	41%	0.411	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.5	138.9	179.8	55.4	0	0	0	0	112.8	L888	S879-L888 WeakPolarHBondContact CA-O 3.41Å
880	C	84.8	Confident	80.6	Confident	42 Å²	42	79.4 Å²	79.4	28%	0.284	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	154.7	170.1	-71	0	0	0	0	111.6	L888 Y890	C880-L888 HydrophobicContact CB-CB 4.3Å; C880-L888 HydrophobicContact CB-CD2 3.78Å; C880-L888 HydrophobicContact CB-CG 3.9Å; C880-L888 PolarHBondContact N-O 3.16Å; C880-Y890 VanDerWaalsContact SG-CD1 3.57Å
881	S	80.6	Confident	81	Confident	108 Å²	108	80.8 Å²	80.8	76%	0.755	42%	0.415	S	S	*	.			trans	-73.2	124	164.7	52.7	0	0	0	0	109.9	H1037	S881-H1037 PolarHBondContact O-CE1 3.07Å
882	S	76.8	Confident	81.3	Confident	37 Å²	37	78.1 Å²	78.1	26%	0.259	41%	0.408	S	S	.	.			trans	-126.1	165.6	176	-162.1	0	0	0	0	111.3	T886 A1040	S882-T886 VanDerWaalsContact CB-OG1 3.22Å; S882-T886 WeakPolarHBondContact CB-OG1 3.33Å; S882-T886 PolarHBondContact OG-OG1 3.22Å; S882-A1040 WeakPolarHBondContact OG-CB 3.46Å
883	S	72.4	Confident	81.6	Confident	62 Å²	62	77.2 Å²	77.2	43%	0.434	41%	0.406	S	S	.	.	S	Bend	trans	-86.1	177.3	173.8	58.6	0	0	0	0	112.1	N885 T886	S883-N885 VanDerWaalsContact C-N 3.3Å; S883-N885 PolarHBondContact O-N 3.19Å; S883-N885 VanDerWaalsContact O-N 3.08Å; S883-T886 PolarHBondContact O-N 3.19Å; S883-T886 VanDerWaalsContact O-N 3.11Å; S883-T886 PolarHBondContact O-OG1 3.27Å
884	D	69.4	Low	82.3	Confident	97 Å²	97	71.3 Å²	71.3	52%	0.519	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	55	36.4	160.6	-45.4	-41.5	0	0	0	115.8	T886 R1047	D884-T886 VanDerWaalsContact C-N 3.26Å; D884-T886 PolarHBondContact O-N 3.42Å; D884-R1047 PolarHBondContact O-NH1 2.9Å; D884-R1047 PolarHBondContact O-NH2 2.96Å
885	N	81.8	Confident	83.1	Confident	160 Å²	160	71.4 Å²	71.4	86%	0.856	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.4	39.2	-179.5	-58.2	-27.2	0	0	0	113.1	S883	S883-N885 VanDerWaalsContact C-N 3.3Å; S883-N885 PolarHBondContact O-N 3.19Å; S883-N885 VanDerWaalsContact O-N 3.08Å
886	T	89.3	Confident	83.4	Confident	16 Å²	16	64.7 Å²	64.7	10%	0.098	38%	0.375	C	S	.	.			trans	-101.4	133.3	176.7	63.6	0	0	0	0	111.3	S882 S883 D884 V906 A1044	S882-T886 VanDerWaalsContact CB-OG1 3.22Å; S882-T886 WeakPolarHBondContact CB-OG1 3.33Å; S882-T886 PolarHBondContact OG-OG1 3.22Å; S883-T886 PolarHBondContact O-N 3.19Å; S883-T886 VanDerWaalsContact O-N 3.11Å; S883-T886 PolarHBondContact O-OG1 3.27Å; D884-T886 VanDerWaalsContact C-N 3.26Å; D884-T886 PolarHBondContact O-N 3.42Å; T886-V906 HydrophobicContact CG2-CG1 3.61Å; T886-A1044 HydrophobicContact CG2-CB 4.17Å
887	E	91.9	Very high	83.7	Confident	72 Å²	72	59 Å²	59	34%	0.336	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	111.1	175.3	-62.1	171.2	-165.4	0	0	108.9	Y889 V904 S905 R1014	E887-Y889 HydrophobicContact CB-CE2 3.96Å; E887-V904 CarbonylContact O-C 3.59Å; E887-V904 VanDerWaalsContact O-CA 3.31Å; E887-V904 WeakPolarHBondContact O-CA 3.33Å; E887-S905 PolarHBondContact N-O 3.02Å; E887-S905 PolarHBondContact O-N 3.31Å; E887-R1014 IonicContact OE1-CZ 2.77Å; E887-R1014 IonicContact OE1-NH1 2.7Å; E887-R1014 PolarHBondContact OE1-NH1 2.98Å; E887-R1014 IonicContact OE1-NH2 3.98Å; E887-R1014 PolarHBondContact OE1-NH2 3.16Å; E887-R1014 IonicContact OE2-NH1 3.71Å; E887-R1014 PolarHBondContact OE2-NH1 3.44Å
888	L	93.3	Very high	83.5	Confident	3 Å²	3	59.2 Å²	59.2	2%	0.016	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	130.8	-175.2	-179.8	62.9	0	0	0	111.9	S879 C880 W902 V904 G1036	S879-L888 WeakPolarHBondContact CA-O 3.41Å; C880-L888 HydrophobicContact CB-CB 4.3Å; C880-L888 HydrophobicContact CB-CD2 3.78Å; C880-L888 HydrophobicContact CB-CG 3.9Å; C880-L888 PolarHBondContact N-O 3.16Å; L888-W902 HydrophobicContact CD1-CE3 3.79Å; L888-W902 HydrophobicContact CD1-CZ3 4.17Å; L888-W902 HydrophobicContact CD2-CZ3 4.28Å; L888-W902 HydrophobicContact CG-CE3 4.3Å; L888-W902 HydrophobicContact CG-CZ3 4.21Å; L888-V904 HydrophobicContact CD1-CG2 3.8Å; L888-G1036 VanDerWaalsContact CD1-O 3.28Å; L888-G1036 WeakPolarHBondContact CD1-O 3.43Å
889	Y	92.7	Very high	83.6	Confident	63 Å²	63	56.5 Å²	56.5	25%	0.247	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	157.1	178.5	-55.1	-91.8	0	0	0	112.5	W877 V878 E887 W902 R903	W877-Y889 HydrophobicContact CB-CD1 4.21Å; W877-Y889 HydrophobicContact CB-CG 4.43Å; V878-Y889 CarbonylContact O-C 3.6Å; V878-Y889 WeakPolarHBondContact O-CA 3.35Å; E887-Y889 HydrophobicContact CB-CE2 3.96Å; Y889-W902 WeakPolarHBondContact O-CA 3.39Å; Y889-R903 PolarHBondContact N-O 3.29Å; Y889-R903 PolarHBondContact O-N 3.08Å
890	Y	92.6	Very high	83.7	Confident	30 Å²	30	53 Å²	53	12%	0.118	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	156.8	166.8	69.4	-93.1	0	0	0	113.4	V878 C880 R900 R901 W902	V878-Y890 HydrophobicContact CB-CD1 4.19Å; V878-Y890 HydrophobicContact CB-CD2 4.32Å; V878-Y890 HydrophobicContact CB-CE1 3.75Å; V878-Y890 HydrophobicContact CB-CE2 3.89Å; V878-Y890 HydrophobicContact CB-CG 4.46Å; V878-Y890 HydrophobicContact CG1-CE1 3.72Å; V878-Y890 HydrophobicContact CG1-CE2 4.41Å; V878-Y890 HydrophobicContact CG2-CE2 4.05Å; V878-Y890 PolarHBondContact N-O 2.98Å; V878-Y890 PolarHBondContact O-N 3.34Å; C880-Y890 VanDerWaalsContact SG-CD1 3.57Å; Y890-R900 VanDerWaalsContact CZ-NH1 3.31Å; Y890-R901 CarbonylContact C-O 3.53Å; Y890-R901 WeakPolarHBondContact CA-O 3.3Å; Y890-W902 HydrophobicContact CD1-CH2 4.19Å; Y890-W902 HydrophobicContact CD1-CZ3 4.03Å; Y890-W902 HydrophobicContact CG-CZ3 4.4Å
891	K	90	Very high	84.1	Confident	38 Å²	38	53 Å²	53	17%	0.165	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	128.5	175.3	-178.6	171.2	176.5	-178.2	0	107.5	E869 E872 W877 R901	E869-K891 IonicContact OE2-NZ 2.79Å; E869-K891 PolarHBondContact OE2-NZ 2.72Å; E872-K891 IonicContact OE2-NZ 2.67Å; E872-K891 PolarHBondContact OE2-NZ 3.41Å; W877-K891 HydrophobicContact CD2-CB 4.02Å; W877-K891 HydrophobicContact CD2-CD 4.3Å; W877-K891 HydrophobicContact CE3-CB 3.64Å; W877-K891 HydrophobicContact CH2-CB 3.93Å; W877-K891 HydrophobicContact CH2-CD 4.2Å; W877-K891 HydrophobicContact CZ2-CB 4.28Å; W877-K891 HydrophobicContact CZ2-CD 3.79Å; W877-K891 HydrophobicContact CZ3-CB 3.58Å; K891-R901 PolarHBondContact N-O 2.83Å; K891-R901 PolarHBondContact O-N 3.25Å
892	K	86.2	Confident	84.7	Confident	77 Å²	77	48.1 Å²	48.1	34%	0.335	28%	0.275	S	S	.	.			trans	-75	149.2	170.1	-69.7	-174.7	178.6	179.1	0	109.2	E80 E84	E80-K892 PolarHBondContact O-NZ 2.94Å; E84-K892 WeakPolarHBondContact OE1-CE 3.34Å; E84-K892 IonicContact OE1-NZ 3.84Å; E84-K892 PolarHBondContact OE1-NZ 2.84Å; E84-K892 IonicContact OE2-NZ 3.44Å
893	V	83.1	Confident	85.6	Confident	47 Å²	47	48.1 Å²	48.1	29%	0.285	27%	0.269	S	S	.	.			trans	-117.4	136.8	177.4	-168.9	0	0	0	0	108	D895 R901	V893-D895 VanDerWaalsContact C-N 3.28Å; V893-D895 HydrophobicContact CG1-CB 3.98Å; V893-D895 WeakPolarHBondContact CG1-OD1 3.25Å; V893-D895 PolarHBondContact O-N 3.31Å; V893-R901 HydrophobicContact CG2-CB 4.02Å
894	G	74.6	Confident	86.6	Confident	63 Å²	63	45.2 Å²	45.2	65%	0.649	25%	0.249	S	C	*	.	S	Bend	trans	-91.3	33.3	-176.4	0	0	0	0	0	113.9
895	D	78.1	Confident	87.8	Confident	88 Å²	88	40.7 Å²	40.7	47%	0.471	23%	0.225	S	C	.	.	S	Bend	trans	-103.3	15.8	-171	67	-21.4	0	0	0	113.7	V893 N897 R1020	V893-D895 VanDerWaalsContact C-N 3.28Å; V893-D895 HydrophobicContact CG1-CB 3.98Å; V893-D895 WeakPolarHBondContact CG1-OD1 3.25Å; V893-D895 PolarHBondContact O-N 3.31Å; D895-N897 PolarHBondContact O-N 2.8Å; D895-N897 VanDerWaalsContact O-N 3.14Å; D895-N897 PolarHBondContact OD1-N 3.14Å; D895-R1020 IonicContact OD1-CZ 3.62Å; D895-R1020 IonicContact OD1-NH1 3.83Å; D895-R1020 IonicContact OD1-NH2 2.8Å; D895-R1020 PolarHBondContact OD1-NH2 3.11Å; D895-R1020 IonicContact OD2-CZ 2.71Å; D895-R1020 IonicContact OD2-NH1 3.97Å; D895-R1020 PolarHBondContact OD2-NH1 3.45Å; D895-R1020 IonicContact OD2-NH2 2.69Å; D895-R1020 PolarHBondContact OD2-NH2 3.07Å
896	G	73.1	Confident	88.4	Confident	42 Å²	42	33.2 Å²	33.2	43%	0.433	19%	0.185	S	C	.	.	S	Bend	trans	74	-7.5	-177.8	0	0	0	0	0	115	F88	F88-G896 WeakPolarHBondContact CZ-O 3.49Å
897	N	82.5	Confident	88.7	Confident	30 Å²	30	36.2 Å²	36.2	16%	0.16	20%	0.198	C	C	.	.			trans	-90.4	125.7	177	-179.6	-45.2	0	0	0	110.5	D895 L899 R1020	D895-N897 PolarHBondContact O-N 2.8Å; D895-N897 VanDerWaalsContact O-N 3.14Å; D895-N897 PolarHBondContact OD1-N 3.14Å; N897-L899 PolarHBondContact O-N 2.8Å; N897-L899 VanDerWaalsContact O-N 3.08Å; N897-L899 VanDerWaalsContact OD1-CB 3.28Å; N897-L899 WeakPolarHBondContact OD1-CB 3.27Å; N897-L899 VanDerWaalsContact OD1-CG 3.29Å; N897-L899 WeakPolarHBondContact OD1-CG 3.07Å; N897-L899 PolarHBondContact OD1-N 3.48Å; N897-R1020 PolarHBondContact O-NH2 3.22Å
898	P	84.1	Confident	88.8	Confident	23 Å²	23	32.8 Å²	32.8	15%	0.149	18%	0.182	C	C	.	.			trans	-70.8	-5	-172.3	30.3	-37.6	0	0	0	115	A558 P1028	A558-P898 HydrophobicContact CB-CG 4.33Å; P898-P1028 HydrophobicContact CB-CB 4.04Å; P898-P1028 HydrophobicContact CB-CG 3.8Å; P898-P1028 HydrophobicContact CG-CG 3.96Å
899	L	90.2	Very high	88.9	Confident	4 Å²	4	37.5 Å²	37.5	2%	0.021	20%	0.204	C	C	.	.	P	Polyproline II helix	trans	-78.2	123.1	-179.5	-61.8	173	0	0	0	111.7	A558 L836 N897 L999 R1020 D1022 Y1031	A558-L899 HydrophobicContact CB-CD2 3.75Å; A558-L899 HydrophobicContact CB-CG 4.21Å; L836-L899 HydrophobicContact CD1-CD1 4.33Å; N897-L899 PolarHBondContact O-N 2.8Å; N897-L899 VanDerWaalsContact O-N 3.08Å; N897-L899 VanDerWaalsContact OD1-CB 3.28Å; N897-L899 WeakPolarHBondContact OD1-CB 3.27Å; N897-L899 VanDerWaalsContact OD1-CG 3.29Å; N897-L899 WeakPolarHBondContact OD1-CG 3.07Å; N897-L899 PolarHBondContact OD1-N 3.48Å; L899-L999 HydrophobicContact CD1-CD1 4.23Å; L899-R1020 HydrophobicContact CB-CG 4.25Å; L899-R1020 VanDerWaalsContact O-CZ 3.3Å; L899-R1020 PolarHBondContact O-NE 2.88Å; L899-R1020 PolarHBondContact O-NH2 3.34Å; L899-D1022 HydrophobicContact CD1-CB 3.72Å; L899-Y1031 HydrophobicContact CD2-CD1 3.77Å; L899-Y1031 HydrophobicContact CD2-CD2 3.29Å; L899-Y1031 HydrophobicContact CD2-CE1 4.04Å; L899-Y1031 HydrophobicContact CD2-CE2 3.55Å; L899-Y1031 HydrophobicContact CD2-CG 3.41Å; L899-Y1031 VanDerWaalsContact CD2-CG 3.41Å
900	R	90.6	Very high	88.9	Confident	11 Å²	11	34.9 Å²	34.9	4%	0.042	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-68.8	144.3	170.5	-59.2	-177.4	-172.8	-167.4	3.8	110.7	D81 Y890 W902 N1032	D81-R900 IonicContact OD1-CZ 3.58Å; D81-R900 IonicContact OD1-NH1 2.88Å; D81-R900 PolarHBondContact OD1-NH1 2.93Å; D81-R900 IonicContact OD1-NH2 2.67Å; D81-R900 PolarHBondContact OD1-NH2 3.49Å; Y890-R900 VanDerWaalsContact CZ-NH1 3.31Å; R900-W902 VanDerWaalsContact O-CD1 3.31Å; R900-N1032 VanDerWaalsContact CD-OD1 3.24Å; R900-N1032 WeakPolarHBondContact CD-OD1 3.36Å; R900-N1032 WeakPolarHBondContact CG-OD1 3.36Å; R900-N1032 PolarHBondContact NE-OD1 2.63Å
901	R	92.2	Very high	89	Confident	41 Å²	41	36.2 Å²	36.2	16%	0.155	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	129.8	165.3	176.6	-175.9	-85.4	161.8	-7.3	108.1	E869 W877 Y890 K891 V893 E1000 I1018	E869-R901 IonicContact OE1-CZ 3.33Å; E869-R901 IonicContact OE1-NH1 2.66Å; E869-R901 PolarHBondContact OE1-NH1 2.85Å; E869-R901 IonicContact OE1-NH2 3.67Å; E869-R901 IonicContact OE2-CZ 2.67Å; E869-R901 IonicContact OE2-NH1 3.04Å; E869-R901 PolarHBondContact OE2-NH1 3.13Å; W877-R901 HydrophobicContact CH2-CG 3.93Å; W877-R901 HydrophobicContact CZ3-CG 4.45Å; Y890-R901 CarbonylContact C-O 3.53Å; Y890-R901 WeakPolarHBondContact CA-O 3.3Å; K891-R901 PolarHBondContact N-O 2.83Å; K891-R901 PolarHBondContact O-N 3.25Å; V893-R901 HydrophobicContact CG2-CB 4.02Å; R901-E1000 IonicContact CZ-OE1 2.66Å; R901-E1000 IonicContact CZ-OE2 2.66Å; R901-E1000 IonicContact NE-OE1 3.88Å; R901-E1000 IonicContact NE-OE2 2.85Å; R901-E1000 PolarHBondContact NE-OE2 2.87Å; R901-E1000 IonicContact NH2-OE1 3.67Å; R901-E1000 IonicContact NH2-OE2 2.71Å; R901-E1000 PolarHBondContact NH2-OE2 2.94Å; R901-I1018 HydrophobicContact CG-CG2 3.67Å
902	W	94.4	Very high	89.3	Confident	6 Å²	6	35 Å²	35	2%	0.023	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	148.1	179.5	-68.6	88.9	0	0	0	110.8	L888 Y889 Y890 R900 I1018 C1019 Y1031 F1035 G1036	L888-W902 HydrophobicContact CD1-CE3 3.79Å; L888-W902 HydrophobicContact CD1-CZ3 4.17Å; L888-W902 HydrophobicContact CD2-CZ3 4.28Å; L888-W902 HydrophobicContact CG-CE3 4.3Å; L888-W902 HydrophobicContact CG-CZ3 4.21Å; Y889-W902 WeakPolarHBondContact O-CA 3.39Å; Y890-W902 HydrophobicContact CD1-CH2 4.19Å; Y890-W902 HydrophobicContact CD1-CZ3 4.03Å; Y890-W902 HydrophobicContact CG-CZ3 4.4Å; R900-W902 VanDerWaalsContact O-CD1 3.31Å; W902-I1018 CarbonylContact O-C 3.56Å; W902-I1018 VanDerWaalsContact O-CA 3.27Å; W902-I1018 WeakPolarHBondContact O-CA 3.48Å; W902-C1019 PolarHBondContact N-O 3.35Å; W902-C1019 PolarHBondContact O-N 2.98Å; W902-Y1031 WeakPolarHBondContact CZ2-O 3.08Å; W902-F1035 AromaticContact CD1-CD1 3.6Å; W902-F1035 HydrophobicContact CG-CD1 4.3Å; W902-F1035 AromaticContact NE1-CD1 3.82Å; W902-G1036 VanDerWaalsContact CE3-CA 3.43Å
903	R	94.3	Very high	89.7	Confident	38 Å²	38	34.6 Å²	34.6	14%	0.143	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	128.1	173	173.5	-179.8	-177.7	154.1	7.8	109.2	A870 W877 Y889 T1016 H1017 I1018	A870-R903 PolarHBondContact O-NH1 3.05Å; A870-R903 PolarHBondContact O-NH2 3.49Å; W877-R903 HydrophobicContact CD2-CB 4.49Å; W877-R903 HydrophobicContact CE3-CB 3.84Å; W877-R903 HydrophobicContact CH2-CB 3.67Å; W877-R903 HydrophobicContact CZ2-CB 4.34Å; W877-R903 HydrophobicContact CZ3-CB 3.39Å; Y889-R903 PolarHBondContact N-O 3.29Å; Y889-R903 PolarHBondContact O-N 3.08Å; R903-T1016 HydrophobicContact CG-CG2 4.12Å; R903-H1017 CarbonylContact C-O 3.57Å; R903-H1017 WeakPolarHBondContact CA-O 3.24Å; R903-I1018 HydrophobicContact CB-CG1 4.1Å; R903-I1018 HydrophobicContact CG-CD1 4.49Å; R903-I1018 HydrophobicContact CG-CG1 4.08Å
904	V	95.1	Very high	90.4	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	143.5	175.1	-178.9	0	0	0	0	108.5	E887 L888 V906 T1016 H1017 C1039 A1043	E887-V904 CarbonylContact O-C 3.59Å; E887-V904 VanDerWaalsContact O-CA 3.31Å; E887-V904 WeakPolarHBondContact O-CA 3.33Å; L888-V904 HydrophobicContact CD1-CG2 3.8Å; V904-V906 HydrophobicContact CG1-CG1 4.34Å; V904-T1016 CarbonylContact O-C 3.51Å; V904-T1016 WeakPolarHBondContact O-CA 3.42Å; V904-H1017 PolarHBondContact N-O 3.34Å; V904-H1017 PolarHBondContact O-N 2.91Å; V904-C1039 HydrophobicContact CG2-CB 3.65Å; V904-A1043 HydrophobicContact CG1-CB 3.57Å
905	S	93.9	Very high	91.4	Very high	3 Å²	3	32.4 Å²	32.4	2%	0.021	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	134.8	170	-58.2	0	0	0	0	112	E887 L1015 T1016	E887-S905 PolarHBondContact N-O 3.02Å; E887-S905 PolarHBondContact O-N 3.31Å; S905-L1015 CarbonylContact C-O 3.5Å; S905-L1015 VanDerWaalsContact CA-O 3.26Å; S905-L1015 WeakPolarHBondContact CA-O 3.41Å; S905-T1016 PolarHBondContact OG-OG1 3.33Å
906	V	95.1	Very high	92.3	Very high	2 Å²	2	28.6 Å²	28.6	1%	0.012	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	155.5	-179.6	-57.6	0	0	0	0	110.4	T886 V904 V908 R1014 L1015 A1043	T886-V906 HydrophobicContact CG2-CG1 3.61Å; V904-V906 HydrophobicContact CG1-CG1 4.34Å; V906-V908 HydrophobicContact CG2-CG2 4.08Å; V906-R1014 CarbonylContact O-C 3.53Å; V906-R1014 WeakPolarHBondContact O-CA 3.4Å; V906-L1015 HydrophobicContact CG2-CB 3.94Å; V906-L1015 HydrophobicContact CG2-CD2 4.06Å; V906-L1015 HydrophobicContact CG2-CG 4.48Å; V906-L1015 PolarHBondContact N-O 3.43Å; V906-L1015 PolarHBondContact O-N 2.86Å; V906-A1043 HydrophobicContact CG1-CB 3.85Å; V906-A1043 HydrophobicContact CG2-CB 4.03Å
907	E	94.8	Very high	93.4	Very high	80 Å²	80	29.9 Å²	29.9	37%	0.374	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	140.5	170.2	-59.3	-165.6	158.3	0	0	110.7	R1014 R1047	E907-R1014 IonicContact OE1-CZ 3.17Å; E907-R1014 IonicContact OE1-NE 2.74Å; E907-R1014 PolarHBondContact OE1-NE 3.48Å; E907-R1014 IonicContact OE1-NH2 2.71Å; E907-R1014 PolarHBondContact OE1-NH2 2.99Å; E907-R1047 WeakPolarHBondContact O-CD 3.35Å; E907-R1047 VanDerWaalsContact O-CG 3.25Å; E907-R1047 WeakPolarHBondContact O-CG 3.46Å
908	V	94.9	Very high	94.1	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	133.4	-173	-174.1	0	0	0	0	109.3	V906 A910 V915 K1012 S1013 L1015 R1047 F1050	V906-V908 HydrophobicContact CG2-CG2 4.08Å; V908-A910 HydrophobicContact CG1-CB 4.44Å; V908-A910 PolarHBondContact O-N 3.26Å; V908-V915 HydrophobicContact CB-CG2 4.22Å; V908-V915 HydrophobicContact CG1-CG2 3.78Å; V908-K1012 WeakPolarHBondContact O-CA 3.37Å; V908-K1012 WeakPolarHBondContact O-CB 3.28Å; V908-S1013 PolarHBondContact N-O 3.15Å; V908-S1013 PolarHBondContact O-N 3.45Å; V908-L1015 HydrophobicContact CG2-CB 4.11Å; V908-R1047 HydrophobicContact CG2-CB 4.09Å; V908-R1047 HydrophobicContact CG2-CG 4.36Å; V908-F1050 HydrophobicContact CG1-CB 4.21Å; V908-F1050 HydrophobicContact CG1-CD2 3.3Å; V908-F1050 HydrophobicContact CG1-CE2 3.82Å; V908-F1050 HydrophobicContact CG1-CG 3.93Å
909	E	93.6	Very high	94.7	Very high	102 Å²	102	29.3 Å²	29.3	48%	0.477	15%	0.154	S	C	.	.	S	Bend	trans	-77.9	43.4	-176.8	-54	-61.9	147.7	0	0	113	K1012	E909-K1012 IonicContact OE1-NZ 2.7Å; E909-K1012 PolarHBondContact OE1-NZ 2.98Å; E909-K1012 WeakPolarHBondContact OE2-CD 3.42Å; E909-K1012 WeakPolarHBondContact OE2-CE 3.37Å; E909-K1012 IonicContact OE2-NZ 2.81Å; E909-K1012 PolarHBondContact OE2-NZ 3.45Å
910	A	94.3	Very high	95	Very high	7 Å²	7	29.5 Å²	29.5	6%	0.058	16%	0.155	C	C	.	.	S	Bend	trans	-151.5	155.8	179	0	0	0	0	0	112.6	V908 V914 V915 G1011 S1013 F1050	V908-A910 HydrophobicContact CG1-CB 4.44Å; V908-A910 PolarHBondContact O-N 3.26Å; A910-V914 HydrophobicContact CB-CB 4.48Å; A910-V915 HydrophobicContact CB-CG2 3.82Å; A910-G1011 CarbonylContact C-O 3.09Å; A910-S1013 WeakPolarHBondContact O-CB 3.41Å; A910-S1013 PolarHBondContact O-N 2.81Å; A910-S1013 PolarHBondContact O-OG 2.85Å; A910-F1050 HydrophobicContact CB-CD1 3.56Å; A910-F1050 HydrophobicContact CB-CD2 4.47Å; A910-F1050 HydrophobicContact CB-CE1 3.58Å; A910-F1050 HydrophobicContact CB-CE2 4.46Å; A910-F1050 HydrophobicContact CB-CG 4.01Å; A910-F1050 HydrophobicContact CB-CZ 4.03Å
911	P	95	Very high	95.3	Very high	59 Å²	59	33.3 Å²	33.3	38%	0.383	17%	0.17	S	C	.	.			trans	-67.8	156.3	178	-21.3	33.5	0	0	0	114	S913 V914 V915	P911-S913 VanDerWaalsContact C-N 3.33Å; P911-S913 PolarHBondContact O-N 2.75Å; P911-V914 HydrophobicContact CB-CG2 4.26Å; P911-V914 HydrophobicContact CG-CG2 4.27Å; P911-V914 PolarHBondContact O-N 3.47Å; P911-V915 PolarHBondContact O-N 3.06Å
912	P	96	Very high	95.4	Very high	13 Å²	13	33.6 Å²	33.6	8%	0.084	17%	0.173	C	C	.	.	H	α-helix	trans	-58.4	-38.1	-169.9	-29.4	36.5	0	0	0	114.9	V915 L916 C976 L1005 P1007 S1013	P912-V915 PolarHBondContact O-N 2.88Å; P912-L916 WeakPolarHBondContact O-CB 3.49Å; P912-L916 PolarHBondContact O-N 3.47Å; P912-C976 HydrophobicContact CB-CB 4.06Å; P912-L1005 HydrophobicContact CB-CB 4.02Å; P912-L1005 VanDerWaalsContact O-CD1 3.32Å; P912-L1005 WeakPolarHBondContact O-CD1 3.49Å; P912-P1007 HydrophobicContact CG-CB 3.98Å; P912-P1007 HydrophobicContact CG-CG 4.31Å; P912-S1013 WeakPolarHBondContact CA-OG 3.36Å; P912-S1013 WeakPolarHBondContact CD-OG 3.39Å; P912-S1013 WeakPolarHBondContact CG-OG 3.38Å
913	S	94.7	Very high	95.5	Very high	68 Å²	68	34.7 Å²	34.7	48%	0.476	18%	0.177	S	C	.	.	H	α-helix	trans	-68.6	-32.4	177.7	51.1	0	0	0	0	113.3	P911 N917	P911-S913 VanDerWaalsContact C-N 3.33Å; P911-S913 PolarHBondContact O-N 2.75Å; S913-N917 PolarHBondContact O-N 3.45Å; S913-N917 VanDerWaalsContact O-N 3.09Å
914	V	95.9	Very high	95.5	Very high	64 Å²	64	36.9 Å²	36.9	39%	0.388	19%	0.189	S	C	.	.	H	α-helix	trans	-74.5	-41.2	176.8	-169.7	0	0	0	0	110.1	A910 P911 L916 N917 R918 F1050	A910-V914 HydrophobicContact CB-CB 4.48Å; P911-V914 HydrophobicContact CB-CG2 4.26Å; P911-V914 HydrophobicContact CG-CG2 4.27Å; P911-V914 PolarHBondContact O-N 3.47Å; V914-L916 VanDerWaalsContact C-N 3.31Å; V914-L916 PolarHBondContact O-N 2.79Å; V914-N917 PolarHBondContact O-N 3.36Å; V914-R918 PolarHBondContact O-N 2.72Å; V914-F1050 HydrophobicContact CG1-CE1 3.85Å; V914-F1050 HydrophobicContact CG1-CZ 4.32Å
915	V	96.9	Very high	95.5	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-63.3	-37.4	172.7	-177.8	0	0	0	0	111.1	V908 A910 P911 P912 R918 V919 L1005 L1015 F1050	V908-V915 HydrophobicContact CB-CG2 4.22Å; V908-V915 HydrophobicContact CG1-CG2 3.78Å; A910-V915 HydrophobicContact CB-CG2 3.82Å; P911-V915 PolarHBondContact O-N 3.06Å; P912-V915 PolarHBondContact O-N 2.88Å; V915-R918 PolarHBondContact O-N 2.92Å; V915-V919 WeakPolarHBondContact O-CG2 3.05Å; V915-V919 PolarHBondContact O-N 3.32Å; V915-L1005 HydrophobicContact CB-CD1 4.08Å; V915-L1005 HydrophobicContact CB-CD2 4.49Å; V915-L1005 HydrophobicContact CG1-CD1 4.03Å; V915-L1005 HydrophobicContact CG1-CD2 3.75Å; V915-L1015 HydrophobicContact CG1-CD1 3.9Å; V915-F1050 HydrophobicContact CB-CE2 4.39Å; V915-F1050 HydrophobicContact CB-CZ 4.45Å; V915-F1050 HydrophobicContact CG1-CE2 4.44Å; V915-F1050 HydrophobicContact CG2-CE2 3.93Å; V915-F1050 HydrophobicContact CG2-CZ 4.04Å
916	L	97.3	Very high	95.5	Very high	7 Å²	7	41.2 Å²	41.2	4%	0.037	21%	0.211	C	C	.	.	H	α-helix	trans	-60.9	-46.2	172.9	-175.4	68.5	0	0	0	111.7	P912 V914 R918 V919 L920 W967 T969 C976 L978 L1005	P912-L916 WeakPolarHBondContact O-CB 3.49Å; P912-L916 PolarHBondContact O-N 3.47Å; V914-L916 VanDerWaalsContact C-N 3.31Å; V914-L916 PolarHBondContact O-N 2.79Å; L916-R918 VanDerWaalsContact C-N 3.34Å; L916-R918 PolarHBondContact O-N 2.74Å; L916-V919 PolarHBondContact O-N 3.02Å; L916-L920 HydrophobicContact CD1-CD1 4.09Å; L916-L920 HydrophobicContact CD1-CG 4.31Å; L916-L920 HydrophobicContact CD2-CD1 4.27Å; L916-L920 HydrophobicContact CG-CD1 3.82Å; L916-L920 HydrophobicContact CG-CG 4.37Å; L916-L920 WeakPolarHBondContact O-CB 3.44Å; L916-L920 PolarHBondContact O-N 2.64Å; L916-W967 HydrophobicContact CD1-CB 4.28Å; L916-W967 HydrophobicContact CD2-CB 4.26Å; L916-W967 HydrophobicContact CD2-CG 4.4Å; L916-T969 HydrophobicContact CD2-CG2 3.52Å; L916-C976 HydrophobicContact CB-CB 4.3Å; L916-C976 HydrophobicContact CD2-CB 4.21Å; L916-L978 HydrophobicContact CD1-CB 3.84Å; L916-L1005 HydrophobicContact CB-CD1 3.8Å; L916-L1005 HydrophobicContact CD1-CD1 4.31Å
917	N	96.8	Very high	95.4	Very high	70 Å²	70	41.4 Å²	41.4	37%	0.374	21%	0.212	S	C	.	.	H	α-helix	trans	-63.1	-40.7	178.5	-161.2	65.3	0	0	0	112.2	S913 V914 V919 L920 R921 E922	S913-N917 PolarHBondContact O-N 3.45Å; S913-N917 VanDerWaalsContact O-N 3.09Å; V914-N917 PolarHBondContact O-N 3.36Å; N917-V919 VanDerWaalsContact C-N 3.29Å; N917-V919 PolarHBondContact O-N 2.81Å; N917-L920 PolarHBondContact O-N 2.96Å; N917-R921 PolarHBondContact O-N 3.01Å; N917-E922 PolarHBondContact ND2-OE1 2.66Å; N917-E922 PolarHBondContact O-N 3.21Å
918	R	97	Very high	95.1	Very high	29 Å²	29	44.6 Å²	44.6	11%	0.109	23%	0.228	C	C	.	.	H	α-helix	trans	-56.7	-41.1	175.5	178.8	57.8	48.8	85.8	-3.6	112.5	V914 V915 L916 E922 W926 S1049 F1050	V914-R918 PolarHBondContact O-N 2.72Å; V915-R918 PolarHBondContact O-N 2.92Å; L916-R918 VanDerWaalsContact C-N 3.34Å; L916-R918 PolarHBondContact O-N 2.74Å; R918-E922 IonicContact CZ-OE2 2.74Å; R918-E922 IonicContact NE-OE2 2.71Å; R918-E922 PolarHBondContact NE-OE2 2.92Å; R918-E922 IonicContact NH2-OE2 3.17Å; R918-E922 PolarHBondContact NH2-OE2 3.22Å; R918-E922 CarbonylContact O-C 3.58Å; R918-E922 PolarHBondContact O-N 3.08Å; R918-W926 PolarHBondContact O-NE1 3.1Å; R918-S1049 WeakPolarHBondContact CD-OG 3.41Å; R918-S1049 VanDerWaalsContact NH1-C 3.28Å; R918-S1049 PolarHBondContact NH1-O 2.84Å; R918-S1049 PolarHBondContact NH1-OG 2.88Å; R918-F1050 HydrophobicContact CB-CE2 3.76Å; R918-F1050 HydrophobicContact CB-CZ 3.46Å; R918-F1050 VanDerWaalsContact CB-CZ 3.46Å; R918-F1050 HydrophobicContact CG-CE2 3.61Å; R918-F1050 HydrophobicContact CG-CZ 3.76Å
919	V	96.8	Very high	94.9	Very high	11 Å²	11	47 Å²	47	7%	0.067	24%	0.241	C	C	.	.	H	α-helix	trans	-78	-39.1	178.4	177.1	0	0	0	0	112	V915 L916 N917 W926 L978 Y1003 I1046	V915-V919 WeakPolarHBondContact O-CG2 3.05Å; V915-V919 PolarHBondContact O-N 3.32Å; L916-V919 PolarHBondContact O-N 3.02Å; N917-V919 VanDerWaalsContact C-N 3.29Å; N917-V919 PolarHBondContact O-N 2.81Å; V919-W926 HydrophobicContact CG1-CZ2 4.4Å; V919-L978 HydrophobicContact CG1-CD2 3.91Å; V919-Y1003 HydrophobicContact CG1-CD2 4.2Å; V919-Y1003 HydrophobicContact CG1-CE1 4.29Å; V919-Y1003 HydrophobicContact CG1-CE2 3.92Å; V919-Y1003 HydrophobicContact CG2-CE1 4.5Å; V919-I1046 HydrophobicContact CG2-CD1 4Å; V919-I1046 HydrophobicContact CG2-CG1 4.4Å; V919-I1046 HydrophobicContact CG2-CG2 4.01Å
920	L	95.9	Very high	94.9	Very high	8 Å²	8	43.1 Å²	43.1	4%	0.042	22%	0.224	C	C	.	.	H	α-helix	trans	-73.4	-44.9	-177.8	-80.1	176.4	0	0	0	114.1	L916 N917 R965 W967 L978	L916-L920 HydrophobicContact CD1-CD1 4.09Å; L916-L920 HydrophobicContact CD1-CG 4.31Å; L916-L920 HydrophobicContact CD2-CD1 4.27Å; L916-L920 HydrophobicContact CG-CD1 3.82Å; L916-L920 HydrophobicContact CG-CG 4.37Å; L916-L920 WeakPolarHBondContact O-CB 3.44Å; L916-L920 PolarHBondContact O-N 2.64Å; N917-L920 PolarHBondContact O-N 2.96Å; L920-R965 PolarHBondContact O-NH1 2.91Å; L920-R965 VanDerWaalsContact O-NH1 3.13Å; L920-R965 PolarHBondContact O-NH2 3.44Å; L920-W967 HydrophobicContact CD1-CB 4.37Å; L920-W967 HydrophobicContact CD1-CD2 3.63Å; L920-W967 HydrophobicContact CD1-CE3 3.97Å; L920-W967 HydrophobicContact CD1-CG 3.81Å; L920-W967 HydrophobicContact CD2-CD2 4.29Å; L920-W967 HydrophobicContact CD2-CE3 3.77Å; L920-W967 HydrophobicContact CD2-CZ3 4.2Å; L920-L978 HydrophobicContact CD2-CD1 3.78Å; L920-L978 HydrophobicContact CD2-CD2 3.74Å; L920-L978 HydrophobicContact CD2-CG 4.37Å; L920-L978 HydrophobicContact CG-CD2 4.21Å
921	R	95.7	Very high	94.9	Very high	92 Å²	92	47.3 Å²	47.3	35%	0.347	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-120.3	-29.7	-164.2	-55.4	-58.8	175.7	-165	-5.6	114.1	N917 E944 W967	N917-R921 PolarHBondContact O-N 3.01Å; R921-E944 IonicContact CZ-OE1 3.05Å; R921-E944 IonicContact CZ-OE2 3.34Å; R921-E944 VanDerWaalsContact NH1-CD 3.26Å; R921-E944 IonicContact NH1-OE1 2.74Å; R921-E944 PolarHBondContact NH1-OE1 3.38Å; R921-E944 IonicContact NH1-OE2 3.47Å; R921-E944 PolarHBondContact NH1-OE2 3.45Å; R921-E944 IonicContact NH2-OE1 3.42Å; R921-E944 IonicContact NH2-OE2 2.72Å; R921-E944 PolarHBondContact NH2-OE2 3.37Å; R921-W967 VanDerWaalsContact NH2-CH2 3.34Å
922	E	95.8	Very high	94.7	Very high	47 Å²	47	50.1 Å²	50.1	22%	0.22	25%	0.253	C	S	.	.			trans	-106.4	34.2	-171.4	-54.6	166	-147.4	0	0	112.7	N917 R918 H924 L925	N917-E922 PolarHBondContact ND2-OE1 2.66Å; N917-E922 PolarHBondContact O-N 3.21Å; R918-E922 IonicContact CZ-OE2 2.74Å; R918-E922 IonicContact NE-OE2 2.71Å; R918-E922 PolarHBondContact NE-OE2 2.92Å; R918-E922 IonicContact NH2-OE2 3.17Å; R918-E922 PolarHBondContact NH2-OE2 3.22Å; R918-E922 CarbonylContact O-C 3.58Å; R918-E922 PolarHBondContact O-N 3.08Å; E922-H924 PolarHBondContact O-N 2.95Å; E922-L925 HydrophobicContact CB-CD1 3.9Å; E922-L925 HydrophobicContact CB-CG 4.18Å; E922-L925 HydrophobicContact CG-CD1 4.42Å; E922-L925 WeakPolarHBondContact O-CB 3.22Å; E922-L925 PolarHBondContact O-N 3.3Å
923	R	95.4	Very high	94.6	Very high	28 Å²	28	55.4 Å²	55.4	11%	0.106	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-55	-36.4	-176.9	-172	177.5	-176.9	120.5	18.2	113.4	L925 W926 D927 L930 Y948 E1042	R923-L925 PolarHBondContact O-N 3.01Å; R923-L925 VanDerWaalsContact O-N 3.11Å; R923-W926 HydrophobicContact CB-CZ2 4.12Å; R923-W926 HydrophobicContact CG-CD2 4.47Å; R923-W926 HydrophobicContact CG-CH2 3.83Å; R923-W926 HydrophobicContact CG-CZ2 3.7Å; R923-W926 HydrophobicContact CG-CZ3 4.23Å; R923-W926 PolarHBondContact O-N 3.4Å; R923-D927 HydrophobicContact CG-CB 3.82Å; R923-D927 IonicContact CZ-OD2 2.63Å; R923-D927 IonicContact NE-OD2 2.69Å; R923-D927 PolarHBondContact NE-OD2 2.83Å; R923-D927 IonicContact NH2-OD2 3.15Å; R923-D927 PolarHBondContact NH2-OD2 3.3Å; R923-D927 WeakPolarHBondContact O-CB 3.37Å; R923-D927 PolarHBondContact O-N 2.95Å; R923-L930 HydrophobicContact CB-CD2 3.86Å; R923-L930 HydrophobicContact CG-CD2 3.88Å; R923-Y948 VanDerWaalsContact NH1-CE2 3.33Å; R923-E1042 IonicContact NH2-OE1 2.74Å
924	H	94.3	Very high	94.6	Very high	84 Å²	84	56 Å²	56	39%	0.389	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-60.7	-17.2	176.7	57.3	-96.9	0	0	0	114.2	E922 M928 L930 W933	E922-H924 PolarHBondContact O-N 2.95Å; H924-M928 VanDerWaalsContact O-CE 3.29Å; H924-M928 WeakPolarHBondContact O-CE 3.2Å; H924-L930 HydrophobicContact CB-CD2 4.18Å; H924-W933 HydrophobicContact CB-CH2 4Å; H924-W933 HydrophobicContact CB-CZ3 4.37Å; H924-W933 AromaticContact ND1-CH2 3.89Å; H924-W933 AromaticContact ND1-CZ2 3.65Å
925	L	94.6	Very high	94.5	Very high	86 Å²	86	55.7 Å²	55.7	45%	0.45	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-82.1	-10.7	175.3	-60	-175.5	0	0	0	113.9	E922 R923	E922-L925 HydrophobicContact CB-CD1 3.9Å; E922-L925 HydrophobicContact CB-CG 4.18Å; E922-L925 HydrophobicContact CG-CD1 4.42Å; E922-L925 WeakPolarHBondContact O-CB 3.22Å; E922-L925 PolarHBondContact O-N 3.3Å; R923-L925 PolarHBondContact O-N 3.01Å; R923-L925 VanDerWaalsContact O-N 3.11Å
926	W	93.9	Very high	94.3	Very high	8 Å²	8	57 Å²	57	3%	0.03	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-137.1	-5.2	-178	55.8	-93.6	0	0	0	114.7	R918 V919 R923 E1042 R1045 I1046	R918-W926 PolarHBondContact O-NE1 3.1Å; V919-W926 HydrophobicContact CG1-CZ2 4.4Å; R923-W926 HydrophobicContact CB-CZ2 4.12Å; R923-W926 HydrophobicContact CG-CD2 4.47Å; R923-W926 HydrophobicContact CG-CH2 3.83Å; R923-W926 HydrophobicContact CG-CZ2 3.7Å; R923-W926 HydrophobicContact CG-CZ3 4.23Å; R923-W926 PolarHBondContact O-N 3.4Å; W926-E1042 HydrophobicContact CE3-CG 4.42Å; W926-E1042 HydrophobicContact CH2-CG 4.37Å; W926-E1042 HydrophobicContact CZ3-CG 3.69Å; W926-R1045 HydrophobicContact CB-CB 4.19Å; W926-R1045 VanDerWaalsContact O-CB 3.26Å; W926-R1045 WeakPolarHBondContact O-CB 3.35Å; W926-R1045 WeakPolarHBondContact O-CD 3.49Å; W926-R1045 PolarHBondContact O-NE 2.96Å; W926-I1046 HydrophobicContact CD2-CD1 4.39Å; W926-I1046 HydrophobicContact CD2-CG1 3.49Å; W926-I1046 VanDerWaalsContact CD2-CG1 3.49Å; W926-I1046 HydrophobicContact CE3-CD1 4.28Å; W926-I1046 HydrophobicContact CE3-CG1 3.67Å; W926-I1046 HydrophobicContact CG-CG1 3.94Å; W926-I1046 HydrophobicContact CH2-CD1 4.08Å; W926-I1046 HydrophobicContact CH2-CG1 4.22Å; W926-I1046 HydrophobicContact CZ2-CD1 4.18Å; W926-I1046 HydrophobicContact CZ2-CG1 4.07Å; W926-I1046 HydrophobicContact CZ3-CD1 4.15Å; W926-I1046 HydrophobicContact CZ3-CG1 4.06Å
927	D	93.2	Very high	94.1	Very high	6 Å²	6	60.2 Å²	60.2	3%	0.032	29%	0.287	C	S	.	.			trans	-126.9	94.5	-178.6	-148.3	22.5	0	0	0	111.5	R923 D929 L930 L950 R1045	R923-D927 HydrophobicContact CG-CB 3.82Å; R923-D927 IonicContact CZ-OD2 2.63Å; R923-D927 IonicContact NE-OD2 2.69Å; R923-D927 PolarHBondContact NE-OD2 2.83Å; R923-D927 IonicContact NH2-OD2 3.15Å; R923-D927 PolarHBondContact NH2-OD2 3.3Å; R923-D927 WeakPolarHBondContact O-CB 3.37Å; R923-D927 PolarHBondContact O-N 2.95Å; D927-D929 PolarHBondContact O-N 3.45Å; D927-L930 HydrophobicContact CB-CB 4.36Å; D927-L930 VanDerWaalsContact O-CB 3.24Å; D927-L930 WeakPolarHBondContact O-CB 3.41Å; D927-L930 PolarHBondContact O-N 3.46Å; D927-L930 VanDerWaalsContact O-N 3.14Å; D927-L950 WeakPolarHBondContact OD2-CD2 3.32Å; D927-R1045 IonicContact OD1-CZ 3.44Å; D927-R1045 IonicContact OD1-NE 2.75Å; D927-R1045 IonicContact OD1-NH2 3.18Å; D927-R1045 PolarHBondContact OD1-NH2 3.06Å
928	M	88.8	Confident	94	Very high	148 Å²	148	61.6 Å²	61.6	73%	0.729	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-16.8	-176.4	-57.3	-66.2	89.6	0	0	113.4	H924 L930	H924-M928 VanDerWaalsContact O-CE 3.29Å; H924-M928 WeakPolarHBondContact O-CE 3.2Å; M928-L930 VanDerWaalsContact C-N 3.28Å
929	D	91.2	Very high	93.8	Very high	49 Å²	49	62.2 Å²	62.2	26%	0.262	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-5.2	171.3	-75.6	-48.3	0	0	0	112.4	Q622 D927 L931 L950 S951	Q622-D929 PolarHBondContact NE2-OD1 3.25Å; D927-D929 PolarHBondContact O-N 3.45Å; D929-L931 PolarHBondContact O-N 3.31Å; D929-L950 CarbonylContact O-C 3.59Å; D929-L950 WeakPolarHBondContact O-CA 3.17Å; D929-S951 WeakPolarHBondContact O-CB 3.32Å; D929-S951 PolarHBondContact O-N 2.95Å
930	L	94.4	Very high	93.5	Very high	22 Å²	22	63.7 Å²	63.7	12%	0.115	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	111.9	-176.9	-176.9	66.5	0	0	0	112.1	R923 H924 D927 M928 W933 L950	R923-L930 HydrophobicContact CB-CD2 3.86Å; R923-L930 HydrophobicContact CG-CD2 3.88Å; H924-L930 HydrophobicContact CB-CD2 4.18Å; D927-L930 HydrophobicContact CB-CB 4.36Å; D927-L930 VanDerWaalsContact O-CB 3.24Å; D927-L930 WeakPolarHBondContact O-CB 3.41Å; D927-L930 PolarHBondContact O-N 3.46Å; D927-L930 VanDerWaalsContact O-N 3.14Å; M928-L930 VanDerWaalsContact C-N 3.28Å; L930-W933 HydrophobicContact CD1-CE3 4.25Å; L930-W933 HydrophobicContact CD2-CD2 4Å; L930-W933 HydrophobicContact CD2-CE3 3.4Å; L930-W933 HydrophobicContact CD2-CZ3 3.71Å; L930-W933 HydrophobicContact CG-CE3 3.69Å; L930-W933 HydrophobicContact CG-CZ3 4.08Å; L930-L950 HydrophobicContact CB-CD2 4.33Å; L930-L950 HydrophobicContact CD1-CD2 3.91Å
931	L	92.6	Very high	93.3	Very high	95 Å²	95	73 Å²	73	50%	0.497	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	-45.9	179.7	-63	178	0	0	0	112.7	D929 V949	D929-L931 PolarHBondContact O-N 3.31Å; L931-V949 HydrophobicContact CD1-CG1 4.44Å; L931-V949 PolarHBondContact N-O 3.02Å
932	Q	92	Very high	93.2	Very high	118 Å²	118	71.1 Å²	71.1	55%	0.551	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-149.2	151.4	-173.7	-64	-177.6	-3.9	0	0	110.6	Y948 V949	Q932-Y948 CarbonylContact O-C 3.52Å; Q932-Y948 WeakPolarHBondContact O-CA 3.12Å; Q932-V949 HydrophobicContact CB-CB 4.29Å; Q932-V949 HydrophobicContact CB-CG2 4.35Å; Q932-V949 PolarHBondContact O-N 2.94Å
933	W	93.8	Very high	93.2	Very high	124 Å²	124	69 Å²	69	47%	0.47	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	148.7	169.5	66	96.9	0	0	0	111.9	H924 L930 F946 Q947	H924-W933 HydrophobicContact CB-CH2 4Å; H924-W933 HydrophobicContact CB-CZ3 4.37Å; H924-W933 AromaticContact ND1-CH2 3.89Å; H924-W933 AromaticContact ND1-CZ2 3.65Å; L930-W933 HydrophobicContact CD1-CE3 4.25Å; L930-W933 HydrophobicContact CD2-CD2 4Å; L930-W933 HydrophobicContact CD2-CE3 3.4Å; L930-W933 HydrophobicContact CD2-CZ3 3.71Å; L930-W933 HydrophobicContact CG-CE3 3.69Å; L930-W933 HydrophobicContact CG-CZ3 4.08Å; W933-F946 HydrophobicContact CB-CE2 4.24Å; W933-F946 HydrophobicContact CB-CZ 3.76Å; W933-F946 HydrophobicContact CG-CZ 4.19Å; W933-Q947 CarbonylContact C-O 3.55Å; W933-Q947 VanDerWaalsContact CA-O 3.24Å; W933-Q947 WeakPolarHBondContact CA-O 3.28Å
934	K	93.6	Very high	93.2	Very high	79 Å²	79	67.9 Å²	67.9	34%	0.343	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	149.8	171.6	60.5	170.9	-179.8	166.8	0	111.2	F946 Q947 D987	K934-F946 WeakPolarHBondContact O-CD2 3.5Å; K934-Q947 HydrophobicContact CG-CB 3.99Å; K934-Q947 PolarHBondContact N-O 2.77Å; K934-Q947 PolarHBondContact O-N 2.89Å; K934-D987 PolarHBondContact NZ-O 3.28Å
935	V	95	Very high	93.2	Very high	58 Å²	58	63.9 Å²	63.9	35%	0.352	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	124.7	156.4	-177.1	0	0	0	0	105.9	E944 F946	V935-E944 HydrophobicContact CG1-CB 4.13Å; V935-E944 HydrophobicContact CG1-CG 4.36Å; V935-F946 HydrophobicContact CG2-CD2 4.02Å; V935-F946 HydrophobicContact CG2-CE2 4.47Å
936	C	92.6	Very high	93.2	Very high	27 Å²	27	60.3 Å²	60.3	18%	0.182	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	-49.3	176.1	-60.1	0	0	0	0	110.2	V945	C936-V945 HydrophobicContact CB-CB 4.26Å; C936-V945 HydrophobicContact CB-CG1 4.01Å; C936-V945 PolarHBondContact N-O 3.43Å
937	E	93.4	Very high	93.3	Very high	75 Å²	75	60.2 Å²	60.2	35%	0.35	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	141.8	-177	-174.8	-174.1	-153.9	0	0	109.4	L939 E944 V945 H985	E937-L939 VanDerWaalsContact CD-CD2 3.48Å; E937-L939 HydrophobicContact CG-CD2 4.3Å; E937-L939 HydrophobicContact CG-CG 4.36Å; E937-L939 VanDerWaalsContact OE2-CD2 3.3Å; E937-L939 WeakPolarHBondContact OE2-CD2 3.36Å; E937-E944 CarbonylContact O-C 3.41Å; E937-E944 WeakPolarHBondContact O-CA 3.35Å; E937-E944 WeakPolarHBondContact O-CB 3.33Å; E937-V945 HydrophobicContact CB-CB 4.12Å; E937-V945 HydrophobicContact CB-CG2 4.16Å; E937-V945 PolarHBondContact N-O 2.61Å; E937-V945 PolarHBondContact O-N 3.12Å; E937-H985 IonicContact OE2-NE2 3.45Å
938	T	94.3	Very high	93.4	Very high	100 Å²	100	61.1 Å²	61.1	61%	0.613	30%	0.297	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.8	104.4	170.3	-56.4	0	0	0	0	108.7	D940	T938-D940 WeakPolarHBondContact CG2-O 3.21Å
939	L	91.6	Very high	93.6	Very high	42 Å²	42	54.3 Å²	54.3	22%	0.22	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	-42.5	-174.1	-73.3	166.3	0	0	0	112	I841 Y855 E937 T943 V945 L964	I841-L939 HydrophobicContact CD1-CD1 4.44Å; Y855-L939 HydrophobicContact CD2-CD1 4.39Å; Y855-L939 HydrophobicContact CE2-CB 4.16Å; Y855-L939 HydrophobicContact CE2-CD1 4.09Å; E937-L939 VanDerWaalsContact CD-CD2 3.48Å; E937-L939 HydrophobicContact CG-CD2 4.3Å; E937-L939 HydrophobicContact CG-CG 4.36Å; E937-L939 VanDerWaalsContact OE2-CD2 3.3Å; E937-L939 WeakPolarHBondContact OE2-CD2 3.36Å; L939-T943 HydrophobicContact CB-CG2 4.38Å; L939-T943 HydrophobicContact CD1-CG2 4.19Å; L939-T943 PolarHBondContact N-O 3.24Å; L939-V945 HydrophobicContact CD1-CG2 4.16Å; L939-L964 HydrophobicContact CD1-CD1 3.49Å; L939-L964 VanDerWaalsContact CD1-CD1 3.49Å
940	D	91.9	Very high	93.7	Very high	42 Å²	42	53.2 Å²	53.2	23%	0.225	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	-174.9	173.2	70.9	58.8	0	0	0	111.5	Q856 T938 Q942 T943	Q856-D940 PolarHBondContact NE2-OD2 3.05Å; T938-D940 WeakPolarHBondContact CG2-O 3.21Å; D940-Q942 PolarHBondContact O-N 3.36Å; D940-Q942 VanDerWaalsContact O-N 3.15Å; D940-Q942 WeakPolarHBondContact OD1-CA 3.47Å; D940-Q942 PolarHBondContact OD1-N 2.9Å; D940-T943 VanDerWaalsContact CG-OG1 3.32Å; D940-T943 PolarHBondContact N-O 3.01Å; D940-T943 PolarHBondContact O-N 3.02Å; D940-T943 PolarHBondContact OD1-N 2.78Å; D940-T943 PolarHBondContact OD1-OG1 2.9Å; D940-T943 WeakPolarHBondContact OD2-CB 3.46Å; D940-T943 PolarHBondContact OD2-OG1 2.95Å
941	K	91.6	Very high	93.6	Very high	202 Å²	202	53.9 Å²	53.9	88%	0.878	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-13.3	-177	-64.2	-179	-179.5	176.9	0	114.5
942	Q	93.4	Very high	93.5	Very high	54 Å²	54	50.8 Å²	50.8	25%	0.252	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-131.6	2	-174.8	-77.8	-174.3	-11.7	0	0	112.9	D940 S966 W967 R968	D940-Q942 PolarHBondContact O-N 3.36Å; D940-Q942 VanDerWaalsContact O-N 3.15Å; D940-Q942 WeakPolarHBondContact OD1-CA 3.47Å; D940-Q942 PolarHBondContact OD1-N 2.9Å; Q942-S966 CarbonylContact O-C 3.56Å; Q942-S966 WeakPolarHBondContact O-CA 3.39Å; Q942-S966 PolarHBondContact O-OG 3.05Å; Q942-W967 WeakPolarHBondContact CB-O 3.29Å; Q942-W967 VanDerWaalsContact O-CD2 3.26Å; Q942-W967 PolarHBondContact O-N 2.96Å; Q942-W967 PolarHBondContact OE1-O 3Å; Q942-R968 VanDerWaalsContact OE1-CD 3.3Å
943	T	94.8	Very high	93.3	Very high	2 Å²	2	45.2 Å²	45.2	1%	0.012	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	131	-175.5	-48.6	0	0	0	0	111.3	Y855 L859 L939 D940 L964 R965 S966	Y855-T943 HydrophobicContact CE2-CG2 4.35Å; L859-T943 HydrophobicContact CD1-CG2 3.73Å; L939-T943 HydrophobicContact CB-CG2 4.38Å; L939-T943 HydrophobicContact CD1-CG2 4.19Å; L939-T943 PolarHBondContact N-O 3.24Å; D940-T943 VanDerWaalsContact CG-OG1 3.32Å; D940-T943 PolarHBondContact N-O 3.01Å; D940-T943 PolarHBondContact O-N 3.02Å; D940-T943 PolarHBondContact OD1-N 2.78Å; D940-T943 PolarHBondContact OD1-OG1 2.9Å; D940-T943 WeakPolarHBondContact OD2-CB 3.46Å; D940-T943 PolarHBondContact OD2-OG1 2.95Å; T943-L964 HydrophobicContact CG2-CD1 3.81Å; T943-R965 WeakPolarHBondContact CA-O 3.26Å; T943-S966 WeakPolarHBondContact OG1-CB 3.22Å; T943-S966 PolarHBondContact OG1-OG 3.05Å
944	E	95.6	Very high	92.8	Very high	4 Å²	4	42.1 Å²	42.1	2%	0.019	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	160.6	178.6	77	-173.1	-157	0	0	112.1	R921 V935 E937 F946 R965 W967	R921-E944 IonicContact CZ-OE1 3.05Å; R921-E944 IonicContact CZ-OE2 3.34Å; R921-E944 VanDerWaalsContact NH1-CD 3.26Å; R921-E944 IonicContact NH1-OE1 2.74Å; R921-E944 PolarHBondContact NH1-OE1 3.38Å; R921-E944 IonicContact NH1-OE2 3.47Å; R921-E944 PolarHBondContact NH1-OE2 3.45Å; R921-E944 IonicContact NH2-OE1 3.42Å; R921-E944 IonicContact NH2-OE2 2.72Å; R921-E944 PolarHBondContact NH2-OE2 3.37Å; V935-E944 HydrophobicContact CG1-CB 4.13Å; V935-E944 HydrophobicContact CG1-CG 4.36Å; E937-E944 CarbonylContact O-C 3.41Å; E937-E944 WeakPolarHBondContact O-CA 3.35Å; E937-E944 WeakPolarHBondContact O-CB 3.33Å; E944-F946 HydrophobicContact CG-CB 4.4Å; E944-R965 HydrophobicContact CG-CG 3.85Å; E944-R965 PolarHBondContact N-O 3.41Å; E944-R965 PolarHBondContact O-N 3.27Å; E944-R965 IonicContact OE1-CZ 3.79Å; E944-R965 IonicContact OE1-NE 2.88Å; E944-R965 PolarHBondContact OE1-NE 3.47Å; E944-R965 IonicContact OE1-NH2 2.81Å; E944-R965 PolarHBondContact OE1-NH2 3.44Å; E944-W967 HydrophobicContact CB-CH2 4.48Å; E944-W967 HydrophobicContact CG-CH2 4.19Å; E944-W967 HydrophobicContact CG-CZ3 3.98Å
945	V	95.5	Very high	92.5	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	121.7	165.2	-177.1	0	0	0	0	108.3	I841 C936 E937 L939 V962 L964 I983 H985	I841-V945 HydrophobicContact CD1-CG2 4.34Å; C936-V945 HydrophobicContact CB-CB 4.26Å; C936-V945 HydrophobicContact CB-CG1 4.01Å; C936-V945 PolarHBondContact N-O 3.43Å; E937-V945 HydrophobicContact CB-CB 4.12Å; E937-V945 HydrophobicContact CB-CG2 4.16Å; E937-V945 PolarHBondContact N-O 2.61Å; E937-V945 PolarHBondContact O-N 3.12Å; L939-V945 HydrophobicContact CD1-CG2 4.16Å; V945-V962 HydrophobicContact CG1-CG1 3.95Å; V945-L964 HydrophobicContact CG2-CD1 4.34Å; V945-I983 HydrophobicContact CG1-CD1 3.9Å; V945-I983 HydrophobicContact CG1-CG1 4.42Å; V945-I983 HydrophobicContact CG2-CD1 3.78Å; V945-H985 HydrophobicContact CG1-CB 4.42Å
946	F	95.1	Very high	92.2	Very high	12 Å²	12	39.2 Å²	39.2	5%	0.053	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	131.4	-175.4	-175.2	-109.3	0	0	0	110.9	W933 K934 V935 E944 Y948 A963 R965	W933-F946 HydrophobicContact CB-CE2 4.24Å; W933-F946 HydrophobicContact CB-CZ 3.76Å; W933-F946 HydrophobicContact CG-CZ 4.19Å; K934-F946 WeakPolarHBondContact O-CD2 3.5Å; V935-F946 HydrophobicContact CG2-CD2 4.02Å; V935-F946 HydrophobicContact CG2-CE2 4.47Å; E944-F946 HydrophobicContact CG-CB 4.4Å; F946-Y948 AromaticContact CD1-CD1 3.73Å; F946-Y948 HydrophobicContact CD1-CD1 3.73Å; F946-Y948 HydrophobicContact CD1-CE1 4.5Å; F946-Y948 AromaticContact CE1-CD1 3.67Å; F946-Y948 HydrophobicContact CE1-CD1 3.67Å; F946-Y948 HydrophobicContact CE1-CG 4.16Å; F946-A963 PolarHBondContact N-O 3.44Å; F946-A963 PolarHBondContact O-N 3.36Å; F946-R965 HydrophobicContact CB-CG 4.24Å; F946-R965 VanDerWaalsContact CB-NE 3.35Å; F946-R965 VanDerWaalsContact CG-CZ 3.44Å
947	Q	94.8	Very high	92.1	Very high	6 Å²	6	39.9 Å²	39.9	3%	0.028	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	137.2	173.7	-172.8	172.2	5.9	0	0	110.3	W933 K934 D960 F961 V962 T991	W933-Q947 CarbonylContact C-O 3.55Å; W933-Q947 VanDerWaalsContact CA-O 3.24Å; W933-Q947 WeakPolarHBondContact CA-O 3.28Å; K934-Q947 HydrophobicContact CG-CB 3.99Å; K934-Q947 PolarHBondContact N-O 2.77Å; K934-Q947 PolarHBondContact O-N 2.89Å; Q947-D960 WeakPolarHBondContact CG-OD1 3.21Å; Q947-D960 PolarHBondContact NE2-OD1 2.87Å; Q947-D960 PolarHBondContact NE2-OD2 2.68Å; Q947-F961 CarbonylContact C-O 3.44Å; Q947-F961 VanDerWaalsContact CA-O 3.24Å; Q947-F961 WeakPolarHBondContact CA-O 3.44Å; Q947-V962 HydrophobicContact CB-CG2 3.98Å; Q947-V962 HydrophobicContact CG-CG2 3.67Å; Q947-T991 PolarHBondContact NE2-OG1 3.21Å
948	Y	94.4	Very high	92.1	Very high	24 Å²	24	37.3 Å²	37.3	9%	0.094	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	148.7	170.1	66.8	-87.4	0	0	0	112	R923 Q932 F946 L950 F961	R923-Y948 VanDerWaalsContact NH1-CE2 3.33Å; Q932-Y948 CarbonylContact O-C 3.52Å; Q932-Y948 WeakPolarHBondContact O-CA 3.12Å; F946-Y948 AromaticContact CD1-CD1 3.73Å; F946-Y948 HydrophobicContact CD1-CD1 3.73Å; F946-Y948 HydrophobicContact CD1-CE1 4.5Å; F946-Y948 AromaticContact CE1-CD1 3.67Å; F946-Y948 HydrophobicContact CE1-CD1 3.67Å; F946-Y948 HydrophobicContact CE1-CG 4.16Å; Y948-L950 HydrophobicContact CD2-CD2 3.92Å; Y948-L950 HydrophobicContact CD2-CG 4.01Å; Y948-L950 HydrophobicContact CE2-CD1 4.11Å; Y948-L950 HydrophobicContact CE2-CD2 4.22Å; Y948-L950 HydrophobicContact CE2-CG 4Å; Y948-F961 HydrophobicContact CD1-CB 3.95Å; Y948-F961 HydrophobicContact CD2-CB 4.14Å; Y948-F961 AromaticContact CD2-CD2 3.82Å; Y948-F961 HydrophobicContact CD2-CD2 3.82Å; Y948-F961 HydrophobicContact CD2-CG 4.24Å; Y948-F961 HydrophobicContact CE1-CB 3.54Å; Y948-F961 HydrophobicContact CE1-CG 4.13Å; Y948-F961 HydrophobicContact CE2-CB 3.73Å; Y948-F961 HydrophobicContact CE2-CD1 4.24Å; Y948-F961 AromaticContact CE2-CD2 3.28Å; Y948-F961 HydrophobicContact CE2-CD2 3.28Å; Y948-F961 AromaticContact CE2-CE2 3.84Å; Y948-F961 HydrophobicContact CE2-CE2 3.84Å; Y948-F961 AromaticContact CE2-CG 3.51Å; Y948-F961 HydrophobicContact CE2-CG 3.51Å; Y948-F961 HydrophobicContact CE2-CZ 4.5Å; Y948-F961 HydrophobicContact CG-CB 4.24Å; Y948-F961 VanDerWaalsContact CZ-CB 3.41Å; Y948-F961 AromaticContact CZ-CD1 3.92Å; Y948-F961 AromaticContact CZ-CD2 3.77Å; Y948-F961 AromaticContact CZ-CG 3.45Å; Y948-F961 VanDerWaalsContact CZ-CG 3.45Å; Y948-F961 PolarHBondContact N-O 3.45Å; Y948-F961 PolarHBondContact O-N 3.17Å; Y948-F961 WeakPolarHBondContact OH-CD1 3.29Å; Y948-F961 WeakPolarHBondContact OH-CG 3.44Å
949	V	94.6	Very high	92	Very high	5 Å²	5	33.1 Å²	33.1	3%	0.03	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	124.9	-176.1	-175.2	0	0	0	0	109.7	L931 Q932 R959 D960 T991	L931-V949 HydrophobicContact CD1-CG1 4.44Å; L931-V949 PolarHBondContact N-O 3.02Å; Q932-V949 HydrophobicContact CB-CB 4.29Å; Q932-V949 HydrophobicContact CB-CG2 4.35Å; Q932-V949 PolarHBondContact O-N 2.94Å; V949-R959 CarbonylContact C-O 3.52Å; V949-R959 WeakPolarHBondContact CA-O 3.45Å; V949-D960 HydrophobicContact CG2-CB 4.39Å; V949-T991 HydrophobicContact CG2-CG2 4.11Å
950	L	93.4	Very high	92.2	Very high	26 Å²	26	31.3 Å²	31.3	14%	0.136	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	140	176.6	-55.9	-174.4	0	0	0	111.5	D927 D929 L930 Y948 S958 R959 F961	D927-L950 WeakPolarHBondContact OD2-CD2 3.32Å; D929-L950 CarbonylContact O-C 3.59Å; D929-L950 WeakPolarHBondContact O-CA 3.17Å; L930-L950 HydrophobicContact CB-CD2 4.33Å; L930-L950 HydrophobicContact CD1-CD2 3.91Å; Y948-L950 HydrophobicContact CD2-CD2 3.92Å; Y948-L950 HydrophobicContact CD2-CG 4.01Å; Y948-L950 HydrophobicContact CE2-CD1 4.11Å; Y948-L950 HydrophobicContact CE2-CD2 4.22Å; Y948-L950 HydrophobicContact CE2-CG 4Å; L950-S958 CarbonylContact O-C 3.6Å; L950-S958 VanDerWaalsContact O-CA 3.32Å; L950-S958 WeakPolarHBondContact O-CA 3.35Å; L950-S958 VanDerWaalsContact O-CB 3.24Å; L950-S958 WeakPolarHBondContact O-CB 3.37Å; L950-R959 PolarHBondContact N-O 3.25Å; L950-R959 PolarHBondContact O-N 3.4Å; L950-F961 HydrophobicContact CB-CE2 4.3Å; L950-F961 HydrophobicContact CD1-CE2 3.72Å; L950-F961 HydrophobicContact CD1-CZ 4.23Å; L950-F961 HydrophobicContact CG-CD2 4.32Å; L950-F961 HydrophobicContact CG-CE2 3.84Å
951	S	91.6	Very high	92.3	Very high	36 Å²	36	29.6 Å²	29.6	25%	0.252	15%	0.154	S	C	.	.			trans	-65.5	162.1	174.3	-161.3	0	0	0	0	112.3	D929	D929-S951 WeakPolarHBondContact O-CB 3.32Å; D929-S951 PolarHBondContact O-N 2.95Å
952	R	89.8	Confident	92.4	Very high	30 Å²	30	20 Å²	20	11%	0.113	11%	0.112	C	C	.	.			trans	-140	161.2	168	-67.4	-58.2	-57.2	163.8	4.2	108.1	G621 E732 P954 H956 P957 R959	G621-R952 PolarHBondContact O-NH1 2.89Å; E732-R952 IonicContact OE1-CZ 2.71Å; E732-R952 IonicContact OE1-NE 2.73Å; E732-R952 IonicContact OE1-NH2 2.8Å; E732-R952 PolarHBondContact OE1-NH2 2.85Å; E732-R952 IonicContact OE2-NH2 3.67Å; R952-P954 WeakPolarHBondContact O-CD 3.39Å; R952-H956 HydrophobicContact CB-CB 4.09Å; R952-P957 WeakPolarHBondContact CG-O 3.29Å; R952-R959 HydrophobicContact CG-CG 4.15Å
953	M	88.5	Confident	92.5	Very high	1 Å²	1	17.6 Å²	17.6	1%	0.005	10%	0.101	C	C	.	.	S	Bend	trans	-60	123.3	175.4	54.8	177.9	-65	0	0	110.9	Q622 P623 L624 Q629 E732 T736 H956	Q622-M953 HydrophobicContact CB-SD 4.47Å; P623-M953 VanDerWaalsContact CD-SD 3.58Å; P623-M953 HydrophobicContact CG-SD 3.72Å; L624-M953 HydrophobicContact CB-CE 3.61Å; L624-M953 HydrophobicContact CB-SD 4.25Å; L624-M953 HydrophobicContact CD2-CE 4.06Å; L624-M953 HydrophobicContact CG-CE 4.49Å; Q629-M953 VanDerWaalsContact OE1-CB 3.3Å; E732-M953 HydrophobicContact CG-CG 4.28Å; E732-M953 HydrophobicContact CG-SD 3.85Å; T736-M953 HydrophobicContact CG2-CE 3.81Å; T736-M953 WeakPolarHBondContact OG1-CE 3.35Å; M953-H956 VanDerWaalsContact O-CB 3.31Å; M953-H956 WeakPolarHBondContact O-CB 3.36Å; M953-H956 PolarHBondContact O-CD2 3.34Å; M953-H956 PolarHBondContact O-N 3.06Å
954	P	83.1	Confident	92.5	Very high	60 Å²	60	17.5 Å²	17.5	39%	0.39	10%	0.101	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	142.1	179.9	-25.3	35.1	0	0	0	111.7	T736 R952	T736-P954 WeakPolarHBondContact CG2-O 3.5Å; R952-P954 WeakPolarHBondContact O-CD 3.39Å
955	P	86.9	Confident	92.5	Very high	59 Å²	59	18 Å²	18	38%	0.383	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	cis	-92.1	15.8	10.1	38.8	-37.5	0	0	0	114.2	C739	C739-P955 HydrophobicContact CB-CG 4.01Å
956	H	90.1	Very high	92.5	Very high	17 Å²	17	18.1 Å²	18.1	8%	0.079	10%	0.103	C	C	.	.	S	Bend	trans	-69.2	132.9	-175.5	-66.5	-88.8	0	0	0	111	E732 Q735 T736 R952 M953	E732-H956 PolarHBondContact O-NE2 3.47Å; Q735-H956 PolarHBondContact OE1-CE1 2.86Å; Q735-H956 VanDerWaalsContact OE1-CE1 3.23Å; T736-H956 PolarHBondContact OG1-NE2 3.31Å; R952-H956 HydrophobicContact CB-CB 4.09Å; M953-H956 VanDerWaalsContact O-CB 3.31Å; M953-H956 WeakPolarHBondContact O-CB 3.36Å; M953-H956 PolarHBondContact O-CD2 3.34Å; M953-H956 PolarHBondContact O-N 3.06Å
957	P	90.5	Very high	92.5	Very high	41 Å²	41	19 Å²	19	27%	0.266	11%	0.106	S	C	.	.	P	Polyproline II helix	trans	-63.7	148.3	-178	23.9	-33.2	0	0	0	111.7	T554 R952 R959 V994	T554-P957 HydrophobicContact CG2-CG 4.46Å; R952-P957 WeakPolarHBondContact CG-O 3.29Å; P957-R959 PolarHBondContact O-NH1 3.33Å; P957-V994 HydrophobicContact CB-CG2 4Å; P957-V994 HydrophobicContact CG-CG2 3.59Å
958	S	92.7	Very high	92.5	Very high	20 Å²	20	20.5 Å²	20.5	14%	0.14	11%	0.111	C	C	.	.	P	Polyproline II helix	trans	-58.4	168.4	176.2	58.5	0	0	0	0	112	L950 G993 V994	L950-S958 CarbonylContact O-C 3.6Å; L950-S958 VanDerWaalsContact O-CA 3.32Å; L950-S958 WeakPolarHBondContact O-CA 3.35Å; L950-S958 VanDerWaalsContact O-CB 3.24Å; L950-S958 WeakPolarHBondContact O-CB 3.37Å; S958-G993 CarbonylContact O-C 3.57Å; S958-G993 WeakPolarHBondContact O-CA 3.41Å; S958-G993 VanDerWaalsContact OG-CA 3.22Å; S958-G993 WeakPolarHBondContact OG-CA 3.23Å; S958-V994 PolarHBondContact O-N 3.29Å
959	R	93.1	Very high	92.4	Very high	13 Å²	13	22.7 Å²	22.7	5%	0.049	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	111.3	177.2	-65.9	-52.7	-168.3	-118.9	25.9	110.4	T554 V949 L950 R952 P957 F961 V994 L1023 K1024	T554-R959 PolarHBondContact O-NH2 3.47Å; V949-R959 CarbonylContact C-O 3.52Å; V949-R959 WeakPolarHBondContact CA-O 3.45Å; L950-R959 PolarHBondContact N-O 3.25Å; L950-R959 PolarHBondContact O-N 3.4Å; R952-R959 HydrophobicContact CG-CG 4.15Å; P957-R959 PolarHBondContact O-NH1 3.33Å; R959-F961 HydrophobicContact CB-CD2 4.41Å; R959-F961 HydrophobicContact CB-CE2 3.61Å; R959-F961 HydrophobicContact CB-CZ 4.13Å; R959-F961 VanDerWaalsContact O-CD2 3.3Å; R959-F961 WeakPolarHBondContact O-CD2 3.45Å; R959-F961 WeakPolarHBondContact O-CE2 3.32Å; R959-V994 WeakPolarHBondContact CA-O 3.34Å; R959-V994 VanDerWaalsContact NH1-CG2 3.33Å; R959-L1023 WeakPolarHBondContact CD-O 3.2Å; R959-L1023 PolarHBondContact NE-O 2.91Å; R959-L1023 PolarHBondContact NH2-O 3.32Å; R959-K1024 PolarHBondContact NH2-O 3.24Å
960	D	93.8	Very high	92	Very high	3 Å²	3	28.2 Å²	28.2	2%	0.016	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	130.8	177.9	175.5	44.5	0	0	0	110	Q947 V949 V994 R995 A996	Q947-D960 WeakPolarHBondContact CG-OD1 3.21Å; Q947-D960 PolarHBondContact NE2-OD1 2.87Å; Q947-D960 PolarHBondContact NE2-OD2 2.68Å; V949-D960 HydrophobicContact CG2-CB 4.39Å; D960-V994 PolarHBondContact N-O 2.82Å; D960-R995 CarbonylContact O-C 3.58Å; D960-R995 WeakPolarHBondContact O-CA 3.33Å; D960-R995 VanDerWaalsContact OD2-CD 3.22Å; D960-R995 WeakPolarHBondContact OD2-CD 3.46Å; D960-R995 IonicContact OD2-CZ 3.95Å; D960-R995 IonicContact OD2-NE 3.21Å; D960-R995 IonicContact OD2-NH1 3.82Å; D960-R995 PolarHBondContact OD2-NH1 3.2Å; D960-A996 PolarHBondContact O-N 3.07Å
961	F	94.3	Very high	91.9	Very high	7 Å²	7	28.1 Å²	28.1	3%	0.031	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	117.7	-179.1	-62.3	-100.2	0	0	0	108.9	Q947 Y948 L950 R959 A996 I998 V1021 L1023	Q947-F961 CarbonylContact C-O 3.44Å; Q947-F961 VanDerWaalsContact CA-O 3.24Å; Q947-F961 WeakPolarHBondContact CA-O 3.44Å; Y948-F961 HydrophobicContact CD1-CB 3.95Å; Y948-F961 HydrophobicContact CD2-CB 4.14Å; Y948-F961 AromaticContact CD2-CD2 3.82Å; Y948-F961 HydrophobicContact CD2-CD2 3.82Å; Y948-F961 HydrophobicContact CD2-CG 4.24Å; Y948-F961 HydrophobicContact CE1-CB 3.54Å; Y948-F961 HydrophobicContact CE1-CG 4.13Å; Y948-F961 HydrophobicContact CE2-CB 3.73Å; Y948-F961 HydrophobicContact CE2-CD1 4.24Å; Y948-F961 AromaticContact CE2-CD2 3.28Å; Y948-F961 HydrophobicContact CE2-CD2 3.28Å; Y948-F961 AromaticContact CE2-CE2 3.84Å; Y948-F961 HydrophobicContact CE2-CE2 3.84Å; Y948-F961 AromaticContact CE2-CG 3.51Å; Y948-F961 HydrophobicContact CE2-CG 3.51Å; Y948-F961 HydrophobicContact CE2-CZ 4.5Å; Y948-F961 HydrophobicContact CG-CB 4.24Å; Y948-F961 VanDerWaalsContact CZ-CB 3.41Å; Y948-F961 AromaticContact CZ-CD1 3.92Å; Y948-F961 AromaticContact CZ-CD2 3.77Å; Y948-F961 AromaticContact CZ-CG 3.45Å; Y948-F961 VanDerWaalsContact CZ-CG 3.45Å; Y948-F961 PolarHBondContact N-O 3.45Å; Y948-F961 PolarHBondContact O-N 3.17Å; Y948-F961 WeakPolarHBondContact OH-CD1 3.29Å; Y948-F961 WeakPolarHBondContact OH-CG 3.44Å; L950-F961 HydrophobicContact CB-CE2 4.3Å; L950-F961 HydrophobicContact CD1-CE2 3.72Å; L950-F961 HydrophobicContact CD1-CZ 4.23Å; L950-F961 HydrophobicContact CG-CD2 4.32Å; L950-F961 HydrophobicContact CG-CE2 3.84Å; R959-F961 HydrophobicContact CB-CD2 4.41Å; R959-F961 HydrophobicContact CB-CE2 3.61Å; R959-F961 HydrophobicContact CB-CZ 4.13Å; R959-F961 VanDerWaalsContact O-CD2 3.3Å; R959-F961 WeakPolarHBondContact O-CD2 3.45Å; R959-F961 WeakPolarHBondContact O-CE2 3.32Å; F961-A996 HydrophobicContact CD1-CB 3.65Å; F961-A996 HydrophobicContact CD2-CB 4.47Å; F961-A996 HydrophobicContact CE1-CB 3.34Å; F961-A996 HydrophobicContact CE2-CB 4.2Å; F961-A996 HydrophobicContact CG-CB 4.23Å; F961-A996 HydrophobicContact CZ-CB 3.65Å; F961-I998 HydrophobicContact CD1-CD1 3.93Å; F961-I998 HydrophobicContact CD1-CG1 3.95Å; F961-I998 HydrophobicContact CE1-CG1 4.45Å; F961-V1021 HydrophobicContact CE1-CG1 4.04Å; F961-L1023 HydrophobicContact CE1-CD2 4.15Å; F961-L1023 HydrophobicContact CZ-CD2 3.77Å
962	V	94.8	Very high	91.6	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	128.8	163.5	174.9	0	0	0	0	107.8	V945 Q947 S982 I983 H985	V945-V962 HydrophobicContact CG1-CG1 3.95Å; Q947-V962 HydrophobicContact CB-CG2 3.98Å; Q947-V962 HydrophobicContact CG-CG2 3.67Å; V962-S982 VanDerWaalsContact O-CA 3.24Å; V962-S982 WeakPolarHBondContact O-CA 3.4Å; V962-S982 WeakPolarHBondContact O-CB 3.2Å; V962-S982 PolarHBondContact O-OG 2.9Å; V962-S982 VanDerWaalsContact O-OG 3.09Å; V962-I983 HydrophobicContact CG1-CG1 4.03Å; V962-I983 PolarHBondContact O-N 3.27Å; V962-H985 HydrophobicContact CG1-CB 4.41Å
963	A	94.7	Very high	91.4	Very high	3 Å²	3	38.3 Å²	38.3	3%	0.025	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	129.3	-176.2	0	0	0	0	0	111.9	F946 V981 I998	F946-A963 PolarHBondContact N-O 3.44Å; F946-A963 PolarHBondContact O-N 3.36Å; A963-V981 CarbonylContact C-O 3.56Å; A963-V981 VanDerWaalsContact CA-O 3.27Å; A963-V981 WeakPolarHBondContact CA-O 3.48Å; A963-I998 HydrophobicContact CB-CD1 4.09Å
964	L	95.3	Very high	91.4	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.005	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	119.8	158.4	176.8	59.7	0	0	0	107.3	L844 L859 L939 T943 V945 S980 V981 I983	L844-L964 HydrophobicContact CD1-CD2 4.08Å; L859-L964 HydrophobicContact CD1-CD1 4.37Å; L859-L964 HydrophobicContact CD1-CD2 4.07Å; L859-L964 HydrophobicContact CD1-CG 4.15Å; L859-L964 HydrophobicContact CD2-CD2 4.26Å; L859-L964 HydrophobicContact CD2-CG 4.28Å; L859-L964 HydrophobicContact CG-CD2 4.38Å; L939-L964 HydrophobicContact CD1-CD1 3.49Å; L939-L964 VanDerWaalsContact CD1-CD1 3.49Å; T943-L964 HydrophobicContact CG2-CD1 3.81Å; V945-L964 HydrophobicContact CG2-CD1 4.34Å; L964-S980 WeakPolarHBondContact O-CA 3.29Å; L964-V981 HydrophobicContact CB-CG1 4.23Å; L964-V981 PolarHBondContact N-O 3.44Å; L964-V981 PolarHBondContact O-N 3.39Å; L964-I983 HydrophobicContact CB-CD1 4.15Å; L964-I983 HydrophobicContact CB-CG1 4.27Å; L964-I983 HydrophobicContact CB-CG2 3.83Å; L964-I983 HydrophobicContact CD2-CG2 4.42Å
965	R	95.2	Very high	91.9	Very high	15 Å²	15	37.7 Å²	37.7	6%	0.057	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	134.7	-176.9	68.8	-178.1	-171.3	163	2.3	112.2	L920 T943 E944 F946 W967 L978 V979 S980	L920-R965 PolarHBondContact O-NH1 2.91Å; L920-R965 VanDerWaalsContact O-NH1 3.13Å; L920-R965 PolarHBondContact O-NH2 3.44Å; T943-R965 WeakPolarHBondContact CA-O 3.26Å; E944-R965 HydrophobicContact CG-CG 3.85Å; E944-R965 PolarHBondContact N-O 3.41Å; E944-R965 PolarHBondContact O-N 3.27Å; E944-R965 IonicContact OE1-CZ 3.79Å; E944-R965 IonicContact OE1-NE 2.88Å; E944-R965 PolarHBondContact OE1-NE 3.47Å; E944-R965 IonicContact OE1-NH2 2.81Å; E944-R965 PolarHBondContact OE1-NH2 3.44Å; F946-R965 HydrophobicContact CB-CG 4.24Å; F946-R965 VanDerWaalsContact CB-NE 3.35Å; F946-R965 VanDerWaalsContact CG-CZ 3.44Å; R965-W967 HydrophobicContact CG-CZ3 4.42Å; R965-L978 HydrophobicContact CB-CD1 4.04Å; R965-V979 WeakPolarHBondContact CA-O 3.35Å; R965-S980 WeakPolarHBondContact CB-OG 3.36Å
966	S	95.3	Very high	92.3	Very high	1 Å²	1	35 Å²	35	1%	0.007	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	144.4	-179.7	-165.9	0	0	0	0	111.6	Q942 T943 R968 L978 V979	Q942-S966 CarbonylContact O-C 3.56Å; Q942-S966 WeakPolarHBondContact O-CA 3.39Å; Q942-S966 PolarHBondContact O-OG 3.05Å; T943-S966 WeakPolarHBondContact OG1-CB 3.22Å; T943-S966 PolarHBondContact OG1-OG 3.05Å; S966-R968 PolarHBondContact OG-NH1 3.08Å; S966-L978 CarbonylContact O-C 3.51Å; S966-L978 WeakPolarHBondContact O-CA 3.27Å; S966-V979 PolarHBondContact N-O 3.38Å; S966-V979 PolarHBondContact O-N 3.04Å
967	W	95.8	Very high	92.6	Very high	31 Å²	31	34.1 Å²	34.1	12%	0.117	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	157	-176	58.1	89.7	0	0	0	113.8	L916 L920 R921 Q942 E944 R965 S977 L978	L916-W967 HydrophobicContact CD1-CB 4.28Å; L916-W967 HydrophobicContact CD2-CB 4.26Å; L916-W967 HydrophobicContact CD2-CG 4.4Å; L920-W967 HydrophobicContact CD1-CB 4.37Å; L920-W967 HydrophobicContact CD1-CD2 3.63Å; L920-W967 HydrophobicContact CD1-CE3 3.97Å; L920-W967 HydrophobicContact CD1-CG 3.81Å; L920-W967 HydrophobicContact CD2-CD2 4.29Å; L920-W967 HydrophobicContact CD2-CE3 3.77Å; L920-W967 HydrophobicContact CD2-CZ3 4.2Å; R921-W967 VanDerWaalsContact NH2-CH2 3.34Å; Q942-W967 WeakPolarHBondContact CB-O 3.29Å; Q942-W967 VanDerWaalsContact O-CD2 3.26Å; Q942-W967 PolarHBondContact O-N 2.96Å; Q942-W967 PolarHBondContact OE1-O 3Å; E944-W967 HydrophobicContact CB-CH2 4.48Å; E944-W967 HydrophobicContact CG-CH2 4.19Å; E944-W967 HydrophobicContact CG-CZ3 3.98Å; R965-W967 HydrophobicContact CG-CZ3 4.42Å; W967-S977 CarbonylContact C-O 3.53Å; W967-S977 WeakPolarHBondContact CA-O 3.28Å; W967-S977 VanDerWaalsContact CB-O 3.25Å; W967-S977 WeakPolarHBondContact CB-O 3.32Å; W967-L978 HydrophobicContact CB-CB 4.37Å; W967-L978 HydrophobicContact CB-CD1 4.34Å; W967-L978 HydrophobicContact CE3-CD1 4.43Å
968	R	94.6	Very high	92.9	Very high	38 Å²	38	32.4 Å²	32.4	14%	0.143	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	143.3	172	-56.3	-64.4	175.7	-96.8	-5.5	109.7	E860 L863 Q942 S966 L971 C976 S977	E860-R968 IonicContact OE2-CZ 3.29Å; E860-R968 IonicContact OE2-NE 3.21Å; E860-R968 PolarHBondContact OE2-NE 3.08Å; E860-R968 IonicContact OE2-NH2 3.29Å; E860-R968 PolarHBondContact OE2-NH2 2.98Å; L863-R968 HydrophobicContact CD2-CG 3.52Å; Q942-R968 VanDerWaalsContact OE1-CD 3.3Å; S966-R968 PolarHBondContact OG-NH1 3.08Å; R968-L971 HydrophobicContact CB-CD1 4.23Å; R968-L971 HydrophobicContact CB-CD2 3.92Å; R968-L971 HydrophobicContact CB-CG 3.87Å; R968-L971 HydrophobicContact CG-CD2 4.33Å; R968-C976 WeakPolarHBondContact O-CA 3.29Å; R968-S977 PolarHBondContact N-O 3.43Å; R968-S977 PolarHBondContact O-N 3.13Å
969	T	92.8	Very high	93.1	Very high	70 Å²	70	31.7 Å²	31.7	43%	0.429	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	-6.8	-176.5	45.7	0	0	0	0	113.5	L916	L916-T969 HydrophobicContact CD2-CG2 3.52Å
970	D	86.9	Confident	93.2	Very high	120 Å²	120	31.6 Å²	31.6	64%	0.642	17%	0.174	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-115.3	19	-165.7	52.1	-45.3	0	0	0	111.8
971	L	89.9	Confident	93.2	Very high	25 Å²	25	31.8 Å²	31.8	13%	0.131	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	154.2	-177.5	-62.5	177.3	0	0	0	112.2	L867 R968 K973 G974 A975 S977	L867-L971 HydrophobicContact CD1-CD1 4.4Å; L867-L971 HydrophobicContact CD1-CD2 4.3Å; L867-L971 HydrophobicContact CD2-CD1 4.29Å; R968-L971 HydrophobicContact CB-CD1 4.23Å; R968-L971 HydrophobicContact CB-CD2 3.92Å; R968-L971 HydrophobicContact CB-CG 3.87Å; R968-L971 HydrophobicContact CG-CD2 4.33Å; L971-K973 PolarHBondContact O-N 2.8Å; L971-G974 PolarHBondContact O-N 3.43Å; L971-A975 HydrophobicContact CB-CB 4.09Å; L971-A975 WeakPolarHBondContact CB-O 3.46Å; L971-A975 PolarHBondContact N-O 3.08Å; L971-A975 PolarHBondContact O-N 2.86Å; L971-S977 VanDerWaalsContact CD1-CB 3.45Å
972	P	86	Confident	93.2	Very high	96 Å²	96	31.6 Å²	31.6	62%	0.623	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.4	136.7	-179.1	-30.1	36	0	0	0	113.6	G974	P972-G974 VanDerWaalsContact C-N 3.3Å
973	K	85.1	Confident	93.1	Very high	184 Å²	184	31.6 Å²	31.6	80%	0.8	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.5	16	-173.3	-47.4	178.2	-178.6	179	0	115.4	L971 P1007	L971-K973 PolarHBondContact O-N 2.8Å; K973-P1007 WeakPolarHBondContact O-CG 3.31Å
974	G	88.8	Confident	92.8	Very high	46 Å²	46	35.1 Å²	35.1	47%	0.474	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	74	29.2	179.9	0	0	0	0	0	112.9	L971 P972	L971-G974 PolarHBondContact O-N 3.43Å; P972-G974 VanDerWaalsContact C-N 3.3Å
975	A	93.6	Very high	92.4	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.008	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	159.1	173	0	0	0	0	0	111	L971 L1004 L1005 E1006	L971-A975 HydrophobicContact CB-CB 4.09Å; L971-A975 WeakPolarHBondContact CB-O 3.46Å; L971-A975 PolarHBondContact N-O 3.08Å; L971-A975 PolarHBondContact O-N 2.86Å; A975-L1004 HydrophobicContact CB-CD1 4.49Å; A975-L1005 CarbonylContact C-O 3.58Å; A975-L1005 VanDerWaalsContact CA-O 3.24Å; A975-L1005 WeakPolarHBondContact CA-O 3.36Å; A975-L1005 WeakPolarHBondContact CB-O 3.36Å; A975-E1006 HydrophobicContact CB-CG 4.11Å
976	C	96.1	Very high	91.6	Very high	2 Å²	2	45.2 Å²	45.2	1%	0.014	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	152.6	171.1	-68.6	0	0	0	0	109.9	P912 L916 R968 L1005	P912-C976 HydrophobicContact CB-CB 4.06Å; L916-C976 HydrophobicContact CB-CB 4.3Å; L916-C976 HydrophobicContact CD2-CB 4.21Å; R968-C976 WeakPolarHBondContact O-CA 3.29Å; C976-L1005 HydrophobicContact CB-CB 4.14Å; C976-L1005 HydrophobicContact CB-CD1 4.12Å; C976-L1005 PolarHBondContact N-O 3.23Å; C976-L1005 PolarHBondContact O-N 3.18Å
977	S	96	Very high	90.4	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	150.6	177.7	-171.3	0	0	0	0	111.3	L863 F866 W967 R968 L971 Y1003	L863-S977 VanDerWaalsContact CD1-OG 3.25Å; L863-S977 WeakPolarHBondContact CD1-OG 3.49Å; F866-S977 WeakPolarHBondContact CE1-OG 3.39Å; W967-S977 CarbonylContact C-O 3.53Å; W967-S977 WeakPolarHBondContact CA-O 3.28Å; W967-S977 VanDerWaalsContact CB-O 3.25Å; W967-S977 WeakPolarHBondContact CB-O 3.32Å; R968-S977 PolarHBondContact N-O 3.43Å; R968-S977 PolarHBondContact O-N 3.13Å; L971-S977 VanDerWaalsContact CD1-CB 3.45Å; S977-Y1003 CarbonylContact C-O 3.52Å; S977-Y1003 VanDerWaalsContact CA-O 3.24Å; S977-Y1003 WeakPolarHBondContact CA-O 3.43Å; S977-Y1003 PolarHBondContact OG-O 3.04Å
978	L	96.4	Very high	88.9	Confident	4 Å²	4	49.3 Å²	49.3	2%	0.021	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	124.4	173.4	162.6	62.6	0	0	0	108.1	L916 V919 L920 R965 S966 W967 N1002 Y1003	L916-L978 HydrophobicContact CD1-CB 3.84Å; V919-L978 HydrophobicContact CG1-CD2 3.91Å; L920-L978 HydrophobicContact CD2-CD1 3.78Å; L920-L978 HydrophobicContact CD2-CD2 3.74Å; L920-L978 HydrophobicContact CD2-CG 4.37Å; L920-L978 HydrophobicContact CG-CD2 4.21Å; R965-L978 HydrophobicContact CB-CD1 4.04Å; S966-L978 CarbonylContact O-C 3.51Å; S966-L978 WeakPolarHBondContact O-CA 3.27Å; W967-L978 HydrophobicContact CB-CB 4.37Å; W967-L978 HydrophobicContact CB-CD1 4.34Å; W967-L978 HydrophobicContact CE3-CD1 4.43Å; L978-N1002 CarbonylContact O-C 3.57Å; L978-N1002 WeakPolarHBondContact O-CA 3.38Å; L978-Y1003 HydrophobicContact CD2-CD2 4.13Å; L978-Y1003 HydrophobicContact CG-CD2 4.46Å; L978-Y1003 PolarHBondContact N-O 2.93Å; L978-Y1003 PolarHBondContact O-N 3.31Å
979	V	95.8	Very high	87.3	Confident	5 Å²	5	51.5 Å²	51.5	3%	0.03	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	139.3	174.1	-64.6	0	0	0	0	109.9	L859 L863 F866 R965 S966 N1002	L859-V979 HydrophobicContact CD2-CG2 4.44Å; L863-V979 HydrophobicContact CB-CG1 4.34Å; L863-V979 HydrophobicContact CD1-CG1 3.82Å; F866-V979 HydrophobicContact CD1-CG1 4.19Å; R965-V979 WeakPolarHBondContact CA-O 3.35Å; S966-V979 PolarHBondContact N-O 3.38Å; S966-V979 PolarHBondContact O-N 3.04Å; V979-N1002 VanDerWaalsContact CA-OD1 3.26Å; V979-N1002 WeakPolarHBondContact CA-OD1 3.47Å; V979-N1002 WeakPolarHBondContact CB-OD1 3.41Å; V979-N1002 HydrophobicContact CG1-CB 4.38Å; V979-N1002 WeakPolarHBondContact CG1-OD1 3.02Å
980	S	95.4	Very high	85.6	Confident	12 Å²	12	53 Å²	53	8%	0.084	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	142.3	-178.5	-52.3	0	0	0	0	112.4	L964 R965 S1001 N1002	L964-S980 WeakPolarHBondContact O-CA 3.29Å; R965-S980 WeakPolarHBondContact CB-OG 3.36Å; S980-S1001 WeakPolarHBondContact CB-O 3.48Å; S980-S1001 PolarHBondContact N-O 3.31Å; S980-S1001 PolarHBondContact O-N 3.47Å; S980-S1001 VanDerWaalsContact O-N 3.11Å; S980-N1002 PolarHBondContact N-OD1 3.22Å
981	V	94.4	Very high	84.4	Confident	6 Å²	6	49.2 Å²	49.2	4%	0.036	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	145.4	176.1	65.7	0	0	0	0	110	L844 A963 L964	L844-V981 HydrophobicContact CD1-CG1 4.14Å; A963-V981 CarbonylContact C-O 3.56Å; A963-V981 VanDerWaalsContact CA-O 3.27Å; A963-V981 WeakPolarHBondContact CA-O 3.48Å; L964-V981 HydrophobicContact CB-CG1 4.23Å; L964-V981 PolarHBondContact N-O 3.44Å; L964-V981 PolarHBondContact O-N 3.39Å
982	S	94.6	Very high	83.3	Confident	3 Å²	3	57.2 Å²	57.2	2%	0.021	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	143.8	177.5	-79.5	0	0	0	0	113	V962 I998	V962-S982 VanDerWaalsContact O-CA 3.24Å; V962-S982 WeakPolarHBondContact O-CA 3.4Å; V962-S982 WeakPolarHBondContact O-CB 3.2Å; V962-S982 PolarHBondContact O-OG 2.9Å; V962-S982 VanDerWaalsContact O-OG 3.09Å; S982-I998 PolarHBondContact N-O 2.95Å; S982-I998 WeakPolarHBondContact OG-CB 3.46Å; S982-I998 PolarHBondContact OG-N 3.2Å
983	I	92.3	Very high	83	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	30%	0.303	C	S	.	.			trans	-136.2	159.9	175.8	62.9	161.5	0	0	0	112.2	P839 I841 L844 V945 V962 L964 H985	P839-I983 CarbonylContact O-C 3.51Å; P839-I983 WeakPolarHBondContact O-CA 3.24Å; P839-I983 WeakPolarHBondContact O-CB 3.32Å; I841-I983 HydrophobicContact CD1-CD1 3.82Å; I841-I983 HydrophobicContact CG1-CD1 3.63Å; L844-I983 HydrophobicContact CD1-CG2 3.62Å; V945-I983 HydrophobicContact CG1-CD1 3.9Å; V945-I983 HydrophobicContact CG1-CG1 4.42Å; V945-I983 HydrophobicContact CG2-CD1 3.78Å; V962-I983 HydrophobicContact CG1-CG1 4.03Å; V962-I983 PolarHBondContact O-N 3.27Å; L964-I983 HydrophobicContact CB-CD1 4.15Å; L964-I983 HydrophobicContact CB-CG1 4.27Å; L964-I983 HydrophobicContact CB-CG2 3.83Å; L964-I983 HydrophobicContact CD2-CG2 4.42Å; I983-H985 HydrophobicContact CD1-CB 4.36Å
984	E	88.2	Confident	83.2	Confident	78 Å²	78	45.3 Å²	45.3	36%	0.364	27%	0.267	S	S	.	.			trans	-88.1	139.7	160.6	-61.2	-174.5	177.7	0	0	109.1	A838 P839	A838-E984 HydrophobicContact CB-CG 3.64Å; A838-E984 VanDerWaalsContact O-CD 3.28Å; A838-E984 WeakPolarHBondContact O-CG 3.48Å; P839-E984 PolarHBondContact O-N 3.42Å
985	H	86.3	Confident	83.3	Confident	33 Å²	33	46.2 Å²	46.2	15%	0.153	26%	0.256	C	S	.	.			trans	-151.4	137.9	-173.8	-176.4	-74.9	0	0	0	109.9	E937 V945 V962 I983 D987 S988	E937-H985 IonicContact OE2-NE2 3.45Å; V945-H985 HydrophobicContact CG1-CB 4.42Å; V962-H985 HydrophobicContact CG1-CB 4.41Å; I983-H985 HydrophobicContact CD1-CB 4.36Å; H985-D987 IonicContact CE1-OD2 3.74Å; H985-D987 PolarHBondContact CE1-OD2 3.49Å; H985-D987 PolarHBondContact ND1-N 3.38Å; H985-D987 PolarHBondContact O-N 3.03Å; H985-S988 WeakPolarHBondContact O-CB 3.42Å; H985-S988 PolarHBondContact O-N 3.48Å; H985-S988 VanDerWaalsContact O-N 3.1Å; H985-S988 PolarHBondContact O-OG 2.87Å
986	E	79.3	Confident	83.3	Confident	194 Å²	194	46.2 Å²	46.2	91%	0.907	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-46.4	-169.3	-57.2	-164.1	152.6	0	0	113	S988	E986-S988 PolarHBondContact O-N 2.69Å
987	D	69.3	Low	83.2	Confident	107 Å²	107	46.5 Å²	46.5	57%	0.572	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	3.2	175.7	-60.9	-53.9	0	0	0	115.4	K934 H985 S989	K934-D987 PolarHBondContact NZ-O 3.28Å; H985-D987 IonicContact CE1-OD2 3.74Å; H985-D987 PolarHBondContact CE1-OD2 3.49Å; H985-D987 PolarHBondContact ND1-N 3.38Å; H985-D987 PolarHBondContact O-N 3.03Å; D987-S989 VanDerWaalsContact C-N 3.26Å; D987-S989 PolarHBondContact O-N 3.17Å
988	S	64.4	Low	83.1	Confident	12 Å²	12	46.7 Å²	46.7	8%	0.084	26%	0.258	C	S	.	.			trans	-91.2	61	173.9	71	0	0	0	0	111.6	H985 E986 A990 R995	H985-S988 WeakPolarHBondContact O-CB 3.42Å; H985-S988 PolarHBondContact O-N 3.48Å; H985-S988 VanDerWaalsContact O-N 3.1Å; H985-S988 PolarHBondContact O-OG 2.87Å; E986-S988 PolarHBondContact O-N 2.69Å; S988-A990 PolarHBondContact O-N 3.02Å; S988-R995 PolarHBondContact OG-NH2 3.42Å
989	S	61.2	Low	83	Confident	83 Å²	83	48.4 Å²	48.4	58%	0.58	27%	0.268	S	S	*	.			trans	-44.6	132.3	170.6	52.3	0	0	0	0	110.5	D987 T991	D987-S989 VanDerWaalsContact C-N 3.26Å; D987-S989 PolarHBondContact O-N 3.17Å; S989-T991 PolarHBondContact O-N 3.24Å; S989-T991 PolarHBondContact O-OG1 3.49Å
990	A	58.3	Low	82.8	Confident	102 Å²	102	48.9 Å²	48.9	84%	0.843	27%	0.269	S	S	*	.			trans	-60.1	101.7	-175	0	0	0	0	0	109.6	S988	S988-A990 PolarHBondContact O-N 3.02Å
991	T	61.1	Low	82.9	Confident	40 Å²	40	49 Å²	49	25%	0.245	27%	0.271	C	S	.	.			trans	-71.8	159	174.7	-52.5	0	0	0	0	108.3	Q947 V949 S989 G993	Q947-T991 PolarHBondContact NE2-OG1 3.21Å; V949-T991 HydrophobicContact CG2-CG2 4.11Å; S989-T991 PolarHBondContact O-N 3.24Å; S989-T991 PolarHBondContact O-OG1 3.49Å; T991-G993 PolarHBondContact O-N 3.04Å
992	E	66.5	Low	82.9	Confident	194 Å²	194	49 Å²	49	91%	0.907	27%	0.27	S	S	*	.	S	Bend	trans	-67	20	-168.6	-149.4	173.6	-165.6	0	0	115.7
993	G	79.7	Confident	83	Confident	21 Å²	21	49.3 Å²	49.3	22%	0.216	27%	0.271	C	S	.	.	S	Bend	trans	-119.8	-176.4	-179.5	0	0	0	0	0	113.6	S958 T991	S958-G993 CarbonylContact O-C 3.57Å; S958-G993 WeakPolarHBondContact O-CA 3.41Å; S958-G993 VanDerWaalsContact OG-CA 3.22Å; S958-G993 WeakPolarHBondContact OG-CA 3.23Å; T991-G993 PolarHBondContact O-N 3.04Å
994	V	89.8	Confident	83.2	Confident	9 Å²	9	49.4 Å²	49.4	6%	0.055	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	128.3	177.8	-172.8	0	0	0	0	109.7	N555 P957 S958 R959 D960 A996 K1024	N555-V994 HydrophobicContact CB-CG1 4.38Å; N555-V994 WeakPolarHBondContact OD1-CG2 3.31Å; P957-V994 HydrophobicContact CB-CG2 4Å; P957-V994 HydrophobicContact CG-CG2 3.59Å; S958-V994 PolarHBondContact O-N 3.29Å; R959-V994 WeakPolarHBondContact CA-O 3.34Å; R959-V994 VanDerWaalsContact NH1-CG2 3.33Å; D960-V994 PolarHBondContact N-O 2.82Å; V994-A996 PolarHBondContact O-N 2.91Å; V994-K1024 HydrophobicContact CG1-CB 4Å
995	R	90.7	Very high	83.6	Confident	65 Å²	65	45.7 Å²	45.7	25%	0.245	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	114.1	175.3	-161.9	70.3	146	-130.1	-16.1	110.8	D960 S988	D960-R995 CarbonylContact O-C 3.58Å; D960-R995 WeakPolarHBondContact O-CA 3.33Å; D960-R995 VanDerWaalsContact OD2-CD 3.22Å; D960-R995 WeakPolarHBondContact OD2-CD 3.46Å; D960-R995 IonicContact OD2-CZ 3.95Å; D960-R995 IonicContact OD2-NE 3.21Å; D960-R995 IonicContact OD2-NH1 3.82Å; D960-R995 PolarHBondContact OD2-NH1 3.2Å; S988-R995 PolarHBondContact OG-NH2 3.42Å
996	A	93.3	Very high	84	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	26%	0.259	C	S	.	.			trans	-90.4	152.6	174.1	0	0	0	0	0	111.2	D960 F961 V994 D1022	D960-A996 PolarHBondContact O-N 3.07Å; F961-A996 HydrophobicContact CD1-CB 3.65Å; F961-A996 HydrophobicContact CD2-CB 4.47Å; F961-A996 HydrophobicContact CE1-CB 3.34Å; F961-A996 HydrophobicContact CE2-CB 4.2Å; F961-A996 HydrophobicContact CG-CB 4.23Å; F961-A996 HydrophobicContact CZ-CB 3.65Å; V994-A996 PolarHBondContact O-N 2.91Å; A996-D1022 WeakPolarHBondContact CA-O 3.23Å
997	M	93.6	Very high	84.7	Confident	8 Å²	8	40.4 Å²	40.4	4%	0.039	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	102	-166.9	-75	-56.4	-51.2	0	0	112.1	L836 H837 A838 L999 V1021 D1022	L836-M997 HydrophobicContact CB-CB 4.34Å; L836-M997 HydrophobicContact CB-CG 3.97Å; L836-M997 WeakPolarHBondContact O-CG 3.43Å; H837-M997 WeakPolarHBondContact O-CE 3.48Å; A838-M997 HydrophobicContact CB-CE 3.73Å; A838-M997 HydrophobicContact CB-SD 3.79Å; M997-L999 PolarHBondContact O-N 2.89Å; M997-V1021 CarbonylContact O-C 3.46Å; M997-V1021 WeakPolarHBondContact O-CA 3.5Å; M997-D1022 HydrophobicContact CB-CB 4.17Å; M997-D1022 PolarHBondContact N-O 3.44Å; M997-D1022 PolarHBondContact O-N 3.37Å
998	I	95.3	Very high	85.6	Confident	4 Å²	4	38 Å²	38	2%	0.021	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	99.2	172.5	-57	169.9	0	0	0	108.5	F961 A963 S982 E1000 V1021	F961-I998 HydrophobicContact CD1-CD1 3.93Å; F961-I998 HydrophobicContact CD1-CG1 3.95Å; F961-I998 HydrophobicContact CE1-CG1 4.45Å; A963-I998 HydrophobicContact CB-CD1 4.09Å; S982-I998 PolarHBondContact N-O 2.95Å; S982-I998 WeakPolarHBondContact OG-CB 3.46Å; S982-I998 PolarHBondContact OG-N 3.2Å; I998-E1000 VanDerWaalsContact C-N 3.29Å; I998-E1000 VanDerWaalsContact CG2-C 3.48Å; I998-V1021 HydrophobicContact CG1-CG1 4.13Å; I998-V1021 HydrophobicContact CG1-CG2 4.25Å; I998-V1021 HydrophobicContact CG2-CG2 4.4Å
999	L	92.8	Very high	86.3	Confident	41 Å²	41	39.3 Å²	39.3	22%	0.215	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	-36.9	167.7	-54.1	178.3	0	0	0	109.7	L836 R862 L899 M997 R1020	L836-L999 HydrophobicContact CD1-CD1 4.48Å; L836-L999 HydrophobicContact CD1-CD2 4.49Å; R862-L999 PolarHBondContact NH1-O 3.18Å; R862-L999 PolarHBondContact NH2-O 2.84Å; R862-L999 VanDerWaalsContact NH2-O 3.13Å; L899-L999 HydrophobicContact CD1-CD1 4.23Å; M997-L999 PolarHBondContact O-N 2.89Å; L999-R1020 WeakPolarHBondContact CB-O 3.47Å; L999-R1020 HydrophobicContact CD1-CG 4.28Å; L999-R1020 PolarHBondContact N-O 2.86Å; L999-R1020 VanDerWaalsContact N-O 3.1Å
1000	E	92.9	Very high	87.3	Confident	14 Å²	14	41.2 Å²	41.2	7%	0.065	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	130.8	177.3	-169.8	179.4	-175.4	0	0	111.5	R901 I998 N1002 R1020	R901-E1000 IonicContact CZ-OE1 2.66Å; R901-E1000 IonicContact CZ-OE2 2.66Å; R901-E1000 IonicContact NE-OE1 3.88Å; R901-E1000 IonicContact NE-OE2 2.85Å; R901-E1000 PolarHBondContact NE-OE2 2.87Å; R901-E1000 IonicContact NH2-OE1 3.67Å; R901-E1000 IonicContact NH2-OE2 2.71Å; R901-E1000 PolarHBondContact NH2-OE2 2.94Å; I998-E1000 VanDerWaalsContact C-N 3.29Å; I998-E1000 VanDerWaalsContact CG2-C 3.48Å; E1000-N1002 HydrophobicContact CG-CB 4.37Å; E1000-N1002 WeakPolarHBondContact CG-ND2 3.45Å; E1000-N1002 PolarHBondContact OE1-ND2 2.94Å; E1000-R1020 HydrophobicContact CB-CB 4.2Å; E1000-R1020 PolarHBondContact N-O 2.9Å; E1000-R1020 PolarHBondContact O-N 2.91Å
1001	S	96	Very high	88.5	Confident	16 Å²	16	38.8 Å²	38.8	11%	0.112	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	98.8	161.9	-171.9	0	0	0	0	108.8	S980 H1017	S980-S1001 WeakPolarHBondContact CB-O 3.48Å; S980-S1001 PolarHBondContact N-O 3.31Å; S980-S1001 PolarHBondContact O-N 3.47Å; S980-S1001 VanDerWaalsContact O-N 3.11Å; S1001-H1017 PolarHBondContact OG-NE2 3.46Å
1002	N	96	Very high	90	Very high	4 Å²	4	39.8 Å²	39.8	2%	0.021	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	124.6	-169	-67.3	-18	0	0	0	110.5	F866 L978 V979 S980 E1000 H1017 I1018	F866-N1002 HydrophobicContact CD1-CB 4.08Å; F866-N1002 HydrophobicContact CD2-CB 3.47Å; F866-N1002 VanDerWaalsContact CD2-CB 3.47Å; F866-N1002 HydrophobicContact CE1-CB 4.01Å; F866-N1002 HydrophobicContact CE2-CB 3.4Å; F866-N1002 HydrophobicContact CG-CB 3.82Å; F866-N1002 HydrophobicContact CZ-CB 3.67Å; L978-N1002 CarbonylContact O-C 3.57Å; L978-N1002 WeakPolarHBondContact O-CA 3.38Å; V979-N1002 VanDerWaalsContact CA-OD1 3.26Å; V979-N1002 WeakPolarHBondContact CA-OD1 3.47Å; V979-N1002 WeakPolarHBondContact CB-OD1 3.41Å; V979-N1002 HydrophobicContact CG1-CB 4.38Å; V979-N1002 WeakPolarHBondContact CG1-OD1 3.02Å; S980-N1002 PolarHBondContact N-OD1 3.22Å; E1000-N1002 HydrophobicContact CG-CB 4.37Å; E1000-N1002 WeakPolarHBondContact CG-ND2 3.45Å; E1000-N1002 PolarHBondContact OE1-ND2 2.94Å; N1002-H1017 CarbonylContact O-C 3.56Å; N1002-H1017 WeakPolarHBondContact O-CA 3.46Å; N1002-I1018 PolarHBondContact N-O 3.47Å; N1002-I1018 PolarHBondContact O-N 2.68Å
1003	Y	96.6	Very high	91.4	Very high	10 Å²	10	30.5 Å²	30.5	4%	0.039	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	131.9	178.2	-71	-94.6	0	0	0	110.3	V919 S977 L978 L1015 T1016 H1017 E1042 I1046	V919-Y1003 HydrophobicContact CG1-CD2 4.2Å; V919-Y1003 HydrophobicContact CG1-CE1 4.29Å; V919-Y1003 HydrophobicContact CG1-CE2 3.92Å; V919-Y1003 HydrophobicContact CG2-CE1 4.5Å; S977-Y1003 CarbonylContact C-O 3.52Å; S977-Y1003 VanDerWaalsContact CA-O 3.24Å; S977-Y1003 WeakPolarHBondContact CA-O 3.43Å; S977-Y1003 PolarHBondContact OG-O 3.04Å; L978-Y1003 HydrophobicContact CD2-CD2 4.13Å; L978-Y1003 HydrophobicContact CG-CD2 4.46Å; L978-Y1003 PolarHBondContact N-O 2.93Å; L978-Y1003 PolarHBondContact O-N 3.31Å; Y1003-L1015 HydrophobicContact CD1-CD1 4.22Å; Y1003-L1015 HydrophobicContact CD1-CD2 4.17Å; Y1003-L1015 HydrophobicContact CD1-CG 4.22Å; Y1003-L1015 HydrophobicContact CE1-CD1 4.37Å; Y1003-L1015 HydrophobicContact CE1-CD2 4.29Å; Y1003-T1016 CarbonylContact C-O 3.51Å; Y1003-T1016 WeakPolarHBondContact CA-O 3.04Å; Y1003-H1017 HydrophobicContact CD1-CB 3.94Å; Y1003-H1017 AromaticContact CD1-CD2 3.86Å; Y1003-H1017 AromaticContact CD2-CD2 3.75Å; Y1003-H1017 HydrophobicContact CE1-CB 3.85Å; Y1003-H1017 AromaticContact CE1-CD2 3.61Å; Y1003-H1017 AromaticContact CE1-CG 3.68Å; Y1003-H1017 AromaticContact CE2-CD2 3.49Å; Y1003-H1017 VanDerWaalsContact CE2-CD2 3.49Å; Y1003-H1017 WeakPolarHBondContact CE2-CD2 3.37Å; Y1003-H1017 AromaticContact CE2-NE2 3.48Å; Y1003-H1017 WeakPolarHBondContact CE2-NE2 3.3Å; Y1003-H1017 AromaticContact CG-CD2 3.93Å; Y1003-H1017 AromaticContact CZ-CD2 3.42Å; Y1003-H1017 VanDerWaalsContact CZ-CD2 3.42Å; Y1003-H1017 AromaticContact CZ-CE1 3.85Å; Y1003-H1017 AromaticContact CZ-CG 3.83Å; Y1003-H1017 AromaticContact CZ-NE2 3.46Å; Y1003-E1042 PolarHBondContact OH-OE1 2.87Å; Y1003-I1046 HydrophobicContact CE1-CD1 4.04Å
1004	L	95.9	Very high	92.1	Very high	2 Å²	2	32.8 Å²	32.8	1%	0.01	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	129.4	169.1	172.7	63.4	0	0	0	108.7	F866 L867 A870 A975 E1006 T1016	F866-L1004 HydrophobicContact CE1-CB 3.75Å; F866-L1004 HydrophobicContact CZ-CB 3.61Å; L867-L1004 HydrophobicContact CD2-CD1 3.83Å; A870-L1004 HydrophobicContact CB-CD2 3.61Å; A975-L1004 HydrophobicContact CB-CD1 4.49Å; L1004-E1006 HydrophobicContact CD1-CG 4.04Å; L1004-E1006 HydrophobicContact CD2-CG 4.16Å; L1004-E1006 HydrophobicContact CG-CG 3.99Å; L1004-T1016 PolarHBondContact N-O 3.22Å; L1004-T1016 PolarHBondContact O-N 3.04Å
1005	L	96.2	Very high	92.4	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.005	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	97.9	-175.6	-52.4	175.4	0	0	0	107.9	P912 V915 L916 A975 C976 L1015	P912-L1005 HydrophobicContact CB-CB 4.02Å; P912-L1005 VanDerWaalsContact O-CD1 3.32Å; P912-L1005 WeakPolarHBondContact O-CD1 3.49Å; V915-L1005 HydrophobicContact CB-CD1 4.08Å; V915-L1005 HydrophobicContact CB-CD2 4.49Å; V915-L1005 HydrophobicContact CG1-CD1 4.03Å; V915-L1005 HydrophobicContact CG1-CD2 3.75Å; L916-L1005 HydrophobicContact CB-CD1 3.8Å; L916-L1005 HydrophobicContact CD1-CD1 4.31Å; A975-L1005 CarbonylContact C-O 3.58Å; A975-L1005 VanDerWaalsContact CA-O 3.24Å; A975-L1005 WeakPolarHBondContact CA-O 3.36Å; A975-L1005 WeakPolarHBondContact CB-O 3.36Å; C976-L1005 HydrophobicContact CB-CB 4.14Å; C976-L1005 HydrophobicContact CB-CD1 4.12Å; C976-L1005 PolarHBondContact N-O 3.23Å; C976-L1005 PolarHBondContact O-N 3.18Å; L1005-L1015 HydrophobicContact CD2-CB 3.75Å; L1005-L1015 HydrophobicContact CD2-CD1 3.84Å; L1005-L1015 HydrophobicContact CD2-CG 3.6Å
1006	E	94.6	Very high	92.6	Very high	55 Å²	55	29.6 Å²	29.6	26%	0.257	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	132.9	178.9	-70.2	-172.1	126.5	0	0	110.5	R871 A975 L1004 C1008 R1014	R871-E1006 IonicContact CZ-OE1 3.17Å; R871-E1006 IonicContact NH1-OE1 2.73Å; R871-E1006 PolarHBondContact NH1-OE1 3.37Å; R871-E1006 IonicContact NH1-OE2 3.09Å; R871-E1006 IonicContact NH2-OE1 2.72Å; R871-E1006 PolarHBondContact NH2-OE1 3.26Å; A975-E1006 HydrophobicContact CB-CG 4.11Å; L1004-E1006 HydrophobicContact CD1-CG 4.04Å; L1004-E1006 HydrophobicContact CD2-CG 4.16Å; L1004-E1006 HydrophobicContact CG-CG 3.99Å; E1006-C1008 PolarHBondContact O-N 3.23Å; E1006-R1014 PolarHBondContact N-O 3.39Å; E1006-R1014 VanDerWaalsContact N-O 3.11Å; E1006-R1014 PolarHBondContact O-N 3.12Å
1007	P	94.1	Very high	92.7	Very high	60 Å²	60	29.7 Å²	29.7	39%	0.39	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	128	178.1	27	-31.8	0	0	0	110.9	P912 K973	P912-P1007 HydrophobicContact CG-CB 3.98Å; P912-P1007 HydrophobicContact CG-CG 4.31Å; K973-P1007 WeakPolarHBondContact O-CG 3.31Å
1008	C	89.3	Confident	92.8	Very high	58 Å²	58	29.3 Å²	29.3	39%	0.392	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	5.4	-178	55.4	0	0	0	0	114.4	E1006 K1012 R1014	E1006-C1008 PolarHBondContact O-N 3.23Å; C1008-K1012 PolarHBondContact N-O 3.42Å; C1008-K1012 VanDerWaalsContact SG-CB 3.55Å; C1008-R1014 HydrophobicContact CB-CB 4.36Å
1009	G	78.6	Confident	92.8	Very high	39 Å²	39	29.2 Å²	29.2	40%	0.402	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	104.2	168.2	177.7	0	0	0	0	0	113.1	G1011 K1012	G1009-G1011 PolarHBondContact O-N 3.44Å; G1009-G1011 VanDerWaalsContact O-N 3.08Å; G1009-K1012 WeakPolarHBondContact O-CB 3.24Å; G1009-K1012 WeakPolarHBondContact O-CG 3.27Å; G1009-K1012 PolarHBondContact O-N 3.29Å
1010	S	81.6	Confident	92.9	Very high	122 Å²	122	28 Å²	28	85%	0.853	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.5	32	179.2	-51.3	0	0	0	0	115.3	K1012	S1010-K1012 VanDerWaalsContact C-N 3.28Å; S1010-K1012 PolarHBondContact O-N 3.11Å
1011	G	84.3	Confident	93	Very high	51 Å²	51	27.9 Å²	27.9	53%	0.526	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.5	0.7	-177.1	0	0	0	0	0	115.6	A910 G1009	A910-G1011 CarbonylContact C-O 3.09Å; G1009-G1011 PolarHBondContact O-N 3.44Å; G1009-G1011 VanDerWaalsContact O-N 3.08Å
1012	K	92.2	Very high	93	Very high	61 Å²	61	27.1 Å²	27.1	27%	0.265	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	157.1	-175.9	-50.3	-172.1	-172.2	-140.7	0	113.3	V908 E909 C1008 G1009 S1010	V908-K1012 WeakPolarHBondContact O-CA 3.37Å; V908-K1012 WeakPolarHBondContact O-CB 3.28Å; E909-K1012 IonicContact OE1-NZ 2.7Å; E909-K1012 PolarHBondContact OE1-NZ 2.98Å; E909-K1012 WeakPolarHBondContact OE2-CD 3.42Å; E909-K1012 WeakPolarHBondContact OE2-CE 3.37Å; E909-K1012 IonicContact OE2-NZ 2.81Å; E909-K1012 PolarHBondContact OE2-NZ 3.45Å; C1008-K1012 PolarHBondContact N-O 3.42Å; C1008-K1012 VanDerWaalsContact SG-CB 3.55Å; G1009-K1012 WeakPolarHBondContact O-CB 3.24Å; G1009-K1012 WeakPolarHBondContact O-CG 3.27Å; G1009-K1012 PolarHBondContact O-N 3.29Å; S1010-K1012 VanDerWaalsContact C-N 3.28Å; S1010-K1012 PolarHBondContact O-N 3.11Å
1013	S	95.3	Very high	92.9	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	140.8	172	-56.8	0	0	0	0	111.6	V908 A910 P912	V908-S1013 PolarHBondContact N-O 3.15Å; V908-S1013 PolarHBondContact O-N 3.45Å; A910-S1013 WeakPolarHBondContact O-CB 3.41Å; A910-S1013 PolarHBondContact O-N 2.81Å; A910-S1013 PolarHBondContact O-OG 2.85Å; P912-S1013 WeakPolarHBondContact CA-OG 3.36Å; P912-S1013 WeakPolarHBondContact CD-OG 3.39Å; P912-S1013 WeakPolarHBondContact CG-OG 3.38Å
1014	R	94.9	Very high	92.7	Very high	69 Å²	69	28.7 Å²	28.7	26%	0.26	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	108.7	163.6	-179.9	164.7	-80.6	-107.8	-2.9	108.4	E887 V906 E907 E1006 C1008	E887-R1014 IonicContact OE1-CZ 2.77Å; E887-R1014 IonicContact OE1-NH1 2.7Å; E887-R1014 PolarHBondContact OE1-NH1 2.98Å; E887-R1014 IonicContact OE1-NH2 3.98Å; E887-R1014 PolarHBondContact OE1-NH2 3.16Å; E887-R1014 IonicContact OE2-NH1 3.71Å; E887-R1014 PolarHBondContact OE2-NH1 3.44Å; V906-R1014 CarbonylContact O-C 3.53Å; V906-R1014 WeakPolarHBondContact O-CA 3.4Å; E907-R1014 IonicContact OE1-CZ 3.17Å; E907-R1014 IonicContact OE1-NE 2.74Å; E907-R1014 PolarHBondContact OE1-NE 3.48Å; E907-R1014 IonicContact OE1-NH2 2.71Å; E907-R1014 PolarHBondContact OE1-NH2 2.99Å; E1006-R1014 PolarHBondContact N-O 3.39Å; E1006-R1014 VanDerWaalsContact N-O 3.11Å; E1006-R1014 PolarHBondContact O-N 3.12Å; C1008-R1014 HydrophobicContact CB-CB 4.36Å
1015	L	95.9	Very high	92.5	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	121.7	172.4	179.5	155.2	0	0	0	108.3	S905 V906 V908 V915 Y1003 L1005 H1017 A1043 I1046	S905-L1015 CarbonylContact C-O 3.5Å; S905-L1015 VanDerWaalsContact CA-O 3.26Å; S905-L1015 WeakPolarHBondContact CA-O 3.41Å; V906-L1015 HydrophobicContact CG2-CB 3.94Å; V906-L1015 HydrophobicContact CG2-CD2 4.06Å; V906-L1015 HydrophobicContact CG2-CG 4.48Å; V906-L1015 PolarHBondContact N-O 3.43Å; V906-L1015 PolarHBondContact O-N 2.86Å; V908-L1015 HydrophobicContact CG2-CB 4.11Å; V915-L1015 HydrophobicContact CG1-CD1 3.9Å; Y1003-L1015 HydrophobicContact CD1-CD1 4.22Å; Y1003-L1015 HydrophobicContact CD1-CD2 4.17Å; Y1003-L1015 HydrophobicContact CD1-CG 4.22Å; Y1003-L1015 HydrophobicContact CE1-CD1 4.37Å; Y1003-L1015 HydrophobicContact CE1-CD2 4.29Å; L1005-L1015 HydrophobicContact CD2-CB 3.75Å; L1005-L1015 HydrophobicContact CD2-CD1 3.84Å; L1005-L1015 HydrophobicContact CD2-CG 3.6Å; L1015-H1017 HydrophobicContact CD2-CB 4.1Å; L1015-A1043 HydrophobicContact CD2-CB 4.16Å; L1015-I1046 HydrophobicContact CD1-CD1 4.48Å; L1015-I1046 HydrophobicContact CD1-CG2 3.79Å
1016	T	95.4	Very high	92.4	Very high	6 Å²	6	29.6 Å²	29.6	4%	0.037	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	122.5	167.9	-59.8	0	0	0	0	108.4	R903 V904 S905 Y1003 L1004 I1018	R903-T1016 HydrophobicContact CG-CG2 4.12Å; V904-T1016 CarbonylContact O-C 3.51Å; V904-T1016 WeakPolarHBondContact O-CA 3.42Å; S905-T1016 PolarHBondContact OG-OG1 3.33Å; Y1003-T1016 CarbonylContact C-O 3.51Å; Y1003-T1016 WeakPolarHBondContact CA-O 3.04Å; L1004-T1016 PolarHBondContact N-O 3.22Å; L1004-T1016 PolarHBondContact O-N 3.04Å; T1016-I1018 HydrophobicContact CG2-CG1 4.47Å
1017	H	95.9	Very high	92.2	Very high	2 Å²	2	27.2 Å²	27.2	1%	0.009	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	129.9	174.6	179.4	-144	0	0	0	109.2	R903 V904 S1001 N1002 Y1003 L1015	R903-H1017 CarbonylContact C-O 3.57Å; R903-H1017 WeakPolarHBondContact CA-O 3.24Å; V904-H1017 PolarHBondContact N-O 3.34Å; V904-H1017 PolarHBondContact O-N 2.91Å; S1001-H1017 PolarHBondContact OG-NE2 3.46Å; N1002-H1017 CarbonylContact O-C 3.56Å; N1002-H1017 WeakPolarHBondContact O-CA 3.46Å; Y1003-H1017 HydrophobicContact CD1-CB 3.94Å; Y1003-H1017 AromaticContact CD1-CD2 3.86Å; Y1003-H1017 AromaticContact CD2-CD2 3.75Å; Y1003-H1017 HydrophobicContact CE1-CB 3.85Å; Y1003-H1017 AromaticContact CE1-CD2 3.61Å; Y1003-H1017 AromaticContact CE1-CG 3.68Å; Y1003-H1017 AromaticContact CE2-CD2 3.49Å; Y1003-H1017 VanDerWaalsContact CE2-CD2 3.49Å; Y1003-H1017 WeakPolarHBondContact CE2-CD2 3.37Å; Y1003-H1017 AromaticContact CE2-NE2 3.48Å; Y1003-H1017 WeakPolarHBondContact CE2-NE2 3.3Å; Y1003-H1017 AromaticContact CG-CD2 3.93Å; Y1003-H1017 AromaticContact CZ-CD2 3.42Å; Y1003-H1017 VanDerWaalsContact CZ-CD2 3.42Å; Y1003-H1017 AromaticContact CZ-CE1 3.85Å; Y1003-H1017 AromaticContact CZ-CG 3.83Å; Y1003-H1017 AromaticContact CZ-NE2 3.46Å; L1015-H1017 HydrophobicContact CD2-CB 4.1Å
1018	I	95.4	Very high	92	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.005	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	116.4	171.4	-62.4	-172.1	0	0	0	107.7	F866 W877 R901 W902 R903 N1002 T1016	F866-I1018 HydrophobicContact CD2-CD1 4.15Å; F866-I1018 HydrophobicContact CE2-CB 3.98Å; F866-I1018 HydrophobicContact CE2-CD1 3.79Å; F866-I1018 HydrophobicContact CE2-CG1 3.9Å; W877-I1018 HydrophobicContact CH2-CD1 4.31Å; W877-I1018 HydrophobicContact CH2-CG2 4.46Å; W877-I1018 HydrophobicContact CZ2-CD1 4.23Å; R901-I1018 HydrophobicContact CG-CG2 3.67Å; W902-I1018 CarbonylContact O-C 3.56Å; W902-I1018 VanDerWaalsContact O-CA 3.27Å; W902-I1018 WeakPolarHBondContact O-CA 3.48Å; R903-I1018 HydrophobicContact CB-CG1 4.1Å; R903-I1018 HydrophobicContact CG-CD1 4.49Å; R903-I1018 HydrophobicContact CG-CG1 4.08Å; N1002-I1018 PolarHBondContact N-O 3.47Å; N1002-I1018 PolarHBondContact O-N 2.68Å; T1016-I1018 HydrophobicContact CG2-CG1 4.47Å
1019	C	95.3	Very high	92	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.007	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	134.3	-172	63.1	0	0	0	0	111.5	W902 F1035 C1039	W902-C1019 PolarHBondContact N-O 3.35Å; W902-C1019 PolarHBondContact O-N 2.98Å; C1019-F1035 HydrophobicContact CB-CE1 4.4Å; C1019-C1039 HydrophobicContact CB-CB 4.41Å; C1019-C1039 WeakPolarHBondContact CB-SG 3.35Å; C1019-C1039 WeakPolarHBondContact SG-CB 3.39Å; C1019-C1039 CovalentContact SG-SG 2.06Å; C1019-C1039 PolarHBondContact SG-SG 3.02Å
1020	R	95.1	Very high	92.7	Very high	15 Å²	15	23.3 Å²	23.3	6%	0.057	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	103	167.2	-165.5	-175.1	-171.7	-156.6	6.3	108.5	D895 N897 L899 L999 E1000	D895-R1020 IonicContact OD1-CZ 3.62Å; D895-R1020 IonicContact OD1-NH1 3.83Å; D895-R1020 IonicContact OD1-NH2 2.8Å; D895-R1020 PolarHBondContact OD1-NH2 3.11Å; D895-R1020 IonicContact OD2-CZ 2.71Å; D895-R1020 IonicContact OD2-NH1 3.97Å; D895-R1020 PolarHBondContact OD2-NH1 3.45Å; D895-R1020 IonicContact OD2-NH2 2.69Å; D895-R1020 PolarHBondContact OD2-NH2 3.07Å; N897-R1020 PolarHBondContact O-NH2 3.22Å; L899-R1020 HydrophobicContact CB-CG 4.25Å; L899-R1020 VanDerWaalsContact O-CZ 3.3Å; L899-R1020 PolarHBondContact O-NE 2.88Å; L899-R1020 PolarHBondContact O-NH2 3.34Å; L999-R1020 WeakPolarHBondContact CB-O 3.47Å; L999-R1020 HydrophobicContact CD1-CG 4.28Å; L999-R1020 PolarHBondContact N-O 2.86Å; L999-R1020 VanDerWaalsContact N-O 3.1Å; E1000-R1020 HydrophobicContact CB-CB 4.2Å; E1000-R1020 PolarHBondContact N-O 2.9Å; E1000-R1020 PolarHBondContact O-N 2.91Å
1021	V	95.2	Very high	93.2	Very high	13 Å²	13	17.7 Å²	17.7	8%	0.079	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	134.7	-170	-174.3	0	0	0	0	109.4	F961 M997 I998 L1023 Y1031 F1035	F961-V1021 HydrophobicContact CE1-CG1 4.04Å; M997-V1021 CarbonylContact O-C 3.46Å; M997-V1021 WeakPolarHBondContact O-CA 3.5Å; I998-V1021 HydrophobicContact CG1-CG1 4.13Å; I998-V1021 HydrophobicContact CG1-CG2 4.25Å; I998-V1021 HydrophobicContact CG2-CG2 4.4Å; V1021-L1023 HydrophobicContact CG1-CD2 4.13Å; V1021-Y1031 WeakPolarHBondContact O-CE1 3.26Å; V1021-F1035 HydrophobicContact CB-CE2 4.21Å; V1021-F1035 HydrophobicContact CB-CZ 3.83Å; V1021-F1035 HydrophobicContact CG2-CZ 4.15Å
1022	D	95.3	Very high	93.4	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	112.6	163.2	-158.4	-21	0	0	0	109.1	S557 A558 L836 L899 A996 M997 K1024 Y1031	S557-D1022 VanDerWaalsContact CA-OD2 3.28Å; S557-D1022 WeakPolarHBondContact CA-OD2 3.38Å; S557-D1022 WeakPolarHBondContact CB-OD2 3.49Å; A558-D1022 PolarHBondContact N-OD2 3.39Å; L836-D1022 HydrophobicContact CD1-CB 3.81Å; L899-D1022 HydrophobicContact CD1-CB 3.72Å; A996-D1022 WeakPolarHBondContact CA-O 3.23Å; M997-D1022 HydrophobicContact CB-CB 4.17Å; M997-D1022 PolarHBondContact N-O 3.44Å; M997-D1022 PolarHBondContact O-N 3.37Å; D1022-K1024 PolarHBondContact O-N 3.44Å; D1022-K1024 WeakPolarHBondContact OD1-CA 3.45Å; D1022-K1024 PolarHBondContact OD1-N 2.91Å; D1022-Y1031 WeakPolarHBondContact CA-OH 3Å; D1022-Y1031 PolarHBondContact OD1-OH 3.07Å
1023	L	93.3	Very high	93.3	Very high	27 Å²	27	16.8 Å²	16.8	14%	0.141	8%	0.081	C	C	.	.			trans	-73.5	-8.2	172.4	-58.8	176.6	0	0	0	112.7	R959 F961 V1021 W1030 Y1031 F1035	R959-L1023 WeakPolarHBondContact CD-O 3.2Å; R959-L1023 PolarHBondContact NE-O 2.91Å; R959-L1023 PolarHBondContact NH2-O 3.32Å; F961-L1023 HydrophobicContact CE1-CD2 4.15Å; F961-L1023 HydrophobicContact CZ-CD2 3.77Å; V1021-L1023 HydrophobicContact CG1-CD2 4.13Å; L1023-W1030 HydrophobicContact CD1-CH2 3.79Å; L1023-W1030 HydrophobicContact CD1-CZ3 4.01Å; L1023-Y1031 PolarHBondContact N-OH 3.25Å; L1023-F1035 HydrophobicContact CD1-CD2 4.18Å; L1023-F1035 HydrophobicContact CD1-CE2 4.24Å; L1023-F1035 HydrophobicContact CG-CE2 4.29Å
1024	K	92.3	Very high	93.2	Very high	20 Å²	20	16.8 Å²	16.8	9%	0.087	8%	0.081	C	C	.	.	S	Bend	trans	56.4	150.4	-167	-57.8	-149.1	-176.4	-164.5	0	113.9	T554 N555 Q556 D835 L836 R959 V994 D1022	T554-K1024 CarbonylContact O-C 3.47Å; N555-K1024 WeakPolarHBondContact O-CD 3.48Å; Q556-K1024 CarbonylContact O-C 3.5Å; Q556-K1024 WeakPolarHBondContact O-CA 3.49Å; Q556-K1024 VanDerWaalsContact O-CB 3.27Å; Q556-K1024 WeakPolarHBondContact O-CB 3.43Å; D835-K1024 IonicContact OD1-NZ 3.99Å; D835-K1024 PolarHBondContact OD1-NZ 3.3Å; L836-K1024 PolarHBondContact O-NZ 3.16Å; R959-K1024 PolarHBondContact NH2-O 3.24Å; V994-K1024 HydrophobicContact CG1-CB 4Å; D1022-K1024 PolarHBondContact O-N 3.44Å; D1022-K1024 WeakPolarHBondContact OD1-CA 3.45Å; D1022-K1024 PolarHBondContact OD1-N 2.91Å
1025	G	92.1	Very high	93.1	Very high	5 Å²	5	14.1 Å²	14.1	5%	0.052	7%	0.071	C	C	.	.	S	Bend	trans	79.6	13.1	-177.1	0	0	0	0	0	115.9	I553 T554 Q556 L561 R731	I553-G1025 VanDerWaalsContact O-CA 3.29Å; I553-G1025 WeakPolarHBondContact O-CA 3.49Å; T554-G1025 PolarHBondContact O-N 3.47Å; Q556-G1025 PolarHBondContact O-N 3.26Å; L561-G1025 VanDerWaalsContact CD1-C 3.41Å; R731-G1025 PolarHBondContact NH2-O 3.37Å
1026	R	93.4	Very high	93	Very high	16 Å²	16	14.1 Å²	14.1	6%	0.06	7%	0.071	C	C	.	.			trans	-127.1	139.7	-179.4	-57.3	-63.8	162.4	159	-2.3	112.2	A558 L561 E732 W1030 Y1031	A558-R1026 WeakPolarHBondContact CA-O 3.4Å; L561-R1026 VanDerWaalsContact CD1-C 3.49Å; L561-R1026 WeakPolarHBondContact CD1-O 3.48Å; E732-R1026 IonicContact OE1-CZ 3.08Å; E732-R1026 IonicContact OE1-NH1 3.69Å; E732-R1026 IonicContact OE1-NH2 3.65Å; E732-R1026 PolarHBondContact OE1-NH2 3.46Å; E732-R1026 IonicContact OE2-CZ 2.72Å; E732-R1026 VanDerWaalsContact OE2-CZ 3.26Å; E732-R1026 IonicContact OE2-NH1 3.1Å; E732-R1026 PolarHBondContact OE2-NH1 3.1Å; E732-R1026 IonicContact OE2-NH2 3.17Å; E732-R1026 PolarHBondContact OE2-NH2 3.17Å; R1026-W1030 HydrophobicContact CB-CD2 4.13Å; R1026-W1030 HydrophobicContact CB-CE3 3.67Å; R1026-W1030 HydrophobicContact CB-CZ3 4.24Å; R1026-W1030 HydrophobicContact CG-CD2 3.95Å; R1026-W1030 HydrophobicContact CG-CE3 3.61Å; R1026-W1030 HydrophobicContact CG-CH2 4.32Å; R1026-W1030 HydrophobicContact CG-CZ3 3.82Å; R1026-Y1031 HydrophobicContact CB-CD2 4.17Å; R1026-Y1031 HydrophobicContact CB-CE2 3.49Å; R1026-Y1031 VanDerWaalsContact CB-CE2 3.49Å; R1026-Y1031 WeakPolarHBondContact O-CE2 3.38Å
1027	T	92.1	Very high	92.9	Very high	5 Å²	5	15.4 Å²	15.4	3%	0.031	8%	0.077	C	C	.	.			trans	-77.7	156.9	176.4	62.9	0	0	0	0	111.2	L561 D728 D1029 W1030 Y1031	L561-T1027 HydrophobicContact CB-CG2 4.39Å; D728-T1027 VanDerWaalsContact OD1-CG2 3.3Å; D728-T1027 WeakPolarHBondContact OD1-CG2 3.25Å; D728-T1027 WeakPolarHBondContact OD2-CB 3.39Å; D728-T1027 PolarHBondContact OD2-N 3.37Å; D728-T1027 PolarHBondContact OD2-OG1 3.23Å; T1027-D1029 PolarHBondContact O-N 3.28Å; T1027-W1030 PolarHBondContact O-N 3.43Å; T1027-W1030 VanDerWaalsContact O-N 3.14Å; T1027-Y1031 VanDerWaalsContact O-CD2 3.27Å; T1027-Y1031 WeakPolarHBondContact O-CD2 3.15Å; T1027-Y1031 PolarHBondContact O-N 2.65Å
1028	P	89.3	Confident	92.8	Very high	19 Å²	19	16.9 Å²	16.9	12%	0.123	9%	0.085	C	C	.	.	H	α-helix	trans	-54.9	-33.5	174.5	-28.7	37.2	0	0	0	114.1	A558 P898 W1030 Y1031 N1032	A558-P1028 WeakPolarHBondContact O-CD 3.37Å; P898-P1028 HydrophobicContact CB-CB 4.04Å; P898-P1028 HydrophobicContact CB-CG 3.8Å; P898-P1028 HydrophobicContact CG-CG 3.96Å; P1028-W1030 PolarHBondContact O-N 3.25Å; P1028-Y1031 PolarHBondContact O-N 2.92Å; P1028-N1032 WeakPolarHBondContact O-CB 3.38Å; P1028-N1032 PolarHBondContact O-N 2.7Å; P1028-N1032 PolarHBondContact O-ND2 3.06Å; P1028-N1032 VanDerWaalsContact O-ND2 3.13Å; P1028-N1032 PolarHBondContact O-OD1 3.31Å
1029	D	88.8	Confident	92.7	Very high	55 Å²	55	17 Å²	17	29%	0.294	9%	0.085	S	C	.	.	H	α-helix	trans	-63.1	-39.9	178.4	-178.4	53.6	0	0	0	112.5	T1027 N1032 K1033	T1027-D1029 PolarHBondContact O-N 3.28Å; D1029-N1032 PolarHBondContact O-N 2.94Å; D1029-K1033 WeakPolarHBondContact O-CB 3.19Å; D1029-K1033 WeakPolarHBondContact O-CG 3.48Å; D1029-K1033 PolarHBondContact O-N 2.86Å; D1029-K1033 VanDerWaalsContact O-N 3.12Å; D1029-K1033 WeakPolarHBondContact OD1-CE 3.34Å; D1029-K1033 IonicContact OD1-NZ 2.77Å; D1029-K1033 PolarHBondContact OD1-NZ 2.85Å; D1029-K1033 IonicContact OD2-NZ 3.05Å; D1029-K1033 PolarHBondContact OD2-NZ 2.97Å
1030	W	93	Very high	92.7	Very high	2 Å²	2	17 Å²	17	1%	0.008	9%	0.086	C	C	.	.	H	α-helix	trans	-67.1	-42	173.7	-177.9	92.5	0	0	0	112.1	V617 D728 L1023 R1026 T1027 P1028 N1032 K1033 A1034 F1035 L1038	V617-W1030 HydrophobicContact CG1-CZ2 3.91Å; D728-W1030 HydrophobicContact CB-CB 4.14Å; D728-W1030 HydrophobicContact CB-CG 4.11Å; D728-W1030 WeakPolarHBondContact OD2-CB 3.3Å; L1023-W1030 HydrophobicContact CD1-CH2 3.79Å; L1023-W1030 HydrophobicContact CD1-CZ3 4.01Å; R1026-W1030 HydrophobicContact CB-CD2 4.13Å; R1026-W1030 HydrophobicContact CB-CE3 3.67Å; R1026-W1030 HydrophobicContact CB-CZ3 4.24Å; R1026-W1030 HydrophobicContact CG-CD2 3.95Å; R1026-W1030 HydrophobicContact CG-CE3 3.61Å; R1026-W1030 HydrophobicContact CG-CH2 4.32Å; R1026-W1030 HydrophobicContact CG-CZ3 3.82Å; T1027-W1030 PolarHBondContact O-N 3.43Å; T1027-W1030 VanDerWaalsContact O-N 3.14Å; P1028-W1030 PolarHBondContact O-N 3.25Å; W1030-N1032 PolarHBondContact O-N 2.95Å; W1030-K1033 PolarHBondContact O-N 2.99Å; W1030-K1033 VanDerWaalsContact O-N 3.11Å; W1030-A1034 HydrophobicContact CD2-CB 3.96Å; W1030-A1034 HydrophobicContact CG-CB 4.22Å; W1030-A1034 HydrophobicContact CZ2-CB 3.99Å; W1030-A1034 WeakPolarHBondContact O-CB 3.44Å; W1030-A1034 PolarHBondContact O-N 2.98Å; W1030-F1035 HydrophobicContact CZ3-CB 4.09Å; W1030-F1035 HydrophobicContact CZ3-CD2 4.2Å; W1030-L1038 HydrophobicContact CH2-CD1 3.54Å; W1030-L1038 HydrophobicContact CZ2-CD1 3.93Å
1031	Y	92.6	Very high	92.6	Very high	3 Å²	3	17.6 Å²	17.6	1%	0.012	9%	0.094	C	C	.	.	I	π-helix	trans	-60.5	-34.3	173.3	-73.8	-72.4	0	0	0	112.5	A558 L899 W902 V1021 D1022 L1023 R1026 T1027 P1028 K1033 F1035	A558-Y1031 HydrophobicContact CB-CD2 4.06Å; A558-Y1031 HydrophobicContact CB-CE2 3.73Å; L899-Y1031 HydrophobicContact CD2-CD1 3.77Å; L899-Y1031 HydrophobicContact CD2-CD2 3.29Å; L899-Y1031 HydrophobicContact CD2-CE1 4.04Å; L899-Y1031 HydrophobicContact CD2-CE2 3.55Å; L899-Y1031 HydrophobicContact CD2-CG 3.41Å; L899-Y1031 VanDerWaalsContact CD2-CG 3.41Å; W902-Y1031 WeakPolarHBondContact CZ2-O 3.08Å; V1021-Y1031 WeakPolarHBondContact O-CE1 3.26Å; D1022-Y1031 WeakPolarHBondContact CA-OH 3Å; D1022-Y1031 PolarHBondContact OD1-OH 3.07Å; L1023-Y1031 PolarHBondContact N-OH 3.25Å; R1026-Y1031 HydrophobicContact CB-CD2 4.17Å; R1026-Y1031 HydrophobicContact CB-CE2 3.49Å; R1026-Y1031 VanDerWaalsContact CB-CE2 3.49Å; R1026-Y1031 WeakPolarHBondContact O-CE2 3.38Å; T1027-Y1031 VanDerWaalsContact O-CD2 3.27Å; T1027-Y1031 WeakPolarHBondContact O-CD2 3.15Å; T1027-Y1031 PolarHBondContact O-N 2.65Å; P1028-Y1031 PolarHBondContact O-N 2.92Å; Y1031-K1033 VanDerWaalsContact C-N 3.35Å; Y1031-F1035 HydrophobicContact CD1-CB 3.75Å; Y1031-F1035 AromaticContact CD1-CD2 3.94Å; Y1031-F1035 HydrophobicContact CD1-CD2 3.94Å; Y1031-F1035 AromaticContact CD1-CG 3.82Å; Y1031-F1035 HydrophobicContact CD1-CG 3.82Å; Y1031-F1035 AromaticContact CE1-CD2 3.95Å; Y1031-F1035 HydrophobicContact CE1-CD2 3.95Å; Y1031-F1035 HydrophobicContact CE1-CE2 4.5Å; Y1031-F1035 HydrophobicContact CE1-CG 4.31Å
1032	N	89.8	Confident	92.5	Very high	39 Å²	39	18.5 Å²	18.5	21%	0.209	10%	0.097	C	C	.	.	I	π-helix	trans	-73.9	-21.6	177.2	-65.2	-23.8	0	0	0	113.7	R900 P1028 D1029 W1030	R900-N1032 VanDerWaalsContact CD-OD1 3.24Å; R900-N1032 WeakPolarHBondContact CD-OD1 3.36Å; R900-N1032 WeakPolarHBondContact CG-OD1 3.36Å; R900-N1032 PolarHBondContact NE-OD1 2.63Å; P1028-N1032 WeakPolarHBondContact O-CB 3.38Å; P1028-N1032 PolarHBondContact O-N 2.7Å; P1028-N1032 PolarHBondContact O-ND2 3.06Å; P1028-N1032 VanDerWaalsContact O-ND2 3.13Å; P1028-N1032 PolarHBondContact O-OD1 3.31Å; D1029-N1032 PolarHBondContact O-N 2.94Å; W1030-N1032 PolarHBondContact O-N 2.95Å
1033	K	89.4	Confident	92.5	Very high	54 Å²	54	18.5 Å²	18.5	24%	0.235	10%	0.097	C	C	.	.	I	π-helix	trans	-109.9	-34.6	-174	-72.6	169.8	174.7	165.8	0	114.8	I614 Q618 D1029 W1030 Y1031 H1037	I614-K1033 HydrophobicContact CD1-CB 3.87Å; Q618-K1033 PolarHBondContact NE2-O 3.37Å; D1029-K1033 WeakPolarHBondContact O-CB 3.19Å; D1029-K1033 WeakPolarHBondContact O-CG 3.48Å; D1029-K1033 PolarHBondContact O-N 2.86Å; D1029-K1033 VanDerWaalsContact O-N 3.12Å; D1029-K1033 WeakPolarHBondContact OD1-CE 3.34Å; D1029-K1033 IonicContact OD1-NZ 2.77Å; D1029-K1033 PolarHBondContact OD1-NZ 2.85Å; D1029-K1033 IonicContact OD2-NZ 3.05Å; D1029-K1033 PolarHBondContact OD2-NZ 2.97Å; W1030-K1033 PolarHBondContact O-N 2.99Å; W1030-K1033 VanDerWaalsContact O-N 3.11Å; Y1031-K1033 VanDerWaalsContact C-N 3.35Å; K1033-H1037 PolarHBondContact O-CD2 2.95Å
1034	A	91.9	Very high	92.5	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.092	C	C	.	.	I	π-helix	trans	-113.6	-48.7	-169.2	0	0	0	0	0	112.9	I614 V617 W1030 G1036 H1037 L1038	I614-A1034 HydrophobicContact CD1-CB 3.87Å; V617-A1034 HydrophobicContact CG1-CB 3.81Å; W1030-A1034 HydrophobicContact CD2-CB 3.96Å; W1030-A1034 HydrophobicContact CG-CB 4.22Å; W1030-A1034 HydrophobicContact CZ2-CB 3.99Å; W1030-A1034 WeakPolarHBondContact O-CB 3.44Å; W1030-A1034 PolarHBondContact O-N 2.98Å; A1034-G1036 VanDerWaalsContact C-N 3.31Å; A1034-G1036 PolarHBondContact O-N 2.91Å; A1034-G1036 VanDerWaalsContact O-N 3.15Å; A1034-H1037 WeakPolarHBondContact O-CA 3.42Å; A1034-H1037 WeakPolarHBondContact O-CB 3.03Å; A1034-H1037 PolarHBondContact O-N 2.95Å; A1034-L1038 PolarHBondContact O-N 3.23Å
1035	F	94.1	Very high	92.6	Very high	13 Å²	13	20.6 Å²	20.6	6%	0.057	10%	0.104	C	C	.	.	I	π-helix	trans	-57.7	-37	-166.6	-176.4	-93.6	0	0	0	114.5	W902 C1019 V1021 L1023 W1030 Y1031 H1037 L1038 C1039	W902-F1035 AromaticContact CD1-CD1 3.6Å; W902-F1035 HydrophobicContact CG-CD1 4.3Å; W902-F1035 AromaticContact NE1-CD1 3.82Å; C1019-F1035 HydrophobicContact CB-CE1 4.4Å; V1021-F1035 HydrophobicContact CB-CE2 4.21Å; V1021-F1035 HydrophobicContact CB-CZ 3.83Å; V1021-F1035 HydrophobicContact CG2-CZ 4.15Å; L1023-F1035 HydrophobicContact CD1-CD2 4.18Å; L1023-F1035 HydrophobicContact CD1-CE2 4.24Å; L1023-F1035 HydrophobicContact CG-CE2 4.29Å; W1030-F1035 HydrophobicContact CZ3-CB 4.09Å; W1030-F1035 HydrophobicContact CZ3-CD2 4.2Å; Y1031-F1035 HydrophobicContact CD1-CB 3.75Å; Y1031-F1035 AromaticContact CD1-CD2 3.94Å; Y1031-F1035 HydrophobicContact CD1-CD2 3.94Å; Y1031-F1035 AromaticContact CD1-CG 3.82Å; Y1031-F1035 HydrophobicContact CD1-CG 3.82Å; Y1031-F1035 AromaticContact CE1-CD2 3.95Å; Y1031-F1035 HydrophobicContact CE1-CD2 3.95Å; Y1031-F1035 HydrophobicContact CE1-CE2 4.5Å; Y1031-F1035 HydrophobicContact CE1-CG 4.31Å; F1035-H1037 VanDerWaalsContact C-N 3.29Å; F1035-H1037 PolarHBondContact O-N 3.38Å; F1035-L1038 WeakPolarHBondContact O-CA 3.44Å; F1035-L1038 WeakPolarHBondContact O-CB 3.13Å; F1035-L1038 PolarHBondContact O-N 3.43Å; F1035-C1039 VanDerWaalsContact CE1-SG 3.55Å; F1035-C1039 PolarHBondContact O-N 3.38Å; F1035-C1039 VanDerWaalsContact O-N 3.15Å
1036	G	93.5	Very high	92.7	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-59.4	-36.5	174.1	0	0	0	0	0	114	L888 W902 A1034 L1038 A1040	L888-G1036 VanDerWaalsContact CD1-O 3.28Å; L888-G1036 WeakPolarHBondContact CD1-O 3.43Å; W902-G1036 VanDerWaalsContact CE3-CA 3.43Å; A1034-G1036 VanDerWaalsContact C-N 3.31Å; A1034-G1036 PolarHBondContact O-N 2.91Å; A1034-G1036 VanDerWaalsContact O-N 3.15Å; G1036-L1038 VanDerWaalsContact C-N 3.26Å; G1036-L1038 PolarHBondContact O-N 3.31Å; G1036-A1040 WeakPolarHBondContact O-CB 3.5Å; G1036-A1040 PolarHBondContact O-N 3.18Å; G1036-A1040 VanDerWaalsContact O-N 3.09Å
1037	H	93.2	Very high	92.8	Very high	34 Å²	34	21.1 Å²	21.1	16%	0.157	10%	0.104	C	C	.	.	H	α-helix	trans	-70.2	-24.6	173.5	-65.2	-86	0	0	0	112	Q618 S881 K1033 A1034 F1035 A1040 A1041	Q618-H1037 HydrophobicContact CB-CB 4.13Å; Q618-H1037 HydrophobicContact CG-CB 4.13Å; S881-H1037 PolarHBondContact O-CE1 3.07Å; K1033-H1037 PolarHBondContact O-CD2 2.95Å; A1034-H1037 WeakPolarHBondContact O-CA 3.42Å; A1034-H1037 WeakPolarHBondContact O-CB 3.03Å; A1034-H1037 PolarHBondContact O-N 2.95Å; F1035-H1037 VanDerWaalsContact C-N 3.29Å; F1035-H1037 PolarHBondContact O-N 3.38Å; H1037-A1040 PolarHBondContact O-N 3.17Å; H1037-A1041 WeakPolarHBondContact O-CB 3.31Å; H1037-A1041 PolarHBondContact O-N 3.24Å
1038	L	93.4	Very high	92.8	Very high	32 Å²	32	24.3 Å²	24.3	17%	0.168	12%	0.121	C	C	.	.	H	α-helix	trans	-73.5	-47.2	176	-51.7	-172.5	0	0	0	111.8	V617 W1030 A1034 F1035 G1036 A1040 A1041 E1042	V617-L1038 HydrophobicContact CG1-CD2 4.33Å; V617-L1038 WeakPolarHBondContact O-CD2 3.42Å; W1030-L1038 HydrophobicContact CH2-CD1 3.54Å; W1030-L1038 HydrophobicContact CZ2-CD1 3.93Å; A1034-L1038 PolarHBondContact O-N 3.23Å; F1035-L1038 WeakPolarHBondContact O-CA 3.44Å; F1035-L1038 WeakPolarHBondContact O-CB 3.13Å; F1035-L1038 PolarHBondContact O-N 3.43Å; G1036-L1038 VanDerWaalsContact C-N 3.26Å; G1036-L1038 PolarHBondContact O-N 3.31Å; L1038-A1040 PolarHBondContact O-N 3.4Å; L1038-A1041 PolarHBondContact O-N 2.97Å; L1038-E1042 WeakPolarHBondContact O-CB 3.46Å; L1038-E1042 PolarHBondContact O-N 3.43Å
1039	C	94.4	Very high	93.1	Very high	3 Å²	3	24.9 Å²	24.9	2%	0.02	13%	0.126	C	C	.	.	H	α-helix	trans	-62.2	-32.6	171.5	-62.2	0	0	0	0	111	V904 C1019 F1035 E1042 A1043	V904-C1039 HydrophobicContact CG2-CB 3.65Å; C1019-C1039 HydrophobicContact CB-CB 4.41Å; C1019-C1039 WeakPolarHBondContact CB-SG 3.35Å; C1019-C1039 WeakPolarHBondContact SG-CB 3.39Å; C1019-C1039 CovalentContact SG-SG 2.06Å; C1019-C1039 PolarHBondContact SG-SG 3.02Å; F1035-C1039 VanDerWaalsContact CE1-SG 3.55Å; F1035-C1039 PolarHBondContact O-N 3.38Å; F1035-C1039 VanDerWaalsContact O-N 3.15Å; C1039-E1042 PolarHBondContact O-N 3.28Å; C1039-A1043 PolarHBondContact O-N 2.99Å
1040	A	94.4	Very high	93.2	Very high	2 Å²	2	24.1 Å²	24.1	2%	0.017	12%	0.12	C	C	.	.	H	α-helix	trans	-65.5	-44.7	174	0	0	0	0	0	112.4	S882 G1036 H1037 L1038 A1043 A1044	S882-A1040 WeakPolarHBondContact OG-CB 3.46Å; G1036-A1040 WeakPolarHBondContact O-CB 3.5Å; G1036-A1040 PolarHBondContact O-N 3.18Å; G1036-A1040 VanDerWaalsContact O-N 3.09Å; H1037-A1040 PolarHBondContact O-N 3.17Å; L1038-A1040 PolarHBondContact O-N 3.4Å; A1040-A1043 PolarHBondContact O-N 3.48Å; A1040-A1044 WeakPolarHBondContact O-CB 3.37Å; A1040-A1044 PolarHBondContact O-N 3.47Å
1041	A	92.6	Very high	92.8	Very high	27 Å²	27	28.6 Å²	28.6	22%	0.223	14%	0.141	C	C	.	.	H	α-helix	trans	-66.2	-36.7	174.7	0	0	0	0	0	112.3	H1037 L1038 A1044 R1045	H1037-A1041 WeakPolarHBondContact O-CB 3.31Å; H1037-A1041 PolarHBondContact O-N 3.24Å; L1038-A1041 PolarHBondContact O-N 2.97Å; A1041-A1044 PolarHBondContact O-N 3.44Å; A1041-R1045 WeakPolarHBondContact O-CG 3.42Å; A1041-R1045 PolarHBondContact O-N 3.48Å; A1041-R1045 PolarHBondContact O-NH1 3.02Å
1042	E	93.8	Very high	91.5	Very high	32 Å²	32	34 Å²	34	15%	0.15	18%	0.177	C	C	.	.	H	α-helix	trans	-59.7	-52.6	173.8	-172.3	173.1	-177.8	0	0	110.7	R923 W926 Y1003 L1038 C1039 A1044 R1045 I1046	R923-E1042 IonicContact NH2-OE1 2.74Å; W926-E1042 HydrophobicContact CE3-CG 4.42Å; W926-E1042 HydrophobicContact CH2-CG 4.37Å; W926-E1042 HydrophobicContact CZ3-CG 3.69Å; Y1003-E1042 PolarHBondContact OH-OE1 2.87Å; L1038-E1042 WeakPolarHBondContact O-CB 3.46Å; L1038-E1042 PolarHBondContact O-N 3.43Å; C1039-E1042 PolarHBondContact O-N 3.28Å; E1042-A1044 VanDerWaalsContact C-N 3.31Å; E1042-A1044 PolarHBondContact O-N 3.28Å; E1042-R1045 PolarHBondContact O-N 2.89Å; E1042-I1046 HydrophobicContact CG-CD1 4.25Å; E1042-I1046 WeakPolarHBondContact O-CG1 3.39Å; E1042-I1046 PolarHBondContact O-N 3.34Å
1043	A	94.8	Very high	89.7	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-61.3	-37.2	175.7	0	0	0	0	0	113	V904 V906 L1015 C1039 A1040 I1046 R1047	V904-A1043 HydrophobicContact CG1-CB 3.57Å; V906-A1043 HydrophobicContact CG1-CB 3.85Å; V906-A1043 HydrophobicContact CG2-CB 4.03Å; L1015-A1043 HydrophobicContact CD2-CB 4.16Å; C1039-A1043 PolarHBondContact O-N 2.99Å; A1040-A1043 PolarHBondContact O-N 3.48Å; A1043-I1046 PolarHBondContact O-N 3.3Å; A1043-R1047 PolarHBondContact O-N 2.94Å
1044	A	93.6	Very high	87.4	Confident	5 Å²	5	45 Å²	45	4%	0.041	24%	0.235	C	C	.	.	H	α-helix	trans	-65.4	-41.4	174.6	0	0	0	0	0	112.2	T886 A1040 A1041 E1042 R1047 N1048	T886-A1044 HydrophobicContact CG2-CB 4.17Å; A1040-A1044 WeakPolarHBondContact O-CB 3.37Å; A1040-A1044 PolarHBondContact O-N 3.47Å; A1041-A1044 PolarHBondContact O-N 3.44Å; E1042-A1044 VanDerWaalsContact C-N 3.31Å; E1042-A1044 PolarHBondContact O-N 3.28Å; A1044-R1047 PolarHBondContact O-N 3.12Å; A1044-N1048 WeakPolarHBondContact O-CB 3.35Å; A1044-N1048 PolarHBondContact O-N 3.2Å; A1044-N1048 PolarHBondContact O-OD1 3.06Å
1045	R	93.5	Very high	84.7	Confident	86 Å²	86	48.9 Å²	48.9	33%	0.325	27%	0.268	S	S	.	.	H	α-helix	trans	-65.7	-42.6	174.6	-68.7	-168.4	-51.8	-86.3	14.5	111.9	W926 D927 A1041 E1042 R1047 N1048 S1049	W926-R1045 HydrophobicContact CB-CB 4.19Å; W926-R1045 VanDerWaalsContact O-CB 3.26Å; W926-R1045 WeakPolarHBondContact O-CB 3.35Å; W926-R1045 WeakPolarHBondContact O-CD 3.49Å; W926-R1045 PolarHBondContact O-NE 2.96Å; D927-R1045 IonicContact OD1-CZ 3.44Å; D927-R1045 IonicContact OD1-NE 2.75Å; D927-R1045 IonicContact OD1-NH2 3.18Å; D927-R1045 PolarHBondContact OD1-NH2 3.06Å; A1041-R1045 WeakPolarHBondContact O-CG 3.42Å; A1041-R1045 PolarHBondContact O-N 3.48Å; A1041-R1045 PolarHBondContact O-NH1 3.02Å; E1042-R1045 PolarHBondContact O-N 2.89Å; R1045-R1047 VanDerWaalsContact C-N 3.34Å; R1045-R1047 PolarHBondContact O-N 3.33Å; R1045-N1048 PolarHBondContact O-N 3.27Å; R1045-S1049 PolarHBondContact O-N 3.48Å
1046	I	95.4	Very high	82	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-55.7	-49.7	174.1	-67.5	161.6	0	0	0	110.1	V919 W926 Y1003 L1015 E1042 A1043 S1049 F1050	V919-I1046 HydrophobicContact CG2-CD1 4Å; V919-I1046 HydrophobicContact CG2-CG1 4.4Å; V919-I1046 HydrophobicContact CG2-CG2 4.01Å; W926-I1046 HydrophobicContact CD2-CD1 4.39Å; W926-I1046 HydrophobicContact CD2-CG1 3.49Å; W926-I1046 VanDerWaalsContact CD2-CG1 3.49Å; W926-I1046 HydrophobicContact CE3-CD1 4.28Å; W926-I1046 HydrophobicContact CE3-CG1 3.67Å; W926-I1046 HydrophobicContact CG-CG1 3.94Å; W926-I1046 HydrophobicContact CH2-CD1 4.08Å; W926-I1046 HydrophobicContact CH2-CG1 4.22Å; W926-I1046 HydrophobicContact CZ2-CD1 4.18Å; W926-I1046 HydrophobicContact CZ2-CG1 4.07Å; W926-I1046 HydrophobicContact CZ3-CD1 4.15Å; W926-I1046 HydrophobicContact CZ3-CG1 4.06Å; Y1003-I1046 HydrophobicContact CE1-CD1 4.04Å; L1015-I1046 HydrophobicContact CD1-CD1 4.48Å; L1015-I1046 HydrophobicContact CD1-CG2 3.79Å; E1042-I1046 HydrophobicContact CG-CD1 4.25Å; E1042-I1046 WeakPolarHBondContact O-CG1 3.39Å; E1042-I1046 PolarHBondContact O-N 3.34Å; A1043-I1046 PolarHBondContact O-N 3.3Å; I1046-S1049 PolarHBondContact O-N 2.94Å; I1046-S1049 PolarHBondContact O-OG 3.3Å; I1046-F1050 WeakPolarHBondContact O-CD2 3.4Å
1047	R	94.8	Very high	79.4	Confident	32 Å²	32	58.7 Å²	58.7	12%	0.121	33%	0.331	C	S	.	.	H	α-helix	trans	-58.1	-51.4	174.7	177.8	-166.7	66.9	-150.7	-6.1	112.1	D884 E907 V908 A1043 A1044 R1045 S1049 F1050	D884-R1047 PolarHBondContact O-NH1 2.9Å; D884-R1047 PolarHBondContact O-NH2 2.96Å; E907-R1047 WeakPolarHBondContact O-CD 3.35Å; E907-R1047 VanDerWaalsContact O-CG 3.25Å; E907-R1047 WeakPolarHBondContact O-CG 3.46Å; V908-R1047 HydrophobicContact CG2-CB 4.09Å; V908-R1047 HydrophobicContact CG2-CG 4.36Å; A1043-R1047 PolarHBondContact O-N 2.94Å; A1044-R1047 PolarHBondContact O-N 3.12Å; R1045-R1047 VanDerWaalsContact C-N 3.34Å; R1045-R1047 PolarHBondContact O-N 3.33Å; R1047-S1049 PolarHBondContact O-N 3.26Å; R1047-F1050 PolarHBondContact O-N 3.41Å
1048	N	93.3	Very high	77	Confident	72 Å²	72	63.3 Å²	63.3	39%	0.385	36%	0.364	S	S	.	.	H	α-helix	trans	-63.7	-28.2	-173.7	-66.7	3.7	0	0	0	111.6	A1044 R1045 F1050 Q1051	A1044-N1048 WeakPolarHBondContact O-CB 3.35Å; A1044-N1048 PolarHBondContact O-N 3.2Å; A1044-N1048 PolarHBondContact O-OD1 3.06Å; R1045-N1048 PolarHBondContact O-N 3.27Å; N1048-F1050 PolarHBondContact O-N 3.28Å; N1048-F1050 VanDerWaalsContact O-N 3.15Å; N1048-Q1051 WeakPolarHBondContact O-CB 2.99Å; N1048-Q1051 PolarHBondContact O-N 3.42Å
1049	S	94.9	Very high	74.5	Confident	32 Å²	32	69.1 Å²	69.1	22%	0.224	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-11.8	173.5	77.8	0	0	0	0	115.1	R918 R1045 I1046 R1047	R918-S1049 WeakPolarHBondContact CD-OG 3.41Å; R918-S1049 VanDerWaalsContact NH1-C 3.28Å; R918-S1049 PolarHBondContact NH1-O 2.84Å; R918-S1049 PolarHBondContact NH1-OG 2.88Å; R1045-S1049 PolarHBondContact O-N 3.48Å; I1046-S1049 PolarHBondContact O-N 2.94Å; I1046-S1049 PolarHBondContact O-OG 3.3Å; R1047-S1049 PolarHBondContact O-N 3.26Å
1050	F	91.3	Very high	71.9	Confident	39 Å²	39	75.1 Å²	75.1	17%	0.171	43%	0.427	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.8	-12.3	171.6	-74.4	-74.5	0	0	0	113.6	V908 A910 V914 V915 R918 I1046 R1047 N1048	V908-F1050 HydrophobicContact CG1-CB 4.21Å; V908-F1050 HydrophobicContact CG1-CD2 3.3Å; V908-F1050 HydrophobicContact CG1-CE2 3.82Å; V908-F1050 HydrophobicContact CG1-CG 3.93Å; A910-F1050 HydrophobicContact CB-CD1 3.56Å; A910-F1050 HydrophobicContact CB-CD2 4.47Å; A910-F1050 HydrophobicContact CB-CE1 3.58Å; A910-F1050 HydrophobicContact CB-CE2 4.46Å; A910-F1050 HydrophobicContact CB-CG 4.01Å; A910-F1050 HydrophobicContact CB-CZ 4.03Å; V914-F1050 HydrophobicContact CG1-CE1 3.85Å; V914-F1050 HydrophobicContact CG1-CZ 4.32Å; V915-F1050 HydrophobicContact CB-CE2 4.39Å; V915-F1050 HydrophobicContact CB-CZ 4.45Å; V915-F1050 HydrophobicContact CG1-CE2 4.44Å; V915-F1050 HydrophobicContact CG2-CE2 3.93Å; V915-F1050 HydrophobicContact CG2-CZ 4.04Å; R918-F1050 HydrophobicContact CB-CE2 3.76Å; R918-F1050 HydrophobicContact CB-CZ 3.46Å; R918-F1050 VanDerWaalsContact CB-CZ 3.46Å; R918-F1050 HydrophobicContact CG-CE2 3.61Å; R918-F1050 HydrophobicContact CG-CZ 3.76Å; I1046-F1050 WeakPolarHBondContact O-CD2 3.4Å; R1047-F1050 PolarHBondContact O-N 3.41Å; N1048-F1050 PolarHBondContact O-N 3.28Å; N1048-F1050 VanDerWaalsContact O-N 3.15Å
1051	Q	83.9	Confident	69	Low	96 Å²	96	82.6 Å²	82.6	45%	0.449	46%	0.459	S	S	.	.	S	Bend	trans	-78.6	134.9	171.5	-62.5	177.7	-15.1	0	0	107.5	N1048 L1053	N1048-Q1051 WeakPolarHBondContact O-CB 2.99Å; N1048-Q1051 PolarHBondContact O-N 3.42Å; Q1051-L1053 PolarHBondContact O-N 3.5Å
1052	P	64.6	Low	66	Low	117 Å²	117	92.4 Å²	92.4	76%	0.76	51%	0.505	S	S	*	.	P	Polyproline II helix	trans	-58.7	126.5	167.1	26.2	-32.2	0	0	0	107.6	I1054	P1052-I1054 PolarHBondContact O-N 2.85Å
1053	L	53.2	Low	64.7	Low	167 Å²	167	95.4 Å²	95.4	87%	0.874	52%	0.523	S	S	*	.	P	Polyproline II helix	trans	-49.4	131.5	164.5	-71.2	167.6	0	0	0	107.2	Q1051 A1055	Q1051-L1053 PolarHBondContact O-N 3.5Å; L1053-A1055 VanDerWaalsContact C-N 3.26Å; L1053-A1055 PolarHBondContact O-N 3.14Å
1054	I	41.1	Very low	63.1	Low	156 Å²	156	100.4 Å²	100.4	80%	0.8	55%	0.551	S	S	*	*			trans	-67.2	94.5	179	-59.1	176.1	0	0	0	107	P1052 D1056	P1052-I1054 PolarHBondContact O-N 2.85Å; I1054-D1056 PolarHBondContact O-N 2.89Å
1055	A	35.5	Very low	61.4	Low	82 Å²	82	105.7 Å²	105.7	68%	0.678	58%	0.579	S	S	*	*			trans	-69.9	114.3	166.6	0	0	0	0	0	107	L1053 G1057	L1053-A1055 VanDerWaalsContact C-N 3.26Å; L1053-A1055 PolarHBondContact O-N 3.14Å; A1055-G1057 PolarHBondContact O-N 3.31Å
1056	D	36	Very low	59.5	Low	174 Å²	174	106.9 Å²	106.9	93%	0.93	59%	0.594	S	S	*	*			trans	-70.4	56.7	161.1	-79	-40.1	0	0	0	109.7	I1054	I1054-D1056 PolarHBondContact O-N 2.89Å
1057	G	39.5	Very low	57.2	Low	45 Å²	45	113.6 Å²	113.6	46%	0.464	63%	0.631	S	S	.	*	S	Bend	trans	-115.9	144.8	170.9	0	0	0	0	0	109.2	A1055	A1055-G1057 PolarHBondContact O-N 3.31Å
1058	P	42.8	Very low	54.7	Low	130 Å²	130	119 Å²	119	84%	0.844	67%	0.665	S	S	*	*			trans	-62.8	139	-176.4	26.6	-34.6	0	0	0	111.4	T1060	P1058-T1060 PolarHBondContact O-N 3.25Å
1059	E	41.8	Very low	52	Low	154 Å²	154	122.4 Å²	122.4	72%	0.72	69%	0.685	S	S	*	*			trans	-54.2	118.3	-175.8	-59.8	-177.1	138.1	0	0	113.2	K1061	E1059-K1061 IonicContact OE1-NZ 2.76Å; E1059-K1061 PolarHBondContact OE1-NZ 3.41Å; E1059-K1061 IonicContact OE2-NZ 2.61Å; E1059-K1061 PolarHBondContact OE2-NZ 3.12Å
1060	T	38.7	Very low	48.7	Very low	129 Å²	129	129.3 Å²	129.3	79%	0.791	72%	0.721	S	S	*	*			trans	-106.8	88.8	154.1	53.9	0	0	0	0	109.2	P1058 I1062	P1058-T1060 PolarHBondContact O-N 3.25Å; T1060-I1062 PolarHBondContact O-N 2.66Å
1061	K	34.2	Very low	45.1	Very low	159 Å²	159	136.8 Å²	136.8	69%	0.691	77%	0.766	S	S	*	*			trans	-69	121.2	167.5	-65.9	-176.4	171.5	98.5	0	109.1	E1059	E1059-K1061 IonicContact OE1-NZ 2.76Å; E1059-K1061 PolarHBondContact OE1-NZ 3.41Å; E1059-K1061 IonicContact OE2-NZ 2.61Å; E1059-K1061 PolarHBondContact OE2-NZ 3.12Å
1062	I	30.2	Very low	41.6	Very low	233 Å²	233	140.5 Å²	140.5	100%	1.195	80%	0.795	S	S	*	*			trans	-134.9	0	165.1	-57.4	-176.8	0	0	0	106.5	T1060	T1060-I1062 PolarHBondContact O-N 2.66Å

Retrieved 1,062 of 1,062 residues in 1026.8 ms (Link to these results)

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