A0A3Q0KTU9_SCHMA Loading...

Oxysterol-binding protein

Interacts with OSBPL11 to function as lipid transfer proteins. Together they form a heterodimer that localizes at the ER-trans-Golgi membrane contact sites, and exchanges phosphatidylserine (1,2-diacyl-sn-glycero-3-phospho-L-serine, PS) for phosphatidylinositol-4-phosphate (1,2-diacyl-sn-glycero-3-phospho-(1D-myo-inositol 4-phosphate), PI(4)P) between the two organelles, a step that is critical for sphingomyelin synthesis in the Golgi complex. Interacts with OSBPL10 to function as lipid transfer proteins. Together they form a heterodimer that localizes at the ER-trans-Golgi membrane contact sites, and exchanges phosphatidylserine (1,2-diacyl-sn-glycero-3-phospho-L-serine, PS) for phosphatidylinositol-4-phosphate (1,2-diacyl-sn-glycero-3-phospho-(1D-myo-inositol 4-phosphate), PI(4)P) between the two organelles, a step that is critical for sphingomyelin synthesis in the Golgi complex.

AlphaFold DB , UniProt , Accession A0A3Q0KTU9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 883 aa.

						>A0A3Q0KTU9_SCHMA|A0A3Q0KTU9
MEGPLSKWTNLVNGWQYRWFVLDISLGVLSYYTSKEKMMRGDRRGCVKLKNAQVGIDDEDDSTFTITVDHKTFHFQARNSDERQKWLDALQEARDLHTQNYALLNQTNRLLEHPCCLSEFDRRIVEADAFLQILIDQHEQLVSHIPSSDECRPEIMGAVTFRMQRLIELVKKTIVCLQFARGSVNGSYRIPITLNDNTVSDVVDIPHTLQFDTSRSNSAYSTLKVKDYDLKVHSINHTFINAQGGEGDGENPFASCQESLSSASPIITQKPSRKHSTRNSRRLEKGKLHKRPSSTTESSIESHSVCSHPEQLATISSSLPNDTVIVKRCFDALDSPSANYPPLSIPRMPVRSYSSSDDDQAQLDQEEEDEEFFDTQEDIPVNCAITNSPQSVKDNTNINMYSNPTVPLTKSGRYLPSQSSNNRTNSSLDDTFDELYDDENEEELGSVQSHGSVITHLLSQLRIGMDLTRITLPTFILERRSTLEMYADFLAHADLWAVIPNGSTPRDRMVSCLRWYLSAFHAGRRSSVAKKPYNPTLGEIFRCYWPLSKESGDDSSNASEKPQDKLCNSGPVPWAPNNSVVFLAEQVSHHPPISAFYAEHVNNQIAVDGHLWTKSKFLGLSIAVEMVGSAVISLLNHDEEYVVTFPCGYGRNILTVPWIELGGKTSITCLKTGYLANIEFRTKPFYGGKRDTLRAEVFGPNDKKPFLIVEGEWNDKMLAKWPHGKNELFIDTRNLPTVRKHVLPRSRQEENESRRLWEEVTYNLKVGNIDAASDAKHRLEQRQRDLARQRRDSKHTWTPEYFRGEGDNWIYRHPLIQRLHQPPNQNISSTEPQTISKIMNLACSPDIVVNPVSCNSPVTDSPQIVHNTTTESSIPVIEYSASP
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	90.3	Very high	88.3	Confident	83 Å²	83	55.7 Å²	55.7	41%	0.409	28%	0.283	S	S	.	.				0	143.8	0	178.2	179.9	-177.8	0	0	108.4	L22 K85 W86 A89	M1-L22 HydrophobicContact CB-CB 4.25Å; M1-L22 PolarHBondContact N-O 3.49Å; M1-L22 PolarHBondContact O-N 3.28Å; M1-K85 HydrophobicContact CE-CB 4.05Å; M1-W86 HydrophobicContact CE-CD2 3.65Å; M1-W86 HydrophobicContact CE-CE3 4.14Å; M1-W86 HydrophobicContact CE-CG 3.81Å; M1-W86 HydrophobicContact CE-CZ2 4.36Å; M1-W86 HydrophobicContact CG-CH2 4.38Å; M1-W86 HydrophobicContact CG-CZ3 4.35Å; M1-W86 HydrophobicContact SD-CD2 4.08Å; M1-W86 HydrophobicContact SD-CE3 3.94Å; M1-W86 HydrophobicContact SD-CZ3 4.26Å; M1-A89 HydrophobicContact SD-CB 3.51Å; M1-A89 VanDerWaalsContact SD-CB 3.51Å
2	E	93.7	Very high	86.5	Confident	91 Å²	91	61.8 Å²	61.8	43%	0.425	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	155.1	171.3	64.7	166.7	-142.3	0	0	111	W19 F20 V21	E2-W19 HydrophobicContact CG-CZ2 4.42Å; E2-F20 CarbonylContact C-O 3.47Å; E2-F20 WeakPolarHBondContact CA-O 3.5Å; E2-F20 WeakPolarHBondContact CB-O 3.43Å; E2-V21 HydrophobicContact CB-CB 4.43Å; E2-V21 HydrophobicContact CB-CG1 4.45Å; E2-V21 HydrophobicContact CB-CG2 3.99Å
3	G	92.6	Very high	85.7	Confident	5 Å²	5	63.9 Å²	63.9	5%	0.052	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	167.1	177.5	178.7	0	0	0	0	0	113.2	F20	G3-F20 PolarHBondContact N-O 2.99Å; G3-F20 PolarHBondContact O-N 3.5Å
4	P	93.4	Very high	85.5	Confident	7 Å²	7	60.4 Å²	60.4	5%	0.045	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	139.1	-178.2	33.1	-33.4	0	0	0	113.1	Y17 W19	P4-Y17 HydrophobicContact CB-CE1 3.95Å; P4-Y17 HydrophobicContact CB-CE2 3.5Å; P4-Y17 WeakPolarHBondContact CB-OH 3.44Å; P4-Y17 HydrophobicContact CG-CE2 4.48Å; P4-W19 HydrophobicContact CB-CE3 4.17Å; P4-W19 HydrophobicContact CB-CZ3 4.12Å; P4-W19 HydrophobicContact CG-CZ3 4.24Å
5	L	95.8	Very high	85.9	Confident	3 Å²	3	62.7 Å²	62.7	2%	0.016	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	149.2	166.5	-65.6	168.9	0	0	0	109.3	R18 F20 F64 A77 W86	L5-R18 PolarHBondContact N-O 2.99Å; L5-R18 PolarHBondContact O-N 3.28Å; L5-F20 HydrophobicContact CB-CD2 3.6Å; L5-F20 HydrophobicContact CB-CE2 3.64Å; L5-F20 HydrophobicContact CD1-CB 4.47Å; L5-F20 HydrophobicContact CD1-CD2 4.01Å; L5-F20 HydrophobicContact CD1-CE2 4.37Å; L5-F20 HydrophobicContact CD1-CG 4.13Å; L5-F20 HydrophobicContact CG-CD2 4.14Å; L5-F64 HydrophobicContact CD1-CE1 4.44Å; L5-F64 HydrophobicContact CD1-CZ 3.86Å; L5-F64 HydrophobicContact CD2-CE1 4.12Å; L5-F64 HydrophobicContact CD2-CZ 4.35Å; L5-A77 HydrophobicContact CD2-CB 3.86Å; L5-W86 HydrophobicContact CD1-CD2 3.88Å; L5-W86 HydrophobicContact CD1-CE3 4.32Å; L5-W86 HydrophobicContact CD1-CG 4.19Å; L5-W86 HydrophobicContact CD1-CZ2 4.18Å; L5-W86 HydrophobicContact CD2-CG 4.26Å; L5-W86 HydrophobicContact CG-CD2 4.43Å; L5-W86 HydrophobicContact CG-CZ2 4.29Å
6	S	93.7	Very high	86.2	Confident	29 Å²	29	62.8 Å²	62.8	20%	0.203	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	133.6	165.4	-74	0	0	0	0	109	F75 Q76	S6-F75 CarbonylContact O-C 3.24Å; S6-F75 VanDerWaalsContact O-CA 3.24Å; S6-F75 WeakPolarHBondContact O-CA 3.49Å; S6-Q76 PolarHBondContact N-O 3.18Å; S6-Q76 PolarHBondContact O-N 3.34Å
7	K	94.6	Very high	86.6	Confident	23 Å²	23	66.6 Å²	66.6	10%	0.1	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	131.7	177.2	-175.8	-168.7	170.8	-64.8	0	109.6	T9 Q16 R18 F20 H74 F75	K7-T9 PolarHBondContact O-N 3.39Å; K7-Q16 PolarHBondContact N-O 3.4Å; K7-Q16 PolarHBondContact O-N 3.49Å; K7-R18 HydrophobicContact CB-CG 4.3Å; K7-F20 HydrophobicContact CB-CE2 4.41Å; K7-F20 HydrophobicContact CB-CZ 4.08Å; K7-F20 HydrophobicContact CD-CZ 4.24Å; K7-F20 HydrophobicContact CG-CZ 4.45Å; K7-H74 WeakPolarHBondContact CA-O 3.46Å; K7-F75 HydrophobicContact CB-CD1 4.27Å; K7-F75 HydrophobicContact CB-CE1 4.43Å; K7-F75 HydrophobicContact CD-CE1 4.23Å; K7-F75 HydrophobicContact CG-CD1 4.16Å; K7-F75 HydrophobicContact CG-CE1 3.95Å
8	W	88.2	Confident	87.1	Confident	93 Å²	93	65.2 Å²	65.2	35%	0.352	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	131.5	170.4	-173.5	-103.3	0	0	0	110.3	L11 W15 H74	W8-L11 HydrophobicContact CZ2-CD2 4.38Å; W8-W15 HydrophobicContact CB-CD2 4.32Å; W8-W15 HydrophobicContact CB-CE3 4.07Å; W8-W15 HydrophobicContact CB-CH2 4.2Å; W8-W15 HydrophobicContact CB-CZ2 4.41Å; W8-W15 HydrophobicContact CB-CZ3 4.01Å; W8-W15 AromaticContact CE3-CD1 3.51Å; W8-W15 AromaticContact CE3-CD2 3.8Å; W8-W15 HydrophobicContact CE3-CD2 3.8Å; W8-W15 AromaticContact CE3-CE2 3.63Å; W8-W15 AromaticContact CE3-CG 3.72Å; W8-W15 HydrophobicContact CE3-CG 3.72Å; W8-W15 HydrophobicContact CE3-CZ2 4.35Å; W8-W15 AromaticContact CE3-NE1 3.43Å; W8-W15 AromaticContact CZ3-CD1 3.56Å; W8-W15 HydrophobicContact CZ3-CG 4.17Å; W8-W15 AromaticContact CZ3-NE1 3.63Å; W8-W15 VanDerWaalsContact N-CE3 3.26Å; W8-H74 HydrophobicContact CB-CB 3.87Å; W8-H74 PolarHBondContact N-O 3.47Å
9	T	84.4	Confident	87.6	Confident	45 Å²	45	63.4 Å²	63.4	28%	0.276	31%	0.313	S	S	.	.			trans	-110	-59.1	-176	54.1	0	0	0	0	113.2	K7 N13 G14 Q16	K7-T9 PolarHBondContact O-N 3.39Å; T9-N13 WeakPolarHBondContact OG1-CB 3.47Å; T9-G14 PolarHBondContact N-O 3.4Å; T9-G14 PolarHBondContact OG1-O 3.09Å; T9-Q16 HydrophobicContact CG2-CB 3.78Å; T9-Q16 HydrophobicContact CG2-CG 3.71Å; T9-Q16 WeakPolarHBondContact OG1-CG 2.88Å
10	N	78.2	Confident	88.1	Confident	69 Å²	69	60.2 Å²	60.2	37%	0.369	30%	0.297	S	S	.	.			trans	-166.7	173.7	174.6	56.3	37.5	0	0	0	109.6	V12 N13 G14	N10-V12 PolarHBondContact O-N 2.81Å; N10-V12 VanDerWaalsContact O-N 3.15Å; N10-V12 WeakPolarHBondContact OD1-CB 3.48Å; N10-V12 PolarHBondContact OD1-N 3.27Å; N10-V12 VanDerWaalsContact OD1-N 3.12Å; N10-N13 PolarHBondContact ND2-ND2 2.93Å; N10-N13 PolarHBondContact O-N 3.15Å; N10-N13 WeakPolarHBondContact OD1-CB 3.41Å; N10-N13 PolarHBondContact OD1-N 3.21Å; N10-N13 PolarHBondContact OD1-ND2 2.72Å; N10-G14 VanDerWaalsContact O-CA 3.28Å; N10-G14 WeakPolarHBondContact O-CA 3.02Å; N10-G14 PolarHBondContact O-N 3.18Å
11	L	66.8	Low	88.5	Confident	165 Å²	165	59 Å²	59	86%	0.864	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-23.5	178.8	-72.6	164.8	0	0	0	114.1	W8	W8-L11 HydrophobicContact CZ2-CD2 4.38Å
12	V	66.5	Low	88.8	Confident	129 Å²	129	55.2 Å²	55.2	78%	0.782	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-44.3	-178	-179.3	0	0	0	0	111.6	N10	N10-V12 PolarHBondContact O-N 2.81Å; N10-V12 VanDerWaalsContact O-N 3.15Å; N10-V12 WeakPolarHBondContact OD1-CB 3.48Å; N10-V12 PolarHBondContact OD1-N 3.27Å; N10-V12 VanDerWaalsContact OD1-N 3.12Å
13	N	76.7	Confident	88.6	Confident	89 Å²	89	53.7 Å²	53.7	48%	0.476	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.7	-14.1	-173.8	-62.8	-49.2	0	0	0	113	T9 N10 Q16	T9-N13 WeakPolarHBondContact OG1-CB 3.47Å; N10-N13 PolarHBondContact ND2-ND2 2.93Å; N10-N13 PolarHBondContact O-N 3.15Å; N10-N13 WeakPolarHBondContact OD1-CB 3.41Å; N10-N13 PolarHBondContact OD1-N 3.21Å; N10-N13 PolarHBondContact OD1-ND2 2.72Å; N13-Q16 HydrophobicContact CB-CG 4.27Å; N13-Q16 PolarHBondContact O-NE2 2.81Å
14	G	81.9	Confident	88.1	Confident	14 Å²	14	56 Å²	56	14%	0.144	28%	0.28	C	S	.	.			trans	56.2	-140.1	-179.3	0	0	0	0	0	113.9	T9 N10	T9-G14 PolarHBondContact N-O 3.4Å; T9-G14 PolarHBondContact OG1-O 3.09Å; N10-G14 VanDerWaalsContact O-CA 3.28Å; N10-G14 WeakPolarHBondContact O-CA 3.02Å; N10-G14 PolarHBondContact O-N 3.18Å
15	W	91.3	Very high	87.4	Confident	95 Å²	95	59.8 Å²	59.8	36%	0.36	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	129.9	173	-69.9	105.6	0	0	0	111.1	W8 T63 H74 Q76	W8-W15 HydrophobicContact CB-CD2 4.32Å; W8-W15 HydrophobicContact CB-CE3 4.07Å; W8-W15 HydrophobicContact CB-CH2 4.2Å; W8-W15 HydrophobicContact CB-CZ2 4.41Å; W8-W15 HydrophobicContact CB-CZ3 4.01Å; W8-W15 AromaticContact CE3-CD1 3.51Å; W8-W15 AromaticContact CE3-CD2 3.8Å; W8-W15 HydrophobicContact CE3-CD2 3.8Å; W8-W15 AromaticContact CE3-CE2 3.63Å; W8-W15 AromaticContact CE3-CG 3.72Å; W8-W15 HydrophobicContact CE3-CG 3.72Å; W8-W15 HydrophobicContact CE3-CZ2 4.35Å; W8-W15 AromaticContact CE3-NE1 3.43Å; W8-W15 AromaticContact CZ3-CD1 3.56Å; W8-W15 HydrophobicContact CZ3-CG 4.17Å; W8-W15 AromaticContact CZ3-NE1 3.63Å; W8-W15 VanDerWaalsContact N-CE3 3.26Å; W15-T63 HydrophobicContact CH2-CG2 4.31Å; W15-H74 HydrophobicContact CH2-CB 3.72Å; W15-H74 HydrophobicContact CZ2-CB 4.48Å; W15-H74 HydrophobicContact CZ3-CB 4.29Å; W15-H74 WeakPolarHBondContact CZ3-O 3.47Å; W15-Q76 HydrophobicContact CE3-CB 4.26Å; W15-Q76 HydrophobicContact CH2-CB 4.17Å; W15-Q76 HydrophobicContact CZ3-CB 3.9Å
16	Q	90.9	Very high	86.7	Confident	65 Å²	65	65 Å²	65	30%	0.304	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	128.6	-179.4	-68.8	-72.8	-49.9	0	0	109.9	K7 T9 N13 R18	K7-Q16 PolarHBondContact N-O 3.4Å; K7-Q16 PolarHBondContact O-N 3.49Å; T9-Q16 HydrophobicContact CG2-CB 3.78Å; T9-Q16 HydrophobicContact CG2-CG 3.71Å; T9-Q16 WeakPolarHBondContact OG1-CG 2.88Å; N13-Q16 HydrophobicContact CB-CG 4.27Å; N13-Q16 PolarHBondContact O-NE2 2.81Å; Q16-R18 PolarHBondContact O-N 2.79Å
17	Y	92.6	Very high	86.3	Confident	127 Å²	127	63.8 Å²	63.8	50%	0.498	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	134.2	174.1	-168.8	-94.3	0	0	0	111	P4	P4-Y17 HydrophobicContact CB-CE1 3.95Å; P4-Y17 HydrophobicContact CB-CE2 3.5Å; P4-Y17 WeakPolarHBondContact CB-OH 3.44Å; P4-Y17 HydrophobicContact CG-CE2 4.48Å
18	R	95.6	Very high	86.2	Confident	41 Å²	41	63.8 Å²	63.8	16%	0.155	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	151.2	178.1	-61.5	-65.6	175.3	-112.5	1.5	109.9	L5 K7 Q16 F20 Y32	L5-R18 PolarHBondContact N-O 2.99Å; L5-R18 PolarHBondContact O-N 3.28Å; K7-R18 HydrophobicContact CB-CG 4.3Å; Q16-R18 PolarHBondContact O-N 2.79Å; R18-F20 HydrophobicContact CB-CD2 4.08Å; R18-F20 HydrophobicContact CB-CE2 3.53Å; R18-F20 HydrophobicContact CB-CZ 4.2Å; R18-F20 HydrophobicContact CG-CE2 4.47Å; R18-Y32 WeakPolarHBondContact CA-O 3.35Å; R18-Y32 WeakPolarHBondContact CB-O 3.4Å; R18-Y32 VanDerWaalsContact CD-O 3.24Å; R18-Y32 WeakPolarHBondContact CD-O 3.32Å
19	W	97	Very high	86.6	Confident	31 Å²	31	59.3 Å²	59.3	12%	0.117	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	125.8	170.4	-164	-95.5	0	0	0	108.8	E2 P4 Y31 Y32 K35 M38	E2-W19 HydrophobicContact CG-CZ2 4.42Å; P4-W19 HydrophobicContact CB-CE3 4.17Å; P4-W19 HydrophobicContact CB-CZ3 4.12Å; P4-W19 HydrophobicContact CG-CZ3 4.24Å; W19-Y31 CarbonylContact O-C 3.48Å; W19-Y31 WeakPolarHBondContact O-CA 3.32Å; W19-Y32 PolarHBondContact N-O 3.36Å; W19-Y32 PolarHBondContact O-N 3.12Å; W19-K35 HydrophobicContact CD2-CB 3.79Å; W19-K35 HydrophobicContact CD2-CD 4.28Å; W19-K35 HydrophobicContact CD2-CG 3.94Å; W19-K35 HydrophobicContact CE3-CB 3.93Å; W19-K35 HydrophobicContact CE3-CD 4.35Å; W19-K35 HydrophobicContact CE3-CG 4.33Å; W19-K35 HydrophobicContact CG-CB 4.1Å; W19-K35 HydrophobicContact CG-CG 4.37Å; W19-K35 HydrophobicContact CH2-CD 3.74Å; W19-K35 HydrophobicContact CH2-CG 4.45Å; W19-K35 HydrophobicContact CZ2-CD 3.62Å; W19-K35 HydrophobicContact CZ2-CG 4.05Å; W19-K35 HydrophobicContact CZ3-CB 4.42Å; W19-K35 HydrophobicContact CZ3-CD 4.09Å; W19-M38 PolarHBondContact NE1-SD 3.3Å; W19-M38 VanDerWaalsContact NE1-SD 3.38Å
20	F	97.8	Very high	87.1	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	143.1	-178	-77.3	-97	0	0	0	111.2	E2 G3 L5 K7 R18 L29 S30 Y31 F75 W86	E2-F20 CarbonylContact C-O 3.47Å; E2-F20 WeakPolarHBondContact CA-O 3.5Å; E2-F20 WeakPolarHBondContact CB-O 3.43Å; G3-F20 PolarHBondContact N-O 2.99Å; G3-F20 PolarHBondContact O-N 3.5Å; L5-F20 HydrophobicContact CB-CD2 3.6Å; L5-F20 HydrophobicContact CB-CE2 3.64Å; L5-F20 HydrophobicContact CD1-CB 4.47Å; L5-F20 HydrophobicContact CD1-CD2 4.01Å; L5-F20 HydrophobicContact CD1-CE2 4.37Å; L5-F20 HydrophobicContact CD1-CG 4.13Å; L5-F20 HydrophobicContact CG-CD2 4.14Å; K7-F20 HydrophobicContact CB-CE2 4.41Å; K7-F20 HydrophobicContact CB-CZ 4.08Å; K7-F20 HydrophobicContact CD-CZ 4.24Å; K7-F20 HydrophobicContact CG-CZ 4.45Å; R18-F20 HydrophobicContact CB-CD2 4.08Å; R18-F20 HydrophobicContact CB-CE2 3.53Å; R18-F20 HydrophobicContact CB-CZ 4.2Å; R18-F20 HydrophobicContact CG-CE2 4.47Å; F20-L29 HydrophobicContact CB-CD1 4.2Å; F20-L29 HydrophobicContact CD1-CD1 3.87Å; F20-L29 HydrophobicContact CD1-CD2 3.94Å; F20-L29 HydrophobicContact CD1-CG 3.79Å; F20-L29 HydrophobicContact CE1-CD2 4.17Å; F20-L29 HydrophobicContact CE1-CG 4.37Å; F20-S30 CarbonylContact C-O 3.56Å; F20-S30 WeakPolarHBondContact CA-O 3.37Å; F20-Y31 HydrophobicContact CE1-CD1 4.09Å; F20-Y31 AromaticContact CE1-CG 3.99Å; F20-Y31 HydrophobicContact CE1-CG 3.99Å; F20-Y31 HydrophobicContact CZ-CG 4.23Å; F20-F75 HydrophobicContact CE1-CD1 4.07Å; F20-F75 AromaticContact CE1-CE1 3.47Å; F20-F75 HydrophobicContact CE1-CE1 3.47Å; F20-F75 VanDerWaalsContact CE1-CE1 3.47Å; F20-F75 HydrophobicContact CE1-CZ 4.39Å; F20-F75 HydrophobicContact CE2-CD1 4.35Å; F20-F75 HydrophobicContact CE2-CE1 4.46Å; F20-F75 AromaticContact CZ-CD1 3.68Å; F20-F75 HydrophobicContact CZ-CD1 3.68Å; F20-F75 AromaticContact CZ-CE1 3.41Å; F20-F75 HydrophobicContact CZ-CE1 3.41Å; F20-F75 VanDerWaalsContact CZ-CE1 3.41Å; F20-W86 HydrophobicContact CB-CH2 3.57Å; F20-W86 HydrophobicContact CB-CZ2 4.06Å; F20-W86 HydrophobicContact CB-CZ3 4.28Å
21	V	96.7	Very high	87.9	Confident	35 Å²	35	56.4 Å²	56.4	21%	0.212	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	114.6	174.8	-176.1	0	0	0	0	107.8	E2 S30 Y32 M38	E2-V21 HydrophobicContact CB-CB 4.43Å; E2-V21 HydrophobicContact CB-CG1 4.45Å; E2-V21 HydrophobicContact CB-CG2 3.99Å; V21-S30 PolarHBondContact N-O 3.07Å; V21-S30 PolarHBondContact O-N 3.2Å; V21-Y32 HydrophobicContact CB-CE2 4.33Å; V21-Y32 HydrophobicContact CG2-CD2 4.34Å; V21-Y32 HydrophobicContact CG2-CE2 3.88Å; V21-M38 HydrophobicContact CG2-CG 3.81Å; V21-M38 HydrophobicContact CG2-SD 3.51Å; V21-M38 VanDerWaalsContact CG2-SD 3.51Å
22	L	96.3	Very high	89.4	Confident	4 Å²	4	49.9 Å²	49.9	2%	0.021	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	115.6	171.8	174.8	61	0	0	0	109.7	M1 I24 L29 L49 W86 A89 L90 A93	M1-L22 HydrophobicContact CB-CB 4.25Å; M1-L22 PolarHBondContact N-O 3.49Å; M1-L22 PolarHBondContact O-N 3.28Å; L22-I24 HydrophobicContact CD2-CG1 4.34Å; L22-I24 HydrophobicContact CG-CG1 4.25Å; L22-L29 HydrophobicContact CB-CD1 3.97Å; L22-L29 HydrophobicContact CD1-CB 4.42Å; L22-L29 HydrophobicContact CD1-CD1 4.5Å; L22-L49 HydrophobicContact CD1-CD1 3.38Å; L22-W86 HydrophobicContact CB-CZ3 4.07Å; L22-A89 HydrophobicContact CD2-CB 3.74Å; L22-A89 WeakPolarHBondContact CD2-O 3.09Å; L22-L90 HydrophobicContact CD1-CD2 4.13Å; L22-L90 HydrophobicContact CD2-CD2 4.14Å; L22-L90 HydrophobicContact CD2-CG 4.47Å; L22-A93 HydrophobicContact CD1-CB 4.03Å; L22-A93 HydrophobicContact CD2-CB 4.4Å
23	D	89.1	Confident	90.5	Very high	59 Å²	59	46.6 Å²	46.6	32%	0.316	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	103.7	168.2	-168.7	-34.6	0	0	0	109.1	S25 L26 G27 V28	D23-S25 VanDerWaalsContact C-N 3.28Å; D23-S25 PolarHBondContact O-N 2.63Å; D23-S25 WeakPolarHBondContact OD1-CA 3.47Å; D23-S25 WeakPolarHBondContact OD1-CB 3.18Å; D23-S25 PolarHBondContact OD1-N 3.1Å; D23-S25 PolarHBondContact OD1-OG 3.38Å; D23-L26 HydrophobicContact CB-CB 4.15Å; D23-L26 HydrophobicContact CB-CG 4.48Å; D23-L26 PolarHBondContact O-N 2.92Å; D23-L26 PolarHBondContact OD1-N 3.36Å; D23-L26 WeakPolarHBondContact OD2-CD1 3.33Å; D23-G27 WeakPolarHBondContact O-CA 3.38Å; D23-G27 PolarHBondContact O-N 3.41Å; D23-V28 PolarHBondContact N-O 3.22Å; D23-V28 PolarHBondContact O-N 3.49Å
24	I	83.6	Confident	91.1	Very high	52 Å²	52	44 Å²	44	27%	0.267	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-34.8	179.7	-62.2	172.2	0	0	0	110.3	L22 L26 G27 A93 L96 H97	L22-I24 HydrophobicContact CD2-CG1 4.34Å; L22-I24 HydrophobicContact CG-CG1 4.25Å; I24-L26 VanDerWaalsContact C-N 3.34Å; I24-L26 PolarHBondContact O-N 3.49Å; I24-G27 PolarHBondContact O-N 3.13Å; I24-A93 HydrophobicContact CG1-CB 4.44Å; I24-L96 HydrophobicContact CG2-CD2 4.04Å; I24-H97 PolarHBondContact O-CD2 2.9Å; I24-H97 PolarHBondContact O-NE2 3.13Å
25	S	77.9	Confident	91.7	Very high	88 Å²	88	47.5 Å²	47.5	62%	0.615	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-31.5	-178.4	74.8	0	0	0	0	112.5	D23 H97	D23-S25 VanDerWaalsContact C-N 3.28Å; D23-S25 PolarHBondContact O-N 2.63Å; D23-S25 WeakPolarHBondContact OD1-CA 3.47Å; D23-S25 WeakPolarHBondContact OD1-CB 3.18Å; D23-S25 PolarHBondContact OD1-N 3.1Å; D23-S25 PolarHBondContact OD1-OG 3.38Å; S25-H97 PolarHBondContact O-CE1 3.14Å; S25-H97 PolarHBondContact O-NE2 3.44Å; S25-H97 VanDerWaalsContact O-NE2 3.08Å
26	L	80.3	Confident	91.5	Very high	112 Å²	112	48.6 Å²	48.6	59%	0.586	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.4	-15.6	177.1	-61.9	-178.7	0	0	0	113.8	D23 I24 V28	D23-L26 HydrophobicContact CB-CB 4.15Å; D23-L26 HydrophobicContact CB-CG 4.48Å; D23-L26 PolarHBondContact O-N 2.92Å; D23-L26 PolarHBondContact OD1-N 3.36Å; D23-L26 WeakPolarHBondContact OD2-CD1 3.33Å; I24-L26 VanDerWaalsContact C-N 3.34Å; I24-L26 PolarHBondContact O-N 3.49Å; L26-V28 VanDerWaalsContact C-N 3.32Å; L26-V28 HydrophobicContact CB-CB 4.43Å; L26-V28 HydrophobicContact CB-CG2 4.14Å
27	G	86.9	Confident	91.5	Very high	3 Å²	3	49 Å²	49	3%	0.031	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.1	34.4	-176.9	0	0	0	0	0	112	D23 I24 L49 H97	D23-G27 WeakPolarHBondContact O-CA 3.38Å; D23-G27 PolarHBondContact O-N 3.41Å; I24-G27 PolarHBondContact O-N 3.13Å; G27-L49 WeakPolarHBondContact O-CB 3.28Å; G27-L49 PolarHBondContact O-N 3.25Å; G27-H97 WeakPolarHBondContact CA-CD2 3.46Å; G27-H97 WeakPolarHBondContact CA-NE2 3.24Å; G27-H97 PolarHBondContact N-CE1 3Å; G27-H97 PolarHBondContact N-NE2 2.92Å
28	V	92	Very high	91.5	Very high	23 Å²	23	44.1 Å²	44.1	14%	0.139	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	126.2	-173.7	-179.9	0	0	0	0	110.7	D23 L26 C46 K48	D23-V28 PolarHBondContact N-O 3.22Å; D23-V28 PolarHBondContact O-N 3.49Å; L26-V28 VanDerWaalsContact C-N 3.32Å; L26-V28 HydrophobicContact CB-CB 4.43Å; L26-V28 HydrophobicContact CB-CG2 4.14Å; V28-C46 HydrophobicContact CG1-CB 3.61Å; V28-K48 HydrophobicContact CG2-CG 4.36Å
29	L	96	Very high	91	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	103.9	169.4	-178.6	67.4	0	0	0	109.6	F20 L22 C46 V47 L49 I66 F75 W86 L90	F20-L29 HydrophobicContact CB-CD1 4.2Å; F20-L29 HydrophobicContact CD1-CD1 3.87Å; F20-L29 HydrophobicContact CD1-CD2 3.94Å; F20-L29 HydrophobicContact CD1-CG 3.79Å; F20-L29 HydrophobicContact CE1-CD2 4.17Å; F20-L29 HydrophobicContact CE1-CG 4.37Å; L22-L29 HydrophobicContact CB-CD1 3.97Å; L22-L29 HydrophobicContact CD1-CB 4.42Å; L22-L29 HydrophobicContact CD1-CD1 4.5Å; L29-C46 CarbonylContact O-C 3.48Å; L29-C46 WeakPolarHBondContact O-CA 3.45Å; L29-V47 HydrophobicContact CB-CB 4.49Å; L29-V47 PolarHBondContact N-O 3.24Å; L29-V47 PolarHBondContact O-N 3.39Å; L29-L49 HydrophobicContact CB-CD1 4.34Å; L29-L49 HydrophobicContact CB-CD2 4.2Å; L29-L49 HydrophobicContact CB-CG 4.39Å; L29-I66 HydrophobicContact CD2-CD1 3.75Å; L29-F75 HydrophobicContact CD2-CZ 4.49Å; L29-W86 HydrophobicContact CD1-CH2 4.45Å; L29-W86 HydrophobicContact CD1-CZ3 3.77Å; L29-L90 HydrophobicContact CB-CD2 4.38Å; L29-L90 HydrophobicContact CD1-CD2 4.2Å; L29-L90 HydrophobicContact CD2-CD2 3.94Å; L29-L90 HydrophobicContact CG-CD2 4.39Å
30	S	95.2	Very high	90.3	Very high	13 Å²	13	56.3 Å²	56.3	9%	0.091	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	148.1	177	-64.2	0	0	0	0	111.5	F20 V21 R43	F20-S30 CarbonylContact C-O 3.56Å; F20-S30 WeakPolarHBondContact CA-O 3.37Å; V21-S30 PolarHBondContact N-O 3.07Å; V21-S30 PolarHBondContact O-N 3.2Å; S30-R43 WeakPolarHBondContact OG-CD 3.43Å
31	Y	95.2	Very high	89.5	Confident	40 Å²	40	58.8 Å²	58.8	16%	0.157	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	149.9	176.1	67	-91.6	0	0	0	113.6	W19 F20 R44 G45	W19-Y31 CarbonylContact O-C 3.48Å; W19-Y31 WeakPolarHBondContact O-CA 3.32Å; F20-Y31 HydrophobicContact CE1-CD1 4.09Å; F20-Y31 AromaticContact CE1-CG 3.99Å; F20-Y31 HydrophobicContact CE1-CG 3.99Å; F20-Y31 HydrophobicContact CZ-CG 4.23Å; Y31-R44 HydrophobicContact CD2-CB 4.03Å; Y31-R44 HydrophobicContact CD2-CG 4.18Å; Y31-R44 HydrophobicContact CE2-CB 3.99Å; Y31-R44 HydrophobicContact CE2-CG 3.73Å; Y31-R44 WeakPolarHBondContact O-CB 3.45Å; Y31-R44 PolarHBondContact O-N 2.87Å; Y31-G45 WeakPolarHBondContact CD1-O 3.28Å; Y31-G45 VanDerWaalsContact CE1-C 3.48Å; Y31-G45 PolarHBondContact N-O 3.34Å; Y31-G45 PolarHBondContact O-N 3.29Å
32	Y	97.1	Very high	89.2	Confident	28 Å²	28	60.7 Å²	60.7	11%	0.11	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	154.4	-172.4	-56.5	-100.3	0	0	0	109.7	R18 W19 V21 S34 M38 D42 R43	R18-Y32 WeakPolarHBondContact CA-O 3.35Å; R18-Y32 WeakPolarHBondContact CB-O 3.4Å; R18-Y32 VanDerWaalsContact CD-O 3.24Å; R18-Y32 WeakPolarHBondContact CD-O 3.32Å; W19-Y32 PolarHBondContact N-O 3.36Å; W19-Y32 PolarHBondContact O-N 3.12Å; V21-Y32 HydrophobicContact CB-CE2 4.33Å; V21-Y32 HydrophobicContact CG2-CD2 4.34Å; V21-Y32 HydrophobicContact CG2-CE2 3.88Å; Y32-S34 VanDerWaalsContact C-N 3.26Å; Y32-S34 PolarHBondContact O-N 2.89Å; Y32-M38 HydrophobicContact CD1-CB 3.77Å; Y32-M38 HydrophobicContact CD1-CG 4.24Å; Y32-M38 HydrophobicContact CD2-CB 3.79Å; Y32-M38 HydrophobicContact CD2-CG 3.78Å; Y32-M38 HydrophobicContact CE1-CB 4.12Å; Y32-M38 HydrophobicContact CE1-CG 4.14Å; Y32-M38 HydrophobicContact CE2-CB 4.18Å; Y32-M38 HydrophobicContact CE2-CG 3.71Å; Y32-M38 HydrophobicContact CG-CB 3.6Å; Y32-M38 HydrophobicContact CG-CG 4.08Å; Y32-D42 WeakPolarHBondContact CD1-O 3.43Å; Y32-R43 HydrophobicContact CD1-CB 4.29Å; Y32-R43 HydrophobicContact CE1-CB 3.62Å; Y32-R43 HydrophobicContact CE1-CG 4.09Å
33	T	90.1	Very high	89	Confident	60 Å²	60	67.4 Å²	67.4	37%	0.368	34%	0.342	S	S	.	.	S	Bend	trans	-69.4	-25.1	179.1	52.3	0	0	0	0	113	R44	T33-R44 HydrophobicContact CG2-CB 4.47Å; T33-R44 HydrophobicContact CG2-CG 4.27Å
34	S	90.1	Very high	89	Confident	33 Å²	33	72.8 Å²	72.8	23%	0.231	36%	0.358	C	S	.	.	S	Bend	trans	-157.8	170.1	173.4	80.3	0	0	0	0	110.8	Y32 E36 K37 M38	Y32-S34 VanDerWaalsContact C-N 3.26Å; Y32-S34 PolarHBondContact O-N 2.89Å; S34-E36 VanDerWaalsContact C-N 3.32Å; S34-E36 WeakPolarHBondContact CB-OE2 3.37Å; S34-E36 PolarHBondContact O-N 3.3Å; S34-E36 PolarHBondContact OG-N 3.13Å; S34-E36 PolarHBondContact OG-OE2 3.26Å; S34-K37 PolarHBondContact O-N 3.16Å; S34-K37 PolarHBondContact OG-N 3.41Å; S34-M38 PolarHBondContact O-N 2.77Å
35	K	93	Very high	89.4	Confident	89 Å²	89	71.1 Å²	71.1	39%	0.387	35%	0.353	S	S	.	.	H	α-helix	trans	-64.5	-36.9	175.9	-170.9	175.1	-172.7	170.5	0	111.9	W19 K37 M38 M39	W19-K35 HydrophobicContact CD2-CB 3.79Å; W19-K35 HydrophobicContact CD2-CD 4.28Å; W19-K35 HydrophobicContact CD2-CG 3.94Å; W19-K35 HydrophobicContact CE3-CB 3.93Å; W19-K35 HydrophobicContact CE3-CD 4.35Å; W19-K35 HydrophobicContact CE3-CG 4.33Å; W19-K35 HydrophobicContact CG-CB 4.1Å; W19-K35 HydrophobicContact CG-CG 4.37Å; W19-K35 HydrophobicContact CH2-CD 3.74Å; W19-K35 HydrophobicContact CH2-CG 4.45Å; W19-K35 HydrophobicContact CZ2-CD 3.62Å; W19-K35 HydrophobicContact CZ2-CG 4.05Å; W19-K35 HydrophobicContact CZ3-CB 4.42Å; W19-K35 HydrophobicContact CZ3-CD 4.09Å; K35-K37 VanDerWaalsContact C-N 3.29Å; K35-K37 PolarHBondContact O-N 2.98Å; K35-M38 WeakPolarHBondContact O-CB 3.44Å; K35-M38 PolarHBondContact O-N 2.95Å; K35-M39 WeakPolarHBondContact O-CG 3.49Å; K35-M39 PolarHBondContact O-N 3.14Å
36	E	88.6	Confident	90.1	Very high	117 Å²	117	69.3 Å²	69.3	55%	0.547	34%	0.34	S	S	.	.	H	α-helix	trans	-64.2	-36.3	178.3	-56.8	70.1	-148	0	0	111.5	S34 M39 R40	S34-E36 VanDerWaalsContact C-N 3.32Å; S34-E36 WeakPolarHBondContact CB-OE2 3.37Å; S34-E36 PolarHBondContact O-N 3.3Å; S34-E36 PolarHBondContact OG-N 3.13Å; S34-E36 PolarHBondContact OG-OE2 3.26Å; E36-M39 PolarHBondContact O-N 3.04Å; E36-R40 WeakPolarHBondContact O-CG 3.42Å; E36-R40 PolarHBondContact O-N 3.29Å
37	K	90.6	Very high	90.6	Very high	73 Å²	73	64.2 Å²	64.2	32%	0.317	31%	0.314	S	S	.	.	H	α-helix	trans	-69.2	-36.4	174.9	-76.4	-71.9	-165.8	179.2	0	112.2	S34 K35 R40 G41 D42	S34-K37 PolarHBondContact O-N 3.16Å; S34-K37 PolarHBondContact OG-N 3.41Å; K35-K37 VanDerWaalsContact C-N 3.29Å; K35-K37 PolarHBondContact O-N 2.98Å; K37-R40 PolarHBondContact O-N 2.89Å; K37-G41 PolarHBondContact O-N 2.98Å; K37-D42 HydrophobicContact CB-CB 4.25Å; K37-D42 HydrophobicContact CD-CB 3.73Å; K37-D42 WeakPolarHBondContact CD-OD2 3.46Å; K37-D42 IonicContact NZ-OD2 3.76Å; K37-D42 PolarHBondContact NZ-OD2 3.25Å; K37-D42 PolarHBondContact O-N 2.78Å
38	M	91.5	Very high	90.7	Very high	26 Å²	26	71.1 Å²	71.1	13%	0.128	34%	0.343	C	S	.	.	H	α-helix	trans	-60.9	-46.2	170.7	-177.8	-138.3	72	0	0	111.8	W19 V21 Y32 S34 K35 R40 G41	W19-M38 PolarHBondContact NE1-SD 3.3Å; W19-M38 VanDerWaalsContact NE1-SD 3.38Å; V21-M38 HydrophobicContact CG2-CG 3.81Å; V21-M38 HydrophobicContact CG2-SD 3.51Å; V21-M38 VanDerWaalsContact CG2-SD 3.51Å; Y32-M38 HydrophobicContact CD1-CB 3.77Å; Y32-M38 HydrophobicContact CD1-CG 4.24Å; Y32-M38 HydrophobicContact CD2-CB 3.79Å; Y32-M38 HydrophobicContact CD2-CG 3.78Å; Y32-M38 HydrophobicContact CE1-CB 4.12Å; Y32-M38 HydrophobicContact CE1-CG 4.14Å; Y32-M38 HydrophobicContact CE2-CB 4.18Å; Y32-M38 HydrophobicContact CE2-CG 3.71Å; Y32-M38 HydrophobicContact CG-CB 3.6Å; Y32-M38 HydrophobicContact CG-CG 4.08Å; S34-M38 PolarHBondContact O-N 2.77Å; K35-M38 WeakPolarHBondContact O-CB 3.44Å; K35-M38 PolarHBondContact O-N 2.95Å; M38-R40 PolarHBondContact O-N 3.29Å; M38-R40 VanDerWaalsContact O-N 3.16Å; M38-G41 PolarHBondContact O-N 2.81Å
39	M	85	Confident	90.5	Very high	144 Å²	144	70.1 Å²	70.1	71%	0.709	34%	0.337	S	S	*	.	H	α-helix	trans	-60.5	-25.8	177.5	-65.7	-62.9	-69.6	0	0	113.2	K35 E36	K35-M39 WeakPolarHBondContact O-CG 3.49Å; K35-M39 PolarHBondContact O-N 3.14Å; E36-M39 PolarHBondContact O-N 3.04Å
40	R	82.5	Confident	89.8	Confident	184 Å²	184	73.8 Å²	73.8	69%	0.694	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-6.3	174.6	-65.1	178.2	-166.4	-174.9	4.3	113.8	E36 K37 M38 D42	E36-R40 WeakPolarHBondContact O-CG 3.42Å; E36-R40 PolarHBondContact O-N 3.29Å; K37-R40 PolarHBondContact O-N 2.89Å; M38-R40 PolarHBondContact O-N 3.29Å; M38-R40 VanDerWaalsContact O-N 3.16Å; R40-D42 VanDerWaalsContact C-N 3.32Å
41	G	81.8	Confident	89.2	Confident	52 Å²	52	78.2 Å²	78.2	54%	0.536	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.8	8.3	-175.1	0	0	0	0	0	115	K37 M38 R43	K37-G41 PolarHBondContact O-N 2.98Å; M38-G41 PolarHBondContact O-N 2.81Å; G41-R43 VanDerWaalsContact C-N 3.26Å; G41-R43 PolarHBondContact O-N 3.32Å
42	D	89.7	Confident	88.9	Confident	75 Å²	75	76.5 Å²	76.5	40%	0.401	37%	0.369	S	S	.	.			trans	-75.4	69.8	-177.1	-76.1	-10.2	0	0	0	111.6	Y32 K37 R40 R44	Y32-D42 WeakPolarHBondContact CD1-O 3.43Å; K37-D42 HydrophobicContact CB-CB 4.25Å; K37-D42 HydrophobicContact CD-CB 3.73Å; K37-D42 WeakPolarHBondContact CD-OD2 3.46Å; K37-D42 IonicContact NZ-OD2 3.76Å; K37-D42 PolarHBondContact NZ-OD2 3.25Å; K37-D42 PolarHBondContact O-N 2.78Å; R40-D42 VanDerWaalsContact C-N 3.32Å; D42-R44 PolarHBondContact O-N 3.32Å
43	R	92.3	Very high	88.5	Confident	145 Å²	145	81.7 Å²	81.7	55%	0.547	39%	0.394	S	S	.	.			trans	-67	125.9	-176.3	-172.5	175	64.8	-174.4	-1.7	112	S30 Y32 G41	S30-R43 WeakPolarHBondContact OG-CD 3.43Å; Y32-R43 HydrophobicContact CD1-CB 4.29Å; Y32-R43 HydrophobicContact CE1-CB 3.62Å; Y32-R43 HydrophobicContact CE1-CG 4.09Å; G41-R43 VanDerWaalsContact C-N 3.26Å; G41-R43 PolarHBondContact O-N 3.32Å
44	R	89.7	Confident	88.4	Confident	172 Å²	172	80.8 Å²	80.8	65%	0.649	39%	0.389	S	S	*	.			trans	-82	-37.2	179.1	-175.7	58.4	175.7	151.7	-1.1	112.4	Y31 T33 D42	Y31-R44 HydrophobicContact CD2-CB 4.03Å; Y31-R44 HydrophobicContact CD2-CG 4.18Å; Y31-R44 HydrophobicContact CE2-CB 3.99Å; Y31-R44 HydrophobicContact CE2-CG 3.73Å; Y31-R44 WeakPolarHBondContact O-CB 3.45Å; Y31-R44 PolarHBondContact O-N 2.87Å; T33-R44 HydrophobicContact CG2-CB 4.47Å; T33-R44 HydrophobicContact CG2-CG 4.27Å; D42-R44 PolarHBondContact O-N 3.32Å
45	G	91.3	Very high	88.2	Confident	17 Å²	17	80.4 Å²	80.4	18%	0.175	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-176	175.8	176.5	0	0	0	0	0	111.3	Y31	Y31-G45 WeakPolarHBondContact CD1-O 3.28Å; Y31-G45 VanDerWaalsContact CE1-C 3.48Å; Y31-G45 PolarHBondContact N-O 3.34Å; Y31-G45 PolarHBondContact O-N 3.29Å
46	C	93.2	Very high	87.9	Confident	50 Å²	50	80.4 Å²	80.4	34%	0.338	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	156.9	174.8	62.3	0	0	0	0	111.3	V28 L29	V28-C46 HydrophobicContact CG1-CB 3.61Å; L29-C46 CarbonylContact O-C 3.48Å; L29-C46 WeakPolarHBondContact O-CA 3.45Å
47	V	90.5	Very high	87.4	Confident	5 Å²	5	78.1 Å²	78.1	3%	0.03	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	125.7	174.9	-176.9	0	0	0	0	107.5	L29 L49 I66 V68 F73	L29-V47 HydrophobicContact CB-CB 4.49Å; L29-V47 PolarHBondContact N-O 3.24Å; L29-V47 PolarHBondContact O-N 3.39Å; V47-L49 HydrophobicContact CG1-CD2 4.42Å; V47-I66 HydrophobicContact CG1-CG2 4.42Å; V47-V68 HydrophobicContact CG1-CB 4.28Å; V47-V68 HydrophobicContact CG1-CG2 3.73Å; V47-F73 HydrophobicContact CG1-CD2 4.44Å; V47-F73 HydrophobicContact CG1-CE2 4.29Å; V47-F73 HydrophobicContact CG2-CD2 4.07Å; V47-F73 HydrophobicContact CG2-CE1 4.44Å; V47-F73 HydrophobicContact CG2-CE2 3.93Å; V47-F73 HydrophobicContact CG2-CG 4.39Å; V47-F73 HydrophobicContact CG2-CZ 4.11Å
48	K	89	Confident	86.7	Confident	148 Å²	148	82.5 Å²	82.5	64%	0.643	41%	0.412	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.2	129.5	171.8	-66.1	-177.4	178.9	-179.9	0	108	V28 V68	V28-K48 HydrophobicContact CG2-CG 4.36Å; K48-V68 WeakPolarHBondContact O-CG1 3.4Å; K48-V68 WeakPolarHBondContact O-CG2 3.05Å
49	L	88.5	Confident	85.9	Confident	2 Å²	2	90.4 Å²	90.4	1%	0.01	45%	0.449	C	S	.	.			trans	-90.7	-2	-171.3	-61.5	176.3	0	0	0	113.9	L22 G27 L29 V47 N51 A52 I66 L90 A93 R94	L22-L49 HydrophobicContact CD1-CD1 3.38Å; G27-L49 WeakPolarHBondContact O-CB 3.28Å; G27-L49 PolarHBondContact O-N 3.25Å; L29-L49 HydrophobicContact CB-CD1 4.34Å; L29-L49 HydrophobicContact CB-CD2 4.2Å; L29-L49 HydrophobicContact CB-CG 4.39Å; V47-L49 HydrophobicContact CG1-CD2 4.42Å; L49-N51 PolarHBondContact O-N 2.73Å; L49-A52 HydrophobicContact CB-CB 4.41Å; L49-A52 HydrophobicContact CD2-CB 4.31Å; L49-A52 WeakPolarHBondContact O-CB 3.45Å; L49-A52 PolarHBondContact O-N 2.97Å; L49-I66 HydrophobicContact CD2-CD1 4.44Å; L49-I66 HydrophobicContact CD2-CG2 4.33Å; L49-L90 HydrophobicContact CD1-CD2 3.61Å; L49-L90 HydrophobicContact CD2-CD2 4.01Å; L49-L90 HydrophobicContact CG-CD2 4.48Å; L49-A93 HydrophobicContact CD1-CB 3.93Å; L49-R94 WeakPolarHBondContact O-CG 3.33Å
50	K	81.9	Confident	85.6	Confident	76 Å²	76	85.7 Å²	85.7	33%	0.33	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	125.9	173.1	176.6	-177.8	173.1	-178.8	0	109.7	A52 Y101	K50-A52 PolarHBondContact O-N 3.18Å; K50-Y101 HydrophobicContact CD-CD2 4.42Å; K50-Y101 HydrophobicContact CD-CG 4.43Å
51	N	82.5	Confident	85.7	Confident	106 Å²	106	81.4 Å²	81.4	57%	0.567	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.9	18.6	-177.7	-58.8	-18.5	0	0	0	114.4	L49 Q53 T98	L49-N51 PolarHBondContact O-N 2.73Å; N51-Q53 PolarHBondContact O-N 3.03Å; N51-T98 PolarHBondContact N-OG1 3.24Å; N51-T98 WeakPolarHBondContact OD1-CG2 3.39Å
52	A	88.5	Confident	86	Confident	4 Å²	4	79.5 Å²	79.5	3%	0.033	40%	0.396	C	S	.	.			trans	-67	132.6	179.3	0	0	0	0	0	110.6	L49 K50 I66 T67 V68 R94	L49-A52 HydrophobicContact CB-CB 4.41Å; L49-A52 HydrophobicContact CD2-CB 4.31Å; L49-A52 WeakPolarHBondContact O-CB 3.45Å; L49-A52 PolarHBondContact O-N 2.97Å; K50-A52 PolarHBondContact O-N 3.18Å; A52-I66 HydrophobicContact CB-CG2 3.93Å; A52-T67 WeakPolarHBondContact CA-O 3.45Å; A52-V68 HydrophobicContact CB-CG2 3.43Å; A52-V68 VanDerWaalsContact CB-CG2 3.43Å; A52-R94 WeakPolarHBondContact O-CD 3.46Å
53	Q	87.7	Confident	86.1	Confident	137 Å²	137	76.4 Å²	76.4	64%	0.64	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.8	128.7	172	-68	177.2	-12.8	0	0	108.8	N51 I66 T67	N51-Q53 PolarHBondContact O-N 3.03Å; Q53-I66 CarbonylContact O-C 3.52Å; Q53-I66 WeakPolarHBondContact O-CA 3.37Å; Q53-T67 PolarHBondContact N-O 3Å; Q53-T67 PolarHBondContact O-N 2.87Å
54	V	88.5	Confident	86.2	Confident	41 Å²	41	69.5 Å²	69.5	25%	0.248	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	122.9	178.2	-175.3	0	0	0	0	107.7	T65 L87	V54-T65 CarbonylContact C-O 3.55Å; V54-T65 VanDerWaalsContact CA-O 3.31Å; V54-T65 WeakPolarHBondContact CA-O 3.47Å; V54-L87 HydrophobicContact CG1-CD2 3.29Å
55	G	85.9	Confident	86.4	Confident	26 Å²	26	62.8 Å²	62.8	27%	0.268	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	136	177.1	0	0	0	0	0	110.3	F64 T65	G55-F64 CarbonylContact O-C 3.58Å; G55-F64 VanDerWaalsContact O-CA 3.32Å; G55-F64 WeakPolarHBondContact O-CA 3.47Å; G55-F64 WeakPolarHBondContact O-CB 3.43Å; G55-T65 WeakPolarHBondContact CA-OG1 3.32Å; G55-T65 PolarHBondContact N-O 2.78Å; G55-T65 PolarHBondContact O-N 3.15Å; G55-T65 PolarHBondContact O-OG1 3.34Å
56	I	87.1	Confident	86.5	Confident	89 Å²	89	62 Å²	62	46%	0.456	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	143.5	175.3	-54.6	174.1	0	0	0	107.2	L87	I56-L87 HydrophobicContact CD1-CD1 3.67Å; I56-L87 HydrophobicContact CG1-CD1 3.87Å; I56-L87 HydrophobicContact CG1-CD2 4.37Å
57	D	78.1	Confident	86.3	Confident	69 Å²	69	61.2 Å²	61.2	37%	0.369	32%	0.317	S	S	.	.			trans	-83.6	127.4	172	-161.4	-62	0	0	0	109.3	E59 D60 T63	D57-E59 VanDerWaalsContact C-N 3.35Å; D57-E59 WeakPolarHBondContact OD1-CB 3.44Å; D57-E59 PolarHBondContact OD1-N 2.68Å; D57-D60 HydrophobicContact CB-CB 4.45Å; D57-D60 VanDerWaalsContact O-O 3.12Å; D57-D60 PolarHBondContact OD1-N 2.98Å; D57-T63 HydrophobicContact CB-CG2 4.25Å; D57-T63 PolarHBondContact N-O 3.17Å
58	D	74.7	Confident	86.1	Confident	164 Å²	164	61.7 Å²	61.7	88%	0.877	32%	0.32	S	S	*	.	S	Bend	trans	-80.2	-19	-178.1	-66.2	-26.7	0	0	0	112.2
59	E	74.8	Confident	85.8	Confident	193 Å²	193	61.1 Å²	61.1	90%	0.902	32%	0.324	S	S	*	.	S	Bend	trans	-93	-27.8	-179.4	-59.6	-172.2	174.2	0	0	112.4	D57	D57-E59 VanDerWaalsContact C-N 3.35Å; D57-E59 WeakPolarHBondContact OD1-CB 3.44Å; D57-E59 PolarHBondContact OD1-N 2.68Å
60	D	79.8	Confident	85.5	Confident	45 Å²	45	70.4 Å²	70.4	24%	0.241	37%	0.367	C	S	.	.			trans	-118.9	125.2	-178.6	179.9	5.1	0	0	0	112.5	D57 S62 T63 Q76 R83	D57-D60 HydrophobicContact CB-CB 4.45Å; D57-D60 VanDerWaalsContact O-O 3.12Å; D57-D60 PolarHBondContact OD1-N 2.98Å; D60-S62 VanDerWaalsContact CG-OG 3.31Å; D60-S62 PolarHBondContact O-N 3.46Å; D60-S62 PolarHBondContact OD1-N 3.18Å; D60-S62 PolarHBondContact OD1-OG 3.17Å; D60-S62 PolarHBondContact OD2-OG 3.19Å; D60-S62 VanDerWaalsContact OD2-OG 3.13Å; D60-T63 VanDerWaalsContact OD2-CB 3.25Å; D60-T63 WeakPolarHBondContact OD2-CB 3.33Å; D60-T63 PolarHBondContact OD2-OG1 3.49Å; D60-Q76 PolarHBondContact OD2-NE2 2.72Å; D60-R83 PolarHBondContact O-NH1 2.9Å
61	D	84.7	Confident	85.7	Confident	94 Å²	94	73.6 Å²	73.6	50%	0.503	38%	0.381	S	S	.	.	S	Bend	trans	-74.6	-5.9	-178.5	76.6	-20.2	0	0	0	114.2	S80 R83	D61-S80 VanDerWaalsContact O-CA 3.22Å; D61-S80 WeakPolarHBondContact O-CA 3.04Å; D61-R83 VanDerWaalsContact C-NH1 3.27Å; D61-R83 WeakPolarHBondContact O-CD 3.46Å; D61-R83 PolarHBondContact O-NE 3.48Å; D61-R83 PolarHBondContact O-NH1 3.34Å
62	S	88.1	Confident	86.1	Confident	12 Å²	12	71.8 Å²	71.8	8%	0.084	37%	0.374	C	S	.	.	S	Bend	trans	-114.4	-18	-175.7	70.2	0	0	0	0	114.6	D60 Q76 A77	D60-S62 VanDerWaalsContact CG-OG 3.31Å; D60-S62 PolarHBondContact O-N 3.46Å; D60-S62 PolarHBondContact OD1-N 3.18Å; D60-S62 PolarHBondContact OD1-OG 3.17Å; D60-S62 PolarHBondContact OD2-OG 3.19Å; D60-S62 VanDerWaalsContact OD2-OG 3.13Å; S62-Q76 WeakPolarHBondContact OG-CG 3.33Å; S62-Q76 PolarHBondContact OG-NE2 3.37Å; S62-A77 PolarHBondContact O-N 3.13Å
63	T	91	Very high	86.3	Confident	9 Å²	9	73.7 Å²	73.7	6%	0.055	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	144.1	-172.8	-66.7	0	0	0	0	112.5	W15 D57 D60 F75	W15-T63 HydrophobicContact CH2-CG2 4.31Å; D57-T63 HydrophobicContact CB-CG2 4.25Å; D57-T63 PolarHBondContact N-O 3.17Å; D60-T63 VanDerWaalsContact OD2-CB 3.25Å; D60-T63 WeakPolarHBondContact OD2-CB 3.33Å; D60-T63 PolarHBondContact OD2-OG1 3.49Å; T63-F75 WeakPolarHBondContact CA-O 3.37Å; T63-F75 WeakPolarHBondContact CG2-O 3.38Å
64	F	94.1	Very high	86.5	Confident	0 Å²	0	70.8 Å²	70.8	0%	0	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	164.9	173.5	67	-79.8	0	0	0	110.7	L5 G55 I66 F75 R83 W86 L87 L90	L5-F64 HydrophobicContact CD1-CE1 4.44Å; L5-F64 HydrophobicContact CD1-CZ 3.86Å; L5-F64 HydrophobicContact CD2-CE1 4.12Å; L5-F64 HydrophobicContact CD2-CZ 4.35Å; G55-F64 CarbonylContact O-C 3.58Å; G55-F64 VanDerWaalsContact O-CA 3.32Å; G55-F64 WeakPolarHBondContact O-CA 3.47Å; G55-F64 WeakPolarHBondContact O-CB 3.43Å; F64-I66 HydrophobicContact CD2-CG1 4.41Å; F64-I66 HydrophobicContact CE2-CD1 4.31Å; F64-I66 HydrophobicContact CE2-CG1 4.3Å; F64-F75 HydrophobicContact CD1-CB 4.04Å; F64-F75 HydrophobicContact CD2-CB 4.21Å; F64-F75 HydrophobicContact CD2-CD2 4.16Å; F64-F75 HydrophobicContact CE1-CB 3.64Å; F64-F75 HydrophobicContact CE2-CB 3.81Å; F64-F75 AromaticContact CE2-CD2 3.81Å; F64-F75 HydrophobicContact CE2-CD2 3.81Å; F64-F75 HydrophobicContact CE2-CG 4.02Å; F64-F75 HydrophobicContact CG-CB 4.33Å; F64-F75 HydrophobicContact CZ-CB 3.52Å; F64-F75 HydrophobicContact CZ-CD2 4.33Å; F64-F75 HydrophobicContact CZ-CG 4.06Å; F64-F75 PolarHBondContact N-O 3.47Å; F64-F75 PolarHBondContact O-N 3.3Å; F64-R83 HydrophobicContact CD1-CG 3.87Å; F64-W86 HydrophobicContact CZ-CB 4.21Å; F64-L87 HydrophobicContact CB-CD2 4.04Å; F64-L87 HydrophobicContact CD2-CD2 3.95Å; F64-L87 HydrophobicContact CG-CD2 4.07Å; F64-L90 HydrophobicContact CE2-CD1 3.8Å; F64-L90 HydrophobicContact CZ-CD1 4.43Å
65	T	93.7	Very high	86.9	Confident	31 Å²	31	68.8 Å²	68.8	19%	0.19	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	149.8	-178.7	61.9	0	0	0	0	111.2	V54 G55 T72 F73 H74	V54-T65 CarbonylContact C-O 3.55Å; V54-T65 VanDerWaalsContact CA-O 3.31Å; V54-T65 WeakPolarHBondContact CA-O 3.47Å; G55-T65 WeakPolarHBondContact CA-OG1 3.32Å; G55-T65 PolarHBondContact N-O 2.78Å; G55-T65 PolarHBondContact O-N 3.15Å; G55-T65 PolarHBondContact O-OG1 3.34Å; T65-T72 HydrophobicContact CG2-CG2 4.23Å; T65-F73 CarbonylContact C-O 3.5Å; T65-F73 WeakPolarHBondContact CA-O 3.26Å; T65-H74 HydrophobicContact CG2-CB 4.38Å; T65-H74 VanDerWaalsContact CG2-ND1 3.3Å; T65-H74 WeakPolarHBondContact CG2-ND1 3.07Å
66	I	94	Very high	87.3	Confident	0 Å²	0	70.4 Å²	70.4	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	123.8	169.2	-53.2	174.5	0	0	0	107.7	L29 V47 L49 A52 Q53 F64 V68 F73 F75 L90	L29-I66 HydrophobicContact CD2-CD1 3.75Å; V47-I66 HydrophobicContact CG1-CG2 4.42Å; L49-I66 HydrophobicContact CD2-CD1 4.44Å; L49-I66 HydrophobicContact CD2-CG2 4.33Å; A52-I66 HydrophobicContact CB-CG2 3.93Å; Q53-I66 CarbonylContact O-C 3.52Å; Q53-I66 WeakPolarHBondContact O-CA 3.37Å; F64-I66 HydrophobicContact CD2-CG1 4.41Å; F64-I66 HydrophobicContact CE2-CD1 4.31Å; F64-I66 HydrophobicContact CE2-CG1 4.3Å; I66-V68 HydrophobicContact CG2-CG2 4.04Å; I66-F73 PolarHBondContact N-O 2.6Å; I66-F73 WeakPolarHBondContact O-CD2 3.3Å; I66-F73 PolarHBondContact O-N 2.91Å; I66-F75 HydrophobicContact CB-CE2 3.78Å; I66-F75 HydrophobicContact CD1-CD2 4.11Å; I66-F75 HydrophobicContact CD1-CE2 3.54Å; I66-F75 HydrophobicContact CD1-CZ 4.12Å; I66-F75 HydrophobicContact CG1-CD2 3.95Å; I66-F75 HydrophobicContact CG1-CE2 3.53Å; I66-L90 HydrophobicContact CD1-CD1 3.71Å; I66-L90 HydrophobicContact CD1-CD2 4.2Å; I66-L90 HydrophobicContact CG1-CD1 4.48Å
67	T	89.7	Confident	87.6	Confident	35 Å²	35	66.6 Å²	66.6	22%	0.215	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	121.9	177.6	-58.2	0	0	0	0	110.2	A52 Q53 K71 T72	A52-T67 WeakPolarHBondContact CA-O 3.45Å; Q53-T67 PolarHBondContact N-O 3Å; Q53-T67 PolarHBondContact O-N 2.87Å; T67-K71 VanDerWaalsContact CA-O 3.31Å; T67-K71 WeakPolarHBondContact CA-O 3.4Å; T67-T72 WeakPolarHBondContact OG1-CG2 3.38Å; T67-T72 PolarHBondContact OG1-OG1 3.42Å
68	V	86.7	Confident	88.2	Confident	14 Å²	14	71.8 Å²	71.8	9%	0.085	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	134.8	178.9	-179.1	0	0	0	0	108.7	V47 K48 A52 I66 H70 K71	V47-V68 HydrophobicContact CG1-CB 4.28Å; V47-V68 HydrophobicContact CG1-CG2 3.73Å; K48-V68 WeakPolarHBondContact O-CG1 3.4Å; K48-V68 WeakPolarHBondContact O-CG2 3.05Å; A52-V68 HydrophobicContact CB-CG2 3.43Å; A52-V68 VanDerWaalsContact CB-CG2 3.43Å; I66-V68 HydrophobicContact CG2-CG2 4.04Å; V68-H70 VanDerWaalsContact C-N 3.28Å; V68-H70 PolarHBondContact O-N 3.13Å; V68-K71 PolarHBondContact N-O 3.02Å; V68-K71 WeakPolarHBondContact O-CA 3.44Å; V68-K71 WeakPolarHBondContact O-CB 3.23Å; V68-K71 PolarHBondContact O-N 2.78Å
69	D	81	Confident	88.8	Confident	137 Å²	137	67.5 Å²	67.5	73%	0.733	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	49	46.8	177.6	-57.6	-27.7	0	0	0	113.2	K71	D69-K71 PolarHBondContact O-N 2.8Å; D69-K71 VanDerWaalsContact O-N 3.13Å
70	H	82.6	Confident	89.4	Confident	196 Å²	196	60.4 Å²	60.4	91%	0.907	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.4	15.5	-177.1	-46.7	-76.2	0	0	0	115.1	V68	V68-H70 VanDerWaalsContact C-N 3.28Å; V68-H70 PolarHBondContact O-N 3.13Å
71	K	86.9	Confident	89.9	Confident	144 Å²	144	63.4 Å²	63.4	63%	0.626	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112	121.5	173.9	-65.2	-179.8	-178.1	175.3	0	110.2	T67 V68 D69 F73	T67-K71 VanDerWaalsContact CA-O 3.31Å; T67-K71 WeakPolarHBondContact CA-O 3.4Å; V68-K71 PolarHBondContact N-O 3.02Å; V68-K71 WeakPolarHBondContact O-CA 3.44Å; V68-K71 WeakPolarHBondContact O-CB 3.23Å; V68-K71 PolarHBondContact O-N 2.78Å; D69-K71 PolarHBondContact O-N 2.8Å; D69-K71 VanDerWaalsContact O-N 3.13Å; K71-F73 HydrophobicContact CB-CE2 4.03Å; K71-F73 HydrophobicContact CB-CZ 4.26Å
72	T	91.4	Very high	90.2	Very high	68 Å²	68	60 Å²	60	42%	0.417	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	129	174.3	-55.6	0	0	0	0	110.2	T65 T67	T65-T72 HydrophobicContact CG2-CG2 4.23Å; T67-T72 WeakPolarHBondContact OG1-CG2 3.38Å; T67-T72 PolarHBondContact OG1-OG1 3.42Å
73	F	93	Very high	90.4	Very high	43 Å²	43	61.1 Å²	61.1	19%	0.189	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	128.1	174.4	-59.7	-87	0	0	0	108.6	V47 T65 I66 K71 F75	V47-F73 HydrophobicContact CG1-CD2 4.44Å; V47-F73 HydrophobicContact CG1-CE2 4.29Å; V47-F73 HydrophobicContact CG2-CD2 4.07Å; V47-F73 HydrophobicContact CG2-CE1 4.44Å; V47-F73 HydrophobicContact CG2-CE2 3.93Å; V47-F73 HydrophobicContact CG2-CG 4.39Å; V47-F73 HydrophobicContact CG2-CZ 4.11Å; T65-F73 CarbonylContact C-O 3.5Å; T65-F73 WeakPolarHBondContact CA-O 3.26Å; I66-F73 PolarHBondContact N-O 2.6Å; I66-F73 WeakPolarHBondContact O-CD2 3.3Å; I66-F73 PolarHBondContact O-N 2.91Å; K71-F73 HydrophobicContact CB-CE2 4.03Å; K71-F73 HydrophobicContact CB-CZ 4.26Å; F73-F75 HydrophobicContact CB-CD2 4.43Å; F73-F75 HydrophobicContact CB-CE1 4.39Å; F73-F75 HydrophobicContact CB-CE2 3.42Å; F73-F75 VanDerWaalsContact CB-CE2 3.42Å; F73-F75 HydrophobicContact CB-CZ 3.41Å; F73-F75 VanDerWaalsContact CB-CZ 3.41Å; F73-F75 HydrophobicContact CG-CZ 4.29Å; F73-F75 WeakPolarHBondContact O-CD2 3.34Å; F73-F75 WeakPolarHBondContact O-CE2 3.46Å
74	H	91.9	Very high	90.3	Very high	76 Å²	76	64.7 Å²	64.7	35%	0.352	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	132.9	178.5	-53	-101.3	0	0	0	110.2	K7 W8 W15 T65	K7-H74 WeakPolarHBondContact CA-O 3.46Å; W8-H74 HydrophobicContact CB-CB 3.87Å; W8-H74 PolarHBondContact N-O 3.47Å; W15-H74 HydrophobicContact CH2-CB 3.72Å; W15-H74 HydrophobicContact CZ2-CB 4.48Å; W15-H74 HydrophobicContact CZ3-CB 4.29Å; W15-H74 WeakPolarHBondContact CZ3-O 3.47Å; T65-H74 HydrophobicContact CG2-CB 4.38Å; T65-H74 VanDerWaalsContact CG2-ND1 3.3Å; T65-H74 WeakPolarHBondContact CG2-ND1 3.07Å
75	F	96	Very high	90.2	Very high	0 Å²	0	71.2 Å²	71.2	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	149.1	-177.1	-54.5	-81.3	0	0	0	110.7	S6 K7 F20 L29 T63 F64 I66 F73	S6-F75 CarbonylContact O-C 3.24Å; S6-F75 VanDerWaalsContact O-CA 3.24Å; S6-F75 WeakPolarHBondContact O-CA 3.49Å; K7-F75 HydrophobicContact CB-CD1 4.27Å; K7-F75 HydrophobicContact CB-CE1 4.43Å; K7-F75 HydrophobicContact CD-CE1 4.23Å; K7-F75 HydrophobicContact CG-CD1 4.16Å; K7-F75 HydrophobicContact CG-CE1 3.95Å; F20-F75 HydrophobicContact CE1-CD1 4.07Å; F20-F75 AromaticContact CE1-CE1 3.47Å; F20-F75 HydrophobicContact CE1-CE1 3.47Å; F20-F75 VanDerWaalsContact CE1-CE1 3.47Å; F20-F75 HydrophobicContact CE1-CZ 4.39Å; F20-F75 HydrophobicContact CE2-CD1 4.35Å; F20-F75 HydrophobicContact CE2-CE1 4.46Å; F20-F75 AromaticContact CZ-CD1 3.68Å; F20-F75 HydrophobicContact CZ-CD1 3.68Å; F20-F75 AromaticContact CZ-CE1 3.41Å; F20-F75 HydrophobicContact CZ-CE1 3.41Å; F20-F75 VanDerWaalsContact CZ-CE1 3.41Å; L29-F75 HydrophobicContact CD2-CZ 4.49Å; T63-F75 WeakPolarHBondContact CA-O 3.37Å; T63-F75 WeakPolarHBondContact CG2-O 3.38Å; F64-F75 HydrophobicContact CD1-CB 4.04Å; F64-F75 HydrophobicContact CD2-CB 4.21Å; F64-F75 HydrophobicContact CD2-CD2 4.16Å; F64-F75 HydrophobicContact CE1-CB 3.64Å; F64-F75 HydrophobicContact CE2-CB 3.81Å; F64-F75 AromaticContact CE2-CD2 3.81Å; F64-F75 HydrophobicContact CE2-CD2 3.81Å; F64-F75 HydrophobicContact CE2-CG 4.02Å; F64-F75 HydrophobicContact CG-CB 4.33Å; F64-F75 HydrophobicContact CZ-CB 3.52Å; F64-F75 HydrophobicContact CZ-CD2 4.33Å; F64-F75 HydrophobicContact CZ-CG 4.06Å; F64-F75 PolarHBondContact N-O 3.47Å; F64-F75 PolarHBondContact O-N 3.3Å; I66-F75 HydrophobicContact CB-CE2 3.78Å; I66-F75 HydrophobicContact CD1-CD2 4.11Å; I66-F75 HydrophobicContact CD1-CE2 3.54Å; I66-F75 HydrophobicContact CD1-CZ 4.12Å; I66-F75 HydrophobicContact CG1-CD2 3.95Å; I66-F75 HydrophobicContact CG1-CE2 3.53Å; F73-F75 HydrophobicContact CB-CD2 4.43Å; F73-F75 HydrophobicContact CB-CE1 4.39Å; F73-F75 HydrophobicContact CB-CE2 3.42Å; F73-F75 VanDerWaalsContact CB-CE2 3.42Å; F73-F75 HydrophobicContact CB-CZ 3.41Å; F73-F75 VanDerWaalsContact CB-CZ 3.41Å; F73-F75 HydrophobicContact CG-CZ 4.29Å; F73-F75 WeakPolarHBondContact O-CD2 3.34Å; F73-F75 WeakPolarHBondContact O-CE2 3.46Å
76	Q	93.7	Very high	90.2	Very high	59 Å²	59	69.8 Å²	69.8	28%	0.276	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	124.5	175.8	-176.8	-178.6	56.7	0	0	109.4	S6 W15 D60 S62	S6-Q76 PolarHBondContact N-O 3.18Å; S6-Q76 PolarHBondContact O-N 3.34Å; W15-Q76 HydrophobicContact CE3-CB 4.26Å; W15-Q76 HydrophobicContact CH2-CB 4.17Å; W15-Q76 HydrophobicContact CZ3-CB 3.9Å; D60-Q76 PolarHBondContact OD2-NE2 2.72Å; S62-Q76 WeakPolarHBondContact OG-CG 3.33Å; S62-Q76 PolarHBondContact OG-NE2 3.37Å
77	A	94.4	Very high	90.2	Very high	9 Å²	9	70.1 Å²	70.1	7%	0.074	34%	0.338	C	S	.	.			trans	-86.4	174.8	175.2	0	0	0	0	0	111.4	L5 S62 E82 R83	L5-A77 HydrophobicContact CD2-CB 3.86Å; S62-A77 PolarHBondContact O-N 3.13Å; A77-E82 HydrophobicContact CB-CB 4.21Å; A77-E82 HydrophobicContact CB-CG 4.17Å; A77-R83 HydrophobicContact CB-CB 3.88Å
78	R	90.1	Very high	90.2	Very high	178 Å²	178	72.7 Å²	72.7	67%	0.672	35%	0.35	S	S	*	.	S	Bend	trans	-72.9	-30.9	177.8	-68.1	176.2	-86.6	-179	-6.3	113.4	E82	R78-E82 WeakPolarHBondContact CB-OE2 3.37Å; R78-E82 WeakPolarHBondContact CG-OE2 3.22Å; R78-E82 IonicContact CZ-OE1 3.9Å; R78-E82 VanDerWaalsContact CZ-OE1 3.3Å; R78-E82 IonicContact CZ-OE2 3.77Å; R78-E82 PolarHBondContact N-OE2 2.97Å; R78-E82 VanDerWaalsContact NE-CD 3.33Å; R78-E82 IonicContact NE-OE1 3.3Å; R78-E82 PolarHBondContact NE-OE1 3.42Å; R78-E82 VanDerWaalsContact NE-OE1 3.11Å; R78-E82 IonicContact NE-OE2 2.83Å; R78-E82 PolarHBondContact NE-OE2 3.39Å; R78-E82 IonicContact NH2-OE1 3.11Å; R78-E82 PolarHBondContact NH2-OE1 3.3Å; R78-E82 IonicContact NH2-OE2 3.65Å
79	N	87.6	Confident	90.5	Very high	74 Å²	74	72.6 Å²	72.6	40%	0.396	35%	0.351	S	S	.	.	S	Bend	trans	-161.3	174.6	-179.4	58	23.3	0	0	0	110.1	D81 E82 R83	N79-D81 VanDerWaalsContact C-N 3.34Å; N79-D81 PolarHBondContact O-N 3.33Å; N79-D81 PolarHBondContact OD1-N 3.04Å; N79-E82 PolarHBondContact O-N 3.23Å; N79-E82 VanDerWaalsContact OD1-CB 3.31Å; N79-E82 WeakPolarHBondContact OD1-CB 3.37Å; N79-E82 PolarHBondContact OD1-N 2.81Å; N79-R83 PolarHBondContact O-N 3.2Å
80	S	87.8	Confident	91.1	Very high	44 Å²	44	66.2 Å²	66.2	31%	0.308	32%	0.317	S	S	.	.	H	α-helix	trans	-58.2	-39.6	178.6	56.6	0	0	0	0	114	D61 R83 Q84	D61-S80 VanDerWaalsContact O-CA 3.22Å; D61-S80 WeakPolarHBondContact O-CA 3.04Å; S80-R83 WeakPolarHBondContact O-CB 3.32Å; S80-R83 PolarHBondContact O-N 3.05Å; S80-Q84 PolarHBondContact O-N 2.65Å
81	D	89.1	Confident	91.4	Very high	109 Å²	109	61 Å²	61	58%	0.583	29%	0.293	S	S	*	.	H	α-helix	trans	-64	-43.2	177.8	-67.6	-32.2	0	0	0	112.4	N79 K85	N79-D81 VanDerWaalsContact C-N 3.34Å; N79-D81 PolarHBondContact O-N 3.33Å; N79-D81 PolarHBondContact OD1-N 3.04Å; D81-K85 WeakPolarHBondContact O-CG 3.45Å; D81-K85 PolarHBondContact O-N 2.6Å; D81-K85 VanDerWaalsContact O-N 3.14Å
82	E	91	Very high	91.3	Very high	22 Å²	22	59.7 Å²	59.7	10%	0.103	29%	0.289	C	S	.	.	H	α-helix	trans	-69.7	-39.2	176.7	-176.5	173.5	-132.5	0	0	111.2	A77 R78 N79 Q84 K85 W86	A77-E82 HydrophobicContact CB-CB 4.21Å; A77-E82 HydrophobicContact CB-CG 4.17Å; R78-E82 WeakPolarHBondContact CB-OE2 3.37Å; R78-E82 WeakPolarHBondContact CG-OE2 3.22Å; R78-E82 IonicContact CZ-OE1 3.9Å; R78-E82 VanDerWaalsContact CZ-OE1 3.3Å; R78-E82 IonicContact CZ-OE2 3.77Å; R78-E82 PolarHBondContact N-OE2 2.97Å; R78-E82 VanDerWaalsContact NE-CD 3.33Å; R78-E82 IonicContact NE-OE1 3.3Å; R78-E82 PolarHBondContact NE-OE1 3.42Å; R78-E82 VanDerWaalsContact NE-OE1 3.11Å; R78-E82 IonicContact NE-OE2 2.83Å; R78-E82 PolarHBondContact NE-OE2 3.39Å; R78-E82 IonicContact NH2-OE1 3.11Å; R78-E82 PolarHBondContact NH2-OE1 3.3Å; R78-E82 IonicContact NH2-OE2 3.65Å; N79-E82 PolarHBondContact O-N 3.23Å; N79-E82 VanDerWaalsContact OD1-CB 3.31Å; N79-E82 WeakPolarHBondContact OD1-CB 3.37Å; N79-E82 PolarHBondContact OD1-N 2.81Å; E82-Q84 VanDerWaalsContact C-N 3.34Å; E82-Q84 PolarHBondContact O-N 3.31Å; E82-K85 PolarHBondContact O-N 2.71Å; E82-W86 VanDerWaalsContact O-CD1 3.29Å; E82-W86 PolarHBondContact O-N 2.91Å; E82-W86 VanDerWaalsContact O-N 3.1Å
83	R	91.9	Very high	91.1	Very high	36 Å²	36	56.4 Å²	56.4	14%	0.136	27%	0.269	C	S	.	.	H	α-helix	trans	-54.6	-52	172.6	-176.5	-173.3	69.6	177.1	-2.5	110.1	D60 D61 F64 A77 N79 S80 K85 W86 L87	D60-R83 PolarHBondContact O-NH1 2.9Å; D61-R83 VanDerWaalsContact C-NH1 3.27Å; D61-R83 WeakPolarHBondContact O-CD 3.46Å; D61-R83 PolarHBondContact O-NE 3.48Å; D61-R83 PolarHBondContact O-NH1 3.34Å; F64-R83 HydrophobicContact CD1-CG 3.87Å; A77-R83 HydrophobicContact CB-CB 3.88Å; N79-R83 PolarHBondContact O-N 3.2Å; S80-R83 WeakPolarHBondContact O-CB 3.32Å; S80-R83 PolarHBondContact O-N 3.05Å; R83-K85 PolarHBondContact O-N 3.48Å; R83-W86 PolarHBondContact O-N 2.72Å; R83-W86 VanDerWaalsContact O-N 3.15Å; R83-L87 HydrophobicContact CG-CD1 3.97Å; R83-L87 HydrophobicContact CG-CG 4.35Å; R83-L87 VanDerWaalsContact O-CG 3.32Å; R83-L87 WeakPolarHBondContact O-CG 3.33Å; R83-L87 PolarHBondContact O-N 3.49Å
84	Q	89.8	Confident	90.8	Very high	83 Å²	83	56.8 Å²	56.8	39%	0.388	27%	0.269	S	S	.	.	H	α-helix	trans	-60.9	-43.2	-177.9	-167.2	60.4	47.9	0	0	112.1	S80 E82 W86 L87 D88	S80-Q84 PolarHBondContact O-N 2.65Å; E82-Q84 VanDerWaalsContact C-N 3.34Å; E82-Q84 PolarHBondContact O-N 3.31Å; Q84-W86 VanDerWaalsContact C-N 3.3Å; Q84-W86 PolarHBondContact O-N 2.88Å; Q84-L87 WeakPolarHBondContact O-CB 3.31Å; Q84-L87 PolarHBondContact O-N 2.65Å; Q84-L87 VanDerWaalsContact O-N 3.14Å; Q84-D88 PolarHBondContact NE2-OD1 2.92Å; Q84-D88 VanDerWaalsContact O-CG 3.23Å; Q84-D88 PolarHBondContact O-N 3.15Å
85	K	92	Very high	90.3	Very high	138 Å²	138	55.9 Å²	55.9	60%	0.6	27%	0.267	S	S	*	.	H	α-helix	trans	-58.2	-40.4	175.4	-74.8	174.2	-177.1	172.6	0	113	M1 D81 E82 R83 A89	M1-K85 HydrophobicContact CE-CB 4.05Å; D81-K85 WeakPolarHBondContact O-CG 3.45Å; D81-K85 PolarHBondContact O-N 2.6Å; D81-K85 VanDerWaalsContact O-N 3.14Å; E82-K85 PolarHBondContact O-N 2.71Å; R83-K85 PolarHBondContact O-N 3.48Å; K85-A89 PolarHBondContact O-N 2.93Å
86	W	94.7	Very high	89.5	Confident	1 Å²	1	59.1 Å²	59.1	0%	0.004	28%	0.284	C	S	.	.	H	α-helix	trans	-68.2	-43.5	175.4	-84.4	106.1	0	0	0	111.6	M1 L5 F20 L22 L29 F64 E82 R83 Q84 A89 L90	M1-W86 HydrophobicContact CE-CD2 3.65Å; M1-W86 HydrophobicContact CE-CE3 4.14Å; M1-W86 HydrophobicContact CE-CG 3.81Å; M1-W86 HydrophobicContact CE-CZ2 4.36Å; M1-W86 HydrophobicContact CG-CH2 4.38Å; M1-W86 HydrophobicContact CG-CZ3 4.35Å; M1-W86 HydrophobicContact SD-CD2 4.08Å; M1-W86 HydrophobicContact SD-CE3 3.94Å; M1-W86 HydrophobicContact SD-CZ3 4.26Å; L5-W86 HydrophobicContact CD1-CD2 3.88Å; L5-W86 HydrophobicContact CD1-CE3 4.32Å; L5-W86 HydrophobicContact CD1-CG 4.19Å; L5-W86 HydrophobicContact CD1-CZ2 4.18Å; L5-W86 HydrophobicContact CD2-CG 4.26Å; L5-W86 HydrophobicContact CG-CD2 4.43Å; L5-W86 HydrophobicContact CG-CZ2 4.29Å; F20-W86 HydrophobicContact CB-CH2 3.57Å; F20-W86 HydrophobicContact CB-CZ2 4.06Å; F20-W86 HydrophobicContact CB-CZ3 4.28Å; L22-W86 HydrophobicContact CB-CZ3 4.07Å; L29-W86 HydrophobicContact CD1-CH2 4.45Å; L29-W86 HydrophobicContact CD1-CZ3 3.77Å; F64-W86 HydrophobicContact CZ-CB 4.21Å; E82-W86 VanDerWaalsContact O-CD1 3.29Å; E82-W86 PolarHBondContact O-N 2.91Å; E82-W86 VanDerWaalsContact O-N 3.1Å; R83-W86 PolarHBondContact O-N 2.72Å; R83-W86 VanDerWaalsContact O-N 3.15Å; Q84-W86 VanDerWaalsContact C-N 3.3Å; Q84-W86 PolarHBondContact O-N 2.88Å; W86-A89 PolarHBondContact O-N 2.95Å; W86-L90 VanDerWaalsContact O-CB 3.3Å; W86-L90 WeakPolarHBondContact O-CB 3.32Å; W86-L90 WeakPolarHBondContact O-CD1 2.91Å; W86-L90 WeakPolarHBondContact O-CG 3.4Å; W86-L90 PolarHBondContact O-N 2.56Å
87	L	93	Very high	88.8	Confident	7 Å²	7	58.4 Å²	58.4	4%	0.037	28%	0.28	C	S	.	.	H	α-helix	trans	-58.4	-48.8	178.3	-68	173.1	0	0	0	111.5	V54 I56 F64 R83 Q84 A89 L90 Q91	V54-L87 HydrophobicContact CG1-CD2 3.29Å; I56-L87 HydrophobicContact CD1-CD1 3.67Å; I56-L87 HydrophobicContact CG1-CD1 3.87Å; I56-L87 HydrophobicContact CG1-CD2 4.37Å; F64-L87 HydrophobicContact CB-CD2 4.04Å; F64-L87 HydrophobicContact CD2-CD2 3.95Å; F64-L87 HydrophobicContact CG-CD2 4.07Å; R83-L87 HydrophobicContact CG-CD1 3.97Å; R83-L87 HydrophobicContact CG-CG 4.35Å; R83-L87 VanDerWaalsContact O-CG 3.32Å; R83-L87 WeakPolarHBondContact O-CG 3.33Å; R83-L87 PolarHBondContact O-N 3.49Å; Q84-L87 WeakPolarHBondContact O-CB 3.31Å; Q84-L87 PolarHBondContact O-N 2.65Å; Q84-L87 VanDerWaalsContact O-N 3.14Å; L87-A89 PolarHBondContact O-N 2.85Å; L87-L90 PolarHBondContact O-N 3.1Å; L87-Q91 VanDerWaalsContact O-CB 3.23Å; L87-Q91 WeakPolarHBondContact O-CB 3.46Å; L87-Q91 PolarHBondContact O-N 3.1Å
88	D	90.9	Very high	87.8	Confident	89 Å²	89	60 Å²	60	48%	0.476	29%	0.29	S	S	.	.	H	α-helix	trans	-59	-47.7	-179.9	-63	-18.1	0	0	0	111.3	Q84 Q91 E92	Q84-D88 PolarHBondContact NE2-OD1 2.92Å; Q84-D88 VanDerWaalsContact O-CG 3.23Å; Q84-D88 PolarHBondContact O-N 3.15Å; D88-Q91 PolarHBondContact O-N 3.41Å; D88-E92 PolarHBondContact O-N 3.28Å
89	A	92.3	Very high	86.5	Confident	12 Å²	12	58.2 Å²	58.2	10%	0.099	29%	0.289	C	S	.	.	H	α-helix	trans	-68.2	-38.2	-179.5	0	0	0	0	0	112.9	M1 L22 K85 W86 L87 Q91 A93	M1-A89 HydrophobicContact SD-CB 3.51Å; M1-A89 VanDerWaalsContact SD-CB 3.51Å; L22-A89 HydrophobicContact CD2-CB 3.74Å; L22-A89 WeakPolarHBondContact CD2-O 3.09Å; K85-A89 PolarHBondContact O-N 2.93Å; W86-A89 PolarHBondContact O-N 2.95Å; L87-A89 PolarHBondContact O-N 2.85Å; A89-Q91 VanDerWaalsContact C-N 3.34Å; A89-A93 WeakPolarHBondContact O-CB 3.06Å; A89-A93 PolarHBondContact O-N 2.94Å
90	L	93.7	Very high	84.9	Confident	2 Å²	2	58.6 Å²	58.6	1%	0.01	29%	0.291	C	S	.	.	H	α-helix	trans	-66.8	-38.3	176.1	-71.8	168.1	0	0	0	111.4	L22 L29 L49 F64 I66 W86 L87 R94	L22-L90 HydrophobicContact CD1-CD2 4.13Å; L22-L90 HydrophobicContact CD2-CD2 4.14Å; L22-L90 HydrophobicContact CD2-CG 4.47Å; L29-L90 HydrophobicContact CB-CD2 4.38Å; L29-L90 HydrophobicContact CD1-CD2 4.2Å; L29-L90 HydrophobicContact CD2-CD2 3.94Å; L29-L90 HydrophobicContact CG-CD2 4.39Å; L49-L90 HydrophobicContact CD1-CD2 3.61Å; L49-L90 HydrophobicContact CD2-CD2 4.01Å; L49-L90 HydrophobicContact CG-CD2 4.48Å; F64-L90 HydrophobicContact CE2-CD1 3.8Å; F64-L90 HydrophobicContact CZ-CD1 4.43Å; I66-L90 HydrophobicContact CD1-CD1 3.71Å; I66-L90 HydrophobicContact CD1-CD2 4.2Å; I66-L90 HydrophobicContact CG1-CD1 4.48Å; W86-L90 VanDerWaalsContact O-CB 3.3Å; W86-L90 WeakPolarHBondContact O-CB 3.32Å; W86-L90 WeakPolarHBondContact O-CD1 2.91Å; W86-L90 WeakPolarHBondContact O-CG 3.4Å; W86-L90 PolarHBondContact O-N 2.56Å; L87-L90 PolarHBondContact O-N 3.1Å; L90-R94 WeakPolarHBondContact O-CB 3.42Å; L90-R94 PolarHBondContact O-N 2.78Å
91	Q	88.1	Confident	83.2	Confident	86 Å²	86	61.4 Å²	61.4	40%	0.402	30%	0.295	S	S	.	.	H	α-helix	trans	-67.8	-45	177.8	-175.8	142.2	8.4	0	0	111.5	L87 D88 A89 A93 R94 D95	L87-Q91 VanDerWaalsContact O-CB 3.23Å; L87-Q91 WeakPolarHBondContact O-CB 3.46Å; L87-Q91 PolarHBondContact O-N 3.1Å; D88-Q91 PolarHBondContact O-N 3.41Å; A89-Q91 VanDerWaalsContact C-N 3.34Å; Q91-A93 PolarHBondContact O-N 3.28Å; Q91-R94 PolarHBondContact O-N 3.39Å; Q91-D95 WeakPolarHBondContact O-CB 3.46Å; Q91-D95 PolarHBondContact O-N 3.35Å
92	E	85.2	Confident	81.5	Confident	117 Å²	117	59.3 Å²	59.3	55%	0.547	29%	0.293	S	S	.	.	H	α-helix	trans	-57	-48.8	172.6	-175.8	-174.1	177.6	0	0	111.5	D88 R94 D95 L96	D88-E92 PolarHBondContact O-N 3.28Å; E92-R94 PolarHBondContact O-N 2.86Å; E92-D95 PolarHBondContact O-N 2.75Å; E92-L96 VanDerWaalsContact O-CB 3.31Å; E92-L96 WeakPolarHBondContact O-CB 3.28Å; E92-L96 PolarHBondContact O-N 3.03Å
93	A	86.8	Confident	79.6	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-63.5	-40.1	178.8	0	0	0	0	0	112.4	L22 I24 L49 A89 Q91 H97	L22-A93 HydrophobicContact CD1-CB 4.03Å; L22-A93 HydrophobicContact CD2-CB 4.4Å; I24-A93 HydrophobicContact CG1-CB 4.44Å; L49-A93 HydrophobicContact CD1-CB 3.93Å; A89-A93 WeakPolarHBondContact O-CB 3.06Å; A89-A93 PolarHBondContact O-N 2.94Å; Q91-A93 PolarHBondContact O-N 3.28Å; A93-H97 WeakPolarHBondContact O-CB 3.15Å; A93-H97 PolarHBondContact O-CD2 3.06Å; A93-H97 VanDerWaalsContact O-CD2 3.22Å; A93-H97 PolarHBondContact O-N 3.36Å
94	R	86.5	Confident	77.7	Confident	51 Å²	51	66 Å²	66	19%	0.192	33%	0.331	C	S	.	.	H	α-helix	trans	-61.9	-50.6	174.7	176.2	-161	71.6	-163.4	-0.6	110.9	L49 A52 L90 Q91 E92 H97 T98	L49-R94 WeakPolarHBondContact O-CG 3.33Å; A52-R94 WeakPolarHBondContact O-CD 3.46Å; L90-R94 WeakPolarHBondContact O-CB 3.42Å; L90-R94 PolarHBondContact O-N 2.78Å; Q91-R94 PolarHBondContact O-N 3.39Å; E92-R94 PolarHBondContact O-N 2.86Å; R94-H97 PolarHBondContact O-N 3.3Å; R94-T98 VanDerWaalsContact O-CB 3.24Å; R94-T98 WeakPolarHBondContact O-CB 3.22Å; R94-T98 PolarHBondContact O-N 2.83Å; R94-T98 PolarHBondContact O-OG1 2.89Å
95	D	81.9	Confident	75.7	Confident	56 Å²	56	65.2 Å²	65.2	30%	0.299	33%	0.33	S	S	.	.	H	α-helix	trans	-66.4	-43.2	-172.7	-68.4	-14.4	0	0	0	110.6	Q91 E92 H97 T98 Q99	Q91-D95 WeakPolarHBondContact O-CB 3.46Å; Q91-D95 PolarHBondContact O-N 3.35Å; E92-D95 PolarHBondContact O-N 2.75Å; D95-H97 VanDerWaalsContact C-N 3.34Å; D95-H97 PolarHBondContact O-N 2.84Å; D95-T98 PolarHBondContact O-N 3.19Å; D95-Q99 VanDerWaalsContact O-CB 3.29Å; D95-Q99 WeakPolarHBondContact O-CB 3.36Å; D95-Q99 VanDerWaalsContact O-CG 3.29Å; D95-Q99 WeakPolarHBondContact O-CG 3.31Å; D95-Q99 PolarHBondContact O-N 3.4Å
96	L	79.7	Confident	73.7	Confident	69 Å²	69	64.5 Å²	64.5	36%	0.361	33%	0.329	S	S	.	.	H	α-helix	trans	-56.3	-46.5	174.5	-176.3	66.4	0	0	0	112.1	I24 E92 N100	I24-L96 HydrophobicContact CG2-CD2 4.04Å; E92-L96 VanDerWaalsContact O-CB 3.31Å; E92-L96 WeakPolarHBondContact O-CB 3.28Å; E92-L96 PolarHBondContact O-N 3.03Å; L96-N100 WeakPolarHBondContact CD1-ND2 3.4Å; L96-N100 WeakPolarHBondContact O-CB 3.06Å; L96-N100 PolarHBondContact O-N 2.81Å; L96-N100 PolarHBondContact O-ND2 3.44Å
97	H	77.8	Confident	71.4	Confident	43 Å²	43	67.7 Å²	67.7	20%	0.199	35%	0.348	C	S	.	.	H	α-helix	trans	-81	-27.1	-177	-80.5	-87.3	0	0	0	113.7	I24 S25 G27 A93 R94 D95 Y101	I24-H97 PolarHBondContact O-CD2 2.9Å; I24-H97 PolarHBondContact O-NE2 3.13Å; S25-H97 PolarHBondContact O-CE1 3.14Å; S25-H97 PolarHBondContact O-NE2 3.44Å; S25-H97 VanDerWaalsContact O-NE2 3.08Å; G27-H97 WeakPolarHBondContact CA-CD2 3.46Å; G27-H97 WeakPolarHBondContact CA-NE2 3.24Å; G27-H97 PolarHBondContact N-CE1 3Å; G27-H97 PolarHBondContact N-NE2 2.92Å; A93-H97 WeakPolarHBondContact O-CB 3.15Å; A93-H97 PolarHBondContact O-CD2 3.06Å; A93-H97 VanDerWaalsContact O-CD2 3.22Å; A93-H97 PolarHBondContact O-N 3.36Å; R94-H97 PolarHBondContact O-N 3.3Å; D95-H97 VanDerWaalsContact C-N 3.34Å; D95-H97 PolarHBondContact O-N 2.84Å; H97-Y101 VanDerWaalsContact O-CB 3.23Å; H97-Y101 WeakPolarHBondContact O-CB 3.31Å; H97-Y101 PolarHBondContact O-N 3.48Å
98	T	74.1	Confident	69.2	Low	44 Å²	44	71 Å²	71	27%	0.27	37%	0.366	S	S	.	.	H	α-helix	trans	-73.3	-43	174.7	-55.5	0	0	0	0	110.2	N51 R94 D95 A102	N51-T98 PolarHBondContact N-OG1 3.24Å; N51-T98 WeakPolarHBondContact OD1-CG2 3.39Å; R94-T98 VanDerWaalsContact O-CB 3.24Å; R94-T98 WeakPolarHBondContact O-CB 3.22Å; R94-T98 PolarHBondContact O-N 2.83Å; R94-T98 PolarHBondContact O-OG1 2.89Å; D95-T98 PolarHBondContact O-N 3.19Å; T98-A102 PolarHBondContact O-N 3.3Å
99	Q	62	Low	67.2	Low	139 Å²	139	75.5 Å²	75.5	65%	0.65	38%	0.376	S	S	*	.	H	α-helix	trans	-71.3	-46	176.5	-68.8	176.7	5.5	0	0	112.6	D95 Y101 A102 L103	D95-Q99 VanDerWaalsContact O-CB 3.29Å; D95-Q99 WeakPolarHBondContact O-CB 3.36Å; D95-Q99 VanDerWaalsContact O-CG 3.29Å; D95-Q99 WeakPolarHBondContact O-CG 3.31Å; D95-Q99 PolarHBondContact O-N 3.4Å; Q99-Y101 PolarHBondContact O-N 2.93Å; Q99-A102 WeakPolarHBondContact O-CB 3.33Å; Q99-A102 PolarHBondContact O-N 2.8Å; Q99-A102 VanDerWaalsContact O-N 3.1Å; Q99-L103 PolarHBondContact O-N 3.02Å; Q99-L103 VanDerWaalsContact O-N 3.09Å
100	N	55.6	Low	65.1	Low	82 Å²	82	80.5 Å²	80.5	44%	0.439	40%	0.401	S	S	.	.	H	α-helix	trans	-63.5	-30.6	177.2	-83.6	-33.7	0	0	0	112.4	L96 L103 L104	L96-N100 WeakPolarHBondContact CD1-ND2 3.4Å; L96-N100 WeakPolarHBondContact O-CB 3.06Å; L96-N100 PolarHBondContact O-N 2.81Å; L96-N100 PolarHBondContact O-ND2 3.44Å; N100-L103 PolarHBondContact O-N 2.77Å; N100-L104 WeakPolarHBondContact O-CB 3.2Å; N100-L104 PolarHBondContact O-N 2.83Å
101	Y	51.5	Low	62.9	Low	103 Å²	103	86.3 Å²	86.3	40%	0.404	43%	0.431	S	S	.	.	H	α-helix	trans	-70.8	-34.1	174.4	-160.7	-88.1	0	0	0	112.2	K50 H97 Q99 L103 L104 N105	K50-Y101 HydrophobicContact CD-CD2 4.42Å; K50-Y101 HydrophobicContact CD-CG 4.43Å; H97-Y101 VanDerWaalsContact O-CB 3.23Å; H97-Y101 WeakPolarHBondContact O-CB 3.31Å; H97-Y101 PolarHBondContact O-N 3.48Å; Q99-Y101 PolarHBondContact O-N 2.93Å; Y101-L103 VanDerWaalsContact C-N 3.35Å; Y101-L104 PolarHBondContact O-N 3.1Å; Y101-N105 WeakPolarHBondContact O-CB 3.27Å; Y101-N105 PolarHBondContact O-N 3.26Å
102	A	52.4	Low	61	Low	65 Å²	65	90.1 Å²	90.1	54%	0.537	45%	0.449	S	S	.	.	H	α-helix	trans	-62.6	-44.5	172.4	0	0	0	0	0	110.9	T98 Q99 Q106	T98-A102 PolarHBondContact O-N 3.3Å; Q99-A102 WeakPolarHBondContact O-CB 3.33Å; Q99-A102 PolarHBondContact O-N 2.8Å; Q99-A102 VanDerWaalsContact O-N 3.1Å; A102-Q106 WeakPolarHBondContact O-CB 3.49Å; A102-Q106 PolarHBondContact O-N 3.13Å
103	L	51.7	Low	59.3	Low	105 Å²	105	90.9 Å²	90.9	55%	0.55	45%	0.452	S	S	.	.	H	α-helix	trans	-63.3	-48.2	175.1	-161.8	81.4	0	0	0	111	Q99 N100 Y101 N105 Q106 T107	Q99-L103 PolarHBondContact O-N 3.02Å; Q99-L103 VanDerWaalsContact O-N 3.09Å; N100-L103 PolarHBondContact O-N 2.77Å; Y101-L103 VanDerWaalsContact C-N 3.35Å; L103-N105 VanDerWaalsContact C-N 3.34Å; L103-N105 PolarHBondContact O-N 2.74Å; L103-Q106 CarbonylContact O-C 3.51Å; L103-Q106 WeakPolarHBondContact O-CA 3.28Å; L103-Q106 VanDerWaalsContact O-CB 3.25Å; L103-Q106 WeakPolarHBondContact O-CB 3.35Å; L103-Q106 PolarHBondContact O-N 3.34Å; L103-T107 PolarHBondContact O-N 3.48Å; L103-T107 PolarHBondContact O-OG1 3.02Å
104	L	51.2	Low	57.7	Low	93 Å²	93	96.6 Å²	96.6	49%	0.487	49%	0.489	S	S	.	.	H	α-helix	trans	-67.9	-29.9	-177.1	-159.7	135.4	0	0	0	112.9	N100 Y101 T107 N108	N100-L104 WeakPolarHBondContact O-CB 3.2Å; N100-L104 PolarHBondContact O-N 2.83Å; Y101-L104 PolarHBondContact O-N 3.1Å; L104-T107 CarbonylContact O-C 3.58Å; L104-T107 PolarHBondContact O-N 2.78Å; L104-N108 WeakPolarHBondContact O-CB 3.29Å; L104-N108 PolarHBondContact O-N 3.4Å
105	N	49.2	Very low	56.5	Low	68 Å²	68	96.9 Å²	96.9	36%	0.364	50%	0.498	S	S	.	.	H	α-helix	trans	-72.6	-32.9	168.5	-101	8.4	0	0	0	112.5	Y101 L103 T107 R109	Y101-N105 WeakPolarHBondContact O-CB 3.27Å; Y101-N105 PolarHBondContact O-N 3.26Å; L103-N105 VanDerWaalsContact C-N 3.34Å; L103-N105 PolarHBondContact O-N 2.74Å; N105-T107 VanDerWaalsContact C-N 3.29Å; N105-R109 PolarHBondContact O-N 3.44Å
106	Q	49.6	Very low	56	Low	123 Å²	123	96.8 Å²	96.8	58%	0.575	50%	0.501	S	S	*	.	H	α-helix	trans	-65.1	-37.8	170.2	-158.9	172.3	-6.9	0	0	110.3	A102 L103 L110	A102-Q106 WeakPolarHBondContact O-CB 3.49Å; A102-Q106 PolarHBondContact O-N 3.13Å; L103-Q106 CarbonylContact O-C 3.51Å; L103-Q106 WeakPolarHBondContact O-CA 3.28Å; L103-Q106 VanDerWaalsContact O-CB 3.25Å; L103-Q106 WeakPolarHBondContact O-CB 3.35Å; L103-Q106 PolarHBondContact O-N 3.34Å; Q106-L110 WeakPolarHBondContact O-CG 3.31Å; Q106-L110 PolarHBondContact O-N 2.76Å
107	T	46.1	Very low	55.8	Low	68 Å²	68	96.2 Å²	96.2	42%	0.417	50%	0.498	S	S	.	.	H	α-helix	trans	-73.3	-37.8	174.3	-24	0	0	0	0	113.2	L103 L104 N105 R109 L110 L111	L103-T107 PolarHBondContact O-N 3.48Å; L103-T107 PolarHBondContact O-OG1 3.02Å; L104-T107 CarbonylContact O-C 3.58Å; L104-T107 PolarHBondContact O-N 2.78Å; N105-T107 VanDerWaalsContact C-N 3.29Å; T107-R109 VanDerWaalsContact C-N 3.3Å; T107-R109 PolarHBondContact O-N 3.28Å; T107-L110 CarbonylContact O-C 3.57Å; T107-L110 WeakPolarHBondContact O-CA 3.21Å; T107-L110 WeakPolarHBondContact O-CB 3.49Å; T107-L110 PolarHBondContact O-N 2.87Å; T107-L111 PolarHBondContact O-N 2.97Å
108	N	47.3	Very low	55.6	Low	76 Å²	76	97.9 Å²	97.9	41%	0.406	52%	0.515	S	S	.	.	H	α-helix	trans	-65.1	-34.7	175.5	-86.7	-12.5	0	0	0	111.5	L104 L110 L111	L104-N108 WeakPolarHBondContact O-CB 3.29Å; L104-N108 PolarHBondContact O-N 3.4Å; N108-L110 PolarHBondContact O-N 3.29Å; N108-L111 WeakPolarHBondContact O-CB 3.39Å; N108-L111 PolarHBondContact O-N 3.42Å; N108-L111 VanDerWaalsContact O-N 3.12Å; N108-L111 WeakPolarHBondContact OD1-CD1 3.26Å
109	R	49	Very low	55.7	Low	183 Å²	183	99.7 Å²	99.7	69%	0.691	52%	0.52	S	S	*	.	H	α-helix	trans	-64.4	-29.2	169.7	-79.4	-168.9	-78.4	-157.9	-0.3	112.7	N105 T107	N105-R109 PolarHBondContact O-N 3.44Å; T107-R109 VanDerWaalsContact C-N 3.3Å; T107-R109 PolarHBondContact O-N 3.28Å
110	L	47.8	Very low	56.6	Low	117 Å²	117	94.5 Å²	94.5	61%	0.613	50%	0.496	S	S	*	.	H	α-helix	trans	-76.9	-21.4	172.4	-66.5	169.8	0	0	0	113	Q106 T107 N108 E112 H113	Q106-L110 WeakPolarHBondContact O-CG 3.31Å; Q106-L110 PolarHBondContact O-N 2.76Å; T107-L110 CarbonylContact O-C 3.57Å; T107-L110 WeakPolarHBondContact O-CA 3.21Å; T107-L110 WeakPolarHBondContact O-CB 3.49Å; T107-L110 PolarHBondContact O-N 2.87Å; N108-L110 PolarHBondContact O-N 3.29Å; L110-E112 VanDerWaalsContact C-N 3.25Å; L110-E112 PolarHBondContact O-N 2.88Å; L110-H113 PolarHBondContact O-N 3.38Å
111	L	47.7	Very low	57.5	Low	124 Å²	124	93.5 Å²	93.5	65%	0.649	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-8	175.6	-71.5	173.2	0	0	0	113.8	T107 N108 H113	T107-L111 PolarHBondContact O-N 2.97Å; N108-L111 WeakPolarHBondContact O-CB 3.39Å; N108-L111 PolarHBondContact O-N 3.42Å; N108-L111 VanDerWaalsContact O-N 3.12Å; N108-L111 WeakPolarHBondContact OD1-CD1 3.26Å; L111-H113 PolarHBondContact O-N 3.25Å
112	E	47.1	Very low	58.7	Low	166 Å²	166	92.6 Å²	92.6	78%	0.776	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-16.7	169.1	-70.4	-171	176.7	0	0	112.2	L110	L110-E112 VanDerWaalsContact C-N 3.25Å; L110-E112 PolarHBondContact O-N 2.88Å
113	H	50.7	Low	60.1	Low	134 Å²	134	94.6 Å²	94.6	62%	0.62	48%	0.48	S	S	*	.	S	Bend	trans	-85.3	123.2	168.9	-68.2	-65.9	0	0	0	109.9	L110 L111 C115	L110-H113 PolarHBondContact O-N 3.38Å; L111-H113 PolarHBondContact O-N 3.25Å; H113-C115 PolarHBondContact O-N 3.07Å
114	P	53.5	Low	61.5	Low	120 Å²	120	90.7 Å²	90.7	78%	0.779	46%	0.459	S	S	*	.			trans	-58.2	110.7	170.8	22	-29.5	0	0	0	108.6	C116	P114-C116 PolarHBondContact O-N 3.46Å
115	C	61	Low	62.7	Low	56 Å²	56	88.3 Å²	88.3	38%	0.378	45%	0.448	S	S	.	.			trans	-62.1	122.7	178.7	-175.9	0	0	0	0	109.1	H113 E119 F120	H113-C115 PolarHBondContact O-N 3.07Å; C115-E119 VanDerWaalsContact CA-OE2 3.31Å; C115-E119 WeakPolarHBondContact CA-OE2 3.48Å; C115-E119 PolarHBondContact SG-OE2 3.28Å; C115-F120 HydrophobicContact CB-CE2 4.1Å; C115-F120 WeakPolarHBondContact SG-CE2 3.47Å
116	C	70.8	Confident	64.1	Low	54 Å²	54	87.8 Å²	87.8	37%	0.365	44%	0.444	S	S	.	.			trans	-83.4	154.4	179.5	64.9	0	0	0	0	111	P114 S118 E119	P114-C116 PolarHBondContact O-N 3.46Å; C116-S118 PolarHBondContact O-N 3.43Å; C116-S118 VanDerWaalsContact O-N 3.14Å; C116-S118 PolarHBondContact SG-OG 3.35Å; C116-E119 PolarHBondContact N-OE2 3.31Å; C116-E119 WeakPolarHBondContact O-CB 3.36Å; C116-E119 PolarHBondContact O-N 3.4Å; C116-E119 WeakPolarHBondContact SG-CG 3.3Å; C116-E119 PolarHBondContact SG-N 3.06Å; C116-E119 PolarHBondContact SG-OE2 2.91Å
117	L	76.5	Confident	65.7	Low	57 Å²	57	82.5 Å²	82.5	30%	0.298	42%	0.421	S	S	.	.	H	α-helix	trans	-55.1	-35.1	178.2	-170.3	70	0	0	0	112	E119 F120 D121 R181 N185	L117-E119 VanDerWaalsContact C-N 3.32Å; L117-E119 PolarHBondContact O-N 3Å; L117-F120 PolarHBondContact O-N 3.43Å; L117-D121 PolarHBondContact O-N 3.05Å; L117-D121 VanDerWaalsContact O-N 3.12Å; L117-R181 HydrophobicContact CD1-CG 3.55Å; L117-N185 HydrophobicContact CD1-CB 4.42Å
118	S	72.4	Confident	67	Low	79 Å²	79	81.9 Å²	81.9	55%	0.552	42%	0.415	S	S	*	.	H	α-helix	trans	-65.4	-28.3	176.9	42.1	0	0	0	0	114.1	C116 R122	C116-S118 PolarHBondContact O-N 3.43Å; C116-S118 VanDerWaalsContact O-N 3.14Å; C116-S118 PolarHBondContact SG-OG 3.35Å; S118-R122 VanDerWaalsContact O-CB 3.32Å; S118-R122 WeakPolarHBondContact O-CB 3.24Å; S118-R122 PolarHBondContact O-N 2.86Å
119	E	77	Confident	68.3	Low	81 Å²	81	78.9 Å²	78.9	38%	0.379	40%	0.401	S	S	.	.	H	α-helix	trans	-71.3	-40	175.5	-83.1	167.8	147.7	0	0	111.9	C115 C116 L117 R122 R123	C115-E119 VanDerWaalsContact CA-OE2 3.31Å; C115-E119 WeakPolarHBondContact CA-OE2 3.48Å; C115-E119 PolarHBondContact SG-OE2 3.28Å; C116-E119 PolarHBondContact N-OE2 3.31Å; C116-E119 WeakPolarHBondContact O-CB 3.36Å; C116-E119 PolarHBondContact O-N 3.4Å; C116-E119 WeakPolarHBondContact SG-CG 3.3Å; C116-E119 PolarHBondContact SG-N 3.06Å; C116-E119 PolarHBondContact SG-OE2 2.91Å; L117-E119 VanDerWaalsContact C-N 3.32Å; L117-E119 PolarHBondContact O-N 3Å; E119-R122 PolarHBondContact O-N 3.1Å; E119-R123 WeakPolarHBondContact O-CB 3.48Å; E119-R123 VanDerWaalsContact O-CG 3.29Å; E119-R123 WeakPolarHBondContact O-CG 3.43Å; E119-R123 PolarHBondContact O-N 2.81Å
120	F	80.6	Confident	69.9	Low	30 Å²	30	75.5 Å²	75.5	13%	0.132	39%	0.392	C	S	.	.	H	α-helix	trans	-60.9	-47.9	172	-79.2	-72	0	0	0	111.1	C115 L117 R122 R123 I124 L177 A180 R181 V184	C115-F120 HydrophobicContact CB-CE2 4.1Å; C115-F120 WeakPolarHBondContact SG-CE2 3.47Å; L117-F120 PolarHBondContact O-N 3.43Å; F120-R122 VanDerWaalsContact C-N 3.3Å; F120-R122 PolarHBondContact O-N 2.98Å; F120-R123 PolarHBondContact O-N 3.12Å; F120-I124 WeakPolarHBondContact O-CB 3.45Å; F120-I124 WeakPolarHBondContact O-CD1 3.38Å; F120-I124 WeakPolarHBondContact O-CG1 3.28Å; F120-I124 PolarHBondContact O-N 2.77Å; F120-L177 HydrophobicContact CD1-CD2 4.31Å; F120-A180 HydrophobicContact CD1-CB 4.22Å; F120-A180 HydrophobicContact CE1-CB 3.4Å; F120-A180 VanDerWaalsContact CE1-CB 3.4Å; F120-A180 HydrophobicContact CZ-CB 3.85Å; F120-R181 HydrophobicContact CB-CB 3.77Å; F120-R181 HydrophobicContact CB-CG 3.79Å; F120-R181 HydrophobicContact CD1-CB 4.2Å; F120-R181 HydrophobicContact CD2-CB 4.49Å; F120-R181 HydrophobicContact CG-CB 3.91Å; F120-R181 HydrophobicContact CG-CG 4.32Å; F120-V184 HydrophobicContact CE2-CG2 3.78Å; F120-V184 HydrophobicContact CZ-CG2 4.41Å
121	D	74.9	Confident	71.6	Confident	61 Å²	61	70 Å²	70	33%	0.326	36%	0.363	S	S	.	.	H	α-helix	trans	-56.6	-46.4	177.1	-77.5	-36.5	0	0	0	111.2	L117 R123 I124 V125 R181	L117-D121 PolarHBondContact O-N 3.05Å; L117-D121 VanDerWaalsContact O-N 3.12Å; D121-R123 PolarHBondContact O-N 2.89Å; D121-I124 PolarHBondContact O-N 3.2Å; D121-V125 VanDerWaalsContact O-CG2 3.29Å; D121-V125 WeakPolarHBondContact O-CG2 3.48Å; D121-V125 PolarHBondContact O-N 3.49Å; D121-R181 WeakPolarHBondContact OD1-CD 3.13Å; D121-R181 IonicContact OD1-CZ 3.48Å; D121-R181 VanDerWaalsContact OD1-CZ 3.3Å; D121-R181 IonicContact OD1-NE 3.76Å; D121-R181 PolarHBondContact OD1-NE 2.8Å; D121-R181 IonicContact OD1-NH2 3.17Å; D121-R181 PolarHBondContact OD1-NH2 2.93Å; D121-R181 IonicContact OD2-CZ 3.66Å; D121-R181 IonicContact OD2-NE 3.97Å; D121-R181 IonicContact OD2-NH2 2.64Å; D121-R181 PolarHBondContact OD2-NH2 3Å; D121-R181 VanDerWaalsContact OD2-NH2 3.14Å
122	R	77	Confident	73	Confident	84 Å²	84	66 Å²	66	32%	0.317	34%	0.341	S	S	.	.	H	α-helix	trans	-59.8	-45.9	176.7	-167.5	-176.9	68.8	77	-6.9	112.8	S118 E119 F120 V125 E126 I463	S118-R122 VanDerWaalsContact O-CB 3.32Å; S118-R122 WeakPolarHBondContact O-CB 3.24Å; S118-R122 PolarHBondContact O-N 2.86Å; E119-R122 PolarHBondContact O-N 3.1Å; F120-R122 VanDerWaalsContact C-N 3.3Å; F120-R122 PolarHBondContact O-N 2.98Å; R122-V125 PolarHBondContact O-N 3.47Å; R122-E126 IonicContact NH1-OE2 3.32Å; R122-E126 PolarHBondContact NH1-OE2 3.13Å; R122-E126 VanDerWaalsContact NH1-OE2 3.12Å; R122-E126 WeakPolarHBondContact O-CB 3.41Å; R122-E126 PolarHBondContact O-N 2.95Å; R122-I463 HydrophobicContact CG-CB 4Å; R122-I463 HydrophobicContact CG-CD1 3.4Å; R122-I463 VanDerWaalsContact CG-CD1 3.4Å; R122-I463 HydrophobicContact CG-CG1 4.25Å; R122-I463 HydrophobicContact CG-CG2 4.06Å
123	R	81.1	Confident	74.6	Confident	108 Å²	108	61 Å²	61	41%	0.408	32%	0.319	S	S	.	.	H	α-helix	trans	-70	-35.1	-178.7	-74.9	-78.3	115.1	127.2	-17.4	112.5	E119 F120 D121 E126 A127 L177	E119-R123 WeakPolarHBondContact O-CB 3.48Å; E119-R123 VanDerWaalsContact O-CG 3.29Å; E119-R123 WeakPolarHBondContact O-CG 3.43Å; E119-R123 PolarHBondContact O-N 2.81Å; F120-R123 PolarHBondContact O-N 3.12Å; D121-R123 PolarHBondContact O-N 2.89Å; R123-E126 IonicContact CZ-OE2 2.86Å; R123-E126 IonicContact NE-OE2 2.69Å; R123-E126 PolarHBondContact NE-OE2 2.98Å; R123-E126 IonicContact NH2-OE1 3.06Å; R123-E126 PolarHBondContact NH2-OE1 3.05Å; R123-E126 IonicContact NH2-OE2 2.73Å; R123-E126 PolarHBondContact NH2-OE2 3.38Å; R123-E126 PolarHBondContact O-N 3.46Å; R123-A127 WeakPolarHBondContact O-CB 3.3Å; R123-A127 PolarHBondContact O-N 2.98Å; R123-L177 HydrophobicContact CB-CD1 4.15Å; R123-L177 HydrophobicContact CB-CD2 4.17Å
124	I	81	Confident	76.2	Confident	22 Å²	22	55.6 Å²	55.6	11%	0.113	29%	0.294	C	S	.	.	H	α-helix	trans	-62.7	-49	173.2	-71.1	162.6	0	0	0	109.5	F120 D121 E126 A127 D128 I174 L177 Q178 R181	F120-I124 WeakPolarHBondContact O-CB 3.45Å; F120-I124 WeakPolarHBondContact O-CD1 3.38Å; F120-I124 WeakPolarHBondContact O-CG1 3.28Å; F120-I124 PolarHBondContact O-N 2.77Å; D121-I124 PolarHBondContact O-N 3.2Å; I124-E126 VanDerWaalsContact C-N 3.34Å; I124-E126 PolarHBondContact O-N 2.93Å; I124-A127 PolarHBondContact O-N 2.78Å; I124-D128 WeakPolarHBondContact O-CB 3.06Å; I124-D128 PolarHBondContact O-N 2.95Å; I124-I174 HydrophobicContact CG2-CG2 4.43Å; I124-L177 HydrophobicContact CD1-CB 4.33Å; I124-L177 HydrophobicContact CG1-CB 3.59Å; I124-L177 HydrophobicContact CG1-CD1 4.4Å; I124-Q178 HydrophobicContact CD1-CG 3.82Å; I124-Q178 HydrophobicContact CG1-CG 4.24Å; I124-Q178 HydrophobicContact CG2-CG 4.42Å; I124-R181 HydrophobicContact CD1-CB 4.37Å
125	V	76.2	Confident	77.6	Confident	43 Å²	43	51 Å²	51	26%	0.261	26%	0.263	S	S	.	.	H	α-helix	trans	-59.9	-43.7	178	169.5	0	0	0	0	111.3	D121 R122 D128 A129 L618	D121-V125 VanDerWaalsContact O-CG2 3.29Å; D121-V125 WeakPolarHBondContact O-CG2 3.48Å; D121-V125 PolarHBondContact O-N 3.49Å; R122-V125 PolarHBondContact O-N 3.47Å; V125-D128 PolarHBondContact O-N 3.2Å; V125-A129 VanDerWaalsContact O-CB 3.26Å; V125-A129 WeakPolarHBondContact O-CB 3.48Å; V125-A129 PolarHBondContact O-N 2.81Å; V125-L618 HydrophobicContact CG1-CB 4.02Å; V125-L618 WeakPolarHBondContact CG1-O 3.38Å
126	E	78.7	Confident	78.6	Confident	57 Å²	57	49.8 Å²	49.8	27%	0.266	25%	0.253	S	S	.	.	H	α-helix	trans	-64.9	-42.3	177.9	-176.8	178.7	173.4	0	0	112.8	R122 R123 I124 A129 F130	R122-E126 IonicContact NH1-OE2 3.32Å; R122-E126 PolarHBondContact NH1-OE2 3.13Å; R122-E126 VanDerWaalsContact NH1-OE2 3.12Å; R122-E126 WeakPolarHBondContact O-CB 3.41Å; R122-E126 PolarHBondContact O-N 2.95Å; R123-E126 IonicContact CZ-OE2 2.86Å; R123-E126 IonicContact NE-OE2 2.69Å; R123-E126 PolarHBondContact NE-OE2 2.98Å; R123-E126 IonicContact NH2-OE1 3.06Å; R123-E126 PolarHBondContact NH2-OE1 3.05Å; R123-E126 IonicContact NH2-OE2 2.73Å; R123-E126 PolarHBondContact NH2-OE2 3.38Å; R123-E126 PolarHBondContact O-N 3.46Å; I124-E126 VanDerWaalsContact C-N 3.34Å; I124-E126 PolarHBondContact O-N 2.93Å; E126-A129 WeakPolarHBondContact O-CB 3.43Å; E126-A129 PolarHBondContact O-N 2.85Å; E126-F130 HydrophobicContact CG-CD2 4.07Å; E126-F130 HydrophobicContact CG-CE2 3.63Å; E126-F130 WeakPolarHBondContact O-CD2 3.24Å; E126-F130 PolarHBondContact O-N 3.45Å
127	A	82.4	Confident	79.2	Confident	12 Å²	12	51.6 Å²	51.6	10%	0.099	26%	0.256	C	S	.	.	H	α-helix	trans	-67.6	-38	176.2	0	0	0	0	0	112.2	R123 I124 A129 F130 L131 V170 I174 L177	R123-A127 WeakPolarHBondContact O-CB 3.3Å; R123-A127 PolarHBondContact O-N 2.98Å; I124-A127 PolarHBondContact O-N 2.78Å; A127-A129 VanDerWaalsContact C-N 3.32Å; A127-F130 PolarHBondContact O-N 2.87Å; A127-L131 WeakPolarHBondContact O-CB 3.4Å; A127-L131 PolarHBondContact O-N 3.47Å; A127-V170 WeakPolarHBondContact O-CG1 3.23Å; A127-I174 HydrophobicContact CB-CD1 4.32Å; A127-I174 HydrophobicContact CB-CG1 3.56Å; A127-L177 HydrophobicContact CB-CD1 4.21Å
128	D	75	Confident	79.6	Confident	55 Å²	55	50.3 Å²	50.3	29%	0.294	25%	0.249	S	C	.	.	H	α-helix	trans	-62.3	-41.9	173.9	-168.4	63.2	0	0	0	111.4	I124 V125 L131 Q132 I174	I124-D128 WeakPolarHBondContact O-CB 3.06Å; I124-D128 PolarHBondContact O-N 2.95Å; V125-D128 PolarHBondContact O-N 3.2Å; D128-L131 WeakPolarHBondContact O-CB 3.47Å; D128-L131 PolarHBondContact O-N 2.9Å; D128-Q132 PolarHBondContact O-N 2.82Å; D128-I174 HydrophobicContact CB-CD1 4.34Å
129	A	74.2	Confident	80.2	Confident	14 Å²	14	51.7 Å²	51.7	12%	0.116	25%	0.246	C	C	.	.	H	α-helix	trans	-54.5	-53.6	170.7	0	0	0	0	0	113.1	V125 E126 A127 L131 Q132 I133 L620	V125-A129 VanDerWaalsContact O-CB 3.26Å; V125-A129 WeakPolarHBondContact O-CB 3.48Å; V125-A129 PolarHBondContact O-N 2.81Å; E126-A129 WeakPolarHBondContact O-CB 3.43Å; E126-A129 PolarHBondContact O-N 2.85Å; A127-A129 VanDerWaalsContact C-N 3.32Å; A129-L131 VanDerWaalsContact C-N 3.3Å; A129-L131 PolarHBondContact O-N 2.87Å; A129-Q132 PolarHBondContact O-N 2.77Å; A129-I133 PolarHBondContact O-N 2.64Å; A129-L620 HydrophobicContact CB-CB 3.67Å; A129-L620 HydrophobicContact CB-CD1 3.17Å; A129-L620 HydrophobicContact CB-CG 3.29Å
130	F	82.6	Confident	80.4	Confident	111 Å²	111	53.4 Å²	53.4	49%	0.487	25%	0.254	S	S	.	.	H	α-helix	trans	-63.4	-37.4	177.2	-75.3	-58.9	0	0	0	112.5	E126 A127 Q132 I133 L134	E126-F130 HydrophobicContact CG-CD2 4.07Å; E126-F130 HydrophobicContact CG-CE2 3.63Å; E126-F130 WeakPolarHBondContact O-CD2 3.24Å; E126-F130 PolarHBondContact O-N 3.45Å; A127-F130 PolarHBondContact O-N 2.87Å; F130-Q132 VanDerWaalsContact C-N 3.32Å; F130-Q132 PolarHBondContact O-N 2.75Å; F130-I133 PolarHBondContact O-N 2.65Å; F130-L134 VanDerWaalsContact O-CG 3.3Å; F130-L134 WeakPolarHBondContact O-CG 3.27Å; F130-L134 PolarHBondContact O-N 2.85Å
131	L	84.1	Confident	80.5	Confident	1 Å²	1	54.1 Å²	54.1	1%	0.005	26%	0.259	C	S	.	.	H	α-helix	trans	-60.5	-43.2	175.8	179	57.5	0	0	0	111.5	A127 D128 A129 L134 I135 I167 V170 K171 I174 F685	A127-L131 WeakPolarHBondContact O-CB 3.4Å; A127-L131 PolarHBondContact O-N 3.47Å; D128-L131 WeakPolarHBondContact O-CB 3.47Å; D128-L131 PolarHBondContact O-N 2.9Å; A129-L131 VanDerWaalsContact C-N 3.3Å; A129-L131 PolarHBondContact O-N 2.87Å; L131-L134 PolarHBondContact O-N 2.88Å; L131-I135 HydrophobicContact CD1-CD1 4.02Å; L131-I135 HydrophobicContact CD1-CG1 4.25Å; L131-I135 HydrophobicContact CG-CD1 3.92Å; L131-I135 VanDerWaalsContact O-CG1 3.3Å; L131-I135 WeakPolarHBondContact O-CG1 3.28Å; L131-I135 PolarHBondContact O-N 2.89Å; L131-I167 HydrophobicContact CD1-CB 4.35Å; L131-I167 HydrophobicContact CD1-CG2 3.79Å; L131-V170 HydrophobicContact CB-CG1 3.77Å; L131-V170 HydrophobicContact CD1-CB 4.36Å; L131-V170 HydrophobicContact CD1-CG1 4.48Å; L131-K171 HydrophobicContact CD1-CG 3.83Å; L131-K171 HydrophobicContact CD2-CG 3.63Å; L131-K171 HydrophobicContact CG-CG 4.42Å; L131-I174 HydrophobicContact CB-CD1 4.15Å; L131-I174 HydrophobicContact CD2-CD1 3.56Å; L131-F685 HydrophobicContact CD2-CB 3.68Å; L131-F685 HydrophobicContact CD2-CD2 3.83Å; L131-F685 HydrophobicContact CD2-CG 4.15Å
132	Q	76.3	Confident	80.9	Confident	41 Å²	41	54.1 Å²	54.1	19%	0.192	26%	0.261	C	S	.	.	H	α-helix	trans	-64.2	-42.4	178.5	-169	56.7	54.8	0	0	111.8	D128 A129 F130 L134 I135 D136	D128-Q132 PolarHBondContact O-N 2.82Å; A129-Q132 PolarHBondContact O-N 2.77Å; F130-Q132 VanDerWaalsContact C-N 3.32Å; F130-Q132 PolarHBondContact O-N 2.75Å; Q132-L134 VanDerWaalsContact C-N 3.32Å; Q132-L134 PolarHBondContact O-N 3.07Å; Q132-I135 PolarHBondContact O-N 2.9Å; Q132-D136 PolarHBondContact NE2-OD1 3.47Å; Q132-D136 PolarHBondContact O-N 2.94Å
133	I	79.8	Confident	81	Confident	61 Å²	61	53.9 Å²	53.9	31%	0.313	27%	0.272	S	S	.	.	H	α-helix	trans	-57.4	-46.6	174.1	-67.3	169.5	0	0	0	110.9	A129 F130 I135 D136 Q137 L620	A129-I133 PolarHBondContact O-N 2.64Å; F130-I133 PolarHBondContact O-N 2.65Å; I133-I135 VanDerWaalsContact C-N 3.34Å; I133-I135 PolarHBondContact O-N 3.34Å; I133-D136 PolarHBondContact O-N 3.07Å; I133-Q137 HydrophobicContact CG2-CG 4.37Å; I133-Q137 WeakPolarHBondContact O-CB 3.38Å; I133-Q137 WeakPolarHBondContact O-CG 3.09Å; I133-Q137 PolarHBondContact O-N 3.01Å; I133-L620 HydrophobicContact CD1-CD1 3.45Å; I133-L620 VanDerWaalsContact CD1-CD1 3.45Å; I133-L620 HydrophobicContact CG1-CD1 4.06Å
134	L	85.1	Confident	80.7	Confident	20 Å²	20	54 Å²	54	11%	0.105	28%	0.278	C	S	.	.	H	α-helix	trans	-64.4	-38.5	-179.6	-69.9	169.3	0	0	0	112.3	F130 L131 Q132 H138 M163 L166 I167 V170	F130-L134 VanDerWaalsContact O-CG 3.3Å; F130-L134 WeakPolarHBondContact O-CG 3.27Å; F130-L134 PolarHBondContact O-N 2.85Å; L131-L134 PolarHBondContact O-N 2.88Å; Q132-L134 VanDerWaalsContact C-N 3.32Å; Q132-L134 PolarHBondContact O-N 3.07Å; L134-H138 WeakPolarHBondContact O-CB 3.17Å; L134-H138 PolarHBondContact O-N 2.88Å; L134-M163 HydrophobicContact CD2-SD 3.5Å; L134-M163 WeakPolarHBondContact CD2-SD 3.32Å; L134-L166 HydrophobicContact CD1-CD2 4.08Å; L134-L166 HydrophobicContact CD1-CG 3.78Å; L134-L166 HydrophobicContact CD2-CD2 3.54Å; L134-L166 HydrophobicContact CD2-CG 4.12Å; L134-L166 HydrophobicContact CG-CD2 4.49Å; L134-I167 HydrophobicContact CB-CD1 4.4Å; L134-I167 HydrophobicContact CB-CG1 3.67Å; L134-V170 HydrophobicContact CD1-CB 4.42Å; L134-V170 HydrophobicContact CD1-CG2 3.69Å
135	I	83.6	Confident	80.2	Confident	23 Å²	23	56.2 Å²	56.2	12%	0.118	29%	0.289	C	S	.	.	H	α-helix	trans	-64	-49	175.5	-70.1	167.1	0	0	0	110.1	L131 Q132 I133 Q137 H138 E139 I167	L131-I135 HydrophobicContact CD1-CD1 4.02Å; L131-I135 HydrophobicContact CD1-CG1 4.25Å; L131-I135 HydrophobicContact CG-CD1 3.92Å; L131-I135 VanDerWaalsContact O-CG1 3.3Å; L131-I135 WeakPolarHBondContact O-CG1 3.28Å; L131-I135 PolarHBondContact O-N 2.89Å; Q132-I135 PolarHBondContact O-N 2.9Å; I133-I135 VanDerWaalsContact C-N 3.34Å; I133-I135 PolarHBondContact O-N 3.34Å; I135-Q137 PolarHBondContact O-N 2.98Å; I135-H138 WeakPolarHBondContact O-CB 3.22Å; I135-H138 PolarHBondContact O-N 3.41Å; I135-H138 VanDerWaalsContact O-N 3.17Å; I135-E139 HydrophobicContact CG2-CG 4.42Å; I135-E139 WeakPolarHBondContact O-CG 3.31Å; I135-E139 PolarHBondContact O-N 2.75Å; I135-I167 HydrophobicContact CG1-CD1 4.2Å; I135-I167 HydrophobicContact CG1-CG1 4.47Å; I135-I167 HydrophobicContact CG1-CG2 4.35Å
136	D	80.3	Confident	79.7	Confident	31 Å²	31	59.7 Å²	59.7	17%	0.166	31%	0.312	C	S	.	.	H	α-helix	trans	-61.4	-44.7	-178.9	-69.4	-4.4	0	0	0	111.1	Q132 I133 H138 E139 Q140 N652	Q132-D136 PolarHBondContact NE2-OD1 3.47Å; Q132-D136 PolarHBondContact O-N 2.94Å; I133-D136 PolarHBondContact O-N 3.07Å; D136-H138 VanDerWaalsContact C-N 3.34Å; D136-H138 PolarHBondContact O-N 3.09Å; D136-E139 PolarHBondContact O-N 2.93Å; D136-Q140 WeakPolarHBondContact O-CB 3.25Å; D136-Q140 VanDerWaalsContact O-CG 3.31Å; D136-Q140 WeakPolarHBondContact O-CG 3.27Å; D136-Q140 PolarHBondContact O-N 3.03Å; D136-N652 PolarHBondContact OD2-ND2 3.34Å
137	Q	83.9	Confident	78.9	Confident	93 Å²	93	61.1 Å²	61.1	44%	0.435	33%	0.328	S	S	.	.	H	α-helix	trans	-64.3	-37.9	175.7	-72.8	-179.8	-18.2	0	0	112.5	I133 I135 L141 M163	I133-Q137 HydrophobicContact CG2-CG 4.37Å; I133-Q137 WeakPolarHBondContact O-CB 3.38Å; I133-Q137 WeakPolarHBondContact O-CG 3.09Å; I133-Q137 PolarHBondContact O-N 3.01Å; I135-Q137 PolarHBondContact O-N 2.98Å; Q137-L141 VanDerWaalsContact O-CB 3.31Å; Q137-L141 WeakPolarHBondContact O-CB 3.32Å; Q137-L141 PolarHBondContact O-N 3.21Å; Q137-M163 HydrophobicContact CB-CE 4.35Å
138	H	86.3	Confident	77.8	Confident	30 Å²	30	62.6 Å²	62.6	14%	0.139	34%	0.338	C	S	.	.	H	α-helix	trans	-66.7	-44.3	176	177.7	-91.9	0	0	0	111.6	L134 I135 D136 L141 V142 T160 M163 I167	L134-H138 WeakPolarHBondContact O-CB 3.17Å; L134-H138 PolarHBondContact O-N 2.88Å; I135-H138 WeakPolarHBondContact O-CB 3.22Å; I135-H138 PolarHBondContact O-N 3.41Å; I135-H138 VanDerWaalsContact O-N 3.17Å; D136-H138 VanDerWaalsContact C-N 3.34Å; D136-H138 PolarHBondContact O-N 3.09Å; H138-L141 PolarHBondContact O-N 2.84Å; H138-V142 WeakPolarHBondContact O-CB 3.31Å; H138-V142 VanDerWaalsContact O-CG2 3.24Å; H138-V142 WeakPolarHBondContact O-CG2 3.36Å; H138-V142 PolarHBondContact O-N 2.85Å; H138-T160 WeakPolarHBondContact NE2-CG2 3.43Å; H138-M163 HydrophobicContact CB-CG 3.94Å; H138-I167 HydrophobicContact CB-CD1 3.76Å
139	E	84.3	Confident	77.1	Confident	107 Å²	107	68.4 Å²	68.4	50%	0.5	37%	0.369	S	S	.	.	H	α-helix	trans	-61.7	-44.7	176	-73.6	-180	-176.5	0	0	111.4	I135 D136 V142 S143	I135-E139 HydrophobicContact CG2-CG 4.42Å; I135-E139 WeakPolarHBondContact O-CG 3.31Å; I135-E139 PolarHBondContact O-N 2.75Å; D136-E139 PolarHBondContact O-N 2.93Å; E139-V142 PolarHBondContact O-N 3.32Å; E139-S143 WeakPolarHBondContact O-CB 3.24Å; E139-S143 PolarHBondContact O-N 3.38Å
140	Q	81.4	Confident	76.5	Confident	118 Å²	118	77.1 Å²	77.1	55%	0.551	41%	0.407	S	S	*	.	H	α-helix	trans	-59.8	-49.9	174.6	-73.3	175.2	17.2	0	0	111.5	D136 V142 S143 H144	D136-Q140 WeakPolarHBondContact O-CB 3.25Å; D136-Q140 VanDerWaalsContact O-CG 3.31Å; D136-Q140 WeakPolarHBondContact O-CG 3.27Å; D136-Q140 PolarHBondContact O-N 3.03Å; Q140-V142 VanDerWaalsContact C-N 3.33Å; Q140-V142 PolarHBondContact O-N 2.9Å; Q140-S143 PolarHBondContact O-N 2.86Å; Q140-S143 PolarHBondContact O-OG 2.77Å; Q140-H144 PolarHBondContact O-CD2 2.95Å; Q140-H144 PolarHBondContact O-N 2.68Å
141	L	82.4	Confident	75.5	Confident	44 Å²	44	74.8 Å²	74.8	23%	0.23	40%	0.404	C	S	.	.	H	α-helix	trans	-57.8	-46.1	178.7	-176.8	66.6	0	0	0	111.4	Q137 H138 S143 H144 I145 M156 V159 T160	Q137-L141 VanDerWaalsContact O-CB 3.31Å; Q137-L141 WeakPolarHBondContact O-CB 3.32Å; Q137-L141 PolarHBondContact O-N 3.21Å; H138-L141 PolarHBondContact O-N 2.84Å; L141-S143 VanDerWaalsContact C-N 3.33Å; L141-S143 PolarHBondContact O-N 2.88Å; L141-H144 PolarHBondContact O-N 3.04Å; L141-I145 WeakPolarHBondContact O-CG1 3.34Å; L141-I145 PolarHBondContact O-N 3.45Å; L141-M156 HydrophobicContact CD1-CE 4.13Å; L141-V159 HydrophobicContact CD2-CB 4.4Å; L141-V159 HydrophobicContact CD2-CG1 3.76Å; L141-T160 WeakPolarHBondContact CD2-OG1 3.41Å
142	V	83.4	Confident	75	Confident	62 Å²	62	83.3 Å²	83.3	38%	0.376	44%	0.436	S	S	.	.	H	α-helix	trans	-63.4	-38.6	178.8	170.4	0	0	0	0	111.8	H138 E139 Q140 H144 I145 T160	H138-V142 WeakPolarHBondContact O-CB 3.31Å; H138-V142 VanDerWaalsContact O-CG2 3.24Å; H138-V142 WeakPolarHBondContact O-CG2 3.36Å; H138-V142 PolarHBondContact O-N 2.85Å; E139-V142 PolarHBondContact O-N 3.32Å; Q140-V142 VanDerWaalsContact C-N 3.33Å; Q140-V142 PolarHBondContact O-N 2.9Å; V142-H144 PolarHBondContact O-N 2.84Å; V142-I145 HydrophobicContact CG2-CD1 4.45Å; V142-I145 PolarHBondContact O-N 2.74Å; V142-T160 HydrophobicContact CG2-CG2 3.72Å
143	S	78.7	Confident	74.8	Confident	78 Å²	78	85.5 Å²	85.5	55%	0.545	45%	0.454	S	S	.	.	H	α-helix	trans	-66	-26.6	178.1	75.2	0	0	0	0	113.4	E139 Q140 L141 P146	E139-S143 WeakPolarHBondContact O-CB 3.24Å; E139-S143 PolarHBondContact O-N 3.38Å; Q140-S143 PolarHBondContact O-N 2.86Å; Q140-S143 PolarHBondContact O-OG 2.77Å; L141-S143 VanDerWaalsContact C-N 3.33Å; L141-S143 PolarHBondContact O-N 2.88Å; S143-P146 WeakPolarHBondContact O-CD 3.48Å
144	H	74.2	Confident	74.7	Confident	112 Å²	112	89.1 Å²	89.1	52%	0.519	47%	0.47	S	S	.	.	H	α-helix	trans	-84.9	-20	179	-77.8	-65.6	0	0	0	114.2	Q140 L141 V142 P146 S147	Q140-H144 PolarHBondContact O-CD2 2.95Å; Q140-H144 PolarHBondContact O-N 2.68Å; L141-H144 PolarHBondContact O-N 3.04Å; V142-H144 PolarHBondContact O-N 2.84Å; H144-P146 VanDerWaalsContact C-CD 3.49Å; H144-S147 WeakPolarHBondContact CA-OG 3.4Å; H144-S147 PolarHBondContact O-N 2.82Å; H144-S147 VanDerWaalsContact O-N 3.08Å; H144-S147 PolarHBondContact O-OG 2.96Å
145	I	71.3	Confident	74.5	Confident	67 Å²	67	92.8 Å²	92.8	34%	0.344	49%	0.489	S	S	.	.	G	3₁₀ helix	trans	-54.1	-45.1	-178.9	-65.8	169.2	0	0	0	113.1	L141 V142 S147 M156	L141-I145 WeakPolarHBondContact O-CG1 3.34Å; L141-I145 PolarHBondContact O-N 3.45Å; V142-I145 HydrophobicContact CG2-CD1 4.45Å; V142-I145 PolarHBondContact O-N 2.74Å; I145-S147 VanDerWaalsContact C-N 3.25Å; I145-S147 PolarHBondContact O-N 3.16Å; I145-M156 HydrophobicContact CB-CE 4.36Å; I145-M156 HydrophobicContact CG1-CE 3.61Å; I145-M156 HydrophobicContact CG1-SD 4.32Å
146	P	66	Low	74.3	Confident	117 Å²	117	92.7 Å²	92.7	76%	0.76	49%	0.488	S	S	*	.	G	3₁₀ helix	trans	-71.7	-19.4	-179.3	-15.3	30.2	0	0	0	113.8	S143 H144	S143-P146 WeakPolarHBondContact O-CD 3.48Å; H144-P146 VanDerWaalsContact C-CD 3.49Å
147	S	62.6	Low	74.4	Confident	86 Å²	86	93 Å²	93	60%	0.601	50%	0.498	S	S	*	.	G	3₁₀ helix	trans	-95.3	-9.2	-169.2	55.3	0	0	0	0	114.8	H144 I145	H144-S147 WeakPolarHBondContact CA-OG 3.4Å; H144-S147 PolarHBondContact O-N 2.82Å; H144-S147 VanDerWaalsContact O-N 3.08Å; H144-S147 PolarHBondContact O-OG 2.96Å; I145-S147 VanDerWaalsContact C-N 3.25Å; I145-S147 PolarHBondContact O-N 3.16Å
148	S	58.3	Low	74.4	Confident	44 Å²	44	90.8 Å²	90.8	31%	0.308	50%	0.496	S	S	.	.			trans	-108.8	105.3	-175.7	71	0	0	0	0	112.3	E150 C151	S148-E150 PolarHBondContact O-N 3.25Å; S148-C151 VanDerWaalsContact OG-CB 3.3Å; S148-C151 WeakPolarHBondContact OG-CB 3.41Å
149	D	60.9	Low	74.4	Confident	176 Å²	176	92.5 Å²	92.5	94%	0.941	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-20	169.2	-83.9	-27.1	0	0	0	112.5
150	E	62	Low	74.5	Confident	197 Å²	197	88.4 Å²	88.4	92%	0.921	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.4	-8.4	-174.4	-72.4	-168.7	154	0	0	115.2	S148	S148-E150 PolarHBondContact O-N 3.25Å
151	C	60.7	Low	74.8	Confident	62 Å²	62	89.1 Å²	89.1	42%	0.419	49%	0.492	S	S	.	.	S	Bend	trans	-98.2	134.2	-171.5	-139.5	0	0	0	0	112.3	S148 P153 M156	S148-C151 VanDerWaalsContact OG-CB 3.3Å; S148-C151 WeakPolarHBondContact OG-CB 3.41Å; C151-P153 WeakPolarHBondContact O-CD 3.11Å; C151-P153 VanDerWaalsContact O-N 3.1Å; C151-M156 HydrophobicContact CB-CG 4.09Å; C151-M156 HydrophobicContact CB-SD 3.44Å; C151-M156 WeakPolarHBondContact CB-SD 3.33Å; C151-M156 VanDerWaalsContact SG-CG 3.55Å
152	R	73.8	Confident	75.2	Confident	180 Å²	180	96.1 Å²	96.1	68%	0.679	52%	0.515	S	S	*	.			trans	-64.7	108.7	174.5	-67.9	-177.4	-177.5	-179.6	0.6	109.2	E154 I155 M156	R152-E154 PolarHBondContact O-N 2.85Å; R152-E154 VanDerWaalsContact O-N 3.09Å; R152-I155 HydrophobicContact CB-CB 4.41Å; R152-I155 HydrophobicContact CB-CD1 4.03Å; R152-I155 HydrophobicContact CB-CG1 4.04Å; R152-I155 HydrophobicContact CG-CD1 4.47Å; R152-I155 PolarHBondContact O-N 2.85Å; R152-M156 PolarHBondContact O-N 3.23Å
153	P	71.4	Confident	75.4	Confident	88 Å²	88	94.9 Å²	94.9	57%	0.571	51%	0.506	S	S	*	.	H	α-helix	trans	-60.6	-26.4	-172.3	22.6	-31.5	0	0	0	112.4	C151 G157	C151-P153 WeakPolarHBondContact O-CD 3.11Å; C151-P153 VanDerWaalsContact O-N 3.1Å; P153-G157 PolarHBondContact O-N 3.01Å
154	E	77.6	Confident	75.9	Confident	137 Å²	137	94.3 Å²	94.3	64%	0.64	49%	0.494	S	S	*	.	H	α-helix	trans	-66.1	-40.7	176.3	-56.8	76.1	-161.9	0	0	112.3	R152 A158	R152-E154 PolarHBondContact O-N 2.85Å; R152-E154 VanDerWaalsContact O-N 3.09Å; E154-A158 WeakPolarHBondContact O-CB 3.47Å; E154-A158 PolarHBondContact O-N 3.28Å
155	I	81.6	Confident	76.6	Confident	97 Å²	97	95.5 Å²	95.5	50%	0.497	49%	0.494	S	S	.	.	H	α-helix	trans	-69.9	-46.9	179.6	-60.3	-179.1	0	0	0	109.4	R152 G157 A158 V159	R152-I155 HydrophobicContact CB-CB 4.41Å; R152-I155 HydrophobicContact CB-CD1 4.03Å; R152-I155 HydrophobicContact CB-CG1 4.04Å; R152-I155 HydrophobicContact CG-CD1 4.47Å; R152-I155 PolarHBondContact O-N 2.85Å; I155-G157 VanDerWaalsContact C-N 3.33Å; I155-G157 PolarHBondContact O-N 3.2Å; I155-A158 PolarHBondContact O-N 3.07Å; I155-V159 HydrophobicContact CG2-CG2 4.44Å; I155-V159 WeakPolarHBondContact O-CG2 3.49Å; I155-V159 PolarHBondContact O-N 3.08Å
156	M	79.6	Confident	77.5	Confident	21 Å²	21	96 Å²	96	10%	0.103	50%	0.498	C	S	.	.	H	α-helix	trans	-61.3	-42.7	177.6	-66.9	-169.3	82.9	0	0	111.8	L141 I145 C151 R152 A158 V159 T160	L141-M156 HydrophobicContact CD1-CE 4.13Å; I145-M156 HydrophobicContact CB-CE 4.36Å; I145-M156 HydrophobicContact CG1-CE 3.61Å; I145-M156 HydrophobicContact CG1-SD 4.32Å; C151-M156 HydrophobicContact CB-CG 4.09Å; C151-M156 HydrophobicContact CB-SD 3.44Å; C151-M156 WeakPolarHBondContact CB-SD 3.33Å; C151-M156 VanDerWaalsContact SG-CG 3.55Å; R152-M156 PolarHBondContact O-N 3.23Å; M156-A158 VanDerWaalsContact C-N 3.33Å; M156-A158 PolarHBondContact O-N 3.41Å; M156-V159 PolarHBondContact O-N 3.3Å; M156-T160 WeakPolarHBondContact O-CB 3.47Å; M156-T160 PolarHBondContact O-N 3.31Å; M156-T160 PolarHBondContact O-OG1 3.34Å
157	G	81.7	Confident	78.6	Confident	37 Å²	37	90.7 Å²	90.7	38%	0.381	46%	0.463	S	S	.	.	H	α-helix	trans	-59.7	-42.8	174.6	0	0	0	0	0	112.1	P153 I155 F161	P153-G157 PolarHBondContact O-N 3.01Å; I155-G157 VanDerWaalsContact C-N 3.33Å; I155-G157 PolarHBondContact O-N 3.2Å; G157-F161 VanDerWaalsContact O-CB 3.26Å; G157-F161 WeakPolarHBondContact O-CB 3.33Å; G157-F161 PolarHBondContact O-N 2.95Å
158	A	84.5	Confident	79.7	Confident	46 Å²	46	89.2 Å²	89.2	38%	0.38	45%	0.446	S	S	.	.	H	α-helix	trans	-65.9	-42.2	177	0	0	0	0	0	112.9	E154 I155 M156 F161 R162	E154-A158 WeakPolarHBondContact O-CB 3.47Å; E154-A158 PolarHBondContact O-N 3.28Å; I155-A158 PolarHBondContact O-N 3.07Å; M156-A158 VanDerWaalsContact C-N 3.33Å; M156-A158 PolarHBondContact O-N 3.41Å; A158-F161 PolarHBondContact O-N 2.6Å; A158-R162 WeakPolarHBondContact O-CB 3.46Å; A158-R162 VanDerWaalsContact O-CG 3.3Å; A158-R162 WeakPolarHBondContact O-CG 3.31Å; A158-R162 PolarHBondContact O-N 3.15Å
159	V	86	Confident	81.2	Confident	67 Å²	67	92 Å²	92	41%	0.406	46%	0.457	S	S	.	.	H	α-helix	trans	-64.4	-48	176.4	174.6	0	0	0	0	110.4	L141 I155 M156 F161 R162 M163	L141-V159 HydrophobicContact CD2-CB 4.4Å; L141-V159 HydrophobicContact CD2-CG1 3.76Å; I155-V159 HydrophobicContact CG2-CG2 4.44Å; I155-V159 WeakPolarHBondContact O-CG2 3.49Å; I155-V159 PolarHBondContact O-N 3.08Å; M156-V159 PolarHBondContact O-N 3.3Å; V159-F161 VanDerWaalsContact C-N 3.32Å; V159-F161 PolarHBondContact O-N 2.92Å; V159-R162 PolarHBondContact O-N 3.23Å; V159-M163 WeakPolarHBondContact O-CB 3.48Å; V159-M163 PolarHBondContact O-N 3.32Å
160	T	86.9	Confident	82.4	Confident	20 Å²	20	84.7 Å²	84.7	12%	0.123	42%	0.419	C	S	.	.	H	α-helix	trans	-58.1	-45.6	177.6	-54.6	0	0	0	0	110.8	H138 L141 V142 M156 R162 M163 Q164	H138-T160 WeakPolarHBondContact NE2-CG2 3.43Å; L141-T160 WeakPolarHBondContact CD2-OG1 3.41Å; V142-T160 HydrophobicContact CG2-CG2 3.72Å; M156-T160 WeakPolarHBondContact O-CB 3.47Å; M156-T160 PolarHBondContact O-N 3.31Å; M156-T160 PolarHBondContact O-OG1 3.34Å; T160-R162 PolarHBondContact O-N 3.31Å; T160-M163 PolarHBondContact O-N 3.33Å; T160-Q164 WeakPolarHBondContact O-CB 3.49Å; T160-Q164 PolarHBondContact O-N 2.78Å
161	F	87.2	Confident	83.4	Confident	134 Å²	134	77 Å²	77	59%	0.588	38%	0.382	S	S	*	.	H	α-helix	trans	-61.1	-44.1	176.4	179.6	-98.3	0	0	0	112.7	G157 A158 V159 Q164 R165	G157-F161 VanDerWaalsContact O-CB 3.26Å; G157-F161 WeakPolarHBondContact O-CB 3.33Å; G157-F161 PolarHBondContact O-N 2.95Å; A158-F161 PolarHBondContact O-N 2.6Å; V159-F161 VanDerWaalsContact C-N 3.32Å; V159-F161 PolarHBondContact O-N 2.92Å; F161-Q164 PolarHBondContact O-N 2.85Å; F161-R165 HydrophobicContact CD1-CG 4.4Å; F161-R165 HydrophobicContact CE1-CG 4.04Å; F161-R165 HydrophobicContact CZ-CG 4.24Å; F161-R165 WeakPolarHBondContact O-CG 3.43Å; F161-R165 PolarHBondContact O-N 3Å
162	R	90	Very high	84.5	Confident	190 Å²	190	80.3 Å²	80.3	72%	0.717	39%	0.39	S	S	*	.	H	α-helix	trans	-65.1	-42	176.9	-73.8	176.1	-176.4	-147.2	2.3	111.8	A158 V159 T160 Q164 R165 L166	A158-R162 WeakPolarHBondContact O-CB 3.46Å; A158-R162 VanDerWaalsContact O-CG 3.3Å; A158-R162 WeakPolarHBondContact O-CG 3.31Å; A158-R162 PolarHBondContact O-N 3.15Å; V159-R162 PolarHBondContact O-N 3.23Å; T160-R162 PolarHBondContact O-N 3.31Å; R162-Q164 VanDerWaalsContact C-N 3.34Å; R162-Q164 PolarHBondContact O-N 2.77Å; R162-R165 WeakPolarHBondContact O-CB 3.43Å; R162-R165 PolarHBondContact O-N 2.82Å; R162-R165 VanDerWaalsContact O-N 3.16Å; R162-L166 PolarHBondContact O-N 3.19Å
163	M	88.5	Confident	85.2	Confident	37 Å²	37	75.2 Å²	75.2	18%	0.182	38%	0.379	C	S	.	.	H	α-helix	trans	-60.7	-44.9	175.7	-168	68.3	87.1	0	0	110.7	L134 Q137 H138 V159 T160 R165 L166 I167	L134-M163 HydrophobicContact CD2-SD 3.5Å; L134-M163 WeakPolarHBondContact CD2-SD 3.32Å; Q137-M163 HydrophobicContact CB-CE 4.35Å; H138-M163 HydrophobicContact CB-CG 3.94Å; V159-M163 WeakPolarHBondContact O-CB 3.48Å; V159-M163 PolarHBondContact O-N 3.32Å; T160-M163 PolarHBondContact O-N 3.33Å; M163-R165 VanDerWaalsContact C-N 3.3Å; M163-R165 PolarHBondContact O-N 2.83Å; M163-L166 WeakPolarHBondContact O-CB 3.32Å; M163-L166 PolarHBondContact O-N 3.23Å; M163-L166 VanDerWaalsContact O-N 3.1Å; M163-I167 WeakPolarHBondContact O-CG1 3.31Å; M163-I167 PolarHBondContact O-N 2.8Å
164	Q	88.3	Confident	85.8	Confident	65 Å²	65	71 Å²	71	30%	0.304	35%	0.352	S	S	.	.	H	α-helix	trans	-61.1	-36.6	175	-174.5	60	74.8	0	0	112.6	T160 F161 R162 E168	T160-Q164 WeakPolarHBondContact O-CB 3.49Å; T160-Q164 PolarHBondContact O-N 2.78Å; F161-Q164 PolarHBondContact O-N 2.85Å; R162-Q164 VanDerWaalsContact C-N 3.34Å; R162-Q164 PolarHBondContact O-N 2.77Å; Q164-E168 WeakPolarHBondContact O-CG 3.25Å; Q164-E168 PolarHBondContact O-N 2.97Å
165	R	90.6	Very high	85.8	Confident	137 Å²	137	67.1 Å²	67.1	52%	0.517	34%	0.337	S	S	.	.	H	α-helix	trans	-66.4	-40.5	172.6	-69.1	-72.3	80.5	177.1	1.4	112.1	F161 R162 M163 E168 L169	F161-R165 HydrophobicContact CD1-CG 4.4Å; F161-R165 HydrophobicContact CE1-CG 4.04Å; F161-R165 HydrophobicContact CZ-CG 4.24Å; F161-R165 WeakPolarHBondContact O-CG 3.43Å; F161-R165 PolarHBondContact O-N 3Å; R162-R165 WeakPolarHBondContact O-CB 3.43Å; R162-R165 PolarHBondContact O-N 2.82Å; R162-R165 VanDerWaalsContact O-N 3.16Å; M163-R165 VanDerWaalsContact C-N 3.3Å; M163-R165 PolarHBondContact O-N 2.83Å; R165-E168 PolarHBondContact O-N 2.92Å; R165-L169 WeakPolarHBondContact O-CG 3.47Å; R165-L169 PolarHBondContact O-N 2.86Å
166	L	90.2	Very high	86	Confident	79 Å²	79	66.5 Å²	66.5	41%	0.414	34%	0.34	S	S	.	.	H	α-helix	trans	-63.8	-44.2	176.9	-174.9	58.2	0	0	0	111.4	L134 R162 M163 E168 L169 V170	L134-L166 HydrophobicContact CD1-CD2 4.08Å; L134-L166 HydrophobicContact CD1-CG 3.78Å; L134-L166 HydrophobicContact CD2-CD2 3.54Å; L134-L166 HydrophobicContact CD2-CG 4.12Å; L134-L166 HydrophobicContact CG-CD2 4.49Å; R162-L166 PolarHBondContact O-N 3.19Å; M163-L166 WeakPolarHBondContact O-CB 3.32Å; M163-L166 PolarHBondContact O-N 3.23Å; M163-L166 VanDerWaalsContact O-N 3.1Å; L166-E168 VanDerWaalsContact C-N 3.32Å; L166-E168 PolarHBondContact O-N 2.65Å; L166-L169 WeakPolarHBondContact O-CB 3.33Å; L166-L169 PolarHBondContact O-N 2.86Å; L166-L169 VanDerWaalsContact O-N 3.1Å; L166-V170 HydrophobicContact CD1-CG2 4.47Å; L166-V170 WeakPolarHBondContact O-CG2 3.06Å; L166-V170 PolarHBondContact O-N 3.02Å
167	I	87.7	Confident	86.2	Confident	4 Å²	4	67.3 Å²	67.3	2%	0.021	35%	0.345	C	S	.	.	H	α-helix	trans	-51.8	-50.6	171.7	-72.4	170.7	0	0	0	110.6	L131 L134 I135 H138 M163 L169 V170 K171	L131-I167 HydrophobicContact CD1-CB 4.35Å; L131-I167 HydrophobicContact CD1-CG2 3.79Å; L134-I167 HydrophobicContact CB-CD1 4.4Å; L134-I167 HydrophobicContact CB-CG1 3.67Å; I135-I167 HydrophobicContact CG1-CD1 4.2Å; I135-I167 HydrophobicContact CG1-CG1 4.47Å; I135-I167 HydrophobicContact CG1-CG2 4.35Å; H138-I167 HydrophobicContact CB-CD1 3.76Å; M163-I167 WeakPolarHBondContact O-CG1 3.31Å; M163-I167 PolarHBondContact O-N 2.8Å; I167-L169 VanDerWaalsContact C-N 3.32Å; I167-L169 PolarHBondContact O-N 2.98Å; I167-V170 PolarHBondContact O-N 2.98Å; I167-K171 HydrophobicContact CG2-CD 4.34Å; I167-K171 VanDerWaalsContact O-CG 3.31Å; I167-K171 WeakPolarHBondContact O-CG 3.44Å; I167-K171 PolarHBondContact O-N 3.1Å
168	E	85.7	Confident	86.1	Confident	56 Å²	56	69.9 Å²	69.9	26%	0.262	35%	0.347	S	S	.	.	H	α-helix	trans	-64.8	-32.8	179.7	-69.1	-58.8	126	0	0	113.4	Q164 R165 L166 K171 K172	Q164-E168 WeakPolarHBondContact O-CG 3.25Å; Q164-E168 PolarHBondContact O-N 2.97Å; R165-E168 PolarHBondContact O-N 2.92Å; L166-E168 VanDerWaalsContact C-N 3.32Å; L166-E168 PolarHBondContact O-N 2.65Å; E168-K171 IonicContact OE1-NZ 2.64Å; E168-K171 PolarHBondContact OE1-NZ 3.12Å; E168-K172 WeakPolarHBondContact O-CG 3.4Å; E168-K172 PolarHBondContact O-N 2.67Å; E168-K172 VanDerWaalsContact O-N 3.13Å
169	L	89.5	Confident	85.8	Confident	102 Å²	102	74.2 Å²	74.2	53%	0.534	36%	0.357	S	S	.	.	H	α-helix	trans	-69.1	-43	174.5	-72.5	170.1	0	0	0	112	R165 L166 I167 K172 T173	R165-L169 WeakPolarHBondContact O-CG 3.47Å; R165-L169 PolarHBondContact O-N 2.86Å; L166-L169 WeakPolarHBondContact O-CB 3.33Å; L166-L169 PolarHBondContact O-N 2.86Å; L166-L169 VanDerWaalsContact O-N 3.1Å; I167-L169 VanDerWaalsContact C-N 3.32Å; I167-L169 PolarHBondContact O-N 2.98Å; L169-K172 PolarHBondContact O-N 2.84Å; L169-T173 PolarHBondContact O-N 3.13Å; L169-T173 PolarHBondContact O-OG1 3.36Å
170	V	86.8	Confident	85.4	Confident	23 Å²	23	72.8 Å²	72.8	14%	0.139	35%	0.353	C	S	.	.	H	α-helix	trans	-65.6	-41.9	177.2	-179.4	0	0	0	0	110.4	A127 L131 L134 L166 I167 K172 T173 I174	A127-V170 WeakPolarHBondContact O-CG1 3.23Å; L131-V170 HydrophobicContact CB-CG1 3.77Å; L131-V170 HydrophobicContact CD1-CB 4.36Å; L131-V170 HydrophobicContact CD1-CG1 4.48Å; L134-V170 HydrophobicContact CD1-CB 4.42Å; L134-V170 HydrophobicContact CD1-CG2 3.69Å; L166-V170 HydrophobicContact CD1-CG2 4.47Å; L166-V170 WeakPolarHBondContact O-CG2 3.06Å; L166-V170 PolarHBondContact O-N 3.02Å; I167-V170 PolarHBondContact O-N 2.98Å; V170-K172 VanDerWaalsContact C-N 3.34Å; V170-K172 PolarHBondContact O-N 3.07Å; V170-T173 WeakPolarHBondContact O-CA 3.44Å; V170-T173 WeakPolarHBondContact O-CB 3.42Å; V170-T173 PolarHBondContact O-N 2.97Å; V170-I174 HydrophobicContact CG1-CD1 4.36Å; V170-I174 WeakPolarHBondContact O-CG1 3.45Å; V170-I174 PolarHBondContact O-N 3.4Å
171	K	83.8	Confident	85.2	Confident	35 Å²	35	75.2 Å²	75.2	15%	0.152	36%	0.36	C	S	.	.	H	α-helix	trans	-54.1	-47.8	172.2	-72.2	-179.4	-175.4	168	0	112.4	L131 I167 E168 T173 I174 V175 F685	L131-K171 HydrophobicContact CD1-CG 3.83Å; L131-K171 HydrophobicContact CD2-CG 3.63Å; L131-K171 HydrophobicContact CG-CG 4.42Å; I167-K171 HydrophobicContact CG2-CD 4.34Å; I167-K171 VanDerWaalsContact O-CG 3.31Å; I167-K171 WeakPolarHBondContact O-CG 3.44Å; I167-K171 PolarHBondContact O-N 3.1Å; E168-K171 IonicContact OE1-NZ 2.64Å; E168-K171 PolarHBondContact OE1-NZ 3.12Å; K171-T173 VanDerWaalsContact C-N 3.29Å; K171-T173 PolarHBondContact O-N 3.49Å; K171-I174 PolarHBondContact O-N 2.98Å; K171-V175 WeakPolarHBondContact O-CG2 3.33Å; K171-V175 PolarHBondContact O-N 3.21Å; K171-V175 VanDerWaalsContact O-N 3.12Å; K171-F685 HydrophobicContact CB-CD2 4.4Å; K171-F685 HydrophobicContact CB-CE2 4.15Å; K171-F685 HydrophobicContact CD-CD2 4.47Å; K171-F685 HydrophobicContact CG-CD2 3.94Å; K171-F685 HydrophobicContact CG-CE2 4.15Å
172	K	83.6	Confident	84.4	Confident	131 Å²	131	70.1 Å²	70.1	57%	0.57	35%	0.345	S	S	*	.	H	α-helix	trans	-62.4	-38.2	176.9	-73.7	174.1	-178.5	-177.2	0	112	E168 L169 V170 V175 C176	E168-K172 WeakPolarHBondContact O-CG 3.4Å; E168-K172 PolarHBondContact O-N 2.67Å; E168-K172 VanDerWaalsContact O-N 3.13Å; L169-K172 PolarHBondContact O-N 2.84Å; V170-K172 VanDerWaalsContact C-N 3.34Å; V170-K172 PolarHBondContact O-N 3.07Å; K172-V175 PolarHBondContact O-N 3Å; K172-C176 PolarHBondContact O-N 3.32Å; K172-C176 PolarHBondContact O-SG 2.84Å
173	T	88.5	Confident	83.6	Confident	73 Å²	73	64.3 Å²	64.3	45%	0.448	33%	0.333	S	S	.	.	H	α-helix	trans	-61.9	-44.7	177	-56	0	0	0	0	111.3	L169 V170 K171 V175 C176 L177	L169-T173 PolarHBondContact O-N 3.13Å; L169-T173 PolarHBondContact O-OG1 3.36Å; V170-T173 WeakPolarHBondContact O-CA 3.44Å; V170-T173 WeakPolarHBondContact O-CB 3.42Å; V170-T173 PolarHBondContact O-N 2.97Å; K171-T173 VanDerWaalsContact C-N 3.29Å; K171-T173 PolarHBondContact O-N 3.49Å; T173-V175 PolarHBondContact O-N 3.39Å; T173-C176 PolarHBondContact O-N 2.98Å; T173-L177 HydrophobicContact CG2-CD1 4.21Å; T173-L177 WeakPolarHBondContact O-CG 3.34Å; T173-L177 PolarHBondContact O-N 2.81Å
174	I	82.7	Confident	82.6	Confident	1 Å²	1	66.4 Å²	66.4	1%	0.005	35%	0.348	C	S	.	.	H	α-helix	trans	-59	-46.9	175.3	-65.3	165.9	0	0	0	110.8	I124 A127 D128 L131 V170 K171 C176 L177 Q178	I124-I174 HydrophobicContact CG2-CG2 4.43Å; A127-I174 HydrophobicContact CB-CD1 4.32Å; A127-I174 HydrophobicContact CB-CG1 3.56Å; D128-I174 HydrophobicContact CB-CD1 4.34Å; L131-I174 HydrophobicContact CB-CD1 4.15Å; L131-I174 HydrophobicContact CD2-CD1 3.56Å; V170-I174 HydrophobicContact CG1-CD1 4.36Å; V170-I174 WeakPolarHBondContact O-CG1 3.45Å; V170-I174 PolarHBondContact O-N 3.4Å; K171-I174 PolarHBondContact O-N 2.98Å; I174-C176 PolarHBondContact O-N 2.88Å; I174-L177 PolarHBondContact O-N 3.49Å; I174-Q178 WeakPolarHBondContact O-CG 3.41Å; I174-Q178 PolarHBondContact O-N 3.11Å
175	V	79.3	Confident	81.3	Confident	54 Å²	54	68.3 Å²	68.3	33%	0.327	36%	0.36	S	S	.	.	H	α-helix	trans	-59.8	-46	177.5	172.7	0	0	0	0	111	K171 K172 T173 L177 Q178 F179 F685	K171-V175 WeakPolarHBondContact O-CG2 3.33Å; K171-V175 PolarHBondContact O-N 3.21Å; K171-V175 VanDerWaalsContact O-N 3.12Å; K172-V175 PolarHBondContact O-N 3Å; T173-V175 PolarHBondContact O-N 3.39Å; V175-L177 PolarHBondContact O-N 2.79Å; V175-Q178 PolarHBondContact O-N 2.95Å; V175-F179 HydrophobicContact CG1-CD2 3.76Å; V175-F179 HydrophobicContact CG1-CE2 3.86Å; V175-F179 WeakPolarHBondContact O-CD2 3.33Å; V175-F179 PolarHBondContact O-N 3.02Å; V175-F685 HydrophobicContact CG2-CZ 4.05Å
176	C	84.4	Confident	79.5	Confident	85 Å²	85	64.7 Å²	64.7	57%	0.574	37%	0.365	S	S	*	.	H	α-helix	trans	-60.8	-42.2	176.4	-69.5	0	0	0	0	112.4	K172 T173 I174 F179 A180	K172-C176 PolarHBondContact O-N 3.32Å; K172-C176 PolarHBondContact O-SG 2.84Å; T173-C176 PolarHBondContact O-N 2.98Å; I174-C176 PolarHBondContact O-N 2.88Å; C176-F179 PolarHBondContact O-N 2.97Å; C176-A180 WeakPolarHBondContact O-CB 3.22Å; C176-A180 PolarHBondContact O-N 2.93Å
177	L	83.8	Confident	77.3	Confident	37 Å²	37	65.5 Å²	65.5	19%	0.194	38%	0.378	C	S	.	.	H	α-helix	trans	-62.7	-42	176.2	-73.3	168	0	0	0	111.7	F120 R123 I124 A127 T173 I174 V175 A180 R181	F120-L177 HydrophobicContact CD1-CD2 4.31Å; R123-L177 HydrophobicContact CB-CD1 4.15Å; R123-L177 HydrophobicContact CB-CD2 4.17Å; I124-L177 HydrophobicContact CD1-CB 4.33Å; I124-L177 HydrophobicContact CG1-CB 3.59Å; I124-L177 HydrophobicContact CG1-CD1 4.4Å; A127-L177 HydrophobicContact CB-CD1 4.21Å; T173-L177 HydrophobicContact CG2-CD1 4.21Å; T173-L177 WeakPolarHBondContact O-CG 3.34Å; T173-L177 PolarHBondContact O-N 2.81Å; I174-L177 PolarHBondContact O-N 3.49Å; V175-L177 PolarHBondContact O-N 2.79Å; L177-A180 PolarHBondContact O-N 2.92Å; L177-R181 VanDerWaalsContact O-CB 3.3Å; L177-R181 WeakPolarHBondContact O-CB 3.46Å; L177-R181 PolarHBondContact O-N 3.24Å
178	Q	80.4	Confident	74.9	Confident	92 Å²	92	73 Å²	73	43%	0.43	41%	0.407	S	S	.	.	H	α-helix	trans	-64.4	-41.6	175.9	-73	178.6	-2.7	0	0	112.3	I124 I174 V175 G182	I124-Q178 HydrophobicContact CD1-CG 3.82Å; I124-Q178 HydrophobicContact CG1-CG 4.24Å; I124-Q178 HydrophobicContact CG2-CG 4.42Å; I174-Q178 WeakPolarHBondContact O-CG 3.41Å; I174-Q178 PolarHBondContact O-N 3.11Å; V175-Q178 PolarHBondContact O-N 2.95Å; Q178-G182 PolarHBondContact O-N 3.45Å
179	F	77.3	Confident	72.2	Confident	136 Å²	136	81.9 Å²	81.9	60%	0.596	44%	0.438	S	S	*	.	H	α-helix	trans	-63.3	-44.4	174.5	-95.3	-77.3	0	0	0	112.3	V175 C176 G182 S183	V175-F179 HydrophobicContact CG1-CD2 3.76Å; V175-F179 HydrophobicContact CG1-CE2 3.86Å; V175-F179 WeakPolarHBondContact O-CD2 3.33Å; V175-F179 PolarHBondContact O-N 3.02Å; C176-F179 PolarHBondContact O-N 2.97Å; F179-G182 PolarHBondContact O-N 3.4Å; F179-S183 PolarHBondContact O-N 3.3Å; F179-S183 VanDerWaalsContact O-N 3.07Å; F179-S183 PolarHBondContact O-OG 3.47Å
180	A	79	Confident	69.2	Low	38 Å²	38	83.3 Å²	83.3	31%	0.314	45%	0.445	S	S	.	.	H	α-helix	trans	-63.3	-45.4	177.4	0	0	0	0	0	111.3	F120 C176 L177 G182 S183 V184	F120-A180 HydrophobicContact CD1-CB 4.22Å; F120-A180 HydrophobicContact CE1-CB 3.4Å; F120-A180 VanDerWaalsContact CE1-CB 3.4Å; F120-A180 HydrophobicContact CZ-CB 3.85Å; C176-A180 WeakPolarHBondContact O-CB 3.22Å; C176-A180 PolarHBondContact O-N 2.93Å; L177-A180 PolarHBondContact O-N 2.92Å; A180-G182 VanDerWaalsContact C-N 3.34Å; A180-G182 PolarHBondContact O-N 2.91Å; A180-S183 WeakPolarHBondContact O-CB 3.23Å; A180-S183 PolarHBondContact O-N 2.82Å; A180-S183 VanDerWaalsContact O-N 3.1Å; A180-V184 PolarHBondContact O-N 3.22Å
181	R	81.3	Confident	66.3	Low	71 Å²	71	87.4 Å²	87.4	27%	0.268	47%	0.472	S	S	.	.	H	α-helix	trans	-53.6	-48.1	172.4	-174.2	-168.3	179.3	-88.9	1.2	112.4	L117 F120 D121 I124 L177 S183 V184 N185	L117-R181 HydrophobicContact CD1-CG 3.55Å; F120-R181 HydrophobicContact CB-CB 3.77Å; F120-R181 HydrophobicContact CB-CG 3.79Å; F120-R181 HydrophobicContact CD1-CB 4.2Å; F120-R181 HydrophobicContact CD2-CB 4.49Å; F120-R181 HydrophobicContact CG-CB 3.91Å; F120-R181 HydrophobicContact CG-CG 4.32Å; D121-R181 WeakPolarHBondContact OD1-CD 3.13Å; D121-R181 IonicContact OD1-CZ 3.48Å; D121-R181 VanDerWaalsContact OD1-CZ 3.3Å; D121-R181 IonicContact OD1-NE 3.76Å; D121-R181 PolarHBondContact OD1-NE 2.8Å; D121-R181 IonicContact OD1-NH2 3.17Å; D121-R181 PolarHBondContact OD1-NH2 2.93Å; D121-R181 IonicContact OD2-CZ 3.66Å; D121-R181 IonicContact OD2-NE 3.97Å; D121-R181 IonicContact OD2-NH2 2.64Å; D121-R181 PolarHBondContact OD2-NH2 3Å; D121-R181 VanDerWaalsContact OD2-NH2 3.14Å; I124-R181 HydrophobicContact CD1-CB 4.37Å; L177-R181 VanDerWaalsContact O-CB 3.3Å; L177-R181 WeakPolarHBondContact O-CB 3.46Å; L177-R181 PolarHBondContact O-N 3.24Å; R181-S183 PolarHBondContact O-N 2.87Å; R181-V184 PolarHBondContact O-N 2.66Å; R181-N185 PolarHBondContact O-N 3.23Å
182	G	71	Confident	63.5	Low	27 Å²	27	92.2 Å²	92.2	28%	0.278	50%	0.498	S	S	.	.	H	α-helix	trans	-64.4	-29	179.2	0	0	0	0	0	113.6	Q178 F179 A180 N185	Q178-G182 PolarHBondContact O-N 3.45Å; F179-G182 PolarHBondContact O-N 3.4Å; A180-G182 VanDerWaalsContact C-N 3.34Å; A180-G182 PolarHBondContact O-N 2.91Å; G182-N185 PolarHBondContact O-N 3.38Å
183	S	72.5	Confident	60.6	Low	67 Å²	67	91.9 Å²	91.9	47%	0.469	51%	0.507	S	S	.	.	H	α-helix	trans	-71.2	-34.9	176.3	-55.3	0	0	0	0	111.9	F179 A180 R181	F179-S183 PolarHBondContact O-N 3.3Å; F179-S183 VanDerWaalsContact O-N 3.07Å; F179-S183 PolarHBondContact O-OG 3.47Å; A180-S183 WeakPolarHBondContact O-CB 3.23Å; A180-S183 PolarHBondContact O-N 2.82Å; A180-S183 VanDerWaalsContact O-N 3.1Å; R181-S183 PolarHBondContact O-N 2.87Å
184	V	68.1	Low	57.6	Low	82 Å²	82	94.7 Å²	94.7	50%	0.497	52%	0.519	S	S	.	.	H	α-helix	trans	-71.4	-33.7	174.2	179.6	0	0	0	0	111.8	F120 A180 R181 G186	F120-V184 HydrophobicContact CE2-CG2 3.78Å; F120-V184 HydrophobicContact CZ-CG2 4.41Å; A180-V184 PolarHBondContact O-N 3.22Å; R181-V184 PolarHBondContact O-N 2.66Å; V184-G186 PolarHBondContact O-N 2.98Å; V184-G186 VanDerWaalsContact O-N 3.12Å
185	N	61.5	Low	54.8	Low	105 Å²	105	101.3 Å²	101.3	56%	0.561	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.6	6.2	-176.5	-154.1	36	0	0	0	115	L117 R181 G182	L117-N185 HydrophobicContact CD1-CB 4.42Å; R181-N185 PolarHBondContact O-N 3.23Å; G182-N185 PolarHBondContact O-N 3.38Å
186	G	51.5	Low	52.3	Low	60 Å²	60	105.6 Å²	105.6	62%	0.619	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	101.2	5.1	163.9	0	0	0	0	0	118.4	V184	V184-G186 PolarHBondContact O-N 2.98Å; V184-G186 VanDerWaalsContact O-N 3.12Å
187	S	45.4	Very low	49.4	Very low	97 Å²	97	107.7 Å²	107.7	68%	0.678	58%	0.581	S	S	*	*			trans	-92.2	-1.9	-174.2	-59.9	0	0	0	0	116.4
188	Y	37.1	Very low	46.6	Very low	161 Å²	161	111.9 Å²	111.9	63%	0.631	61%	0.608	S	S	*	*			trans	-130.4	69.3	179.8	-69.3	-83	0	0	0	112.1	I190	Y188-I190 VanDerWaalsContact C-N 3.29Å; Y188-I190 PolarHBondContact O-N 3.46Å; Y188-I190 VanDerWaalsContact O-N 3.08Å
189	R	29	Very low	44.1	Very low	242 Å²	242	113.5 Å²	113.5	91%	0.913	62%	0.624	S	S	*	*			trans	-73.2	90.5	155.4	-87.9	-173.2	175.8	-177.3	-0.2	107.9	P191	R189-P191 WeakPolarHBondContact O-CD 3.45Å
190	I	27.1	Very low	41.4	Very low	132 Å²	132	111.3 Å²	111.3	68%	0.677	63%	0.625	S	S	*	*			trans	-71.4	119.3	158.4	-59.4	176.8	0	0	0	105.6	Y188 I192	Y188-I190 VanDerWaalsContact C-N 3.29Å; Y188-I190 PolarHBondContact O-N 3.46Å; Y188-I190 VanDerWaalsContact O-N 3.08Å; I190-I192 PolarHBondContact O-N 2.93Å
191	P	24.9	Very low	39	Very low	109 Å²	109	117.4 Å²	117.4	71%	0.708	65%	0.653	S	S	*	*			trans	-70	100.3	173.8	2.8	11.8	0	0	0	107.2	R189 T193	R189-P191 WeakPolarHBondContact O-CD 3.45Å; P191-T193 VanDerWaalsContact C-N 3.33Å; P191-T193 PolarHBondContact O-N 3.21Å; P191-T193 VanDerWaalsContact O-N 3.07Å
192	I	25.7	Very low	36.3	Very low	136 Å²	136	119.9 Å²	119.9	70%	0.697	68%	0.676	S	S	*	*			trans	-74.2	97.1	166	-55.3	176.2	0	0	0	105.1	I190 L194	I190-I192 PolarHBondContact O-N 2.93Å; I192-L194 HydrophobicContact CG2-CD1 4.22Å; I192-L194 HydrophobicContact CG2-CG 3.98Å; I192-L194 PolarHBondContact O-N 3.29Å
193	T	23.1	Very low	34.2	Very low	125 Å²	125	125 Å²	125	77%	0.767	70%	0.701	S	S	*	*			trans	-69.1	84.1	168.3	52.3	0	0	0	0	107.9	P191 N195	P191-T193 VanDerWaalsContact C-N 3.33Å; P191-T193 PolarHBondContact O-N 3.21Å; P191-T193 VanDerWaalsContact O-N 3.07Å; T193-N195 PolarHBondContact O-N 3.35Å
194	L	24.7	Very low	31.8	Very low	132 Å²	132	128.9 Å²	128.9	69%	0.691	72%	0.717	S	S	*	*			trans	-73.2	112	164.4	-85.8	155.6	0	0	0	107.1	I192 D196	I192-L194 HydrophobicContact CG2-CD1 4.22Å; I192-L194 HydrophobicContact CG2-CG 3.98Å; I192-L194 PolarHBondContact O-N 3.29Å; L194-D196 PolarHBondContact O-N 3.16Å
195	N	23.2	Very low	29.7	Very low	139 Å²	139	132.3 Å²	132.3	74%	0.743	73%	0.731	S	S	*	*			trans	-81.1	63.7	-174.2	-150.4	52.5	0	0	0	109	T193 N197	T193-N195 PolarHBondContact O-N 3.35Å; N195-N197 PolarHBondContact O-N 3.34Å; N195-N197 VanDerWaalsContact O-N 3.1Å
196	D	27	Very low	27.8	Very low	145 Å²	145	132.5 Å²	132.5	78%	0.775	74%	0.738	S	S	*	*			trans	-84.8	87.6	178.9	-76.8	-23.4	0	0	0	109.7	L194	L194-D196 PolarHBondContact O-N 3.16Å
197	N	23.6	Very low	26.5	Very low	129 Å²	129	138.1 Å²	138.1	69%	0.69	75%	0.747	S	S	*	*			trans	-62.1	129.4	159.3	-86.6	-26.7	0	0	0	109.9	N195	N195-N197 PolarHBondContact O-N 3.34Å; N195-N197 VanDerWaalsContact O-N 3.1Å
198	T	25.9	Very low	25.4	Very low	125 Å²	125	139 Å²	139	77%	0.767	75%	0.749	S	S	*	*			trans	96.9	128	144.3	72.4	0	0	0	0	119.5
199	V	26.5	Very low	24.7	Very low	125 Å²	125	139 Å²	139	76%	0.758	76%	0.759	S	S	*	*			trans	91.7	90.3	150.7	-160.7	0	0	0	0	117.6
200	S	22.4	Very low	24.3	Very low	90 Å²	90	136.4 Å²	136.4	63%	0.629	76%	0.757	S	S	*	*			trans	21.8	121.2	134.8	60.2	0	0	0	0	119.5
201	D	28.5	Very low	24.1	Very low	167 Å²	167	138.9 Å²	138.9	89%	0.893	76%	0.763	S	S	*	*				-151.2	141.6	119.3	-95.8	-29.8	0	0	0	111
202	V	22.8	Very low	23.9	Very low	123 Å²	123	141 Å²	141	75%	0.745	77%	0.769	S	S	*	*			trans	-89.6	120.2	-168	172.2	0	0	0	0	109.4
203	V	27.4	Very low	23.7	Very low	134 Å²	134	141.4 Å²	141.4	81%	0.812	78%	0.778	S	S	*	*			trans	-141.4	110.5	156.3	-175.9	0	0	0	0	109
204	D	21.8	Very low	23.7	Very low	149 Å²	149	139.7 Å²	139.7	80%	0.797	77%	0.771	S	S	*	*			trans	-67.3	123.5	173.4	-79.9	-48.5	0	0	0	111.9
205	I	24.7	Very low	23.5	Very low	154 Å²	154	145.1 Å²	145.1	79%	0.79	78%	0.782	S	S	*	*			trans	-141	134	153.7	-60.2	-175.7	0	0	0	108.6
206	P	22.1	Very low	23.7	Very low	109 Å²	109	144 Å²	144	71%	0.708	79%	0.785	S	S	*	*			trans	-93.3	150.7	-154.7	36.1	-33.4	0	0	0	115.3
207	H	23	Very low	23.4	Very low	178 Å²	178	145.5 Å²	145.5	82%	0.824	79%	0.793	S	S	*	*			trans	-0.4	134.9	152.5	-55.9	-78.1	0	0	0	120.1
208	T	23	Very low	23.6	Very low	116 Å²	116	144.5 Å²	144.5	71%	0.712	80%	0.797	S	S	*	*				131.3	86.5	121.4	-42	0	0	0	0	112.9
209	L	21.5	Very low	23.5	Very low	159 Å²	159	143.1 Å²	143.1	83%	0.832	80%	0.798	S	S	*	*			trans	-144.5	98.8	145.5	-77.2	-176.3	0	0	0	108.4	F211	L209-F211 PolarHBondContact O-N 3.11Å
210	Q	20.9	Very low	23.2	Very low	189 Å²	189	147.7 Å²	147.7	88%	0.883	80%	0.803	S	S	*	*			trans	-71.1	117.9	169.1	-75.5	172.7	-57.8	0	0	108.6
211	F	23.1	Very low	23.2	Very low	183 Å²	183	148.6 Å²	148.6	80%	0.803	81%	0.809	S	S	*	*			trans	-108.6	123.5	158.9	-88.4	-81.8	0	0	0	109.2	L209 T213	L209-F211 PolarHBondContact O-N 3.11Å; F211-T213 PolarHBondContact O-N 3.11Å
212	D	21.1	Very low	22.9	Very low	155 Å²	155	146.3 Å²	146.3	83%	0.829	80%	0.801	S	S	*	*			trans	-61	125.8	-174.6	-121.4	-30.5	0	0	0	111.7
213	T	20.6	Very low	22.8	Very low	144 Å²	144	148 Å²	148	88%	0.883	81%	0.806	S	S	*	*			trans	-100.4	84.6	174.2	31.6	0	0	0	0	108.6	F211	F211-T213 PolarHBondContact O-N 3.11Å
214	S	23.1	Very low	22.5	Very low	89 Å²	89	150.9 Å²	150.9	62%	0.622	81%	0.807	S	S	*	*			trans	-137.8	107.9	169.8	67.3	0	0	0	0	113.2
215	R	22.4	Very low	22.5	Very low	245 Å²	245	149.8 Å²	149.8	93%	0.925	81%	0.805	S	S	*	*			trans	62	110.8	140.9	-65.2	175.5	171.3	-178.8	-2.5	118.6
216	S	26.2	Very low	22.4	Very low	117 Å²	117	151 Å²	151	82%	0.818	81%	0.805	S	S	*	*				-171.2	124	107.2	57.1	0	0	0	0	111.9	S218	S216-S218 PolarHBondContact O-N 3.02Å
217	N	22	Very low	22.4	Very low	176 Å²	176	153.1 Å²	153.1	94%	0.941	81%	0.81	S	S	*	*			trans	-59.4	113	169.8	-72.6	-34.9	0	0	0	110.8
218	S	26.3	Very low	22.3	Very low	108 Å²	108	154.7 Å²	154.7	76%	0.755	81%	0.811	S	S	*	*			trans	-102.2	133.7	163.3	174.6	0	0	0	0	109.6	S216	S216-S218 PolarHBondContact O-N 3.02Å
219	A	24.4	Very low	22.3	Very low	96 Å²	96	156.2 Å²	156.2	79%	0.793	81%	0.814	S	S	*	*			trans	-58.7	127	-166.7	0	0	0	0	0	114.3	S221	A219-S221 PolarHBondContact O-N 3.39Å
220	Y	21.1	Very low	22.3	Very low	221 Å²	221	156.6 Å²	156.6	87%	0.867	82%	0.816	S	S	*	*			trans	-72.5	108.4	166.1	-71.1	-91.9	0	0	0	109.8
221	S	20.9	Very low	22.4	Very low	108 Å²	108	156 Å²	156	76%	0.755	81%	0.811	S	S	*	*			trans	-94.1	90.6	160.3	78.1	0	0	0	0	108.9	A219 L223	A219-S221 PolarHBondContact O-N 3.39Å; S221-L223 PolarHBondContact O-N 3.2Å
222	T	22.2	Very low	22.3	Very low	120 Å²	120	153.5 Å²	153.5	74%	0.736	81%	0.81	S	S	*	*			trans	-63.4	103.1	170.2	-47.3	0	0	0	0	108.6	K224	T222-K224 PolarHBondContact O-N 2.88Å
223	L	20.6	Very low	22.4	Very low	159 Å²	159	153.7 Å²	153.7	83%	0.832	81%	0.806	S	S	*	*			trans	-62.8	102.8	170.3	-75.8	166	0	0	0	108.1	S221 V225	S221-L223 PolarHBondContact O-N 3.2Å; L223-V225 PolarHBondContact O-N 2.96Å; L223-V225 VanDerWaalsContact O-N 3.09Å
224	K	22	Very low	22.5	Very low	194 Å²	194	152 Å²	152	84%	0.843	80%	0.799	S	S	*	*			trans	-63.3	109.3	172.1	-76.7	-174.1	175.7	-178.2	0	108.7	T222 K226	T222-K224 PolarHBondContact O-N 2.88Å; K224-K226 PolarHBondContact O-N 3.21Å; K224-K226 VanDerWaalsContact O-N 3.16Å
225	V	21.8	Very low	22.6	Very low	125 Å²	125	154.7 Å²	154.7	76%	0.758	81%	0.805	S	S	*	*			trans	-56.6	114	162.9	178.6	0	0	0	0	106.8	L223 D227	L223-V225 PolarHBondContact O-N 2.96Å; L223-V225 VanDerWaalsContact O-N 3.09Å; V225-D227 PolarHBondContact O-N 3.08Å
226	K	22.3	Very low	22.6	Very low	180 Å²	180	149.7 Å²	149.7	78%	0.783	80%	0.797	S	S	*	*			trans	-74.6	109.9	171.7	-81.3	-178.4	175.2	178.3	0	107.4	K224 Y228	K224-K226 PolarHBondContact O-N 3.21Å; K224-K226 VanDerWaalsContact O-N 3.16Å; K226-Y228 PolarHBondContact O-N 2.96Å; K226-Y228 VanDerWaalsContact O-N 3.08Å
227	D	23	Very low	22.5	Very low	154 Å²	154	152.3 Å²	152.3	82%	0.824	80%	0.796	S	S	*	*			trans	-55.6	109.3	168.6	-68.3	-46.3	0	0	0	109.3	V225 D229	V225-D227 PolarHBondContact O-N 3.08Å; D227-D229 PolarHBondContact O-N 2.85Å
228	Y	20.7	Very low	22.7	Very low	211 Å²	211	149.5 Å²	149.5	83%	0.827	79%	0.786	S	S	*	*			trans	-84.8	100.4	166.9	-97	-91.8	0	0	0	108	K226 L230	K226-Y228 PolarHBondContact O-N 2.96Å; K226-Y228 VanDerWaalsContact O-N 3.08Å; Y228-L230 PolarHBondContact O-N 3.49Å
229	D	21.7	Very low	22.5	Very low	148 Å²	148	153.1 Å²	153.1	79%	0.791	79%	0.788	S	S	*	*			trans	-63	110.7	168.5	-118.8	-20.9	0	0	0	109.2	D227 K231	D227-D229 PolarHBondContact O-N 2.85Å; D229-K231 VanDerWaalsContact C-N 3.29Å; D229-K231 PolarHBondContact O-N 3.38Å
230	L	22.2	Very low	22.5	Very low	167 Å²	167	155.7 Å²	155.7	87%	0.874	79%	0.787	S	S	*	*			trans	-66.1	85.2	172.6	-86.9	144.4	0	0	0	109.3	Y228 V232	Y228-L230 PolarHBondContact O-N 3.49Å; L230-V232 PolarHBondContact O-N 3.16Å
231	K	22.4	Very low	22.7	Very low	177 Å²	177	152.4 Å²	152.4	77%	0.77	78%	0.784	S	S	*	*			trans	-69	99.2	166.7	-76.6	-173	177.8	178.1	0	109.1	D229 H233	D229-K231 VanDerWaalsContact C-N 3.29Å; D229-K231 PolarHBondContact O-N 3.38Å; K231-H233 PolarHBondContact O-N 2.95Å
232	V	22.3	Very low	22.9	Very low	129 Å²	129	151.6 Å²	151.6	78%	0.782	78%	0.784	S	S	*	*			trans	-57.2	100.7	165.8	178.8	0	0	0	0	108	L230 S234	L230-V232 PolarHBondContact O-N 3.16Å; V232-S234 PolarHBondContact O-N 3.5Å
233	H	23.4	Very low	23.1	Very low	159 Å²	159	155.2 Å²	155.2	74%	0.736	79%	0.793	S	S	*	*			trans	-74.6	101.6	166.2	-85.1	-12	0	0	0	108.3	K231 I235	K231-H233 PolarHBondContact O-N 2.95Å; H233-I235 PolarHBondContact O-N 2.85Å
234	S	21.9	Very low	23.4	Very low	108 Å²	108	151 Å²	151	76%	0.755	79%	0.788	S	S	*	*			trans	-61.1	100.3	162.3	-70.1	0	0	0	0	108.6	V232 N236	V232-S234 PolarHBondContact O-N 3.5Å; S234-N236 PolarHBondContact O-N 3.49Å
235	I	24	Very low	23.6	Very low	146 Å²	146	145.6 Å²	145.6	75%	0.749	79%	0.788	S	S	*	*			trans	-79.3	110	171.8	-63.1	172.3	0	0	0	106.8	H233 H237	H233-I235 PolarHBondContact O-N 2.85Å; I235-H237 PolarHBondContact O-N 3.37Å
236	N	23.8	Very low	23.9	Very low	140 Å²	140	148.8 Å²	148.8	75%	0.749	79%	0.794	S	S	*	*			trans	-64.3	115.5	172.5	-81.9	-32.4	0	0	0	109.5	S234 T238	S234-N236 PolarHBondContact O-N 3.49Å; N236-T238 PolarHBondContact O-N 3.24Å; N236-T238 PolarHBondContact O-OG1 2.94Å
237	H	24.4	Very low	24.1	Very low	172 Å²	172	143.7 Å²	143.7	80%	0.796	79%	0.793	S	S	*	*			trans	-54.6	101.5	167.4	-79.4	-90.2	0	0	0	109.9	I235	I235-H237 PolarHBondContact O-N 3.37Å
238	T	25.1	Very low	24.3	Very low	118 Å²	118	144.1 Å²	144.1	72%	0.724	80%	0.795	S	S	*	*			trans	-97.2	100.6	167.2	-41.1	0	0	0	0	106.4	N236 I240	N236-T238 PolarHBondContact O-N 3.24Å; N236-T238 PolarHBondContact O-OG1 2.94Å; T238-I240 PolarHBondContact O-N 3.44Å
239	F	22.2	Very low	24.5	Very low	183 Å²	183	137.8 Å²	137.8	80%	0.803	79%	0.794	S	S	*	*			trans	-58	103.9	171.3	-84.2	-100.8	0	0	0	109.1
240	I	25.4	Very low	24.7	Very low	150 Å²	150	139.9 Å²	139.9	77%	0.769	80%	0.799	S	S	*	*			trans	-98.4	107.3	164	-64.6	179	0	0	0	106.5	T238 A242	T238-I240 PolarHBondContact O-N 3.44Å; I240-A242 PolarHBondContact O-N 3.48Å
241	N	24.1	Very low	25	Very low	152 Å²	152	139 Å²	139	81%	0.813	80%	0.795	S	S	*	*			trans	-59.1	97	167.6	-79.8	-26.9	0	0	0	109.1
242	A	26.3	Very low	25.2	Very low	92 Å²	92	135.7 Å²	135.7	76%	0.76	79%	0.792	S	S	*	*			trans	-90	109.4	160.8	0	0	0	0	0	107.4	I240 G244	I240-A242 PolarHBondContact O-N 3.48Å; A242-G244 PolarHBondContact O-N 2.92Å
243	Q	26.6	Very low	25.3	Very low	195 Å²	195	139.2 Å²	139.2	91%	0.911	80%	0.797	S	S	*	*			trans	-59.7	111.9	173.1	-70.7	171.3	-39.3	0	0	108.7	G245	Q243-G245 PolarHBondContact O-N 2.97Å
244	G	26.1	Very low	25.5	Very low	71 Å²	71	136.7 Å²	136.7	73%	0.732	80%	0.803	S	S	*	*			trans	-70.1	115.4	169.1	0	0	0	0	0	109.4	A242 E246	A242-G244 PolarHBondContact O-N 2.92Å; G244-E246 PolarHBondContact O-N 2.94Å
245	G	25.1	Very low	25.5	Very low	81 Å²	81	136.7 Å²	136.7	84%	0.835	80%	0.803	S	S	*	*			trans	-78.4	101.8	158.9	0	0	0	0	0	107.8	Q243 G247	Q243-G245 PolarHBondContact O-N 2.97Å; G245-G247 PolarHBondContact O-N 2.85Å
246	E	28.1	Very low	25.5	Very low	192 Å²	192	135.7 Å²	135.7	90%	0.897	81%	0.808	S	S	*	*			trans	-68.1	115.3	168.1	-74.8	173.2	146	0	0	108.3	G244	G244-E246 PolarHBondContact O-N 2.94Å
247	G	26.6	Very low	25.4	Very low	73 Å²	73	138.3 Å²	138.3	75%	0.753	82%	0.815	S	S	*	*			trans	-103.4	122.7	168.6	0	0	0	0	0	108.8	G245	G245-G247 PolarHBondContact O-N 2.85Å
248	D	27.3	Very low	25.5	Very low	163 Å²	163	139.2 Å²	139.2	87%	0.872	82%	0.82	S	S	*	*			trans	-55.9	125	-167.8	-60.5	-64.5	0	0	0	114.9
249	G	26.5	Very low	25.3	Very low	77 Å²	77	138.3 Å²	138.3	79%	0.794	82%	0.819	S	S	*	*			trans	-109.6	108	165.4	0	0	0	0	0	109.7	N251	G249-N251 PolarHBondContact O-N 2.87Å
250	E	26	Very low	25.4	Very low	193 Å²	193	137.2 Å²	137.2	90%	0.902	82%	0.82	S	S	*	*			trans	-60	126.7	-179.4	-64	178.4	147.5	0	0	112.1
251	N	28.5	Very low	25.3	Very low	147 Å²	147	135.2 Å²	135.2	79%	0.786	82%	0.819	S	S	*	*			trans	-108.8	112	171.4	-169.1	3.5	0	0	0	109.4	G249 F253	G249-N251 PolarHBondContact O-N 2.87Å; N251-F253 PolarHBondContact O-N 2.93Å
252	P	24.5	Very low	25.3	Very low	109 Å²	109	133.6 Å²	133.6	71%	0.708	82%	0.82	S	S	*	*			trans	-93.1	75.5	-172.5	35.3	-32.7	0	0	0	111.6
253	F	25.5	Very low	25.3	Very low	203 Å²	203	134 Å²	134	89%	0.89	82%	0.824	S	S	*	*			trans	-160	87	161.1	-94.6	-76.7	0	0	0	109.7	N251	N251-F253 PolarHBondContact O-N 2.93Å
254	A	26.8	Very low	25.1	Very low	106 Å²	106	130.4 Å²	130.4	88%	0.876	82%	0.82	S	S	*	*			trans	-141.9	98.2	165.6	0	0	0	0	0	109.1
255	S	23	Very low	25.1	Very low	108 Å²	108	132.4 Å²	132.4	76%	0.755	82%	0.82	S	S	*	*			trans	-90.4	155.9	166.2	61	0	0	0	0	110.3
256	C	24	Very low	25.1	Very low	124 Å²	124	135.2 Å²	135.2	84%	0.838	82%	0.815	S	S	*	*			trans	90.8	90.6	169.1	-56.6	0	0	0	0	115.5
257	Q	21.6	Very low	24.9	Very low	195 Å²	195	134.1 Å²	134.1	91%	0.911	81%	0.813	S	S	*	*			trans	-52.8	132	148.8	-69.7	167	-67.8	0	0	110
258	E	26	Very low	24.8	Very low	192 Å²	192	136.7 Å²	136.7	90%	0.897	81%	0.814	S	S	*	*			trans	-154.1	125.7	136.1	-114.5	175.5	-160.6	0	0	110.2
259	S	21.4	Very low	24.6	Very low	99 Å²	99	137.5 Å²	137.5	69%	0.692	81%	0.813	S	S	*	*			trans	-68.5	142.9	176.9	42.3	0	0	0	0	112.5
260	L	23.8	Very low	24.5	Very low	160 Å²	160	143.4 Å²	143.4	84%	0.838	82%	0.817	S	S	*	*				170	136.5	119.2	-89.1	158.8	0	0	0	114.1
261	S	24.2	Very low	24.6	Very low	107 Å²	107	139.8 Å²	139.8	75%	0.748	81%	0.81	S	S	*	*			trans	71.4	109.4	146.7	71.1	0	0	0	0	121.3
262	S	22.9	Very low	24.3	Very low	118 Å²	118	137.7 Å²	137.7	83%	0.825	81%	0.807	S	S	*	*			trans	-49.1	137.7	151.4	52.5	0	0	0	0	115.6
263	A	25.8	Very low	24.4	Very low	102 Å²	102	144.1 Å²	144.1	84%	0.843	82%	0.817	S	S	*	*			trans	-160.4	100.9	142.9	0	0	0	0	0	110.5
264	S	22.5	Very low	24.3	Very low	119 Å²	119	144 Å²	144	83%	0.832	82%	0.816	S	S	*	*			trans	-94.8	163.8	148.8	-60.3	0	0	0	0	106.8
265	P	27.6	Very low	24.4	Very low	112 Å²	112	147.6 Å²	147.6	73%	0.727	81%	0.814	S	S	*	*			cis	-143	-177.4	21.4	32.6	-8.1	0	0	0	114.2
266	I	25.4	Very low	24.4	Very low	141 Å²	141	147.1 Å²	147.1	72%	0.723	81%	0.811	S	S	*	*				165.8	118.1	121.9	-81	157.8	0	0	0	109.4	T268	I266-T268 HydrophobicContact CG2-CG2 4.19Å
267	I	22	Very low	24.7	Very low	168 Å²	168	147.3 Å²	147.3	86%	0.862	81%	0.808	S	S	*	*			trans	-83.9	126.9	164.5	-71.8	169.6	0	0	0	107.6
268	T	25.5	Very low	24.8	Very low	127 Å²	127	147.9 Å²	147.9	78%	0.779	80%	0.802	S	S	*	*			trans	-130.2	147.1	162.1	31.5	0	0	0	0	112	I266	I266-T268 HydrophobicContact CG2-CG2 4.19Å
269	Q	23.1	Very low	24.7	Very low	181 Å²	181	145 Å²	145	85%	0.846	79%	0.793	S	S	*	*			trans	-74.1	153.9	-160.3	-67.7	161	-5.8	0	0	115.2
270	K	24.4	Very low	25.1	Very low	201 Å²	201	144.8 Å²	144.8	87%	0.874	79%	0.792	S	S	*	*			trans	6.4	142.4	136	-87.8	178.3	179.8	173.8	0	116.3
271	P	27.4	Very low	25.2	Very low	116 Å²	116	148.1 Å²	148.1	75%	0.753	79%	0.793	S	S	*	*				-156.3	152.9	73.5	41.4	-20.9	0	0	0	118.9
272	S	22.7	Very low	25.2	Very low	104 Å²	104	152.6 Å²	152.6	73%	0.727	79%	0.794	S	S	*	*			trans	23.7	128.5	141.7	59.4	0	0	0	0	121.9
273	R	26.9	Very low	25.4	Very low	243 Å²	243	155 Å²	155	92%	0.917	80%	0.796	S	S	*	*			trans	-145.1	111.7	132.8	-111.4	175.6	-178.4	175.7	0.4	111.1
274	K	22.7	Very low	25.3	Very low	200 Å²	200	154.8 Å²	154.8	87%	0.87	78%	0.778	S	S	*	*			trans	-80.2	134.5	162.5	-73	177.4	173.6	177.7	0	107.6
275	H	29.9	Very low	25.4	Very low	182 Å²	182	157.5 Å²	157.5	84%	0.843	78%	0.775	S	S	*	*			trans	-125.4	119.7	153.2	-104.8	-68.2	0	0	0	111
276	S	23.2	Very low	25.3	Very low	98 Å²	98	155.4 Å²	155.4	69%	0.685	77%	0.773	S	S	*	*			trans	-44	145.2	163	172.9	0	0	0	0	114.4
277	T	29.9	Very low	25.3	Very low	128 Å²	128	158.2 Å²	158.2	79%	0.785	78%	0.78	S	S	*	*			trans	161.8	148.9	130.3	37.3	0	0	0	0	107.7
278	R	23.6	Very low	25.4	Very low	207 Å²	207	155.9 Å²	155.9	78%	0.781	77%	0.769	S	S	*	*			cis	177.7	134.6	-10.3	169.9	174.5	-175	170.2	1.2	104.8
279	N	24.5	Very low	25.5	Very low	133 Å²	133	156.5 Å²	156.5	71%	0.711	76%	0.763	S	S	*	*			trans	55	135.3	154.6	-57.9	-13.7	0	0	0	118
280	S	28.5	Very low	25.7	Very low	94 Å²	94	156.1 Å²	156.1	66%	0.657	76%	0.758	S	S	*	*				-179.6	137.5	58.7	-153	0	0	0	0	110.5
281	R	27.4	Very low	25.7	Very low	229 Å²	229	157.8 Å²	157.8	86%	0.864	76%	0.759	S	S	*	*			trans	57.7	109.6	145.8	-63.7	169.1	-175.3	-173.4	-0.9	117.7
282	R	22.6	Very low	25.8	Very low	202 Å²	202	158.1 Å²	158.1	76%	0.762	76%	0.761	S	S	*	*				60.1	103	50.6	-165	179.2	-179	168.5	0.3	114.7	E284	R282-E284 IonicContact CZ-OE1 2.99Å; R282-E284 IonicContact NE-OE1 3.9Å; R282-E284 IonicContact NH2-OE1 2.68Å; R282-E284 PolarHBondContact NH2-OE1 2.86Å
283	L	28.3	Very low	26	Very low	167 Å²	167	158.2 Å²	158.2	87%	0.874	76%	0.762	S	S	*	*			trans	-169.4	101.4	137.5	-113.5	126.1	0	0	0	106.4
284	E	24	Very low	26.1	Very low	98 Å²	98	152.2 Å²	152.2	46%	0.458	76%	0.757	S	S	.	*				77.6	112.9	79.9	-80.9	-157.1	177.3	0	0	115.9	R282	R282-E284 IonicContact CZ-OE1 2.99Å; R282-E284 IonicContact NE-OE1 3.9Å; R282-E284 IonicContact NH2-OE1 2.68Å; R282-E284 PolarHBondContact NH2-OE1 2.86Å
285	K	23.2	Very low	26.2	Very low	177 Å²	177	148.8 Å²	148.8	77%	0.77	75%	0.753	S	S	*	*				83.8	120	126.8	-71.5	176.5	-178.8	153.8	0	120.5
286	G	27.3	Very low	26.2	Very low	68 Å²	68	147.1 Å²	147.1	70%	0.701	76%	0.756	S	S	*	*			trans	162.5	91.2	146.1	0	0	0	0	0	109.7
287	K	24.2	Very low	26.2	Very low	200 Å²	200	151.1 Å²	151.1	87%	0.87	76%	0.764	S	S	*	*				53.7	132.9	92.5	-86.8	-170	175.6	-179.5	0	111.9
288	L	23.5	Very low	26.2	Very low	119 Å²	119	150.3 Å²	150.3	62%	0.623	76%	0.764	S	S	*	*			cis	173.1	152.4	9.4	-172.8	76.6	0	0	0	105.7
289	H	29.3	Very low	26.3	Very low	139 Å²	139	145.5 Å²	145.5	64%	0.644	76%	0.762	S	S	*	*			trans	71.6	146.3	157.3	-70.2	-17.9	0	0	0	118.4
290	K	27.1	Very low	26.2	Very low	174 Å²	174	146.1 Å²	146.1	76%	0.757	76%	0.764	S	S	*	*			cis	-162.9	133.1	-5.3	-115.1	167.2	-176	-177.5	0	105.4
291	R	22.9	Very low	26.1	Very low	235 Å²	235	150.4 Å²	150.4	89%	0.887	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-95.4	133.5	166	-160.4	-177.8	-166.9	-173.5	3.9	107.2
292	P	31	Very low	26	Very low	123 Å²	123	144.6 Å²	144.6	80%	0.799	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-100.2	124.5	151.5	24.2	-9.4	0	0	0	109
293	S	25.2	Very low	26.3	Very low	107 Å²	107	143.3 Å²	143.3	75%	0.748	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-88.5	137.5	161.3	44.2	0	0	0	0	108.7
294	S	29.9	Very low	26.1	Very low	116 Å²	116	140.8 Å²	140.8	81%	0.811	77%	0.766	S	S	*	*			trans	-144.5	106.3	152.9	62.4	0	0	0	0	110
295	T	25.5	Very low	26.2	Very low	128 Å²	128	143 Å²	143	79%	0.785	79%	0.786	S	S	*	*			trans	-62.8	145.1	161.1	36.3	0	0	0	0	111.5
296	T	29.3	Very low	26.3	Very low	148 Å²	148	140.1 Å²	140.1	91%	0.908	79%	0.787	S	S	*	*			trans	-151.3	122.3	144.1	12.2	0	0	0	0	108.9
297	E	23.9	Very low	26.1	Very low	181 Å²	181	141.3 Å²	141.3	85%	0.846	79%	0.785	S	S	*	*			trans	-83.2	151.1	174.3	-63.9	162.8	136	0	0	110.3
298	S	28.4	Very low	26.1	Very low	112 Å²	112	141.1 Å²	141.1	78%	0.783	79%	0.786	S	S	*	*			trans	176.1	110	141.2	38.7	0	0	0	0	106.8
299	S	26	Very low	26.2	Very low	105 Å²	105	140.5 Å²	140.5	73%	0.734	79%	0.79	S	S	*	*				91.6	105.5	74	-71	0	0	0	0	112.3
300	I	23.2	Very low	26.1	Very low	147 Å²	147	142.8 Å²	142.8	75%	0.754	80%	0.801	S	S	*	*			trans	59.6	112.7	130.8	-52.9	162.1	0	0	0	117
301	E	26.9	Very low	26.1	Very low	183 Å²	183	143.8 Å²	143.8	86%	0.855	81%	0.808	S	S	*	*				-157.9	107.3	123.4	-110.4	169.7	-162.2	0	0	110.4
302	S	25.3	Very low	26.1	Very low	107 Å²	107	140.5 Å²	140.5	75%	0.748	81%	0.807	S	S	*	*			trans	-101	117.6	172.1	52.4	0	0	0	0	108.4
303	H	27.9	Very low	25.9	Very low	176 Å²	176	139.3 Å²	139.3	82%	0.815	81%	0.807	S	S	*	*			trans	-102.5	106.5	161.4	-90	-74.2	0	0	0	108.9
304	S	24.2	Very low	25.9	Very low	114 Å²	114	139.6 Å²	139.6	80%	0.797	81%	0.805	S	S	*	*			trans	-74.9	129	166.2	67	0	0	0	0	109.5
305	V	25.9	Very low	25.7	Very low	145 Å²	145	142.1 Å²	142.1	88%	0.879	81%	0.807	S	S	*	*			trans	-109.8	141.7	159.2	175.2	0	0	0	0	108.3
306	C	24.6	Very low	25.6	Very low	116 Å²	116	140.1 Å²	140.1	78%	0.784	80%	0.799	S	S	*	*			trans	-68.3	149	-159.5	-163.5	0	0	0	0	114.5
307	S	24.2	Very low	25.4	Very low	93 Å²	93	137.9 Å²	137.9	65%	0.65	79%	0.789	S	S	*	*			trans	-70.5	140.1	169.5	48.8	0	0	0	0	113.6
308	H	24.6	Very low	25.5	Very low	195 Å²	195	134.7 Å²	134.7	90%	0.903	79%	0.786	S	S	*	*			trans	-132.7	114.2	150.2	-102	-67.7	0	0	0	108.7
309	P	25.2	Very low	25.3	Very low	107 Å²	107	137.1 Å²	137.1	70%	0.695	79%	0.79	S	S	*	*			trans	-112.6	116.9	166.1	32.9	-19	0	0	0	109.6
310	E	26.2	Very low	25.4	Very low	187 Å²	187	137.5 Å²	137.5	87%	0.874	79%	0.79	S	S	*	*			trans	-173.9	106.3	160.3	-112	168.7	-161	0	0	110
311	Q	27.9	Very low	25.6	Very low	195 Å²	195	137.1 Å²	137.1	91%	0.911	79%	0.79	S	S	*	*				177.2	96.2	124.4	-94.4	176.9	15.6	0	0	109.2
312	L	22.7	Very low	25.7	Very low	166 Å²	166	135.8 Å²	135.8	87%	0.869	79%	0.788	S	S	*	*			trans	-66.9	119.3	158.2	-84.1	132.1	0	0	0	108.6
313	A	27.4	Very low	25.6	Very low	97 Å²	97	136.8 Å²	136.8	80%	0.802	79%	0.79	S	S	*	*			trans	-121.6	91.8	156.2	0	0	0	0	0	107.8	I315	A313-I315 PolarHBondContact O-N 3.06Å
314	T	24.6	Very low	25.6	Very low	113 Å²	113	134.7 Å²	134.7	69%	0.693	79%	0.789	S	S	*	*			trans	-63.3	114.2	168.3	-53.5	0	0	0	0	109.2
315	I	25.9	Very low	25.7	Very low	170 Å²	170	135.8 Å²	135.8	87%	0.872	79%	0.785	S	S	*	*			trans	-116	103.3	153	-62	-179.4	0	0	0	106.5	A313	A313-I315 PolarHBondContact O-N 3.06Å
316	S	23.1	Very low	25.7	Very low	86 Å²	86	136 Å²	136	60%	0.601	79%	0.786	S	S	*	*			trans	-78	147.3	174.5	173.1	0	0	0	0	110.5
317	S	24.5	Very low	25.6	Very low	100 Å²	100	139.7 Å²	139.7	70%	0.699	79%	0.789	S	S	*	*			trans	60.2	104.6	144.3	60.1	0	0	0	0	119.1
318	S	27	Very low	25.7	Very low	114 Å²	114	146.3 Å²	146.3	80%	0.797	80%	0.8	S	S	*	*				-176	85.8	120.2	38.2	0	0	0	0	110
319	L	24.5	Very low	25.7	Very low	163 Å²	163	142.8 Å²	142.8	85%	0.853	80%	0.796	S	S	*	*			trans	-84.2	120.3	158	-99	81.4	0	0	0	107.2	N321	L319-N321 PolarHBondContact O-N 2.82Å
320	P	27.9	Very low	25.6	Very low	114 Å²	114	146.7 Å²	146.7	74%	0.74	80%	0.802	S	S	*	*			trans	-81.9	110.7	165.7	3	15.8	0	0	0	108.2	D322	P320-D322 PolarHBondContact O-N 3.27Å
321	N	26.2	Very low	25.6	Very low	139 Å²	139	145.8 Å²	145.8	74%	0.743	80%	0.803	S	S	*	*			trans	-72.9	105.8	157	-84.4	-15.7	0	0	0	107.3	L319	L319-N321 PolarHBondContact O-N 2.82Å
322	D	29.2	Very low	25.5	Very low	154 Å²	154	141.4 Å²	141.4	82%	0.824	80%	0.8	S	S	*	*			trans	-135.7	89.7	159.7	-89.6	-35.3	0	0	0	109	P320	P320-D322 PolarHBondContact O-N 3.27Å
323	T	23.7	Very low	25.6	Very low	129 Å²	129	141.6 Å²	141.6	79%	0.791	80%	0.801	S	S	*	*			trans	-98.6	73.2	176.9	-39	0	0	0	0	109
324	V	27.1	Very low	25.6	Very low	132 Å²	132	144.3 Å²	144.3	80%	0.8	80%	0.802	S	S	*	*			trans	-150.7	146.9	165.4	-167.8	0	0	0	0	110.2
325	I	27.1	Very low	25.8	Very low	137 Å²	137	144.5 Å²	144.5	70%	0.703	81%	0.808	S	S	*	*			trans	102.2	58.6	171.4	-43.2	164.9	0	0	0	114.2
326	V	25.3	Very low	25.9	Very low	150 Å²	150	142.1 Å²	142.1	91%	0.909	80%	0.804	S	S	*	*			trans	-91.5	80.2	145.4	-177.5	0	0	0	0	107.4
327	K	24.2	Very low	26.1	Very low	193 Å²	193	143.8 Å²	143.8	84%	0.839	82%	0.815	S	S	*	*			trans	-168.8	64.3	164.9	-125.8	-178.9	-175.1	178.9	0	113.1
328	R	24.4	Very low	26.4	Very low	232 Å²	232	142.9 Å²	142.9	88%	0.875	81%	0.814	S	S	*	*			trans	-147.6	70.2	159.9	-75.9	-163.6	-179.7	144	0.4	110.1
329	C	25.6	Very low	26.5	Very low	121 Å²	121	145.4 Å²	145.4	82%	0.818	82%	0.819	S	S	*	*			trans	-135.4	41.3	166.7	-71.8	0	0	0	0	110.1
330	F	23.9	Very low	26.6	Very low	189 Å²	189	147.1 Å²	147.1	83%	0.829	82%	0.815	S	S	*	*	S	Bend	trans	-145.9	109.9	161.7	-73.1	-79.1	0	0	0	103.6
331	D	25.7	Very low	26.8	Very low	168 Å²	168	147 Å²	147	90%	0.898	81%	0.814	S	S	*	*			trans	152.5	21.5	165.8	-73.4	-11	0	0	0	112.8
332	A	25.8	Very low	26.9	Very low	103 Å²	103	145.9 Å²	145.9	85%	0.851	82%	0.815	S	S	*	*			trans	-103.4	20.9	170.7	0	0	0	0	0	113.6
333	L	25.5	Very low	26.9	Very low	170 Å²	170	146.8 Å²	146.8	89%	0.89	82%	0.819	S	S	*	*	S	Bend	trans	-101	58.6	167.4	-76.4	167.5	0	0	0	109.3
334	D	26.5	Very low	27.4	Very low	154 Å²	154	144.7 Å²	144.7	82%	0.824	81%	0.81	S	S	*	*			trans	-171.5	76.6	158.5	-101.8	-19.1	0	0	0	109.6
335	S	28	Very low	27.8	Very low	117 Å²	117	145.3 Å²	145.3	82%	0.818	81%	0.807	S	S	*	*			trans	-154.5	109.1	162.3	-74.6	0	0	0	0	109.6
336	P	27.7	Very low	28.3	Very low	120 Å²	120	140.5 Å²	140.5	78%	0.779	78%	0.784	S	S	*	*			trans	-79.3	150.2	179.3	31.4	-31.8	0	0	0	111.6
337	S	27.6	Very low	29.3	Very low	120 Å²	120	144 Å²	144	84%	0.839	78%	0.782	S	S	*	*			trans	74	66.6	164.1	71.8	0	0	0	0	118.5
338	A	31	Very low	30.3	Very low	82 Å²	82	139.4 Å²	139.4	68%	0.678	76%	0.764	S	S	*	*			trans	-101.1	107	148.9	0	0	0	0	0	108.4	Y340	A338-Y340 VanDerWaalsContact C-N 3.33Å; A338-Y340 HydrophobicContact CB-CE2 4.38Å; A338-Y340 PolarHBondContact O-N 2.57Å
339	N	30	Very low	31.1	Very low	167 Å²	167	130 Å²	130	89%	0.893	73%	0.733	S	S	*	*			trans	-60.6	88.6	173.5	-91	-20	0	0	0	110.1
340	Y	26.8	Very low	32	Very low	198 Å²	198	129.5 Å²	129.5	78%	0.776	73%	0.726	S	S	*	*	P	Polyproline II helix	trans	-80.2	130.8	154.2	-73.6	-80.6	0	0	0	107.6	A338	A338-Y340 VanDerWaalsContact C-N 3.33Å; A338-Y340 HydrophobicContact CB-CE2 4.38Å; A338-Y340 PolarHBondContact O-N 2.57Å
341	P	30.8	Very low	32.9	Very low	111 Å²	111	127.1 Å²	127.1	72%	0.721	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-57.4	134.5	168.8	25.1	-30.3	0	0	0	107.6	L343	P341-L343 PolarHBondContact O-N 3.2Å
342	P	28.4	Very low	33.7	Very low	117 Å²	117	119.6 Å²	119.6	76%	0.76	67%	0.672	S	S	*	*	P	Polyproline II helix	trans	-57.8	129.3	177.4	23.6	-30.9	0	0	0	107.7	S344	P342-S344 VanDerWaalsContact C-N 3.32Å; P342-S344 PolarHBondContact O-N 3.14Å
343	L	29.9	Very low	34.7	Very low	172 Å²	172	115.6 Å²	115.6	90%	0.901	64%	0.635	S	S	*	*			trans	-51.8	104.8	164.9	-73.7	166.8	0	0	0	106.3	P341 I345	P341-L343 PolarHBondContact O-N 3.2Å; L343-I345 PolarHBondContact O-N 3.12Å
344	S	33.3	Very low	35.6	Very low	86 Å²	86	108.1 Å²	108.1	60%	0.601	60%	0.597	S	S	*	*			trans	-64.4	105.9	-180	42.1	0	0	0	0	107	P342 P346	P342-S344 VanDerWaalsContact C-N 3.32Å; P342-S344 PolarHBondContact O-N 3.14Å; S344-P346 VanDerWaalsContact O-CD 3.31Å; S344-P346 WeakPolarHBondContact O-CD 3.25Å
345	I	37.2	Very low	35.9	Very low	144 Å²	144	101.9 Å²	101.9	74%	0.738	57%	0.565	S	S	*	*	P	Polyproline II helix	trans	-58.6	119.6	169.3	-60.5	172.7	0	0	0	105.7	L343 R347	L343-I345 PolarHBondContact O-N 3.12Å; I345-R347 PolarHBondContact O-N 3.18Å
346	P	38	Very low	36.3	Very low	36 Å²	36	98 Å²	98	23%	0.234	54%	0.538	C	S	.	.	P	Polyproline II helix	trans	-53.6	132.2	-178	-25.8	33.4	0	0	0	110.1	S344 M348	S344-P346 VanDerWaalsContact O-CD 3.31Å; S344-P346 WeakPolarHBondContact O-CD 3.25Å; P346-M348 PolarHBondContact O-N 3.47Å
347	R	44.4	Very low	36.6	Very low	225 Å²	225	97 Å²	97	85%	0.849	53%	0.526	S	S	*	.	P	Polyproline II helix	trans	-61	123.8	-179.8	-120.1	179.1	-175.4	152.5	1.1	109.1	I345	I345-R347 PolarHBondContact O-N 3.18Å
348	M	45.3	Very low	37.2	Very low	96 Å²	96	94.5 Å²	94.5	47%	0.473	50%	0.503	S	S	.	.	P	Polyproline II helix	trans	-65.2	128.3	173.9	-75	-159	72.3	0	0	110.4	P346 L457	P346-M348 PolarHBondContact O-N 3.47Å; M348-L457 HydrophobicContact CE-CD1 4.15Å; M348-L457 HydrophobicContact CE-CD2 3.26Å; M348-L457 HydrophobicContact CE-CG 3.84Å
349	P	40.9	Very low	37.5	Very low	34 Å²	34	95.7 Å²	95.7	22%	0.221	50%	0.498	C	S	.	.	P	Polyproline II helix	trans	-72.5	135.7	178.2	-3.3	15.8	0	0	0	111.2	R351 T471	P349-R351 PolarHBondContact O-N 3.24Å; P349-T471 HydrophobicContact CB-CG2 4.01Å; P349-T471 HydrophobicContact CG-CG2 3.96Å
350	V	45.9	Very low	37.6	Very low	110 Å²	110	94.7 Å²	94.7	67%	0.667	49%	0.488	S	S	*	.	S	Bend	trans	-72.6	111.3	172.7	179.1	0	0	0	0	109
351	R	41.9	Very low	38	Very low	139 Å²	139	89.1 Å²	89.1	53%	0.525	48%	0.483	S	S	.	.			trans	45.8	129.7	175	-66.9	-171.3	-178.2	-166	2.7	116.2	P349 D357 T471 R784	P349-R351 PolarHBondContact O-N 3.24Å; R351-D357 IonicContact CZ-OD2 3.25Å; R351-D357 IonicContact NH1-OD2 3.64Å; R351-D357 PolarHBondContact NH1-OD2 2.96Å; R351-D357 IonicContact NH2-OD2 2.95Å; R351-T471 VanDerWaalsContact C-OG1 3.25Å; R351-T471 WeakPolarHBondContact CA-OG1 3.48Å; R351-R784 PolarHBondContact O-NH2 2.91Å
352	S	42.7	Very low	38.1	Very low	10 Å²	10	92.4 Å²	92.4	7%	0.07	49%	0.489	C	S	.	.			trans	-70.4	153.9	173.8	70.8	0	0	0	0	109.9	S354 S355 T471	S352-S354 PolarHBondContact O-N 3.07Å; S352-S354 VanDerWaalsContact O-N 3.13Å; S352-S354 PolarHBondContact OG-N 3.08Å; S352-S355 WeakPolarHBondContact O-CB 3.46Å; S352-S355 PolarHBondContact O-N 3.36Å; S352-T471 PolarHBondContact N-OG1 3.22Å
353	Y	47.4	Very low	38.1	Very low	20 Å²	20	93.7 Å²	93.7	8%	0.078	49%	0.489	C	S	.	.	G	3₁₀ helix	trans	-58.2	-22.1	171.1	179	-112.7	0	0	0	112.7	S355 H589 Q783 R784	Y353-S355 PolarHBondContact O-N 3.1Å; Y353-H589 AromaticContact CD1-CE1 3.24Å; Y353-H589 WeakPolarHBondContact CD1-CE1 3.32Å; Y353-H589 AromaticContact CD1-ND1 3.9Å; Y353-H589 AromaticContact CD1-NE2 3.85Å; Y353-H589 AromaticContact CE1-CE1 2.96Å; Y353-H589 WeakPolarHBondContact CE1-CE1 3.29Å; Y353-H589 AromaticContact CE1-CG 3.94Å; Y353-H589 AromaticContact CE1-ND1 3.26Å; Y353-H589 VanDerWaalsContact CE1-ND1 3.26Å; Y353-H589 WeakPolarHBondContact CE1-ND1 3.47Å; Y353-H589 AromaticContact CE1-NE2 3.44Å; Y353-H589 WeakPolarHBondContact CE1-NE2 3.38Å; Y353-H589 AromaticContact CZ-CD2 3.87Å; Y353-H589 AromaticContact CZ-CE1 3.54Å; Y353-H589 AromaticContact CZ-ND1 3.89Å; Y353-H589 AromaticContact CZ-NE2 3.49Å; Y353-H589 PolarHBondContact O-CE1 3.28Å; Y353-H589 PolarHBondContact O-NE2 3.13Å; Y353-H589 VanDerWaalsContact O-NE2 3.13Å; Y353-Q783 HydrophobicContact CD1-CB 4.4Å; Y353-Q783 HydrophobicContact CD2-CB 3.75Å; Y353-Q783 HydrophobicContact CE1-CB 4.06Å; Y353-Q783 HydrophobicContact CE1-CG 4.44Å; Y353-Q783 HydrophobicContact CE2-CB 3.37Å; Y353-Q783 HydrophobicContact CG-CB 4.28Å; Y353-R784 HydrophobicContact CD2-CG 4.08Å; Y353-R784 HydrophobicContact CE2-CG 4.41Å
354	S	43.5	Very low	38.1	Very low	13 Å²	13	92.2 Å²	92.2	9%	0.091	48%	0.482	C	S	.	.	G	3₁₀ helix	trans	-74.3	1.6	174.2	-158.5	0	0	0	0	114.1	S352 T468	S352-S354 PolarHBondContact O-N 3.07Å; S352-S354 VanDerWaalsContact O-N 3.13Å; S352-S354 PolarHBondContact OG-N 3.08Å; S354-T468 WeakPolarHBondContact CB-O 3.48Å; S354-T468 WeakPolarHBondContact OG-CG2 3.31Å; S354-T468 PolarHBondContact OG-O 3.16Å
355	S	33.8	Very low	37.8	Very low	22 Å²	22	96.7 Å²	96.7	15%	0.154	49%	0.493	C	S	.	.	G	3₁₀ helix	trans	-127.6	42.5	-172.8	-160.9	0	0	0	0	112.2	S352 Y353 R469	S352-S355 WeakPolarHBondContact O-CB 3.46Å; S352-S355 PolarHBondContact O-N 3.36Å; Y353-S355 PolarHBondContact O-N 3.1Å; S355-R469 VanDerWaalsContact CB-O 3.26Å; S355-R469 WeakPolarHBondContact CB-O 3.28Å; S355-R469 PolarHBondContact OG-O 3.09Å
356	S	35.3	Very low	37.3	Very low	37 Å²	37	98.6 Å²	98.6	26%	0.259	50%	0.499	S	S	.	.			trans	-90.1	135.5	173.7	-157.1	0	0	0	0	110.3	D358	S356-D358 WeakPolarHBondContact CB-OD2 3.14Å; S356-D358 PolarHBondContact O-N 2.9Å; S356-D358 PolarHBondContact OG-OD1 3.33Å; S356-D358 PolarHBondContact OG-OD2 2.7Å
357	D	34.5	Very low	36.9	Very low	97 Å²	97	106.2 Å²	106.2	52%	0.519	53%	0.532	S	S	.	.			trans	-75.7	33.1	178.8	-64.4	-44.7	0	0	0	111.9	R351 D359 Q360	R351-D357 IonicContact CZ-OD2 3.25Å; R351-D357 IonicContact NH1-OD2 3.64Å; R351-D357 PolarHBondContact NH1-OD2 2.96Å; R351-D357 IonicContact NH2-OD2 2.95Å; D357-D359 VanDerWaalsContact C-N 3.26Å; D357-D359 PolarHBondContact O-N 3.22Å; D357-Q360 PolarHBondContact O-N 2.81Å
358	D	40.3	Very low	36	Very low	68 Å²	68	104.2 Å²	104.2	36%	0.364	53%	0.532	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-8.3	-164.2	-75.6	-38.7	0	0	0	114.7	S356	S356-D358 WeakPolarHBondContact CB-OD2 3.14Å; S356-D358 PolarHBondContact O-N 2.9Å; S356-D358 PolarHBondContact OG-OD1 3.33Å; S356-D358 PolarHBondContact OG-OD2 2.7Å
359	D	36.8	Very low	35.1	Very low	107 Å²	107	106.6 Å²	106.6	57%	0.572	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.8	-0.3	177.6	-67.9	-27.3	0	0	0	114.5	D357 A361	D357-D359 VanDerWaalsContact C-N 3.26Å; D357-D359 PolarHBondContact O-N 3.22Å; D359-A361 PolarHBondContact O-N 2.72Å
360	Q	33.6	Very low	34.6	Very low	146 Å²	146	113.7 Å²	113.7	68%	0.682	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.9	-0.5	-179.8	-146.2	81.4	67.6	0	0	113.6	D357	D357-Q360 PolarHBondContact O-N 2.81Å
361	A	34.3	Very low	33.6	Very low	81 Å²	81	117.3 Å²	117.3	67%	0.669	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.2	5.1	-177.6	0	0	0	0	0	115.2	D359	D359-A361 PolarHBondContact O-N 2.72Å
362	Q	32.3	Very low	32.8	Very low	181 Å²	181	119 Å²	119	85%	0.846	60%	0.598	S	S	*	*	S	Bend	trans	-100.4	1.3	173.9	-83.7	-167	-11.7	0	0	114.8
363	L	29.7	Very low	32	Very low	144 Å²	144	126.7 Å²	126.7	75%	0.754	63%	0.63	S	S	*	*	S	Bend	trans	-109.4	4.2	176.5	-80.2	164.2	0	0	0	114.7	Q365	L363-Q365 PolarHBondContact O-N 3.22Å
364	D	28.6	Very low	30.8	Very low	140 Å²	140	131.9 Å²	131.9	75%	0.749	66%	0.659	S	S	*	*			trans	-87	27.3	-178.7	-69.9	-13.2	0	0	0	114.2
365	Q	27.5	Very low	30.1	Very low	181 Å²	181	138 Å²	138	85%	0.846	70%	0.696	S	S	*	*	S	Bend	trans	-135.9	74.9	167.8	-80.4	-179	27.4	0	0	109.4	L363	L363-Q365 PolarHBondContact O-N 3.22Å
366	E	27.6	Very low	29.7	Very low	184 Å²	184	144.3 Å²	144.3	86%	0.86	72%	0.723	S	S	*	*	S	Bend	trans	160.2	136.6	144.2	-84.7	160.3	-158.9	0	0	108.1
367	E	28.4	Very low	29.5	Very low	196 Å²	196	151.5 Å²	151.5	92%	0.916	75%	0.753	S	S	*	*			trans	89.5	61	-176.7	-51.3	-168.6	174.5	0	0	115.9
368	E	25.7	Very low	29.2	Very low	183 Å²	183	153.8 Å²	153.8	86%	0.855	77%	0.765	S	S	*	*			trans	-60.5	146.2	135	-70.5	178.1	160.5	0	0	108.3
369	D	26.1	Very low	28.8	Very low	145 Å²	145	157.9 Å²	157.9	78%	0.775	79%	0.785	S	S	*	*			trans	94.8	91	175	-50.3	-29.2	0	0	0	116.1
370	E	31.1	Very low	28.3	Very low	184 Å²	184	158.5 Å²	158.5	86%	0.86	80%	0.795	S	S	*	*				-166.3	101.1	125.4	-86.7	-44	155.7	0	0	109.4
371	E	24.1	Very low	28.1	Very low	186 Å²	186	158.3 Å²	158.3	87%	0.869	80%	0.803	S	S	*	*			trans	-71.6	115.2	166.5	-68.3	179.9	159.8	0	0	109.9
372	F	26.2	Very low	27.7	Very low	174 Å²	174	161.7 Å²	161.7	76%	0.763	81%	0.81	S	S	*	*			trans	-157.3	109.2	160.9	-146.2	-104.5	0	0	0	116.7
373	F	26.4	Very low	27.5	Very low	172 Å²	172	158.6 Å²	158.6	75%	0.754	81%	0.808	S	S	*	*			trans	83	120.7	144.8	-84	-111	0	0	0	123.6
374	D	21.9	Very low	27.3	Very low	128 Å²	128	156.4 Å²	156.4	68%	0.684	81%	0.81	S	S	*	*			trans	-76.4	129.2	172.4	-169.5	4.5	0	0	0	111.4	Q376	D374-Q376 PolarHBondContact OD1-N 3.02Å
375	T	28.8	Very low	27.3	Very low	142 Å²	142	157.2 Å²	157.2	87%	0.871	81%	0.813	S	S	*	*			trans	-138.8	92.5	153.2	55.7	0	0	0	0	109.6
376	Q	24.5	Very low	27.3	Very low	155 Å²	155	154.8 Å²	154.8	72%	0.724	81%	0.81	S	S	*	*			trans	-56.8	119.9	160.5	-168.2	171.8	62.4	0	0	111	D374	D374-Q376 PolarHBondContact OD1-N 3.02Å
377	E	31.7	Very low	27.1	Very low	188 Å²	188	153.9 Å²	153.9	88%	0.879	81%	0.811	S	S	*	*			trans	-132	117.3	156.3	-82	-165.8	167.5	0	0	109.8
378	D	27.4	Very low	27	Very low	144 Å²	144	149.8 Å²	149.8	77%	0.77	81%	0.805	S	S	*	*			trans	-65.4	130.1	-175.3	-64.8	-61.2	0	0	0	113.3
379	I	31.6	Very low	27	Very low	155 Å²	155	147 Å²	147	80%	0.795	80%	0.802	S	S	*	*			trans	-119.9	123.6	161.3	-57.5	178.9	0	0	0	108.9	V381	I379-V381 PolarHBondContact O-N 3.23Å
380	P	27.3	Very low	27.1	Very low	119 Å²	119	149 Å²	149	77%	0.773	81%	0.807	S	S	*	*			trans	-79.2	120.1	-170.2	6.5	7.6	0	0	0	112.3
381	V	28.8	Very low	27	Very low	142 Å²	142	145.2 Å²	145.2	86%	0.861	80%	0.801	S	S	*	*			trans	-84.4	110.5	168.2	178.3	0	0	0	0	108.6	I379	I379-V381 PolarHBondContact O-N 3.23Å
382	N	27.1	Very low	27	Very low	152 Å²	152	142.2 Å²	142.2	81%	0.813	80%	0.795	S	S	*	*			trans	-121.5	91.4	175.4	-143.9	16.8	0	0	0	109
383	C	27.1	Very low	27.1	Very low	117 Å²	117	143.6 Å²	143.6	79%	0.791	80%	0.801	S	S	*	*			trans	-148.3	90.2	163.4	-95.5	0	0	0	0	108.9	I385	C383-I385 PolarHBondContact O-N 3.24Å
384	A	26	Very low	26.9	Very low	97 Å²	97	142.1 Å²	142.1	80%	0.802	80%	0.801	S	S	*	*			trans	-72	109.9	167.7	0	0	0	0	0	109
385	I	28.9	Very low	27.3	Very low	157 Å²	157	143.7 Å²	143.7	81%	0.805	81%	0.809	S	S	*	*			trans	-111.3	126.2	160.3	-61.1	179.6	0	0	0	107.1	C383	C383-I385 PolarHBondContact O-N 3.24Å
386	T	27	Very low	27	Very low	130 Å²	130	142.5 Å²	142.5	80%	0.798	80%	0.802	S	S	*	*			trans	-72.8	128.9	-165.8	44	0	0	0	0	112.1
387	N	22.9	Very low	27	Very low	165 Å²	165	141.6 Å²	141.6	88%	0.882	80%	0.802	S	S	*	*			trans	-65.9	129.4	166	-78.4	-36.1	0	0	0	110.5
388	S	26.5	Very low	26.6	Very low	111 Å²	111	139.3 Å²	139.3	78%	0.776	79%	0.794	S	S	*	*			trans	-143.1	119.5	148.8	58.3	0	0	0	0	109.9
389	P	26.3	Very low	26.6	Very low	124 Å²	124	138.6 Å²	138.6	81%	0.805	79%	0.791	S	S	*	*			trans	-93.3	127.4	-178.4	32.9	-28.5	0	0	0	110.6
390	Q	28.5	Very low	26.1	Very low	186 Å²	186	140 Å²	140	87%	0.869	80%	0.796	S	S	*	*			trans	-123.5	104.6	167.4	-81.2	-169.1	-12.7	0	0	111.6
391	S	28	Very low	26	Very low	105 Å²	105	143.2 Å²	143.2	73%	0.734	79%	0.794	S	S	*	*			trans	36.3	109.1	142.3	65	0	0	0	0	120
392	V	23.4	Very low	25.8	Very low	123 Å²	123	141.4 Å²	141.4	75%	0.745	79%	0.788	S	S	*	*			trans	-30.8	126	147	-176.8	0	0	0	0	113.7
393	K	28.3	Very low	25.7	Very low	203 Å²	203	141.7 Å²	141.7	88%	0.883	79%	0.789	S	S	*	*			trans	-137.6	101.1	151.2	-80.7	-170	178.4	178.2	0	108.8
394	D	23.9	Very low	25.8	Very low	141 Å²	141	141.5 Å²	141.5	75%	0.754	79%	0.787	S	S	*	*			trans	-62.8	129.3	161.4	-72.2	-44.9	0	0	0	109.4
395	N	28.9	Very low	25.6	Very low	162 Å²	162	143.5 Å²	143.5	87%	0.866	79%	0.789	S	S	*	*			trans	-151.5	112.7	151.2	-112.4	-6.5	0	0	0	110.2
396	T	22.8	Very low	25.5	Very low	117 Å²	117	141.5 Å²	141.5	72%	0.718	78%	0.784	S	S	*	*			trans	-61.4	132.1	168.5	47.9	0	0	0	0	112
397	N	25.7	Very low	25.6	Very low	135 Å²	135	140.3 Å²	140.3	72%	0.722	78%	0.778	S	S	*	*				155.2	119.8	122.7	-88.6	-36.8	0	0	0	112.9
398	I	22.7	Very low	25.7	Very low	140 Å²	140	140.5 Å²	140.5	72%	0.718	78%	0.778	S	S	*	*			trans	42.4	108.2	131.3	-54	171.3	0	0	0	116.4
399	N	27.2	Very low	25.6	Very low	130 Å²	130	141.5 Å²	141.5	70%	0.695	78%	0.78	S	S	*	*				-161.1	107.3	129.2	-104.2	-20.7	0	0	0	110.7	Y401	N399-Y401 HydrophobicContact CB-CD2 3.95Å; N399-Y401 HydrophobicContact CB-CE2 4.23Å; N399-Y401 PolarHBondContact O-N 3.03Å; N399-Y401 WeakPolarHBondContact OD1-CE2 3.42Å
400	M	20.7	Very low	25.8	Very low	185 Å²	185	145.2 Å²	145.2	91%	0.911	78%	0.784	S	S	*	*			trans	-73	106.9	160.9	-66.4	-145.6	87.2	0	0	108
401	Y	25.6	Very low	25.8	Very low	185 Å²	185	141.4 Å²	141.4	73%	0.725	78%	0.778	S	S	*	*			trans	-137.4	114.7	162.8	-77.8	-73.8	0	0	0	110.1	N399	N399-Y401 HydrophobicContact CB-CD2 3.95Å; N399-Y401 HydrophobicContact CB-CE2 4.23Å; N399-Y401 PolarHBondContact O-N 3.03Å; N399-Y401 WeakPolarHBondContact OD1-CE2 3.42Å
402	S	24.9	Very low	25.7	Very low	104 Å²	104	140.1 Å²	140.1	73%	0.727	78%	0.78	S	S	*	*			trans	66.6	84.6	136	-41.1	0	0	0	0	117.2
403	N	24.7	Very low	25.9	Very low	159 Å²	159	144.9 Å²	144.9	85%	0.85	79%	0.785	S	S	*	*			trans	-61.6	127.4	156.7	-88.9	-25	0	0	0	109.5	T405	N403-T405 PolarHBondContact O-N 3.49Å
404	P	28.3	Very low	25.9	Very low	113 Å²	113	145.3 Å²	145.3	73%	0.734	78%	0.783	S	S	*	*			trans	-70.1	118.8	178.8	27.2	-30.5	0	0	0	109.6	V406	P404-V406 PolarHBondContact O-N 2.82Å
405	T	23.4	Very low	26	Very low	138 Å²	138	146 Å²	146	85%	0.847	79%	0.785	S	S	*	*			trans	-61.5	92.9	173.2	-45.2	0	0	0	0	109.9	N403	N403-T405 PolarHBondContact O-N 3.49Å
406	V	26.4	Very low	26	Very low	115 Å²	115	143.5 Å²	143.5	70%	0.697	78%	0.778	S	S	*	*			trans	-83.1	124.6	162.2	-179.5	0	0	0	0	107.1	P404 L408	P404-V406 PolarHBondContact O-N 2.82Å; V406-L408 PolarHBondContact O-N 2.97Å; V406-L408 VanDerWaalsContact O-N 3.14Å
407	P	27.7	Very low	26.2	Very low	106 Å²	106	143.2 Å²	143.2	69%	0.688	78%	0.781	S	S	*	*			trans	-63.7	117.4	-174.7	-16.7	28.8	0	0	0	110.6	T409	P407-T409 PolarHBondContact O-N 3.38Å
408	L	25.1	Very low	26.3	Very low	168 Å²	168	146.2 Å²	146.2	88%	0.88	79%	0.79	S	S	*	*			trans	-58.9	104.1	164.4	-92.8	89.1	0	0	0	108.2	V406 K410	V406-L408 PolarHBondContact O-N 2.97Å; V406-L408 VanDerWaalsContact O-N 3.14Å; L408-K410 PolarHBondContact O-N 3.33Å
409	T	26.2	Very low	26.6	Very low	133 Å²	133	144.5 Å²	144.5	82%	0.816	79%	0.791	S	S	*	*			trans	-64.7	115.7	164.2	47	0	0	0	0	106.9	P407 S411	P407-T409 PolarHBondContact O-N 3.38Å; T409-S411 PolarHBondContact O-N 2.91Å
410	K	29.1	Very low	26.7	Very low	202 Å²	202	143.2 Å²	143.2	88%	0.878	79%	0.792	S	S	*	*			trans	-51.7	117.3	-179.2	-75.3	175.6	176	176.1	0	109.1	L408 G412	L408-K410 PolarHBondContact O-N 3.33Å; K410-G412 PolarHBondContact O-N 3Å
411	S	29.5	Very low	27.3	Very low	106 Å²	106	141.8 Å²	141.8	74%	0.741	79%	0.788	S	S	*	*			trans	-37.2	119.9	165	-167.1	0	0	0	0	109.5	T409 R413	T409-S411 PolarHBondContact O-N 2.91Å; S411-R413 VanDerWaalsContact C-N 3.26Å; S411-R413 PolarHBondContact O-N 3.42Å
412	G	25.5	Very low	27.5	Very low	77 Å²	77	141.1 Å²	141.1	79%	0.794	80%	0.797	S	S	*	*			trans	-64.4	83	-176.8	0	0	0	0	0	110.9	K410 Y414	K410-G412 PolarHBondContact O-N 3Å; G412-Y414 PolarHBondContact O-N 2.94Å
413	R	26.7	Very low	27.8	Very low	223 Å²	223	147.4 Å²	147.4	84%	0.842	81%	0.805	S	S	*	*			trans	-73	108.7	163.1	-71.5	-176.1	-178.1	167.4	0.3	107	S411 L415	S411-R413 VanDerWaalsContact C-N 3.26Å; S411-R413 PolarHBondContact O-N 3.42Å; R413-L415 PolarHBondContact O-N 3.4Å; R413-L415 VanDerWaalsContact O-N 3.1Å
414	Y	28.9	Very low	28.2	Very low	213 Å²	213	145.8 Å²	145.8	84%	0.835	80%	0.801	S	S	*	*			trans	-51.4	113.3	168.9	-126.9	-100.6	0	0	0	108.8	G412	G412-Y414 PolarHBondContact O-N 2.94Å
415	L	26.7	Very low	28.6	Very low	154 Å²	154	148.9 Å²	148.9	81%	0.806	81%	0.811	S	S	*	*			trans	-84.4	126.1	164.6	-85	158.5	0	0	0	106.6	R413 S417	R413-L415 PolarHBondContact O-N 3.4Å; R413-L415 VanDerWaalsContact O-N 3.1Å; L415-S417 PolarHBondContact O-N 2.87Å
416	P	28.5	Very low	29.4	Very low	111 Å²	111	146.2 Å²	146.2	72%	0.721	80%	0.799	S	S	*	*			trans	-59.7	124	172.9	-15.5	28.1	0	0	0	108.3	Q418	P416-Q418 PolarHBondContact O-N 3.48Å; P416-Q418 VanDerWaalsContact O-N 3.07Å
417	S	27.7	Very low	30.3	Very low	110 Å²	110	147 Å²	147	77%	0.769	81%	0.809	S	S	*	*			trans	-59.6	112.3	176.3	52.1	0	0	0	0	109.7	L415 S419	L415-S417 PolarHBondContact O-N 2.87Å; S417-S419 VanDerWaalsContact C-N 3.25Å; S417-S419 PolarHBondContact O-N 3.03Å
418	Q	27.7	Very low	31.1	Very low	198 Å²	198	149.2 Å²	149.2	93%	0.925	81%	0.814	S	S	*	*			trans	-73.7	81.6	167.5	-66.2	-172.7	27	0	0	108.7	P416 S420	P416-Q418 PolarHBondContact O-N 3.48Å; P416-Q418 VanDerWaalsContact O-N 3.07Å; Q418-S420 PolarHBondContact O-N 2.92Å
419	S	28.7	Very low	32	Very low	104 Å²	104	148 Å²	148	73%	0.727	81%	0.808	S	S	*	*			trans	-88.6	96.1	165.1	67.3	0	0	0	0	109	S417 N421	S417-S419 VanDerWaalsContact C-N 3.25Å; S417-S419 PolarHBondContact O-N 3.03Å; S419-N421 PolarHBondContact O-N 3.04Å
420	S	29	Very low	33.1	Very low	103 Å²	103	147 Å²	147	72%	0.72	80%	0.798	S	S	*	*			trans	-61.7	111.9	157.1	47.7	0	0	0	0	109	Q418	Q418-S420 PolarHBondContact O-N 2.92Å
421	N	32.8	Very low	34.3	Very low	156 Å²	156	139.2 Å²	139.2	83%	0.834	77%	0.768	S	S	*	*			trans	-172.2	126.3	147.4	-94.2	-26.8	0	0	0	112	S419 R423	S419-N421 PolarHBondContact O-N 3.04Å; N421-R423 PolarHBondContact O-N 3.35Å; N421-R423 VanDerWaalsContact O-N 3.14Å
422	N	30.2	Very low	35.6	Very low	170 Å²	170	139.1 Å²	139.1	91%	0.909	75%	0.754	S	S	*	*			trans	-50.4	109	174.1	-68.2	-37	0	0	0	112.3
423	R	32	Very low	37.7	Very low	237 Å²	237	136.4 Å²	136.4	89%	0.894	72%	0.722	S	S	*	*			trans	-125.4	100.7	156.6	-79.3	-173.2	177.8	-177.3	0.4	109.1	N421	N421-R423 PolarHBondContact O-N 3.35Å; N421-R423 VanDerWaalsContact O-N 3.14Å
424	T	32.9	Very low	39.8	Very low	125 Å²	125	132.2 Å²	132.2	77%	0.767	71%	0.711	S	S	*	*			trans	1.6	111.4	146.1	53.6	0	0	0	0	117.1	S426	T424-S426 PolarHBondContact O-N 2.9Å
425	N	35.3	Very low	42	Very low	177 Å²	177	122.6 Å²	122.6	95%	0.947	68%	0.675	S	S	*	*			trans	25.3	80.1	133.5	-124.2	9	0	0	0	117
426	S	40.2	Very low	44.4	Very low	83 Å²	83	115.9 Å²	115.9	58%	0.58	64%	0.639	S	S	*	*			trans	-150.5	113.7	153.9	66.3	0	0	0	0	109.6	T424 L428	T424-S426 PolarHBondContact O-N 2.9Å; S426-L428 PolarHBondContact O-N 2.6Å
427	S	45.5	Very low	46.3	Very low	131 Å²	131	112.2 Å²	112.2	92%	0.916	61%	0.613	S	S	*	*	S	Bend	trans	-60.7	49.1	-177.5	172	0	0	0	0	115.1
428	L	45.1	Very low	47.9	Very low	152 Å²	152	109 Å²	109	80%	0.796	59%	0.587	S	S	*	*			trans	-91.5	-3.3	173.6	-77.5	165.7	0	0	0	112.7	S426	S426-L428 PolarHBondContact O-N 2.6Å
429	D	43.1	Very low	49.4	Very low	142 Å²	142	108.2 Å²	108.2	76%	0.759	58%	0.583	S	S	*	*	S	Bend	trans	-127.1	31.9	-141.1	-153.4	21.8	0	0	0	116.7
430	D	48.9	Very low	50.5	Low	113 Å²	113	108.9 Å²	108.9	60%	0.604	58%	0.579	S	S	*	*	S	Bend	trans	-142.2	1	175.8	-97.2	-30.3	0	0	0	117.7	P744	D430-P744 WeakPolarHBondContact O-CD 3.29Å; D430-P744 WeakPolarHBondContact O-CG 3.41Å
431	T	54.9	Low	51.8	Low	38 Å²	38	106.6 Å²	106.6	23%	0.233	56%	0.557	C	S	.	*	S	Bend	trans	-133.8	-6.5	-176.2	20	0	0	0	0	115.6	H741 V742	T431-H741 WeakPolarHBondContact CB-ND1 3.44Å; T431-H741 HydrophobicContact CG2-CB 3.69Å; T431-H741 PolarHBondContact OG1-ND1 3.2Å; T431-V742 WeakPolarHBondContact CG2-O 3.5Å
432	F	57.4	Low	52.7	Low	105 Å²	105	107.8 Å²	107.8	46%	0.461	56%	0.557	S	S	.	*			trans	-95.1	122.5	178.3	-172.8	-107.9	0	0	0	110.7	D437	F432-D437 HydrophobicContact CE1-CB 4.15Å; F432-D437 HydrophobicContact CZ-CB 3.63Å
433	D	69.7	Low	53.8	Low	20 Å²	20	105.3 Å²	105.3	11%	0.107	54%	0.54	C	S	.	.			trans	-102	101.4	176.9	-167.9	-9.4	0	0	0	108.7	L435 Y436 R745	D433-L435 PolarHBondContact O-N 2.96Å; D433-L435 WeakPolarHBondContact OD1-CB 3.21Å; D433-L435 PolarHBondContact OD1-N 3.04Å; D433-Y436 HydrophobicContact CB-CD2 3.86Å; D433-Y436 VanDerWaalsContact CG-CD2 3.48Å; D433-Y436 PolarHBondContact O-N 2.83Å; D433-Y436 VanDerWaalsContact OD2-CD2 3.3Å; D433-Y436 WeakPolarHBondContact OD2-CD2 3.1Å; D433-Y436 VanDerWaalsContact OD2-CE2 3.26Å; D433-Y436 WeakPolarHBondContact OD2-CE2 3.49Å; D433-R745 IonicContact OD1-CZ 3.97Å; D433-R745 IonicContact OD1-NE 2.92Å; D433-R745 PolarHBondContact OD1-NE 3.14Å; D433-R745 IonicContact OD1-NH2 2.78Å; D433-R745 PolarHBondContact OD1-NH2 2.95Å; D433-R745 WeakPolarHBondContact OD2-CD 3.37Å; D433-R745 WeakPolarHBondContact OD2-CG 3.24Å; D433-R745 IonicContact OD2-CZ 3.51Å; D433-R745 IonicContact OD2-NE 2.65Å; D433-R745 PolarHBondContact OD2-NE 3.19Å
434	E	70.7	Confident	54.7	Low	134 Å²	134	96.1 Å²	96.1	63%	0.626	51%	0.508	S	S	*	.	G	3₁₀ helix	trans	-52.9	-27.5	-178.1	-164.5	-166	150.2	0	0	112.2	Y436 D437 K765	E434-Y436 PolarHBondContact O-N 3.28Å; E434-D437 WeakPolarHBondContact O-CB 3.15Å; E434-D437 PolarHBondContact O-N 2.58Å; E434-K765 PolarHBondContact O-NZ 2.78Å; E434-K765 IonicContact OE1-NZ 3.82Å
435	L	74.8	Confident	55.5	Low	12 Å²	12	92.6 Å²	92.6	6%	0.063	50%	0.497	C	S	.	.	G	3₁₀ helix	trans	-61.9	-25.2	177.3	-179.6	58.2	0	0	0	113.2	D433 R479 R745 T761 Y762 K765	D433-L435 PolarHBondContact O-N 2.96Å; D433-L435 WeakPolarHBondContact OD1-CB 3.21Å; D433-L435 PolarHBondContact OD1-N 3.04Å; L435-R479 PolarHBondContact O-NH1 3.41Å; L435-R745 VanDerWaalsContact CD2-NH1 3.29Å; L435-T761 HydrophobicContact CD1-CG2 4.05Å; L435-T761 HydrophobicContact CD2-CG2 4.08Å; L435-T761 HydrophobicContact CG-CG2 3.7Å; L435-Y762 HydrophobicContact CD1-CD2 4.39Å; L435-K765 HydrophobicContact CD1-CB 4.02Å; L435-K765 HydrophobicContact CD1-CD 3.77Å
436	Y	76.9	Confident	56.3	Low	13 Å²	13	86.5 Å²	86.5	5%	0.051	47%	0.469	C	S	.	.	G	3₁₀ helix	trans	-106.2	9.1	-178.7	-64.5	-91.7	0	0	0	112.9	D433 E434 R479 R754 T761	D433-Y436 HydrophobicContact CB-CD2 3.86Å; D433-Y436 VanDerWaalsContact CG-CD2 3.48Å; D433-Y436 PolarHBondContact O-N 2.83Å; D433-Y436 VanDerWaalsContact OD2-CD2 3.3Å; D433-Y436 WeakPolarHBondContact OD2-CD2 3.1Å; D433-Y436 VanDerWaalsContact OD2-CE2 3.26Å; D433-Y436 WeakPolarHBondContact OD2-CE2 3.49Å; E434-Y436 PolarHBondContact O-N 3.28Å; Y436-R479 WeakPolarHBondContact CD1-O 3.36Å; Y436-R479 WeakPolarHBondContact CE1-O 3.4Å; Y436-R754 HydrophobicContact CD2-CG 4.39Å; Y436-R754 HydrophobicContact CE1-CG 4.07Å; Y436-R754 HydrophobicContact CE2-CB 3.83Å; Y436-R754 HydrophobicContact CE2-CG 3.84Å; Y436-R754 WeakPolarHBondContact OH-CA 3.45Å; Y436-R754 PolarHBondContact OH-O 3.35Å; Y436-R754 VanDerWaalsContact OH-O 3.12Å; Y436-T761 HydrophobicContact CD1-CG2 4.17Å; Y436-T761 HydrophobicContact CE1-CG2 3.72Å; Y436-T761 HydrophobicContact CE2-CG2 4.47Å; Y436-T761 PolarHBondContact OH-OG1 2.64Å
437	D	69.3	Low	56.9	Low	33 Å²	33	84 Å²	84	18%	0.176	45%	0.45	C	S	.	.			trans	-71.7	137.9	171.7	-168.4	7.7	0	0	0	110.5	F432 E434 E439 R479	F432-D437 HydrophobicContact CE1-CB 4.15Å; F432-D437 HydrophobicContact CZ-CB 3.63Å; E434-D437 WeakPolarHBondContact O-CB 3.15Å; E434-D437 PolarHBondContact O-N 2.58Å; D437-E439 PolarHBondContact OD1-N 2.98Å; D437-R479 PolarHBondContact O-NH1 2.93Å; D437-R479 VanDerWaalsContact O-NH1 3.07Å; D437-R479 PolarHBondContact O-NH2 3.4Å
438	D	61.8	Low	57.4	Low	42 Å²	42	83.8 Å²	83.8	23%	0.225	43%	0.434	C	S	.	.			trans	-111.5	-15.9	-173.6	-65	-49.4	0	0	0	112.6	N440 E441 R479 R525	D438-N440 PolarHBondContact O-N 3.13Å; D438-E441 WeakPolarHBondContact O-CB 3.38Å; D438-E441 PolarHBondContact O-N 3.22Å; D438-R479 IonicContact OD1-CZ 3.67Å; D438-R479 IonicContact OD1-NH2 3.04Å; D438-R479 PolarHBondContact OD1-NH2 2.9Å; D438-R525 WeakPolarHBondContact OD2-CD 3.35Å; D438-R525 IonicContact OD2-CZ 2.84Å; D438-R525 IonicContact OD2-NE 2.84Å; D438-R525 IonicContact OD2-NH1 3.75Å; D438-R525 PolarHBondContact OD2-NH1 3.24Å
439	E	59.1	Low	58.1	Low	183 Å²	183	80 Å²	80	86%	0.855	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-18.6	178.7	-68.4	-168.8	179.2	0	0	112.5	D437	D437-E439 PolarHBondContact OD1-N 2.98Å
440	N	51.1	Low	59.2	Low	118 Å²	118	74.8 Å²	74.8	63%	0.631	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.7	18.6	178.6	-60.1	-63.3	0	0	0	113.5	D438 E442	D438-N440 PolarHBondContact O-N 3.13Å; N440-E442 PolarHBondContact O-N 3.34Å
441	E	55.6	Low	60	Low	55 Å²	55	70.2 Å²	70.2	26%	0.257	37%	0.371	S	S	.	.			trans	-73.9	78.5	175.7	-145.8	179.7	-147	0	0	109.2	D438 E443 R479 K530	D438-E441 WeakPolarHBondContact O-CB 3.38Å; D438-E441 PolarHBondContact O-N 3.22Å; E441-E443 PolarHBondContact O-N 3.25Å; E441-R479 IonicContact OE1-CZ 3.74Å; E441-R479 IonicContact OE1-NE 3.05Å; E441-R479 PolarHBondContact OE1-NE 2.9Å; E441-R479 VanDerWaalsContact OE1-NE 3.08Å; E441-R479 IonicContact OE1-NH2 2.63Å; E441-R479 PolarHBondContact OE1-NH2 3.36Å; E441-K530 IonicContact OE1-NZ 3.64Å; E441-K530 PolarHBondContact OE1-NZ 3.02Å; E441-K530 IonicContact OE2-NZ 3.34Å; E441-K530 PolarHBondContact OE2-NZ 2.9Å
442	E	52.5	Low	60.8	Low	180 Å²	180	72.7 Å²	72.7	84%	0.841	39%	0.39	S	S	*	.			trans	-50.6	113.1	160.3	-75.5	-177.5	-179.3	0	0	106.1	N440 L444	N440-E442 PolarHBondContact O-N 3.34Å; E442-L444 VanDerWaalsContact C-N 3.34Å; E442-L444 WeakPolarHBondContact O-CA 3.37Å; E442-L444 PolarHBondContact O-N 3.13Å
443	E	53.8	Low	61.6	Low	118 Å²	118	69 Å²	69	55%	0.551	38%	0.376	S	S	*	.			trans	-53.9	97.8	-167.7	-142.7	175.7	-147.6	0	0	109	E441 G445 S446 V528	E441-E443 PolarHBondContact O-N 3.25Å; E443-G445 WeakPolarHBondContact O-CA 3.46Å; E443-G445 PolarHBondContact O-N 3.07Å; E443-S446 PolarHBondContact O-N 3.09Å; E443-V528 HydrophobicContact CG-CG2 4.48Å; E443-V528 WeakPolarHBondContact OE1-CG2 3.45Å
444	L	51	Low	61.8	Low	44 Å²	44	69 Å²	69	23%	0.23	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-42.4	105.5	-166.5	-165.2	69.3	0	0	0	109.5	E442 S446 L764 I769	E442-L444 VanDerWaalsContact C-N 3.34Å; E442-L444 WeakPolarHBondContact O-CA 3.37Å; E442-L444 PolarHBondContact O-N 3.13Å; L444-S446 PolarHBondContact O-N 2.63Å; L444-L764 VanDerWaalsContact CD1-O 3.31Å; L444-L764 WeakPolarHBondContact CD1-O 3.36Å; L444-L764 HydrophobicContact CD2-CD2 4.1Å; L444-I769 HydrophobicContact CD1-CD1 4.42Å; L444-I769 HydrophobicContact CD2-CD1 3.5Å; L444-I769 HydrophobicContact CG-CD1 4.02Å
445	G	49.5	Very low	61.9	Low	51 Å²	51	66 Å²	66	53%	0.526	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	9.2	85.8	-165.7	0	0	0	0	0	114.5	E443 S449	E443-G445 WeakPolarHBondContact O-CA 3.46Å; E443-G445 PolarHBondContact O-N 3.07Å; G445-S449 PolarHBondContact O-OG 3.44Å
446	S	51.7	Low	62	Low	50 Å²	50	70.2 Å²	70.2	35%	0.35	39%	0.386	S	S	.	.			trans	23.7	110.8	168.6	163.2	0	0	0	0	113.2	E443 L444 Q448 S449	E443-S446 PolarHBondContact O-N 3.09Å; L444-S446 PolarHBondContact O-N 2.63Å; S446-Q448 CarbonylContact O-C 3.59Å; S446-Q448 PolarHBondContact O-N 3.29Å; S446-Q448 VanDerWaalsContact OG-CB 3.31Å; S446-Q448 WeakPolarHBondContact OG-CB 3.33Å; S446-Q448 PolarHBondContact OG-N 3.19Å; S446-Q448 PolarHBondContact OG-OE1 2.64Å; S446-S449 WeakPolarHBondContact O-CB 3.34Å; S446-S449 PolarHBondContact O-N 3.05Å; S446-S449 PolarHBondContact O-OG 3.4Å; S446-S449 VanDerWaalsContact O-OG 3.04Å
447	V	53.3	Low	61.9	Low	31 Å²	31	70.2 Å²	70.2	19%	0.188	39%	0.387	C	S	.	.	G	3₁₀ helix	trans	-44	-25.6	174.2	176.8	0	0	0	0	113.1	S449 H450 G451 I454 V528 T655	V447-S449 PolarHBondContact O-N 3.19Å; V447-H450 PolarHBondContact O-N 3.07Å; V447-G451 PolarHBondContact O-N 3.3Å; V447-I454 HydrophobicContact CG1-CD1 3.93Å; V447-V528 HydrophobicContact CG2-CG1 4.13Å; V447-T655 WeakPolarHBondContact CG1-O 3.45Å
448	Q	55	Low	62.2	Low	126 Å²	126	69.5 Å²	69.5	59%	0.589	38%	0.383	S	S	*	.	G	3₁₀ helix	trans	-58.7	-36.2	169.4	-76	102.3	-3.2	0	0	115.3	S446 H450 G451	S446-Q448 CarbonylContact O-C 3.59Å; S446-Q448 PolarHBondContact O-N 3.29Å; S446-Q448 VanDerWaalsContact OG-CB 3.31Å; S446-Q448 WeakPolarHBondContact OG-CB 3.33Å; S446-Q448 PolarHBondContact OG-N 3.19Å; S446-Q448 PolarHBondContact OG-OE1 2.64Å; Q448-H450 PolarHBondContact O-N 2.62Å; Q448-G451 PolarHBondContact O-N 3.4Å
449	S	60.5	Low	62.9	Low	73 Å²	73	71.8 Å²	71.8	51%	0.51	40%	0.402	S	S	.	.	G	3₁₀ helix	trans	-58.2	-31.2	178.4	76.1	0	0	0	0	112.3	G445 S446 V447	G445-S449 PolarHBondContact O-OG 3.44Å; S446-S449 WeakPolarHBondContact O-CB 3.34Å; S446-S449 PolarHBondContact O-N 3.05Å; S446-S449 PolarHBondContact O-OG 3.4Å; S446-S449 VanDerWaalsContact O-OG 3.04Å; V447-S449 PolarHBondContact O-N 3.19Å
450	H	65.6	Low	63.7	Low	32 Å²	32	68.6 Å²	68.6	15%	0.148	39%	0.387	C	S	.	.	G	3₁₀ helix	trans	-103.4	8.6	177.7	-61.4	-59.8	0	0	0	113.9	V447 Q448 S452 V453 I454 F475	V447-H450 PolarHBondContact O-N 3.07Å; Q448-H450 PolarHBondContact O-N 2.62Å; H450-S452 PolarHBondContact O-N 2.84Å; H450-S452 VanDerWaalsContact O-N 3.16Å; H450-V453 PolarHBondContact O-N 3.44Å; H450-I454 PolarHBondContact O-N 2.88Å; H450-F475 HydrophobicContact CB-CD1 4.13Å; H450-F475 HydrophobicContact CB-CD2 4.13Å; H450-F475 HydrophobicContact CB-CE1 3.54Å; H450-F475 HydrophobicContact CB-CE2 3.56Å; H450-F475 HydrophobicContact CB-CG 4.42Å; H450-F475 HydrophobicContact CB-CZ 3.25Å; H450-F475 AromaticContact CD2-CD1 3.83Å; H450-F475 AromaticContact CD2-CD2 3.63Å; H450-F475 AromaticContact CD2-CE2 3.98Å; H450-F475 AromaticContact CD2-CG 3.58Å; H450-F475 AromaticContact CG-CD1 3.83Å; H450-F475 AromaticContact CG-CE1 3.74Å; H450-F475 AromaticContact CG-CZ 3.87Å
451	G	66.1	Low	65	Low	17 Å²	17	64 Å²	64	18%	0.175	36%	0.362	C	S	.	.	H	α-helix	trans	-58.4	-31.2	-174.9	0	0	0	0	0	114.3	V447 Q448 I454 T455	V447-G451 PolarHBondContact O-N 3.3Å; Q448-G451 PolarHBondContact O-N 3.4Å; G451-I454 PolarHBondContact O-N 2.81Å; G451-T455 WeakPolarHBondContact O-CB 3.42Å; G451-T455 PolarHBondContact O-N 2.78Å; G451-T455 PolarHBondContact O-OG1 2.74Å
452	S	71.7	Confident	66	Low	90 Å²	90	71.2 Å²	71.2	63%	0.629	39%	0.387	S	S	*	.	H	α-helix	trans	-66.6	-40.7	176.3	60.4	0	0	0	0	112.6	H450 T455 H456	H450-S452 PolarHBondContact O-N 2.84Å; H450-S452 VanDerWaalsContact O-N 3.16Å; S452-T455 PolarHBondContact O-N 2.85Å; S452-H456 WeakPolarHBondContact O-CB 3.45Å; S452-H456 PolarHBondContact O-N 2.85Å
453	V	73.3	Confident	67.1	Low	27 Å²	27	65.3 Å²	65.3	16%	0.164	36%	0.361	C	S	.	.	H	α-helix	trans	-65.4	-43.7	177.3	178.5	0	0	0	0	110.3	H450 H456 L457 P473	H450-V453 PolarHBondContact O-N 3.44Å; V453-H456 PolarHBondContact O-N 3.21Å; V453-L457 HydrophobicContact CG1-CD1 4.26Å; V453-L457 WeakPolarHBondContact O-CB 3.34Å; V453-L457 WeakPolarHBondContact O-CG 3.23Å; V453-L457 PolarHBondContact O-N 3.29Å; V453-P473 HydrophobicContact CG1-CG 4.25Å
454	I	74.8	Confident	68.1	Low	19 Å²	19	61.8 Å²	61.8	10%	0.097	36%	0.356	C	S	.	.	H	α-helix	trans	-62.5	-49	176.5	-59.1	175.4	0	0	0	110	V447 H450 G451 H456 L457 L458 F475 I653	V447-I454 HydrophobicContact CG1-CD1 3.93Å; H450-I454 PolarHBondContact O-N 2.88Å; G451-I454 PolarHBondContact O-N 2.81Å; I454-H456 VanDerWaalsContact C-N 3.32Å; I454-H456 PolarHBondContact O-N 3.39Å; I454-L457 PolarHBondContact O-N 3.04Å; I454-L457 VanDerWaalsContact O-N 3.16Å; I454-L458 HydrophobicContact CG2-CD1 3.6Å; I454-L458 HydrophobicContact CG2-CG 3.98Å; I454-L458 WeakPolarHBondContact O-CB 3.34Å; I454-L458 VanDerWaalsContact O-CG 3.25Å; I454-L458 WeakPolarHBondContact O-CG 3.42Å; I454-L458 PolarHBondContact O-N 2.74Å; I454-F475 HydrophobicContact CD1-CE2 3.96Å; I454-F475 HydrophobicContact CD1-CZ 3.88Å; I454-F475 HydrophobicContact CG1-CE2 4.31Å; I454-F475 HydrophobicContact CG1-CZ 3.72Å; I454-I653 WeakPolarHBondContact CG2-O 3.49Å
455	T	73.3	Confident	69.5	Low	71 Å²	71	62.8 Å²	62.8	44%	0.436	36%	0.36	S	S	.	.	H	α-helix	trans	-60.3	-42.4	-179.2	-56.3	0	0	0	0	111.8	G451 S452 L458 S459	G451-T455 WeakPolarHBondContact O-CB 3.42Å; G451-T455 PolarHBondContact O-N 2.78Å; G451-T455 PolarHBondContact O-OG1 2.74Å; S452-T455 PolarHBondContact O-N 2.85Å; T455-L458 PolarHBondContact O-N 2.92Å; T455-S459 WeakPolarHBondContact O-CB 3.26Å; T455-S459 PolarHBondContact O-N 3.27Å
456	H	76.8	Confident	71	Confident	101 Å²	101	63.2 Å²	63.2	47%	0.468	35%	0.351	S	S	.	.	H	α-helix	trans	-65.1	-39.3	175.5	173.4	-95.1	0	0	0	112.8	S452 V453 I454 S459 Q460	S452-H456 WeakPolarHBondContact O-CB 3.45Å; S452-H456 PolarHBondContact O-N 2.85Å; V453-H456 PolarHBondContact O-N 3.21Å; I454-H456 VanDerWaalsContact C-N 3.32Å; I454-H456 PolarHBondContact O-N 3.39Å; H456-S459 PolarHBondContact O-OG 3.34Å; H456-Q460 PolarHBondContact CE1-NE2 3.01Å
457	L	74.4	Confident	72.3	Confident	14 Å²	14	61.3 Å²	61.3	7%	0.073	34%	0.337	C	S	.	.	H	α-helix	trans	-66.3	-45.6	175	-85.3	173.8	0	0	0	112.1	M348 V453 I454 S459 Q460 P473	M348-L457 HydrophobicContact CE-CD1 4.15Å; M348-L457 HydrophobicContact CE-CD2 3.26Å; M348-L457 HydrophobicContact CE-CG 3.84Å; V453-L457 HydrophobicContact CG1-CD1 4.26Å; V453-L457 WeakPolarHBondContact O-CB 3.34Å; V453-L457 WeakPolarHBondContact O-CG 3.23Å; V453-L457 PolarHBondContact O-N 3.29Å; I454-L457 PolarHBondContact O-N 3.04Å; I454-L457 VanDerWaalsContact O-N 3.16Å; L457-S459 VanDerWaalsContact C-N 3.29Å; L457-S459 PolarHBondContact O-N 3.09Å; L457-Q460 WeakPolarHBondContact O-CB 3.3Å; L457-Q460 PolarHBondContact O-N 2.98Å; L457-P473 HydrophobicContact CD1-CG 3.41Å; L457-P473 VanDerWaalsContact CD1-CG 3.41Å
458	L	76.4	Confident	73.1	Confident	18 Å²	18	61.4 Å²	61.4	9%	0.094	34%	0.338	C	S	.	.	H	α-helix	trans	-68.5	-28.9	-178.4	-65.3	-179.3	0	0	0	112.2	I454 T455 Q460 L461 F617 I653 L654	I454-L458 HydrophobicContact CG2-CD1 3.6Å; I454-L458 HydrophobicContact CG2-CG 3.98Å; I454-L458 WeakPolarHBondContact O-CB 3.34Å; I454-L458 VanDerWaalsContact O-CG 3.25Å; I454-L458 WeakPolarHBondContact O-CG 3.42Å; I454-L458 PolarHBondContact O-N 2.74Å; T455-L458 PolarHBondContact O-N 2.92Å; L458-Q460 PolarHBondContact O-N 2.79Å; L458-L461 HydrophobicContact CD2-CD1 3.47Å; L458-L461 VanDerWaalsContact CD2-CD1 3.47Å; L458-L461 WeakPolarHBondContact O-CB 3.5Å; L458-L461 PolarHBondContact O-N 3.01Å; L458-F617 HydrophobicContact CB-CZ 4.42Å; L458-F617 HydrophobicContact CD2-CD2 4.38Å; L458-F617 HydrophobicContact CD2-CE2 3.8Å; L458-F617 HydrophobicContact CD2-CZ 4.43Å; L458-I653 HydrophobicContact CD1-CB 4.29Å; L458-I653 HydrophobicContact CD1-CD1 3.54Å; L458-I653 HydrophobicContact CD1-CG1 3.61Å; L458-I653 HydrophobicContact CD2-CD1 4.01Å; L458-I653 HydrophobicContact CG-CD1 4.43Å; L458-L654 HydrophobicContact CD1-CD2 3.53Å; L458-L654 HydrophobicContact CD1-CG 4.21Å
459	S	74.7	Confident	73.7	Confident	89 Å²	89	64 Å²	64	62%	0.622	34%	0.342	S	S	*	.	H	α-helix	trans	-66.9	-19.2	176	73.8	0	0	0	0	113.5	T455 H456 L457 L461	T455-S459 WeakPolarHBondContact O-CB 3.26Å; T455-S459 PolarHBondContact O-N 3.27Å; H456-S459 PolarHBondContact O-OG 3.34Å; L457-S459 VanDerWaalsContact C-N 3.29Å; L457-S459 PolarHBondContact O-N 3.09Å; S459-L461 VanDerWaalsContact C-N 3.28Å
460	Q	76.8	Confident	74.2	Confident	116 Å²	116	62.5 Å²	62.5	54%	0.542	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-13.1	173.7	-59.1	175.1	2.8	0	0	112.2	H456 L457 L458	H456-Q460 PolarHBondContact CE1-NE2 3.01Å; L457-Q460 WeakPolarHBondContact O-CB 3.3Å; L457-Q460 PolarHBondContact O-N 2.98Å; L458-Q460 PolarHBondContact O-N 2.79Å
461	L	77.3	Confident	74.4	Confident	22 Å²	22	61.9 Å²	61.9	12%	0.115	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-89.9	138.6	-173.5	-50.9	-177.3	0	0	0	112.4	L458 S459 M465 L467 I470 F617	L458-L461 HydrophobicContact CD2-CD1 3.47Å; L458-L461 VanDerWaalsContact CD2-CD1 3.47Å; L458-L461 WeakPolarHBondContact O-CB 3.5Å; L458-L461 PolarHBondContact O-N 3.01Å; S459-L461 VanDerWaalsContact C-N 3.28Å; L461-M465 HydrophobicContact CB-CE 3.77Å; L461-M465 HydrophobicContact CD2-CE 3.19Å; L461-M465 HydrophobicContact CG-CE 4.06Å; L461-L467 HydrophobicContact CD1-CD2 3.65Å; L461-L467 HydrophobicContact CD2-CD2 4.17Å; L461-I470 HydrophobicContact CD2-CD1 3.07Å; L461-I470 HydrophobicContact CD2-CG1 4.44Å; L461-I470 HydrophobicContact CD2-CG2 4.41Å; L461-F617 HydrophobicContact CB-CD1 3.43Å; L461-F617 VanDerWaalsContact CB-CD1 3.43Å; L461-F617 HydrophobicContact CB-CD2 4.49Å; L461-F617 HydrophobicContact CB-CE1 3.51Å; L461-F617 HydrophobicContact CB-CG 3.93Å; L461-F617 HydrophobicContact CB-CZ 4.07Å; L461-F617 HydrophobicContact CD1-CB 4.26Å; L461-F617 HydrophobicContact CD1-CD1 4.08Å; L461-F617 HydrophobicContact CD1-CD2 3.63Å; L461-F617 HydrophobicContact CD1-CE1 4.27Å; L461-F617 HydrophobicContact CD1-CE2 3.84Å; L461-F617 HydrophobicContact CD1-CG 3.73Å; L461-F617 HydrophobicContact CD1-CZ 4.12Å; L461-F617 HydrophobicContact CG-CD1 4.43Å
462	R	77.5	Confident	75	Confident	206 Å²	206	63 Å²	63	78%	0.777	33%	0.328	S	S	*	.	P	Polyproline II helix	trans	-94.7	141.3	167.1	-61.1	-177.8	-176.6	-172.9	1.4	110	G464 M465 F617	R462-G464 PolarHBondContact O-N 3.06Å; R462-M465 WeakPolarHBondContact O-CB 3.32Å; R462-M465 PolarHBondContact O-N 2.75Å; R462-F617 WeakPolarHBondContact O-CD1 3.46Å
463	I	76.1	Confident	75.5	Confident	56 Å²	56	59.4 Å²	59.4	29%	0.287	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	134	173.2	-67.2	168.9	0	0	0	109	R122 M465 F617	R122-I463 HydrophobicContact CG-CB 4Å; R122-I463 HydrophobicContact CG-CD1 3.4Å; R122-I463 VanDerWaalsContact CG-CD1 3.4Å; R122-I463 HydrophobicContact CG-CG1 4.25Å; R122-I463 HydrophobicContact CG-CG2 4.06Å; I463-M465 VanDerWaalsContact C-N 3.33Å; I463-F617 HydrophobicContact CG1-CE1 4.48Å
464	G	74.6	Confident	76.1	Confident	45 Å²	45	58.3 Å²	58.3	46%	0.464	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.4	-9.9	-175.5	0	0	0	0	0	114.6	R462 F617	R462-G464 PolarHBondContact O-N 3.06Å; G464-F617 PolarHBondContact N-O 2.98Å
465	M	81.2	Confident	76.5	Confident	64 Å²	64	58.3 Å²	58.3	32%	0.315	30%	0.295	S	S	.	.			trans	-68.2	142	-179	-167.3	171.1	64	0	0	111.9	L461 R462 I463 I470 F617	L461-M465 HydrophobicContact CB-CE 3.77Å; L461-M465 HydrophobicContact CD2-CE 3.19Å; L461-M465 HydrophobicContact CG-CE 4.06Å; R462-M465 WeakPolarHBondContact O-CB 3.32Å; R462-M465 PolarHBondContact O-N 2.75Å; I463-M465 VanDerWaalsContact C-N 3.33Å; M465-I470 HydrophobicContact CE-CD1 3.38Å; M465-F617 PolarHBondContact O-N 2.98Å
466	D	79.7	Confident	77	Confident	61 Å²	61	56.8 Å²	56.8	33%	0.326	28%	0.284	S	S	.	.	B	Isolated β-bridge	trans	-71.8	124.6	175.6	-170.5	-14.5	0	0	0	110.6	T468 S615	D466-T468 WeakPolarHBondContact OD1-CB 3.24Å; D466-T468 PolarHBondContact OD1-N 3.14Å; D466-T468 PolarHBondContact OD1-OG1 3.4Å; D466-S615 WeakPolarHBondContact CA-O 3.39Å
467	L	79.5	Confident	77.6	Confident	10 Å²	10	52.5 Å²	52.5	5%	0.052	27%	0.265	C	S	.	.	S	Bend	trans	-85.3	-9	-179.8	-65.9	176.8	0	0	0	113.7	L461 R469 I470 S615 F617 I622	L461-L467 HydrophobicContact CD1-CD2 3.65Å; L461-L467 HydrophobicContact CD2-CD2 4.17Å; L467-R469 PolarHBondContact O-N 3.33Å; L467-I470 HydrophobicContact CD2-CD1 4.18Å; L467-I470 PolarHBondContact O-N 2.65Å; L467-S615 PolarHBondContact N-O 2.81Å; L467-F617 HydrophobicContact CD1-CB 4.37Å; L467-F617 HydrophobicContact CD2-CB 4Å; L467-F617 HydrophobicContact CG-CB 4.22Å; L467-I622 HydrophobicContact CD1-CB 4.06Å; L467-I622 HydrophobicContact CD1-CD1 3.6Å; L467-I622 HydrophobicContact CD1-CG1 3.58Å; L467-I622 HydrophobicContact CD1-CG2 3.41Å; L467-I622 VanDerWaalsContact CD1-CG2 3.41Å
468	T	69.5	Low	78.3	Confident	33 Å²	33	52.9 Å²	52.9	20%	0.202	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-33.9	-177.8	-52.5	0	0	0	0	111.2	S354 D466 I470	S354-T468 WeakPolarHBondContact CB-O 3.48Å; S354-T468 WeakPolarHBondContact OG-CG2 3.31Å; S354-T468 PolarHBondContact OG-O 3.16Å; D466-T468 WeakPolarHBondContact OD1-CB 3.24Å; D466-T468 PolarHBondContact OD1-N 3.14Å; D466-T468 PolarHBondContact OD1-OG1 3.4Å; T468-I470 VanDerWaalsContact C-N 3.32Å; T468-I470 PolarHBondContact O-N 3.12Å
469	R	68	Low	79	Confident	180 Å²	180	52.5 Å²	52.5	68%	0.679	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-0.6	-179.7	-63.3	-174.5	-178.7	-166.7	-1.9	114.5	S355 L467	S355-R469 VanDerWaalsContact CB-O 3.26Å; S355-R469 WeakPolarHBondContact CB-O 3.28Å; S355-R469 PolarHBondContact OG-O 3.09Å; L467-R469 PolarHBondContact O-N 3.33Å
470	I	71.6	Confident	79.8	Confident	41 Å²	41	48.4 Å²	48.4	21%	0.21	23%	0.234	C	C	.	.	S	Bend	trans	-108.8	131.1	-171.4	-59	-173.2	0	0	0	110.3	L461 M465 L467 T468 L472	L461-I470 HydrophobicContact CD2-CD1 3.07Å; L461-I470 HydrophobicContact CD2-CG1 4.44Å; L461-I470 HydrophobicContact CD2-CG2 4.41Å; M465-I470 HydrophobicContact CE-CD1 3.38Å; L467-I470 HydrophobicContact CD2-CD1 4.18Å; L467-I470 PolarHBondContact O-N 2.65Å; T468-I470 VanDerWaalsContact C-N 3.32Å; T468-I470 PolarHBondContact O-N 3.12Å; I470-L472 PolarHBondContact O-N 2.98Å
471	T	70	Confident	80.7	Confident	19 Å²	19	43 Å²	43	12%	0.117	21%	0.209	C	C	.	.			trans	-77.8	103.9	175.7	-41.8	0	0	0	0	109.5	P349 R351 S352	P349-T471 HydrophobicContact CB-CG2 4.01Å; P349-T471 HydrophobicContact CG-CG2 3.96Å; R351-T471 VanDerWaalsContact C-OG1 3.25Å; R351-T471 WeakPolarHBondContact CA-OG1 3.48Å; S352-T471 PolarHBondContact N-OG1 3.22Å
472	L	77.1	Confident	81.6	Confident	40 Å²	40	42.5 Å²	42.5	21%	0.209	21%	0.207	C	C	.	.			trans	-72.4	148.4	166.1	-58.3	176.9	0	0	0	110.1	I470 I476 K531	I470-L472 PolarHBondContact O-N 2.98Å; L472-I476 HydrophobicContact CB-CD1 3.5Å; L472-I476 HydrophobicContact CB-CG1 4.11Å; L472-I476 HydrophobicContact CD1-CD1 3.58Å; L472-I476 HydrophobicContact CG-CD1 4.09Å; L472-K531 HydrophobicContact CD1-CD 3.86Å
473	P	82.3	Confident	82.5	Confident	16 Å²	16	32.7 Å²	32.7	10%	0.104	17%	0.17	C	C	.	.			trans	-60.5	150.7	-179.7	-24.7	35.3	0	0	0	113.4	V453 L457 F475 I476	V453-P473 HydrophobicContact CG1-CG 4.25Å; L457-P473 HydrophobicContact CD1-CG 3.41Å; L457-P473 VanDerWaalsContact CD1-CG 3.41Å; P473-F475 VanDerWaalsContact C-N 3.29Å; P473-F475 HydrophobicContact CB-CD1 3.48Å; P473-F475 VanDerWaalsContact CB-CD1 3.48Å; P473-F475 HydrophobicContact CB-CE1 3.18Å; P473-F475 HydrophobicContact CB-CG 4.41Å; P473-F475 HydrophobicContact CB-CZ 3.9Å; P473-F475 HydrophobicContact CG-CD1 4.47Å; P473-F475 HydrophobicContact CG-CE1 3.7Å; P473-F475 HydrophobicContact CG-CZ 4.09Å; P473-F475 PolarHBondContact O-N 3.25Å; P473-I476 WeakPolarHBondContact O-CG1 3.29Å; P473-I476 PolarHBondContact O-N 3.39Å
474	T	87.2	Confident	83.4	Confident	3 Å²	3	30.1 Å²	30.1	2%	0.018	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-63.2	-31.6	-178.9	-49.4	0	0	0	0	113.2	I476 L477 L764 A772 S773 K776	T474-I476 PolarHBondContact O-N 3.32Å; T474-L477 HydrophobicContact CG2-CD1 3.89Å; T474-L477 VanDerWaalsContact O-CB 3.27Å; T474-L477 WeakPolarHBondContact O-CB 3.44Å; T474-L477 VanDerWaalsContact O-CG 3.26Å; T474-L477 WeakPolarHBondContact O-CG 3.48Å; T474-L477 PolarHBondContact O-N 2.99Å; T474-L477 VanDerWaalsContact O-N 3.11Å; T474-L764 HydrophobicContact CG2-CD2 4.33Å; T474-A772 HydrophobicContact CG2-CB 3.87Å; T474-S773 WeakPolarHBondContact CB-OG 3.42Å; T474-S773 PolarHBondContact OG1-OG 3.41Å; T474-K776 HydrophobicContact CG2-CD 4.39Å
475	F	83.8	Confident	84.3	Confident	20 Å²	20	30.1 Å²	30.1	9%	0.088	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-69.4	-17.7	-176.5	70.5	-98.6	0	0	0	114	H450 I454 P473 L477 I769	H450-F475 HydrophobicContact CB-CD1 4.13Å; H450-F475 HydrophobicContact CB-CD2 4.13Å; H450-F475 HydrophobicContact CB-CE1 3.54Å; H450-F475 HydrophobicContact CB-CE2 3.56Å; H450-F475 HydrophobicContact CB-CG 4.42Å; H450-F475 HydrophobicContact CB-CZ 3.25Å; H450-F475 AromaticContact CD2-CD1 3.83Å; H450-F475 AromaticContact CD2-CD2 3.63Å; H450-F475 AromaticContact CD2-CE2 3.98Å; H450-F475 AromaticContact CD2-CG 3.58Å; H450-F475 AromaticContact CG-CD1 3.83Å; H450-F475 AromaticContact CG-CE1 3.74Å; H450-F475 AromaticContact CG-CZ 3.87Å; I454-F475 HydrophobicContact CD1-CE2 3.96Å; I454-F475 HydrophobicContact CD1-CZ 3.88Å; I454-F475 HydrophobicContact CG1-CE2 4.31Å; I454-F475 HydrophobicContact CG1-CZ 3.72Å; P473-F475 VanDerWaalsContact C-N 3.29Å; P473-F475 HydrophobicContact CB-CD1 3.48Å; P473-F475 VanDerWaalsContact CB-CD1 3.48Å; P473-F475 HydrophobicContact CB-CE1 3.18Å; P473-F475 HydrophobicContact CB-CG 4.41Å; P473-F475 HydrophobicContact CB-CZ 3.9Å; P473-F475 HydrophobicContact CG-CD1 4.47Å; P473-F475 HydrophobicContact CG-CE1 3.7Å; P473-F475 HydrophobicContact CG-CZ 4.09Å; P473-F475 PolarHBondContact O-N 3.25Å; F475-L477 VanDerWaalsContact C-N 3.26Å; F475-I769 HydrophobicContact CB-CD1 3.94Å; F475-I769 HydrophobicContact CB-CG1 4.39Å; F475-I769 HydrophobicContact CB-CG2 4.11Å
476	I	83	Confident	85	Confident	38 Å²	38	27.2 Å²	27.2	20%	0.195	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-84.4	-1.8	175.2	67.6	138.9	0	0	0	112.8	L472 P473 T474 K530 K531	L472-I476 HydrophobicContact CB-CD1 3.5Å; L472-I476 HydrophobicContact CB-CG1 4.11Å; L472-I476 HydrophobicContact CD1-CD1 3.58Å; L472-I476 HydrophobicContact CG-CD1 4.09Å; P473-I476 WeakPolarHBondContact O-CG1 3.29Å; P473-I476 PolarHBondContact O-N 3.39Å; T474-I476 PolarHBondContact O-N 3.32Å; I476-K530 WeakPolarHBondContact O-CA 3.39Å; I476-K530 WeakPolarHBondContact O-CB 3.49Å; I476-K531 HydrophobicContact CD1-CB 4.2Å; I476-K531 PolarHBondContact O-N 3.45Å
477	L	89.4	Confident	85.8	Confident	12 Å²	12	24.3 Å²	24.3	6%	0.063	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	139.6	-176.2	-63.3	173.8	0	0	0	111.2	T474 F475 K531 Y533 L764 K776	T474-L477 HydrophobicContact CG2-CD1 3.89Å; T474-L477 VanDerWaalsContact O-CB 3.27Å; T474-L477 WeakPolarHBondContact O-CB 3.44Å; T474-L477 VanDerWaalsContact O-CG 3.26Å; T474-L477 WeakPolarHBondContact O-CG 3.48Å; T474-L477 PolarHBondContact O-N 2.99Å; T474-L477 VanDerWaalsContact O-N 3.11Å; F475-L477 VanDerWaalsContact C-N 3.26Å; L477-K531 CarbonylContact C-O 3.54Å; L477-K531 VanDerWaalsContact CA-O 3.22Å; L477-K531 WeakPolarHBondContact CA-O 3.44Å; L477-Y533 HydrophobicContact CB-CD1 4.21Å; L477-Y533 HydrophobicContact CB-CE1 3.95Å; L477-Y533 HydrophobicContact CD1-CD1 4.12Å; L477-Y533 HydrophobicContact CD1-CE1 4.17Å; L477-L764 HydrophobicContact CB-CD1 4.28Å; L477-K776 HydrophobicContact CD1-CD 3.7Å
478	E	88.6	Confident	86.4	Confident	22 Å²	22	24.4 Å²	24.4	10%	0.103	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	144.7	168.3	-160.1	179.6	169.8	0	0	109	R480 K530 K531 Y533	E478-R480 VanDerWaalsContact CD-NE 3.3Å; E478-R480 HydrophobicContact CG-CG 4.16Å; E478-R480 PolarHBondContact O-N 2.95Å; E478-R480 IonicContact OE1-CZ 3.49Å; E478-R480 IonicContact OE1-NE 3.85Å; E478-R480 PolarHBondContact OE1-NE 3.39Å; E478-R480 IonicContact OE1-NH2 3.02Å; E478-R480 PolarHBondContact OE1-NH2 3.08Å; E478-R480 IonicContact OE2-NE 3.69Å; E478-R480 IonicContact OE2-NH2 2.67Å; E478-K530 HydrophobicContact CB-CB 3.67Å; E478-K530 HydrophobicContact CG-CB 4.15Å; E478-K531 PolarHBondContact N-O 3.27Å; E478-Y533 WeakPolarHBondContact O-CE1 3.28Å; E478-Y533 VanDerWaalsContact O-CZ 3.31Å
479	R	91.4	Very high	87.5	Confident	10 Å²	10	24.3 Å²	24.3	4%	0.038	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	42.6	-175.4	-78.7	-173.1	-59.7	131.7	2.6	114	L435 Y436 D437 D438 E441 Y533 T761 L764	L435-R479 PolarHBondContact O-NH1 3.41Å; Y436-R479 WeakPolarHBondContact CD1-O 3.36Å; Y436-R479 WeakPolarHBondContact CE1-O 3.4Å; D437-R479 PolarHBondContact O-NH1 2.93Å; D437-R479 VanDerWaalsContact O-NH1 3.07Å; D437-R479 PolarHBondContact O-NH2 3.4Å; D438-R479 IonicContact OD1-CZ 3.67Å; D438-R479 IonicContact OD1-NH2 3.04Å; D438-R479 PolarHBondContact OD1-NH2 2.9Å; E441-R479 IonicContact OE1-CZ 3.74Å; E441-R479 IonicContact OE1-NE 3.05Å; E441-R479 PolarHBondContact OE1-NE 2.9Å; E441-R479 VanDerWaalsContact OE1-NE 3.08Å; E441-R479 IonicContact OE1-NH2 2.63Å; E441-R479 PolarHBondContact OE1-NH2 3.36Å; R479-Y533 WeakPolarHBondContact CA-OH 3.22Å; R479-T761 HydrophobicContact CB-CG2 3.9Å; R479-T761 HydrophobicContact CG-CG2 4.06Å; R479-L764 HydrophobicContact CG-CB 4.03Å; R479-L764 HydrophobicContact CG-CD1 4.28Å
480	R	92.3	Very high	88.9	Confident	2 Å²	2	16 Å²	16	1%	0.008	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.5	158.5	178.5	59.9	-176.9	178.8	160	-4.2	112.4	E478 E484 D488 G523 P532 Y533	E478-R480 VanDerWaalsContact CD-NE 3.3Å; E478-R480 HydrophobicContact CG-CG 4.16Å; E478-R480 PolarHBondContact O-N 2.95Å; E478-R480 IonicContact OE1-CZ 3.49Å; E478-R480 IonicContact OE1-NE 3.85Å; E478-R480 PolarHBondContact OE1-NE 3.39Å; E478-R480 IonicContact OE1-NH2 3.02Å; E478-R480 PolarHBondContact OE1-NH2 3.08Å; E478-R480 IonicContact OE2-NE 3.69Å; E478-R480 IonicContact OE2-NH2 2.67Å; R480-E484 HydrophobicContact CB-CB 4.37Å; R480-E484 HydrophobicContact CB-CG 4.41Å; R480-D488 IonicContact CZ-OD2 3.08Å; R480-D488 IonicContact NH1-OD1 2.77Å; R480-D488 PolarHBondContact NH1-OD1 3.47Å; R480-D488 IonicContact NH1-OD2 2.93Å; R480-D488 PolarHBondContact NH1-OD2 3.29Å; R480-D488 IonicContact NH2-OD2 2.77Å; R480-D488 PolarHBondContact NH2-OD2 3.12Å; R480-D488 VanDerWaalsContact NH2-OD2 3.07Å; R480-G523 PolarHBondContact NH2-O 2.92Å; R480-G523 VanDerWaalsContact NH2-O 3.15Å; R480-P532 CarbonylContact O-C 3.47Å; R480-P532 WeakPolarHBondContact O-CA 3.21Å; R480-P532 WeakPolarHBondContact O-CB 3.2Å; R480-Y533 WeakPolarHBondContact O-CD2 3.27Å; R480-Y533 PolarHBondContact O-N 2.92Å
481	S	95.5	Very high	89.8	Confident	2 Å²	2	14.5 Å²	14.5	1%	0.014	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	152.4	173.5	177.2	0	0	0	0	112.1	L483 E484 M485 E539	S481-L483 PolarHBondContact O-N 3.23Å; S481-L483 PolarHBondContact OG-N 2.74Å; S481-E484 PolarHBondContact O-N 2.82Å; S481-E484 VanDerWaalsContact O-N 3.09Å; S481-M485 PolarHBondContact O-N 3.28Å; S481-M485 VanDerWaalsContact O-N 3.07Å; S481-E539 WeakPolarHBondContact CB-OE1 3.4Å; S481-E539 PolarHBondContact OG-OE1 2.62Å
482	T	94.6	Very high	91	Very high	13 Å²	13	13.6 Å²	13.6	8%	0.08	7%	0.069	C	C	.	.	H	α-helix	trans	-55.3	-32.8	168.7	-59.9	0	0	0	0	111.8	E484 M485 Y486 P532 Y533	T482-E484 VanDerWaalsContact C-N 3.34Å; T482-E484 PolarHBondContact O-N 2.62Å; T482-M485 HydrophobicContact CG2-CE 4.15Å; T482-M485 WeakPolarHBondContact O-CB 3.41Å; T482-M485 PolarHBondContact O-N 2.92Å; T482-M485 VanDerWaalsContact O-N 3.13Å; T482-Y486 HydrophobicContact CG2-CD1 4.48Å; T482-Y486 HydrophobicContact CG2-CD2 4.24Å; T482-Y486 HydrophobicContact CG2-CE1 3.85Å; T482-Y486 HydrophobicContact CG2-CE2 3.57Å; T482-Y486 WeakPolarHBondContact CG2-OH 3.45Å; T482-Y486 PolarHBondContact O-N 3.43Å; T482-P532 WeakPolarHBondContact OG1-CG 3.39Å; T482-Y533 PolarHBondContact N-O 2.76Å; T482-Y533 PolarHBondContact OG1-O 3.47Å; T482-Y533 VanDerWaalsContact OG1-O 3.12Å
483	L	97.8	Very high	91.9	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-62.1	-41.2	176.4	-57.4	-173.7	0	0	0	112	S481 M485 Y486 A487 P535 E539 F541 A584 S594	S481-L483 PolarHBondContact O-N 3.23Å; S481-L483 PolarHBondContact OG-N 2.74Å; L483-M485 VanDerWaalsContact C-N 3.34Å; L483-Y486 PolarHBondContact O-N 3.18Å; L483-A487 PolarHBondContact O-N 3.38Å; L483-P535 HydrophobicContact CD1-CB 4.18Å; L483-P535 HydrophobicContact CD2-CB 4.16Å; L483-P535 HydrophobicContact CD2-CG 3.85Å; L483-P535 HydrophobicContact CG-CB 3.85Å; L483-P535 HydrophobicContact CG-CG 3.72Å; L483-E539 HydrophobicContact CD1-CB 4.05Å; L483-E539 HydrophobicContact CD1-CG 3.87Å; L483-E539 WeakPolarHBondContact CD1-O 3.3Å; L483-F541 HydrophobicContact CB-CB 3.72Å; L483-A584 HydrophobicContact CB-CB 4.07Å; L483-A584 HydrophobicContact CD2-CB 4.11Å; L483-A584 HydrophobicContact CG-CB 4.49Å; L483-S594 VanDerWaalsContact CD2-CB 3.48Å; L483-S594 WeakPolarHBondContact CD2-OG 3.36Å
484	E	95.5	Very high	92.5	Very high	1 Å²	1	14.6 Å²	14.6	1%	0.005	8%	0.075	C	C	.	.	H	α-helix	trans	-70	-32.5	174.5	176.7	167.5	169.3	0	0	111.9	R480 S481 T482 Y486 A487 R525 F541 K740 R754	R480-E484 HydrophobicContact CB-CB 4.37Å; R480-E484 HydrophobicContact CB-CG 4.41Å; S481-E484 PolarHBondContact O-N 2.82Å; S481-E484 VanDerWaalsContact O-N 3.09Å; T482-E484 VanDerWaalsContact C-N 3.34Å; T482-E484 PolarHBondContact O-N 2.62Å; E484-Y486 VanDerWaalsContact C-N 3.34Å; E484-A487 WeakPolarHBondContact O-CB 3.47Å; E484-A487 PolarHBondContact O-N 3.34Å; E484-R525 IonicContact OE1-NH2 3.97Å; E484-R525 PolarHBondContact OE1-NH2 2.79Å; E484-F541 HydrophobicContact CB-CD1 4.19Å; E484-F541 HydrophobicContact CB-CD2 3.87Å; E484-F541 HydrophobicContact CB-CE1 4.05Å; E484-F541 HydrophobicContact CB-CE2 3.71Å; E484-F541 HydrophobicContact CB-CG 4.1Å; E484-F541 HydrophobicContact CB-CZ 3.81Å; E484-F541 HydrophobicContact CG-CD2 4.42Å; E484-F541 HydrophobicContact CG-CE1 3.98Å; E484-F541 HydrophobicContact CG-CE2 3.76Å; E484-F541 HydrophobicContact CG-CZ 3.5Å; E484-F541 WeakPolarHBondContact OE2-CE2 3.46Å; E484-K740 HydrophobicContact CG-CD 4.3Å; E484-K740 WeakPolarHBondContact O-CE 3.41Å; E484-R754 IonicContact OE1-CZ 3.4Å; E484-R754 IonicContact OE1-NE 2.96Å; E484-R754 IonicContact OE1-NH2 3.06Å; E484-R754 PolarHBondContact OE1-NH2 3.5Å; E484-R754 IonicContact OE2-CZ 2.84Å; E484-R754 IonicContact OE2-NE 3.68Å; E484-R754 PolarHBondContact OE2-NE 3.01Å; E484-R754 IonicContact OE2-NH2 2.65Å
485	M	93.1	Very high	92.9	Very high	45 Å²	45	16.2 Å²	16.2	22%	0.222	8%	0.083	C	C	.	.	H	α-helix	trans	-64.1	-38.8	173.8	-172.7	-175.7	73.5	0	0	111.4	S481 T482 L483 A487 D488 P532	S481-M485 PolarHBondContact O-N 3.28Å; S481-M485 VanDerWaalsContact O-N 3.07Å; T482-M485 HydrophobicContact CG2-CE 4.15Å; T482-M485 WeakPolarHBondContact O-CB 3.41Å; T482-M485 PolarHBondContact O-N 2.92Å; T482-M485 VanDerWaalsContact O-N 3.13Å; L483-M485 VanDerWaalsContact C-N 3.34Å; M485-A487 VanDerWaalsContact C-N 3.26Å; M485-A487 PolarHBondContact O-N 3.06Å; M485-D488 WeakPolarHBondContact O-CB 3.5Å; M485-D488 VanDerWaalsContact O-CG 3.28Å; M485-D488 PolarHBondContact O-N 3.3Å; M485-P532 HydrophobicContact CE-CG 4.2Å; M485-P532 HydrophobicContact SD-CG 3.84Å
486	Y	95.2	Very high	93.6	Very high	4 Å²	4	15.2 Å²	15.2	2%	0.016	8%	0.079	C	C	.	.	H	α-helix	trans	-66.1	-27.6	176.7	-64.5	-26.7	0	0	0	113.5	T482 L483 E484 D488 F489 L611 M626	T482-Y486 HydrophobicContact CG2-CD1 4.48Å; T482-Y486 HydrophobicContact CG2-CD2 4.24Å; T482-Y486 HydrophobicContact CG2-CE1 3.85Å; T482-Y486 HydrophobicContact CG2-CE2 3.57Å; T482-Y486 WeakPolarHBondContact CG2-OH 3.45Å; T482-Y486 PolarHBondContact O-N 3.43Å; L483-Y486 PolarHBondContact O-N 3.18Å; E484-Y486 VanDerWaalsContact C-N 3.34Å; Y486-D488 PolarHBondContact O-N 2.97Å; Y486-F489 HydrophobicContact CD1-CE2 4.18Å; Y486-F489 WeakPolarHBondContact O-CD2 3.39Å; Y486-F489 PolarHBondContact O-N 3.49Å; Y486-L611 HydrophobicContact CD1-CD1 4.03Å; Y486-L611 HydrophobicContact CE1-CB 4.36Å; Y486-L611 HydrophobicContact CE1-CD1 3.84Å; Y486-L611 HydrophobicContact CE2-CB 3.93Å; Y486-L611 HydrophobicContact CE2-CD1 4.44Å; Y486-L611 HydrophobicContact CG-CD1 4.42Å; Y486-M626 HydrophobicContact CE1-CE 3.69Å
487	A	95.6	Very high	94.3	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.069	C	C	.	.	G	3₁₀ helix	trans	-64.4	-16.3	169.4	0	0	0	0	0	113.3	L483 E484 M485 F489 L490 F541 W545 F582 K740	L483-A487 PolarHBondContact O-N 3.38Å; E484-A487 WeakPolarHBondContact O-CB 3.47Å; E484-A487 PolarHBondContact O-N 3.34Å; M485-A487 VanDerWaalsContact C-N 3.26Å; M485-A487 PolarHBondContact O-N 3.06Å; A487-F489 PolarHBondContact O-N 3.28Å; A487-L490 PolarHBondContact O-N 2.96Å; A487-L490 VanDerWaalsContact O-N 3.16Å; A487-F541 HydrophobicContact CB-CD1 4.2Å; A487-F541 HydrophobicContact CB-CE1 3.84Å; A487-W545 HydrophobicContact CB-CH2 3.97Å; A487-W545 HydrophobicContact CB-CZ2 4.47Å; A487-W545 WeakPolarHBondContact O-CH2 3.33Å; A487-W545 WeakPolarHBondContact O-CZ2 3.38Å; A487-F582 HydrophobicContact CB-CD1 3.8Å; A487-F582 HydrophobicContact CB-CD2 4.41Å; A487-F582 HydrophobicContact CB-CE1 3.67Å; A487-F582 HydrophobicContact CB-CE2 4.27Å; A487-F582 HydrophobicContact CB-CG 4.18Å; A487-F582 HydrophobicContact CB-CZ 3.9Å; A487-K740 HydrophobicContact CB-CD 3.82Å
488	D	92.9	Very high	94.7	Very high	11 Å²	11	15.9 Å²	15.9	6%	0.059	9%	0.085	C	C	.	.	G	3₁₀ helix	trans	-64.4	-22.7	174	-64	-25.7	0	0	0	112.7	R480 M485 Y486 L490 A491 G523 K740	R480-D488 IonicContact CZ-OD2 3.08Å; R480-D488 IonicContact NH1-OD1 2.77Å; R480-D488 PolarHBondContact NH1-OD1 3.47Å; R480-D488 IonicContact NH1-OD2 2.93Å; R480-D488 PolarHBondContact NH1-OD2 3.29Å; R480-D488 IonicContact NH2-OD2 2.77Å; R480-D488 PolarHBondContact NH2-OD2 3.12Å; R480-D488 VanDerWaalsContact NH2-OD2 3.07Å; M485-D488 WeakPolarHBondContact O-CB 3.5Å; M485-D488 VanDerWaalsContact O-CG 3.28Å; M485-D488 PolarHBondContact O-N 3.3Å; Y486-D488 PolarHBondContact O-N 2.97Å; D488-L490 PolarHBondContact O-N 3.39Å; D488-L490 VanDerWaalsContact O-N 3.08Å; D488-A491 VanDerWaalsContact O-CB 3.23Å; D488-A491 WeakPolarHBondContact O-CB 3.35Å; D488-A491 PolarHBondContact O-N 3.38Å; D488-G523 WeakPolarHBondContact OD2-CA 3.35Å; D488-K740 WeakPolarHBondContact OD1-CE 3.4Å; D488-K740 IonicContact OD1-NZ 2.75Å; D488-K740 PolarHBondContact OD1-NZ 3.16Å
489	F	93.6	Very high	95.2	Very high	32 Å²	32	14.9 Å²	14.9	14%	0.14	8%	0.08	C	C	.	.	G	3₁₀ helix	trans	-61.4	-19.1	175.1	-73.9	-68.5	0	0	0	112.8	Y486 A487 W515 A519 F520 L611 F645	Y486-F489 HydrophobicContact CD1-CE2 4.18Å; Y486-F489 WeakPolarHBondContact O-CD2 3.39Å; Y486-F489 PolarHBondContact O-N 3.49Å; A487-F489 PolarHBondContact O-N 3.28Å; F489-W515 WeakPolarHBondContact O-CZ2 3.44Å; F489-W515 PolarHBondContact O-NE1 3.42Å; F489-W515 VanDerWaalsContact O-NE1 3.07Å; F489-A519 HydrophobicContact CD1-CB 3.9Å; F489-F520 HydrophobicContact CE1-CD1 4.24Å; F489-F520 AromaticContact CE1-CE1 3.69Å; F489-F520 HydrophobicContact CE1-CE1 3.69Å; F489-F520 HydrophobicContact CE1-CZ 4.18Å; F489-F520 HydrophobicContact CZ-CE1 4.48Å; F489-L611 HydrophobicContact CE2-CD1 4.38Å; F489-F645 HydrophobicContact CD1-CD1 4.49Å; F489-F645 HydrophobicContact CD1-CE1 4.14Å; F489-F645 HydrophobicContact CD2-CE1 4.27Å; F489-F645 AromaticContact CE1-CD1 3.7Å; F489-F645 HydrophobicContact CE1-CD1 3.7Å; F489-F645 AromaticContact CE1-CE1 3.77Å; F489-F645 HydrophobicContact CE1-CE1 3.77Å; F489-F645 HydrophobicContact CE2-CD1 4.09Å; F489-F645 AromaticContact CE2-CE1 3.91Å; F489-F645 HydrophobicContact CE2-CE1 3.91Å; F489-F645 HydrophobicContact CG-CE1 4.4Å; F489-F645 AromaticContact CZ-CD1 3.46Å; F489-F645 HydrophobicContact CZ-CD1 3.46Å; F489-F645 VanDerWaalsContact CZ-CD1 3.46Å; F489-F645 AromaticContact CZ-CE1 3.65Å; F489-F645 HydrophobicContact CZ-CE1 3.65Å
490	L	95.6	Very high	95.6	Very high	6 Å²	6	14.7 Å²	14.7	3%	0.031	8%	0.08	C	C	.	.	G	3₁₀ helix	trans	-106.4	22	175.5	-67.1	169.5	0	0	0	112.8	A487 D488 H492 A493 W496 W515 W545 V580 F582 A598	A487-L490 PolarHBondContact O-N 2.96Å; A487-L490 VanDerWaalsContact O-N 3.16Å; D488-L490 PolarHBondContact O-N 3.39Å; D488-L490 VanDerWaalsContact O-N 3.08Å; L490-H492 PolarHBondContact O-N 3.03Å; L490-H492 VanDerWaalsContact O-N 3.11Å; L490-A493 WeakPolarHBondContact O-CB 3.43Å; L490-A493 PolarHBondContact O-N 3.13Å; L490-W496 HydrophobicContact CD2-CB 4.01Å; L490-W496 HydrophobicContact CD2-CD2 3.8Å; L490-W496 HydrophobicContact CD2-CE3 4.24Å; L490-W496 HydrophobicContact CD2-CG 3.69Å; L490-W515 HydrophobicContact CD2-CZ2 4.18Å; L490-W545 HydrophobicContact CB-CE3 4.36Å; L490-W545 HydrophobicContact CB-CH2 3.62Å; L490-W545 HydrophobicContact CB-CZ2 4.09Å; L490-W545 HydrophobicContact CB-CZ3 3.78Å; L490-W545 HydrophobicContact CD1-CH2 4.34Å; L490-W545 HydrophobicContact CD1-CZ3 4Å; L490-V580 HydrophobicContact CD1-CG1 4.19Å; L490-F582 HydrophobicContact CD1-CB 4.39Å; L490-F582 HydrophobicContact CD1-CD2 3.83Å; L490-A598 HydrophobicContact CD1-CB 3.39Å
491	A	91.2	Very high	95.8	Very high	8 Å²	8	19.2 Å²	19.2	7%	0.066	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-26.1	173.8	0	0	0	0	0	113.6	D488 A522 T737	D488-A491 VanDerWaalsContact O-CB 3.23Å; D488-A491 WeakPolarHBondContact O-CB 3.35Å; D488-A491 PolarHBondContact O-N 3.38Å; A491-A522 HydrophobicContact CB-CB 3.19Å; A491-T737 HydrophobicContact CB-CG2 4.29Å
492	H	94.9	Very high	95.9	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.7	59	170	-57.2	-69	0	0	0	110.2	L490 D494 L495 W496 S518 H521 L735	L490-H492 PolarHBondContact O-N 3.03Å; L490-H492 VanDerWaalsContact O-N 3.11Å; H492-D494 VanDerWaalsContact CA-OD1 3.31Å; H492-D494 WeakPolarHBondContact CA-OD1 3.11Å; H492-D494 PolarHBondContact O-N 3.32Å; H492-L495 HydrophobicContact CB-CB 4.18Å; H492-L495 HydrophobicContact CB-CD1 3.92Å; H492-L495 HydrophobicContact CB-CG 4.06Å; H492-L495 PolarHBondContact O-N 3.12Å; H492-L495 VanDerWaalsContact O-N 3.08Å; H492-W496 PolarHBondContact O-N 2.86Å; H492-S518 WeakPolarHBondContact CB-OG 3.5Å; H492-S518 PolarHBondContact CD2-O 2.93Å; H492-S518 PolarHBondContact CD2-OG 3.45Å; H492-H521 AromaticContact CD2-NE2 3.82Å; H492-H521 AromaticContact CE1-NE2 3.65Å; H492-H521 AromaticContact NE2-CD2 3.84Å; H492-H521 AromaticContact NE2-CE1 3.49Å; H492-H521 PolarHBondContact NE2-CE1 3.2Å; H492-H521 AromaticContact NE2-NE2 2.85Å; H492-H521 PolarHBondContact NE2-NE2 2.97Å; H492-L735 WeakPolarHBondContact CE1-CD2 3.48Å; H492-L735 VanDerWaalsContact CE1-CG 3.42Å; H492-L735 WeakPolarHBondContact CE1-CG 3.27Å; H492-L735 VanDerWaalsContact ND1-CD2 3.3Å; H492-L735 WeakPolarHBondContact ND1-CD2 3.31Å; H492-L735 WeakPolarHBondContact ND1-CG 3.35Å
493	A	96.1	Very high	96.1	Very high	3 Å²	3	24.4 Å²	24.4	3%	0.025	14%	0.143	C	C	.	.	H	α-helix	trans	-55.1	-30.2	177.3	0	0	0	0	0	112.8	L490 W496 A497 W545 V580	L490-A493 WeakPolarHBondContact O-CB 3.43Å; L490-A493 PolarHBondContact O-N 3.13Å; A493-W496 PolarHBondContact O-N 3.46Å; A493-A497 VanDerWaalsContact O-CB 3.28Å; A493-A497 WeakPolarHBondContact O-CB 3.4Å; A493-A497 PolarHBondContact O-N 2.8Å; A493-W545 HydrophobicContact CB-CB 3.72Å; A493-W545 HydrophobicContact CB-CD2 4.16Å; A493-W545 HydrophobicContact CB-CE3 4.41Å; A493-W545 HydrophobicContact CB-CG 3.88Å; A493-V580 HydrophobicContact CB-CB 3.89Å; A493-V580 HydrophobicContact CB-CG1 4.27Å; A493-V580 HydrophobicContact CB-CG2 3.76Å
494	D	95	Very high	96.1	Very high	75 Å²	75	27.1 Å²	27.1	40%	0.401	16%	0.16	S	C	.	.	H	α-helix	trans	-63.4	-43.8	173.9	64.1	-41.2	0	0	0	112.5	H492 W496 V498 L547	H492-D494 VanDerWaalsContact CA-OD1 3.31Å; H492-D494 WeakPolarHBondContact CA-OD1 3.11Å; H492-D494 PolarHBondContact O-N 3.32Å; D494-W496 VanDerWaalsContact C-N 3.34Å; D494-V498 WeakPolarHBondContact O-CG2 3.32Å; D494-L547 HydrophobicContact CB-CD2 4.26Å
495	L	96.7	Very high	96.3	Very high	36 Å²	36	29.2 Å²	29.2	19%	0.188	17%	0.174	C	C	.	.	H	α-helix	trans	-68.6	-34.6	175.8	-64.8	-176.6	0	0	0	112.1	H492 V498 W515 I730 L735	H492-L495 HydrophobicContact CB-CB 4.18Å; H492-L495 HydrophobicContact CB-CD1 3.92Å; H492-L495 HydrophobicContact CB-CG 4.06Å; H492-L495 PolarHBondContact O-N 3.12Å; H492-L495 VanDerWaalsContact O-N 3.08Å; L495-V498 WeakPolarHBondContact O-CG2 3.42Å; L495-W515 HydrophobicContact CB-CB 4.17Å; L495-I730 HydrophobicContact CD1-CD1 4.21Å; L495-L735 HydrophobicContact CD1-CD2 4.02Å
496	W	98.1	Very high	96.5	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-68.7	-49.5	176.5	-175.7	74.6	0	0	0	111.8	L490 H492 A493 D494 V498 I499 W515 V580 H600 I605 V607	L490-W496 HydrophobicContact CD2-CB 4.01Å; L490-W496 HydrophobicContact CD2-CD2 3.8Å; L490-W496 HydrophobicContact CD2-CE3 4.24Å; L490-W496 HydrophobicContact CD2-CG 3.69Å; H492-W496 PolarHBondContact O-N 2.86Å; A493-W496 PolarHBondContact O-N 3.46Å; D494-W496 VanDerWaalsContact C-N 3.34Å; W496-V498 PolarHBondContact O-N 2.95Å; W496-V498 VanDerWaalsContact O-N 3.12Å; W496-I499 HydrophobicContact CG-CD1 4.4Å; W496-I499 WeakPolarHBondContact O-CB 3.09Å; W496-I499 WeakPolarHBondContact O-CD1 3.07Å; W496-I499 WeakPolarHBondContact O-CG1 3.23Å; W496-I499 PolarHBondContact O-N 2.7Å; W496-I499 VanDerWaalsContact O-N 3.13Å; W496-W515 VanDerWaalsContact CB-CD1 3.45Å; W496-W515 HydrophobicContact CB-CD2 4.3Å; W496-W515 HydrophobicContact CB-CG 3.87Å; W496-W515 AromaticContact CD1-CD2 3.6Å; W496-W515 AromaticContact CD1-CE2 3.46Å; W496-W515 VanDerWaalsContact CD1-CE2 3.46Å; W496-W515 AromaticContact CD1-CZ2 3.77Å; W496-W515 AromaticContact CD1-NE1 3.86Å; W496-W515 HydrophobicContact CG-CD2 4.33Å; W496-W515 HydrophobicContact CG-CG 4.37Å; W496-V580 HydrophobicContact CE3-CG1 3.94Å; W496-V580 HydrophobicContact CE3-CG2 4.02Å; W496-V580 HydrophobicContact CZ3-CG1 3.85Å; W496-V580 HydrophobicContact CZ3-CG2 4.22Å; W496-H600 HydrophobicContact CZ3-CB 3.98Å; W496-I605 HydrophobicContact CD2-CD1 3.97Å; W496-I605 HydrophobicContact CE3-CD1 4.43Å; W496-I605 HydrophobicContact CE3-CG2 4.18Å; W496-I605 HydrophobicContact CG-CD1 4.46Å; W496-I605 HydrophobicContact CH2-CB 4.22Å; W496-I605 HydrophobicContact CH2-CD1 4.25Å; W496-I605 HydrophobicContact CH2-CG1 3.78Å; W496-I605 HydrophobicContact CH2-CG2 3.79Å; W496-I605 HydrophobicContact CZ2-CB 4.46Å; W496-I605 HydrophobicContact CZ2-CD1 3.76Å; W496-I605 HydrophobicContact CZ2-CG1 3.53Å; W496-I605 HydrophobicContact CZ2-CG2 4.38Å; W496-I605 HydrophobicContact CZ3-CG1 4.39Å; W496-I605 HydrophobicContact CZ3-CG2 3.68Å; W496-I605 WeakPolarHBondContact O-CD1 3.38Å; W496-V607 HydrophobicContact CH2-CG1 4.42Å; W496-V607 HydrophobicContact CZ2-CB 3.96Å; W496-V607 HydrophobicContact CZ2-CG1 3.68Å
497	A	97.9	Very high	96.7	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-60.3	-29.7	-173.3	0	0	0	0	0	112.6	A493 P500 L547 V580 H600 N603	A493-A497 VanDerWaalsContact O-CB 3.28Å; A493-A497 WeakPolarHBondContact O-CB 3.4Å; A493-A497 PolarHBondContact O-N 2.8Å; A497-P500 VanDerWaalsContact O-CD 3.3Å; A497-P500 WeakPolarHBondContact O-CD 3.41Å; A497-L547 HydrophobicContact CB-CD1 3.6Å; A497-V580 HydrophobicContact CB-CG2 4.06Å; A497-H600 HydrophobicContact CB-CB 4.39Å; A497-N603 VanDerWaalsContact O-CB 3.26Å; A497-N603 WeakPolarHBondContact O-CB 3.44Å; A497-N603 PolarHBondContact O-ND2 2.93Å
498	V	97.4	Very high	96.8	Very high	64 Å²	64	34.2 Å²	34.2	39%	0.388	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-0.8	-177.4	-59	0	0	0	0	114.6	D494 L495 W496 P500 N501	D494-V498 WeakPolarHBondContact O-CG2 3.32Å; L495-V498 WeakPolarHBondContact O-CG2 3.42Å; W496-V498 PolarHBondContact O-N 2.95Å; W496-V498 VanDerWaalsContact O-N 3.12Å; V498-P500 VanDerWaalsContact C-N 3.34Å; V498-N501 WeakPolarHBondContact O-CB 3.42Å; V498-N501 PolarHBondContact O-N 2.72Å
499	I	98.8	Very high	97.1	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-51.9	-45.3	177.2	-64.9	166.3	0	0	0	112.3	W496 N501 G502 R508 C512 W515 I605 L634	W496-I499 HydrophobicContact CG-CD1 4.4Å; W496-I499 WeakPolarHBondContact O-CB 3.09Å; W496-I499 WeakPolarHBondContact O-CD1 3.07Å; W496-I499 WeakPolarHBondContact O-CG1 3.23Å; W496-I499 PolarHBondContact O-N 2.7Å; W496-I499 VanDerWaalsContact O-N 3.13Å; I499-N501 PolarHBondContact O-N 2.83Å; I499-N501 VanDerWaalsContact O-N 3.14Å; I499-G502 PolarHBondContact O-N 2.98Å; I499-R508 WeakPolarHBondContact O-CG 3.41Å; I499-C512 HydrophobicContact CD1-CB 4.26Å; I499-C512 HydrophobicContact CG2-CB 4.23Å; I499-W515 HydrophobicContact CD1-CB 4.2Å; I499-W515 HydrophobicContact CD1-CE3 4.45Å; I499-W515 HydrophobicContact CD1-CG 4.47Å; I499-I605 HydrophobicContact CB-CD1 4.16Å; I499-I605 HydrophobicContact CD1-CD1 4.31Å; I499-L634 HydrophobicContact CB-CD2 4.33Å; I499-L634 HydrophobicContact CG2-CD1 3.83Å; I499-L634 HydrophobicContact CG2-CD2 3.78Å; I499-L634 HydrophobicContact CG2-CG 4.48Å
500	P	98.7	Very high	97.3	Very high	6 Å²	6	32.7 Å²	32.7	4%	0.039	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-62.3	-20.2	178.7	-19.7	31.9	0	0	0	114.2	A497 V498 G502 N603 I605 L634 H637	A497-P500 VanDerWaalsContact O-CD 3.3Å; A497-P500 WeakPolarHBondContact O-CD 3.41Å; V498-P500 VanDerWaalsContact C-N 3.34Å; P500-G502 PolarHBondContact O-N 2.78Å; P500-N603 HydrophobicContact CG-CB 4.29Å; P500-N603 WeakPolarHBondContact CG-O 3.32Å; P500-I605 HydrophobicContact CG-CB 3.72Å; P500-I605 HydrophobicContact CG-CD1 4.18Å; P500-I605 HydrophobicContact CG-CG1 4.37Å; P500-I605 HydrophobicContact CG-CG2 4.2Å; P500-L634 HydrophobicContact CG-CD2 3.98Å; P500-H637 PolarHBondContact O-NE2 3.44Å
501	N	97.7	Very high	97.5	Very high	98 Å²	98	33.8 Å²	33.8	52%	0.524	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-77.9	-6.7	-174.7	-60.2	-8.1	0	0	0	112.5	V498 I499 S503	V498-N501 WeakPolarHBondContact O-CB 3.42Å; V498-N501 PolarHBondContact O-N 2.72Å; I499-N501 PolarHBondContact O-N 2.83Å; I499-N501 VanDerWaalsContact O-N 3.14Å; N501-S503 PolarHBondContact O-N 3.45Å
502	G	97.8	Very high	97.9	Very high	11 Å²	11	33.4 Å²	33.4	11%	0.113	19%	0.193	C	C	.	.			trans	-64.6	125.7	174.3	0	0	0	0	0	111.9	I499 P500 T504 R508	I499-G502 PolarHBondContact O-N 2.98Å; P500-G502 PolarHBondContact O-N 2.78Å; G502-T504 VanDerWaalsContact C-N 3.3Å; G502-T504 PolarHBondContact O-N 3.26Å; G502-R508 WeakPolarHBondContact O-CG 3.24Å; G502-R508 PolarHBondContact O-NH1 3.15Å
503	S	97.7	Very high	98	Very high	113 Å²	113	33.4 Å²	33.4	79%	0.79	19%	0.193	S	C	*	.	S	Bend	trans	-64.8	-30.1	-174.8	-51.6	0	0	0	0	113.9	N501	N501-S503 PolarHBondContact O-N 3.45Å
504	T	98.6	Very high	98.2	Very high	57 Å²	57	36.6 Å²	36.6	35%	0.35	20%	0.204	S	C	.	.	S	Bend	trans	-123.4	156.6	179.2	70	0	0	0	0	111.3	G502 R506 D507 R508	G502-T504 VanDerWaalsContact C-N 3.3Å; G502-T504 PolarHBondContact O-N 3.26Å; T504-R506 PolarHBondContact O-N 2.84Å; T504-R506 VanDerWaalsContact O-N 3.15Å; T504-D507 PolarHBondContact N-OD2 2.88Å; T504-D507 PolarHBondContact O-N 3.01Å; T504-D507 PolarHBondContact OG1-N 3.02Å; T504-D507 PolarHBondContact OG1-OD2 2.88Å; T504-R508 PolarHBondContact O-N 3.18Å
505	P	98.6	Very high	98.3	Very high	45 Å²	45	33.7 Å²	33.7	29%	0.292	19%	0.188	S	C	.	.	H	α-helix	trans	-52.3	-35.2	172	-28.5	35.1	0	0	0	113.2	R508 M509 T672 Y674	P505-R508 PolarHBondContact O-N 3.31Å; P505-M509 WeakPolarHBondContact O-CB 3.35Å; P505-M509 PolarHBondContact O-N 2.96Å; P505-T672 HydrophobicContact CB-CG2 3.81Å; P505-T672 HydrophobicContact CG-CG2 4.2Å; P505-Y674 HydrophobicContact CB-CD2 4.24Å; P505-Y674 HydrophobicContact CB-CE2 3.86Å
506	R	98.4	Very high	98.4	Very high	84 Å²	84	32 Å²	32	32%	0.317	18%	0.179	S	C	.	.	H	α-helix	trans	-60.1	-49.4	174.1	-171.6	179.9	-177.1	-92	5.6	111.6	T504 R508 M509 V510 Y674 F706	T504-R506 PolarHBondContact O-N 2.84Å; T504-R506 VanDerWaalsContact O-N 3.15Å; R506-R508 VanDerWaalsContact C-N 3.34Å; R506-M509 PolarHBondContact O-N 2.77Å; R506-V510 VanDerWaalsContact O-CG2 3.31Å; R506-V510 WeakPolarHBondContact O-CG2 3.1Å; R506-V510 PolarHBondContact O-N 2.77Å; R506-Y674 HydrophobicContact CB-CE1 3.97Å; R506-Y674 WeakPolarHBondContact CB-OH 3.44Å; R506-Y674 HydrophobicContact CG-CE1 4.07Å; R506-F706 HydrophobicContact CG-CE2 3.82Å; R506-F706 HydrophobicContact CG-CZ 3.88Å; R506-F706 VanDerWaalsContact NH2-CD2 3.34Å
507	D	98.6	Very high	98.3	Very high	61 Å²	61	32 Å²	32	33%	0.326	18%	0.179	S	C	.	.	H	α-helix	trans	-65.9	-39.8	-178.3	-58.2	-38.8	0	0	0	111	T504 V510 S511	T504-D507 PolarHBondContact N-OD2 2.88Å; T504-D507 PolarHBondContact O-N 3.01Å; T504-D507 PolarHBondContact OG1-N 3.02Å; T504-D507 PolarHBondContact OG1-OD2 2.88Å; D507-V510 PolarHBondContact O-N 2.79Å; D507-S511 PolarHBondContact O-N 3.02Å; D507-S511 PolarHBondContact O-OG 2.77Å
508	R	98.8	Very high	98.2	Very high	9 Å²	9	32 Å²	32	3%	0.034	18%	0.179	C	C	.	.	H	α-helix	trans	-64.7	-42.9	175.5	-63.5	-166.7	-67.8	-87.9	8.3	112.6	I499 G502 T504 P505 R506 V510 S511 C512 L634 H637 E639 Y641	I499-R508 WeakPolarHBondContact O-CG 3.41Å; G502-R508 WeakPolarHBondContact O-CG 3.24Å; G502-R508 PolarHBondContact O-NH1 3.15Å; T504-R508 PolarHBondContact O-N 3.18Å; P505-R508 PolarHBondContact O-N 3.31Å; R506-R508 VanDerWaalsContact C-N 3.34Å; R508-V510 VanDerWaalsContact C-N 3.34Å; R508-V510 PolarHBondContact O-N 2.96Å; R508-S511 PolarHBondContact O-N 3.37Å; R508-C512 WeakPolarHBondContact O-CB 3.44Å; R508-C512 PolarHBondContact O-N 2.83Å; R508-L634 HydrophobicContact CB-CD1 4.29Å; R508-L634 HydrophobicContact CG-CD1 4.49Å; R508-H637 VanDerWaalsContact CZ-ND1 3.28Å; R508-H637 PolarHBondContact NH1-CE1 3.26Å; R508-H637 PolarHBondContact NH1-ND1 3.44Å; R508-H637 PolarHBondContact NH2-ND1 2.86Å; R508-E639 IonicContact CZ-OE1 2.75Å; R508-E639 IonicContact CZ-OE2 2.65Å; R508-E639 IonicContact NE-OE1 3.5Å; R508-E639 IonicContact NE-OE2 3.3Å; R508-E639 PolarHBondContact NE-OE2 2.93Å; R508-E639 IonicContact NH2-OE1 3.8Å; R508-E639 PolarHBondContact NH2-OE1 3.25Å; R508-E639 IonicContact NH2-OE2 3.62Å; R508-E639 PolarHBondContact NH2-OE2 3.4Å; R508-E639 VanDerWaalsContact NH2-OE2 3.1Å; R508-Y641 WeakPolarHBondContact CB-OH 3.36Å
509	M	98.8	Very high	98	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-60	-42.9	173.1	176.6	55.9	86.1	0	0	111.7	P505 R506 C512 L513 Y641 I667 C669 Y674 A676 V697	P505-M509 WeakPolarHBondContact O-CB 3.35Å; P505-M509 PolarHBondContact O-N 2.96Å; R506-M509 PolarHBondContact O-N 2.77Å; M509-C512 PolarHBondContact O-N 2.93Å; M509-L513 PolarHBondContact O-N 3.5Å; M509-Y641 HydrophobicContact CB-CE1 4.23Å; M509-Y641 HydrophobicContact CE-CD1 3.88Å; M509-Y641 HydrophobicContact CE-CE1 3.77Å; M509-Y641 HydrophobicContact SD-CD1 4.27Å; M509-Y641 HydrophobicContact SD-CE1 4.1Å; M509-I667 HydrophobicContact CE-CG2 4.18Å; M509-I667 HydrophobicContact SD-CB 4.39Å; M509-I667 HydrophobicContact SD-CG2 3.95Å; M509-C669 HydrophobicContact CE-CB 4.49Å; M509-Y674 HydrophobicContact CB-CD1 4.12Å; M509-Y674 HydrophobicContact CB-CG 4.32Å; M509-Y674 VanDerWaalsContact CE-CB 3.44Å; M509-Y674 WeakPolarHBondContact CE-O 3.38Å; M509-Y674 HydrophobicContact CG-CD1 4.13Å; M509-Y674 HydrophobicContact CG-CG 4.43Å; M509-A676 HydrophobicContact SD-CB 4.28Å; M509-V697 HydrophobicContact CG-CG1 3.61Å
510	V	98.7	Very high	97.6	Very high	11 Å²	11	30 Å²	30	7%	0.067	17%	0.165	C	C	.	.	H	α-helix	trans	-65.1	-39.8	176.7	174	0	0	0	0	111.6	R506 D507 R508 L513 R514 F706 L707 W721 F729	R506-V510 VanDerWaalsContact O-CG2 3.31Å; R506-V510 WeakPolarHBondContact O-CG2 3.1Å; R506-V510 PolarHBondContact O-N 2.77Å; D507-V510 PolarHBondContact O-N 2.79Å; R508-V510 VanDerWaalsContact C-N 3.34Å; R508-V510 PolarHBondContact O-N 2.96Å; V510-L513 PolarHBondContact O-N 2.92Å; V510-R514 PolarHBondContact O-N 3.46Å; V510-F706 HydrophobicContact CG2-CE2 4.02Å; V510-F706 HydrophobicContact CG2-CZ 4.48Å; V510-L707 HydrophobicContact CG1-CD2 4.15Å; V510-L707 HydrophobicContact CG2-CD2 3.89Å; V510-W721 HydrophobicContact CG1-CH2 4.47Å; V510-W721 HydrophobicContact CG2-CH2 4.34Å; V510-F729 HydrophobicContact CG1-CE2 3.85Å; V510-F729 HydrophobicContact CG1-CZ 4.23Å
511	S	98.8	Very high	97.1	Very high	28 Å²	28	31.1 Å²	31.1	20%	0.196	17%	0.17	C	C	.	.	H	α-helix	trans	-66.1	-42.3	174.8	-68	0	0	0	0	112.3	D507 R508 L513 R514 W515	D507-S511 PolarHBondContact O-N 3.02Å; D507-S511 PolarHBondContact O-OG 2.77Å; R508-S511 PolarHBondContact O-N 3.37Å; S511-L513 VanDerWaalsContact C-N 3.35Å; S511-L513 PolarHBondContact O-N 3.22Å; S511-R514 WeakPolarHBondContact O-CB 3.24Å; S511-R514 PolarHBondContact O-N 3.38Å; S511-R514 VanDerWaalsContact O-N 3.13Å; S511-W515 PolarHBondContact O-N 2.76Å
512	C	98.8	Very high	95.9	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-59.8	-45.2	174.7	-170.3	0	0	0	0	111.2	I499 R508 M509 R514 W515 Y516 Y641	I499-C512 HydrophobicContact CD1-CB 4.26Å; I499-C512 HydrophobicContact CG2-CB 4.23Å; R508-C512 WeakPolarHBondContact O-CB 3.44Å; R508-C512 PolarHBondContact O-N 2.83Å; M509-C512 PolarHBondContact O-N 2.93Å; C512-R514 VanDerWaalsContact C-N 3.33Å; C512-R514 PolarHBondContact O-N 2.76Å; C512-W515 PolarHBondContact O-N 2.72Å; C512-Y516 WeakPolarHBondContact O-CB 2.96Å; C512-Y516 PolarHBondContact O-N 3.45Å; C512-Y641 HydrophobicContact CB-CD1 4.42Å
513	L	98.9	Very high	94.4	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-61.3	-41	174.1	179.7	65.3	0	0	0	111.9	M509 V510 S511 Y516 L517 I667 A676 I678 A695 V697 L707 V709 F729	M509-L513 PolarHBondContact O-N 3.5Å; V510-L513 PolarHBondContact O-N 2.92Å; S511-L513 VanDerWaalsContact C-N 3.35Å; S511-L513 PolarHBondContact O-N 3.22Å; L513-Y516 PolarHBondContact O-N 3.41Å; L513-L517 HydrophobicContact CD1-CD1 3.89Å; L513-L517 HydrophobicContact CD1-CD2 4.28Å; L513-L517 HydrophobicContact CD1-CG 3.83Å; L513-L517 HydrophobicContact CD2-CD1 4.47Å; L513-L517 HydrophobicContact CG-CD1 3.95Å; L513-L517 HydrophobicContact CG-CG 4.2Å; L513-L517 WeakPolarHBondContact O-CB 3.39Å; L513-L517 VanDerWaalsContact O-CG 3.31Å; L513-L517 WeakPolarHBondContact O-CG 3.45Å; L513-L517 PolarHBondContact O-N 3.33Å; L513-I667 HydrophobicContact CB-CD1 4.35Å; L513-I667 HydrophobicContact CD1-CD1 4.05Å; L513-A676 HydrophobicContact CD1-CB 4.4Å; L513-I678 HydrophobicContact CD1-CD1 4.14Å; L513-I678 HydrophobicContact CD1-CG1 3.87Å; L513-A695 HydrophobicContact CD1-CB 4.05Å; L513-A695 HydrophobicContact CD2-CB 4.13Å; L513-V697 HydrophobicContact CD2-CG2 3.49Å; L513-V697 VanDerWaalsContact CD2-CG2 3.49Å; L513-L707 HydrophobicContact CD2-CD2 4.4Å; L513-V709 HydrophobicContact CD2-CG2 4.03Å; L513-F729 HydrophobicContact CD2-CE1 4.47Å; L513-F729 HydrophobicContact CD2-CZ 4.28Å; L513-F729 HydrophobicContact CG-CE1 4.29Å; L513-F729 HydrophobicContact CG-CZ 4.31Å
514	R	98.5	Very high	93.1	Very high	71 Å²	71	26.9 Å²	26.9	27%	0.268	14%	0.139	S	C	.	.	H	α-helix	trans	-62.3	-46.9	179.3	-174.4	176.7	-65.9	97.5	-0.1	112.2	V510 S511 C512 S518 F729 I730	V510-R514 PolarHBondContact O-N 3.46Å; S511-R514 WeakPolarHBondContact O-CB 3.24Å; S511-R514 PolarHBondContact O-N 3.38Å; S511-R514 VanDerWaalsContact O-N 3.13Å; C512-R514 VanDerWaalsContact C-N 3.33Å; C512-R514 PolarHBondContact O-N 2.76Å; R514-S518 WeakPolarHBondContact O-CB 3.26Å; R514-S518 PolarHBondContact O-N 2.95Å; R514-S518 VanDerWaalsContact O-N 3.15Å; R514-F729 HydrophobicContact CB-CE1 3.81Å; R514-F729 HydrophobicContact CB-CZ 3.71Å; R514-F729 HydrophobicContact CG-CE1 4.19Å; R514-F729 HydrophobicContact CG-CZ 4.35Å; R514-F729 VanDerWaalsContact NH2-CE2 3.27Å; R514-I730 HydrophobicContact CG-CD1 4.35Å
515	W	97.7	Very high	91.6	Very high	13 Å²	13	28.2 Å²	28.2	5%	0.049	14%	0.138	C	C	.	.	H	α-helix	trans	-59.8	-49.4	173.2	161.4	71.5	0	0	0	110.8	F489 L490 L495 W496 I499 S511 C512 L517 S518 A519 I632	F489-W515 WeakPolarHBondContact O-CZ2 3.44Å; F489-W515 PolarHBondContact O-NE1 3.42Å; F489-W515 VanDerWaalsContact O-NE1 3.07Å; L490-W515 HydrophobicContact CD2-CZ2 4.18Å; L495-W515 HydrophobicContact CB-CB 4.17Å; W496-W515 VanDerWaalsContact CB-CD1 3.45Å; W496-W515 HydrophobicContact CB-CD2 4.3Å; W496-W515 HydrophobicContact CB-CG 3.87Å; W496-W515 AromaticContact CD1-CD2 3.6Å; W496-W515 AromaticContact CD1-CE2 3.46Å; W496-W515 VanDerWaalsContact CD1-CE2 3.46Å; W496-W515 AromaticContact CD1-CZ2 3.77Å; W496-W515 AromaticContact CD1-NE1 3.86Å; W496-W515 HydrophobicContact CG-CD2 4.33Å; W496-W515 HydrophobicContact CG-CG 4.37Å; I499-W515 HydrophobicContact CD1-CB 4.2Å; I499-W515 HydrophobicContact CD1-CE3 4.45Å; I499-W515 HydrophobicContact CD1-CG 4.47Å; S511-W515 PolarHBondContact O-N 2.76Å; C512-W515 PolarHBondContact O-N 2.72Å; W515-L517 VanDerWaalsContact C-N 3.33Å; W515-L517 PolarHBondContact O-N 3.44Å; W515-S518 WeakPolarHBondContact O-CA 3.36Å; W515-S518 WeakPolarHBondContact O-CB 3.36Å; W515-S518 PolarHBondContact O-N 3.39Å; W515-S518 PolarHBondContact O-OG 2.96Å; W515-A519 PolarHBondContact O-N 3.03Å; W515-I632 HydrophobicContact CE3-CD1 3.96Å; W515-I632 HydrophobicContact CH2-CD1 3.79Å; W515-I632 HydrophobicContact CZ3-CD1 3.29Å
516	Y	98.1	Very high	90.2	Very high	1 Å²	1	27.7 Å²	27.7	0%	0.004	14%	0.135	C	C	.	.	H	α-helix	trans	-57	-46.4	-177.7	179.5	-102.3	0	0	0	112	C512 L513 S518 A519 F520 V643 T644 T665 I667 I678 F680	C512-Y516 WeakPolarHBondContact O-CB 2.96Å; C512-Y516 PolarHBondContact O-N 3.45Å; L513-Y516 PolarHBondContact O-N 3.41Å; Y516-S518 PolarHBondContact O-N 2.86Å; Y516-A519 WeakPolarHBondContact O-CB 3.4Å; Y516-A519 PolarHBondContact O-N 2.91Å; Y516-F520 AromaticContact CD1-CE2 3.97Å; Y516-F520 HydrophobicContact CD1-CE2 3.97Å; Y516-F520 HydrophobicContact CD2-CE2 4.29Å; Y516-F520 HydrophobicContact CD2-CZ 4.34Å; Y516-F520 AromaticContact CE1-CE2 3.68Å; Y516-F520 HydrophobicContact CE1-CE2 3.68Å; Y516-F520 AromaticContact CE1-CZ 3.91Å; Y516-F520 HydrophobicContact CE1-CZ 3.91Å; Y516-F520 HydrophobicContact CE2-CE2 4Å; Y516-F520 AromaticContact CE2-CZ 3.67Å; Y516-F520 HydrophobicContact CE2-CZ 3.67Å; Y516-F520 HydrophobicContact CG-CE2 4.28Å; Y516-F520 AromaticContact CZ-CE2 3.7Å; Y516-F520 AromaticContact CZ-CZ 3.43Å; Y516-F520 VanDerWaalsContact CZ-CZ 3.43Å; Y516-F520 WeakPolarHBondContact O-CD2 3.14Å; Y516-F520 WeakPolarHBondContact O-CE2 3.4Å; Y516-F520 WeakPolarHBondContact OH-CZ 3.14Å; Y516-V643 HydrophobicContact CD2-CG1 3.48Å; Y516-V643 VanDerWaalsContact CD2-CG1 3.48Å; Y516-V643 HydrophobicContact CE2-CG1 3.24Å; Y516-T644 PolarHBondContact OH-O 3.17Å; Y516-T665 WeakPolarHBondContact OH-CB 3.29Å; Y516-T665 PolarHBondContact OH-OG1 2.89Å; Y516-I667 HydrophobicContact CD1-CD1 4.03Å; Y516-I667 HydrophobicContact CG-CD1 3.86Å; Y516-I667 HydrophobicContact CG-CG1 4.47Å; Y516-I678 HydrophobicContact CD1-CD1 4.47Å; Y516-I678 HydrophobicContact CE1-CD1 4.2Å; Y516-I678 HydrophobicContact CE1-CG1 4.38Å; Y516-F680 HydrophobicContact CE1-CE2 4.3Å; Y516-F680 HydrophobicContact CE1-CZ 4.36Å
517	L	97.9	Very high	88.8	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-70	-18.7	177.9	-63.8	-176	0	0	0	113.7	L513 W515 I678 L693 A695 V709 M717 F729	L513-L517 HydrophobicContact CD1-CD1 3.89Å; L513-L517 HydrophobicContact CD1-CD2 4.28Å; L513-L517 HydrophobicContact CD1-CG 3.83Å; L513-L517 HydrophobicContact CD2-CD1 4.47Å; L513-L517 HydrophobicContact CG-CD1 3.95Å; L513-L517 HydrophobicContact CG-CG 4.2Å; L513-L517 WeakPolarHBondContact O-CB 3.39Å; L513-L517 VanDerWaalsContact O-CG 3.31Å; L513-L517 WeakPolarHBondContact O-CG 3.45Å; L513-L517 PolarHBondContact O-N 3.33Å; W515-L517 VanDerWaalsContact C-N 3.33Å; W515-L517 PolarHBondContact O-N 3.44Å; L517-I678 HydrophobicContact CD2-CG2 4.09Å; L517-L693 HydrophobicContact CD1-CD1 4.44Å; L517-L693 HydrophobicContact CD2-CD1 4.2Å; L517-L693 HydrophobicContact CD2-CD2 3.65Å; L517-A695 HydrophobicContact CD1-CB 4.48Å; L517-V709 HydrophobicContact CD1-CB 4.26Å; L517-V709 HydrophobicContact CD1-CG1 3.8Å; L517-M717 HydrophobicContact CB-CE 3.86Å; L517-M717 HydrophobicContact CB-SD 4.16Å; L517-M717 HydrophobicContact CD1-SD 4.03Å; L517-M717 HydrophobicContact CG-SD 4.48Å; L517-M717 WeakPolarHBondContact O-CE 3.15Å; L517-F729 HydrophobicContact CD1-CD1 4.28Å; L517-F729 HydrophobicContact CD1-CE1 4.04Å
518	S	95.4	Very high	87.9	Confident	0 Å²	0	26 Å²	26	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-78.1	-19.3	174.8	80.5	0	0	0	0	113.5	H492 R514 W515 Y516 H521	H492-S518 WeakPolarHBondContact CB-OG 3.5Å; H492-S518 PolarHBondContact CD2-O 2.93Å; H492-S518 PolarHBondContact CD2-OG 3.45Å; R514-S518 WeakPolarHBondContact O-CB 3.26Å; R514-S518 PolarHBondContact O-N 2.95Å; R514-S518 VanDerWaalsContact O-N 3.15Å; W515-S518 WeakPolarHBondContact O-CA 3.36Å; W515-S518 WeakPolarHBondContact O-CB 3.36Å; W515-S518 PolarHBondContact O-N 3.39Å; W515-S518 PolarHBondContact O-OG 2.96Å; Y516-S518 PolarHBondContact O-N 2.86Å; S518-H521 PolarHBondContact O-CD2 3.34Å; S518-H521 PolarHBondContact O-NE2 3.33Å
519	A	92.3	Very high	87.1	Confident	2 Å²	2	26.5 Å²	26.5	2%	0.017	15%	0.146	C	C	.	.	S	Bend	trans	-77.1	-28.9	-166.8	0	0	0	0	0	114.4	F489 W515 Y516 H521	F489-A519 HydrophobicContact CD1-CB 3.9Å; W515-A519 PolarHBondContact O-N 3.03Å; Y516-A519 WeakPolarHBondContact O-CB 3.4Å; Y516-A519 PolarHBondContact O-N 2.91Å; A519-H521 PolarHBondContact O-N 3.35Å
520	F	91.7	Very high	86.5	Confident	19 Å²	19	28.4 Å²	28.4	8%	0.083	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-23	-165.3	-64.9	-76.4	0	0	0	115.2	F489 Y516 P646 L661 F680 W713	F489-F520 HydrophobicContact CE1-CD1 4.24Å; F489-F520 AromaticContact CE1-CE1 3.69Å; F489-F520 HydrophobicContact CE1-CE1 3.69Å; F489-F520 HydrophobicContact CE1-CZ 4.18Å; F489-F520 HydrophobicContact CZ-CE1 4.48Å; Y516-F520 AromaticContact CD1-CE2 3.97Å; Y516-F520 HydrophobicContact CD1-CE2 3.97Å; Y516-F520 HydrophobicContact CD2-CE2 4.29Å; Y516-F520 HydrophobicContact CD2-CZ 4.34Å; Y516-F520 AromaticContact CE1-CE2 3.68Å; Y516-F520 HydrophobicContact CE1-CE2 3.68Å; Y516-F520 AromaticContact CE1-CZ 3.91Å; Y516-F520 HydrophobicContact CE1-CZ 3.91Å; Y516-F520 HydrophobicContact CE2-CE2 4Å; Y516-F520 AromaticContact CE2-CZ 3.67Å; Y516-F520 HydrophobicContact CE2-CZ 3.67Å; Y516-F520 HydrophobicContact CG-CE2 4.28Å; Y516-F520 AromaticContact CZ-CE2 3.7Å; Y516-F520 AromaticContact CZ-CZ 3.43Å; Y516-F520 VanDerWaalsContact CZ-CZ 3.43Å; Y516-F520 WeakPolarHBondContact O-CD2 3.14Å; Y516-F520 WeakPolarHBondContact O-CE2 3.4Å; Y516-F520 WeakPolarHBondContact OH-CZ 3.14Å; F520-P646 HydrophobicContact CD1-CG 4.23Å; F520-P646 HydrophobicContact CE1-CG 3.6Å; F520-P646 HydrophobicContact CZ-CG 4.12Å; F520-L661 HydrophobicContact CB-CD1 3.86Å; F520-L661 HydrophobicContact CD1-CD1 3.64Å; F520-L661 HydrophobicContact CE1-CD1 4.49Å; F520-L661 HydrophobicContact CG-CD1 3.93Å; F520-F680 HydrophobicContact CD2-CE1 4.04Å; F520-F680 AromaticContact CD2-CZ 3.8Å; F520-F680 HydrophobicContact CD2-CZ 3.8Å; F520-F680 HydrophobicContact CE1-CZ 4.36Å; F520-F680 HydrophobicContact CE2-CE1 4.25Å; F520-F680 HydrophobicContact CE2-CE2 4.48Å; F520-F680 AromaticContact CE2-CZ 3.55Å; F520-F680 HydrophobicContact CE2-CZ 3.55Å; F520-F680 HydrophobicContact CG-CE1 4.24Å; F520-F680 HydrophobicContact CG-CZ 4.32Å; F520-F680 AromaticContact CZ-CZ 3.86Å; F520-F680 HydrophobicContact CZ-CZ 3.86Å; F520-W713 HydrophobicContact CB-CE3 4.01Å; F520-W713 HydrophobicContact CB-CZ3 4.47Å
521	H	86.7	Confident	86	Confident	31 Å²	31	31 Å²	31	14%	0.144	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-33	179.8	78.7	91.3	0	0	0	112.4	H492 S518 A519 G523 R524 N714 T732	H492-H521 AromaticContact CD2-NE2 3.82Å; H492-H521 AromaticContact CE1-NE2 3.65Å; H492-H521 AromaticContact NE2-CD2 3.84Å; H492-H521 AromaticContact NE2-CE1 3.49Å; H492-H521 PolarHBondContact NE2-CE1 3.2Å; H492-H521 AromaticContact NE2-NE2 2.85Å; H492-H521 PolarHBondContact NE2-NE2 2.97Å; S518-H521 PolarHBondContact O-CD2 3.34Å; S518-H521 PolarHBondContact O-NE2 3.33Å; A519-H521 PolarHBondContact O-N 3.35Å; H521-G523 PolarHBondContact O-N 3.27Å; H521-R524 PolarHBondContact O-N 3.46Å; H521-N714 HydrophobicContact CB-CB 4.49Å; H521-T732 WeakPolarHBondContact CD2-CB 3.42Å; H521-T732 PolarHBondContact CE1-O 3.47Å; H521-T732 VanDerWaalsContact CE1-O 3.3Å
522	A	73.3	Confident	85.6	Confident	20 Å²	20	30.3 Å²	30.3	17%	0.165	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-21.9	-174	0	0	0	0	0	113.5	A491 R524 T737	A491-A522 HydrophobicContact CB-CB 3.19Å; A522-R524 PolarHBondContact O-N 3.5Å; A522-T737 HydrophobicContact CB-CG2 4.18Å
523	G	66.8	Low	85.3	Confident	28 Å²	28	30.4 Å²	30.4	29%	0.289	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-8.1	175.9	0	0	0	0	0	114.8	R480 D488 H521	R480-G523 PolarHBondContact NH2-O 2.92Å; R480-G523 VanDerWaalsContact NH2-O 3.15Å; D488-G523 WeakPolarHBondContact OD2-CA 3.35Å; H521-G523 PolarHBondContact O-N 3.27Å
524	R	69.6	Low	85	Confident	85 Å²	85	33.4 Å²	33.4	32%	0.321	18%	0.177	S	C	.	.			trans	-107.6	79.8	-172.3	-62.2	-157.4	-64.5	-166.6	-1.1	112.6	H521 A522 D691 N714	H521-R524 PolarHBondContact O-N 3.46Å; A522-R524 PolarHBondContact O-N 3.5Å; R524-D691 IonicContact CZ-OD2 3.71Å; R524-D691 IonicContact NH1-OD1 2.57Å; R524-D691 IonicContact NH1-OD2 2.78Å; R524-D691 PolarHBondContact NH1-OD2 3.32Å; R524-D691 IonicContact NH2-OD2 3.73Å; R524-D691 PolarHBondContact NH2-OD2 3.45Å; R524-N714 PolarHBondContact NH2-ND2 3.39Å
525	R	66.2	Low	84.8	Confident	84 Å²	84	30.6 Å²	30.6	32%	0.317	17%	0.168	S	C	.	.	S	Bend	trans	-73.9	-32.7	178.8	-53.2	-160.3	-170.4	176.5	4.2	113.3	D438 E484	D438-R525 WeakPolarHBondContact OD2-CD 3.35Å; D438-R525 IonicContact OD2-CZ 2.84Å; D438-R525 IonicContact OD2-NE 2.84Å; D438-R525 IonicContact OD2-NH1 3.75Å; D438-R525 PolarHBondContact OD2-NH1 3.24Å; E484-R525 IonicContact OE1-NH2 3.97Å; E484-R525 PolarHBondContact OE1-NH2 2.79Å
526	S	70	Confident	84.7	Confident	35 Å²	35	30.4 Å²	30.4	25%	0.245	17%	0.168	C	C	.	.	S	Bend	trans	-117.9	152.9	174.4	58	0	0	0	0	112	V528	S526-V528 VanDerWaalsContact C-N 3.26Å; S526-V528 PolarHBondContact OG-O 2.93Å
527	S	69.4	Low	84.7	Confident	101 Å²	101	31.3 Å²	31.3	71%	0.706	17%	0.172	S	C	*	.	S	Bend	trans	-66.4	-31.3	170.6	54.2	0	0	0	0	112.1
528	V	80.4	Confident	84.7	Confident	8 Å²	8	31.4 Å²	31.4	5%	0.048	17%	0.173	C	C	.	.	S	Bend	trans	-82.9	131	177.5	-175.3	0	0	0	0	110.3	E443 V447 S526 K530 V656 P657	E443-V528 HydrophobicContact CG-CG2 4.48Å; E443-V528 WeakPolarHBondContact OE1-CG2 3.45Å; V447-V528 HydrophobicContact CG2-CG1 4.13Å; S526-V528 VanDerWaalsContact C-N 3.26Å; S526-V528 PolarHBondContact OG-O 2.93Å; V528-K530 PolarHBondContact O-N 3.33Å; V528-V656 HydrophobicContact CG2-CG1 3.79Å; V528-P657 CarbonylContact C-O 3.57Å; V528-P657 WeakPolarHBondContact CA-O 3.26Å; V528-P657 HydrophobicContact CG1-CG 3.89Å
529	A	81.7	Confident	84.8	Confident	19 Å²	19	31.4 Å²	31.4	16%	0.157	17%	0.173	C	C	.	.			trans	-69.1	120.3	173.5	0	0	0	0	0	110.7	P657 I659	A529-P657 HydrophobicContact CB-CB 4.1Å; A529-P657 HydrophobicContact CB-CG 4.49Å; A529-P657 PolarHBondContact N-O 3.41Å; A529-I659 HydrophobicContact CB-CD1 3.67Å; A529-I659 HydrophobicContact CB-CG1 3.65Å
530	K	85.9	Confident	85.1	Confident	40 Å²	40	31.3 Å²	31.3	17%	0.174	17%	0.173	C	C	.	.			trans	-117.4	160.8	171.6	-67.4	178.3	177.5	173.2	0	109.5	E441 I476 E478 V528	E441-K530 IonicContact OE1-NZ 3.64Å; E441-K530 PolarHBondContact OE1-NZ 3.02Å; E441-K530 IonicContact OE2-NZ 3.34Å; E441-K530 PolarHBondContact OE2-NZ 2.9Å; I476-K530 WeakPolarHBondContact O-CA 3.39Å; I476-K530 WeakPolarHBondContact O-CB 3.49Å; E478-K530 HydrophobicContact CB-CB 3.67Å; E478-K530 HydrophobicContact CG-CB 4.15Å; V528-K530 PolarHBondContact O-N 3.33Å
531	K	86.9	Confident	85.5	Confident	65 Å²	65	30.4 Å²	30.4	28%	0.283	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	125.3	177	-175	-174.6	168.2	-175.8	0	109.9	L472 I476 L477 E478 N534	L472-K531 HydrophobicContact CD1-CD 3.86Å; I476-K531 HydrophobicContact CD1-CB 4.2Å; I476-K531 PolarHBondContact O-N 3.45Å; L477-K531 CarbonylContact C-O 3.54Å; L477-K531 VanDerWaalsContact CA-O 3.22Å; L477-K531 WeakPolarHBondContact CA-O 3.44Å; E478-K531 PolarHBondContact N-O 3.27Å; K531-N534 WeakPolarHBondContact CE-OD1 3.48Å; K531-N534 PolarHBondContact NZ-OD1 3.12Å
532	P	91.3	Very high	86	Confident	15 Å²	15	30 Å²	30	10%	0.097	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	163.5	173.9	29.9	-38.1	0	0	0	112	R480 T482 M485 N534	R480-P532 CarbonylContact O-C 3.47Å; R480-P532 WeakPolarHBondContact O-CA 3.21Å; R480-P532 WeakPolarHBondContact O-CB 3.2Å; T482-P532 WeakPolarHBondContact OG1-CG 3.39Å; M485-P532 HydrophobicContact CE-CG 4.2Å; M485-P532 HydrophobicContact SD-CG 3.84Å; P532-N534 PolarHBondContact O-N 3.3Å
533	Y	92.8	Very high	87.1	Confident	2 Å²	2	29 Å²	29	1%	0.008	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	127.7	173.3	-44.8	-44.1	0	0	0	109.9	L477 E478 R479 R480 T482 P535 W757 V760 T761 L764	L477-Y533 HydrophobicContact CB-CD1 4.21Å; L477-Y533 HydrophobicContact CB-CE1 3.95Å; L477-Y533 HydrophobicContact CD1-CD1 4.12Å; L477-Y533 HydrophobicContact CD1-CE1 4.17Å; E478-Y533 WeakPolarHBondContact O-CE1 3.28Å; E478-Y533 VanDerWaalsContact O-CZ 3.31Å; R479-Y533 WeakPolarHBondContact CA-OH 3.22Å; R480-Y533 WeakPolarHBondContact O-CD2 3.27Å; R480-Y533 PolarHBondContact O-N 2.92Å; T482-Y533 PolarHBondContact N-O 2.76Å; T482-Y533 PolarHBondContact OG1-O 3.47Å; T482-Y533 VanDerWaalsContact OG1-O 3.12Å; Y533-P535 WeakPolarHBondContact O-CD 3.38Å; Y533-W757 HydrophobicContact CD1-CE3 4.26Å; Y533-W757 HydrophobicContact CD1-CZ3 4.46Å; Y533-W757 HydrophobicContact CD2-CB 3.73Å; Y533-W757 AromaticContact CD2-CD1 3.96Å; Y533-W757 AromaticContact CD2-CD2 3.48Å; Y533-W757 HydrophobicContact CD2-CD2 3.48Å; Y533-W757 VanDerWaalsContact CD2-CD2 3.48Å; Y533-W757 AromaticContact CD2-CE3 3.81Å; Y533-W757 HydrophobicContact CD2-CE3 3.81Å; Y533-W757 AromaticContact CD2-CG 3.44Å; Y533-W757 HydrophobicContact CD2-CG 3.44Å; Y533-W757 VanDerWaalsContact CD2-CG 3.44Å; Y533-W757 HydrophobicContact CE2-CB 3.67Å; Y533-W757 HydrophobicContact CE2-CD2 4.18Å; Y533-W757 HydrophobicContact CE2-CE3 4.3Å; Y533-W757 AromaticContact CE2-CG 3.93Å; Y533-W757 HydrophobicContact CE2-CG 3.93Å; Y533-W757 AromaticContact CG-CD2 3.77Å; Y533-W757 HydrophobicContact CG-CD2 3.77Å; Y533-W757 AromaticContact CG-CE3 3.79Å; Y533-W757 HydrophobicContact CG-CE3 3.79Å; Y533-W757 HydrophobicContact CG-CG 4.22Å; Y533-W757 HydrophobicContact CG-CZ2 4.49Å; Y533-W757 HydrophobicContact CG-CZ3 4.18Å; Y533-V760 HydrophobicContact CE1-CG1 3.97Å; Y533-T761 WeakPolarHBondContact CE2-OG1 3.19Å; Y533-T761 WeakPolarHBondContact OH-CA 3.43Å; Y533-T761 PolarHBondContact OH-OG1 3.05Å; Y533-L764 HydrophobicContact CE1-CD1 3.97Å; Y533-L764 WeakPolarHBondContact OH-CD1 3.39Å
534	N	91.8	Very high	88.6	Confident	63 Å²	63	29 Å²	29	34%	0.337	15%	0.149	S	C	.	.	P	Polyproline II helix	trans	-61.9	119.3	168.8	-77.8	11.2	0	0	0	107.8	K531 P532 W757	K531-N534 WeakPolarHBondContact CE-OD1 3.48Å; K531-N534 PolarHBondContact NZ-OD1 3.12Å; P532-N534 PolarHBondContact O-N 3.3Å; N534-W757 WeakPolarHBondContact O-CZ2 3.44Å
535	P	95.7	Very high	89.8	Confident	12 Å²	12	25 Å²	25	8%	0.078	14%	0.135	C	C	.	.	P	Polyproline II helix	trans	-64.6	146.5	-174.1	-19.9	31.9	0	0	0	111.8	L483 Y533 E539 Q586	L483-P535 HydrophobicContact CD1-CB 4.18Å; L483-P535 HydrophobicContact CD2-CB 4.16Å; L483-P535 HydrophobicContact CD2-CG 3.85Å; L483-P535 HydrophobicContact CG-CB 3.85Å; L483-P535 HydrophobicContact CG-CG 3.72Å; Y533-P535 WeakPolarHBondContact O-CD 3.38Å; P535-E539 VanDerWaalsContact CA-OE2 3.23Å; P535-E539 WeakPolarHBondContact CA-OE2 3.4Å; P535-E539 HydrophobicContact CB-CB 4.35Å; P535-Q586 HydrophobicContact CB-CB 3.89Å; P535-Q586 HydrophobicContact CB-CG 4.02Å; P535-Q586 VanDerWaalsContact CB-OE1 3.3Å
536	T	95.5	Very high	91.1	Very high	8 Å²	8	23.5 Å²	23.5	5%	0.049	14%	0.135	C	C	.	.	P	Polyproline II helix	trans	-80.4	154.1	173.9	71.6	0	0	0	0	111.3	G538 E539 Q586 L756 W757 Q783	T536-G538 PolarHBondContact O-N 2.87Å; T536-E539 PolarHBondContact N-OE2 3.17Å; T536-E539 WeakPolarHBondContact O-CB 3.47Å; T536-E539 PolarHBondContact O-N 3.14Å; T536-Q586 WeakPolarHBondContact O-CB 3.44Å; T536-Q586 WeakPolarHBondContact O-CG 3.49Å; T536-L756 HydrophobicContact CG2-CD2 4.08Å; T536-L756 VanDerWaalsContact OG1-CD2 3.27Å; T536-L756 WeakPolarHBondContact OG1-CD2 3.14Å; T536-W757 HydrophobicContact CG2-CZ2 4Å; T536-Q783 VanDerWaalsContact CB-CD 3.48Å; T536-Q783 HydrophobicContact CG2-CG 3.76Å; T536-Q783 PolarHBondContact OG1-NE2 3.31Å
537	L	97.1	Very high	92.1	Very high	20 Å²	20	23.5 Å²	23.5	11%	0.105	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	125.6	179.9	-174.1	66.3	0	0	0	110.5	E539 W797	L537-E539 VanDerWaalsContact C-N 3.29Å; L537-W797 HydrophobicContact CD1-CG 4.16Å; L537-W797 HydrophobicContact CD2-CB 3.71Å; L537-W797 HydrophobicContact CD2-CD2 3.94Å; L537-W797 HydrophobicContact CD2-CG 3.55Å; L537-W797 HydrophobicContact CG-CB 4.49Å; L537-W797 HydrophobicContact CG-CD2 3.93Å; L537-W797 HydrophobicContact CG-CG 3.8Å
538	G	97.8	Very high	92.4	Very high	2 Å²	2	24.1 Å²	24.1	2%	0.021	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.8	3.1	-174.5	0	0	0	0	0	115.3	T536 Q586 N751	T536-G538 PolarHBondContact O-N 2.87Å; G538-Q586 PolarHBondContact N-O 3.06Å; G538-N751 PolarHBondContact O-ND2 3.19Å
539	E	98.6	Very high	91.5	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.169	C	C	.	.			trans	-60.9	140.7	168.7	-173.5	-178.1	142.9	0	0	110	S481 L483 P535 T536 L537 E585 Q586 N751 S753 L756 W757	S481-E539 WeakPolarHBondContact CB-OE1 3.4Å; S481-E539 PolarHBondContact OG-OE1 2.62Å; L483-E539 HydrophobicContact CD1-CB 4.05Å; L483-E539 HydrophobicContact CD1-CG 3.87Å; L483-E539 WeakPolarHBondContact CD1-O 3.3Å; P535-E539 VanDerWaalsContact CA-OE2 3.23Å; P535-E539 WeakPolarHBondContact CA-OE2 3.4Å; P535-E539 HydrophobicContact CB-CB 4.35Å; T536-E539 PolarHBondContact N-OE2 3.17Å; T536-E539 WeakPolarHBondContact O-CB 3.47Å; T536-E539 PolarHBondContact O-N 3.14Å; L537-E539 VanDerWaalsContact C-N 3.29Å; E539-E585 CarbonylContact O-C 3.53Å; E539-E585 VanDerWaalsContact O-CA 3.28Å; E539-E585 WeakPolarHBondContact O-CA 3.5Å; E539-Q586 HydrophobicContact CB-CB 4.49Å; E539-Q586 PolarHBondContact O-N 3.33Å; E539-N751 VanDerWaalsContact CA-O 3.32Å; E539-N751 WeakPolarHBondContact CA-O 3.49Å; E539-N751 WeakPolarHBondContact CG-O 3.36Å; E539-S753 VanDerWaalsContact OE1-CB 3.24Å; E539-S753 WeakPolarHBondContact OE1-CB 3.39Å; E539-S753 PolarHBondContact OE1-OG 2.92Å; E539-L756 HydrophobicContact CB-CD2 4.17Å; E539-L756 HydrophobicContact CG-CD2 3.76Å; E539-L756 WeakPolarHBondContact OE2-CD2 3.3Å; E539-W757 VanDerWaalsContact CD-NE1 3.31Å; E539-W757 PolarHBondContact OE1-NE1 3.48Å; E539-W757 PolarHBondContact OE2-NE1 3.24Å
540	I	98.7	Very high	90.1	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	155.7	175.9	65.1	171.7	0	0	0	112.5	L583 A584 E585 E749 N751 E752 S753 Y801	I540-L583 HydrophobicContact CB-CD1 4.4Å; I540-A584 CarbonylContact C-O 3.53Å; I540-A584 WeakPolarHBondContact CA-O 3.38Å; I540-A584 WeakPolarHBondContact CB-O 3.45Å; I540-E585 HydrophobicContact CG2-CB 4.12Å; I540-E585 HydrophobicContact CG2-CG 4.03Å; I540-E749 WeakPolarHBondContact CD1-OE2 3.49Å; I540-N751 PolarHBondContact N-O 3.09Å; I540-E752 HydrophobicContact CD1-CB 4.5Å; I540-E752 HydrophobicContact CG1-CB 4.02Å; I540-E752 HydrophobicContact CG1-CG 4.2Å; I540-E752 CarbonylContact O-C 3.5Å; I540-E752 VanDerWaalsContact O-CA 3.25Å; I540-E752 WeakPolarHBondContact O-CA 3.48Å; I540-S753 PolarHBondContact O-N 3.46Å; I540-S753 PolarHBondContact O-OG 2.7Å; I540-S753 VanDerWaalsContact O-OG 3.11Å; I540-Y801 HydrophobicContact CD1-CE2 4.04Å; I540-Y801 HydrophobicContact CG2-CD2 3.96Å; I540-Y801 HydrophobicContact CG2-CE2 3.81Å
541	F	98.6	Very high	88.1	Confident	1 Å²	1	43.6 Å²	43.6	0%	0.004	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	130.2	166.7	-177.2	-101.1	0	0	0	110.1	L483 E484 A487 C543 F582 L583 A584 K740 V742 R754	L483-F541 HydrophobicContact CB-CB 3.72Å; E484-F541 HydrophobicContact CB-CD1 4.19Å; E484-F541 HydrophobicContact CB-CD2 3.87Å; E484-F541 HydrophobicContact CB-CE1 4.05Å; E484-F541 HydrophobicContact CB-CE2 3.71Å; E484-F541 HydrophobicContact CB-CG 4.1Å; E484-F541 HydrophobicContact CB-CZ 3.81Å; E484-F541 HydrophobicContact CG-CD2 4.42Å; E484-F541 HydrophobicContact CG-CE1 3.98Å; E484-F541 HydrophobicContact CG-CE2 3.76Å; E484-F541 HydrophobicContact CG-CZ 3.5Å; E484-F541 WeakPolarHBondContact OE2-CE2 3.46Å; A487-F541 HydrophobicContact CB-CD1 4.2Å; A487-F541 HydrophobicContact CB-CE1 3.84Å; F541-C543 HydrophobicContact CE1-CB 3.88Å; F541-C543 HydrophobicContact CZ-CB 4.18Å; F541-F582 HydrophobicContact CD1-CD1 4.13Å; F541-F582 AromaticContact CD1-CE1 3.98Å; F541-F582 HydrophobicContact CD1-CE1 3.98Å; F541-L583 CarbonylContact O-C 3.49Å; F541-L583 WeakPolarHBondContact O-CA 3.22Å; F541-A584 PolarHBondContact N-O 3.29Å; F541-A584 PolarHBondContact O-N 2.97Å; F541-K740 HydrophobicContact CE1-CD 3.94Å; F541-K740 HydrophobicContact CZ-CD 3.97Å; F541-V742 HydrophobicContact CE2-CG1 4.03Å; F541-V742 HydrophobicContact CZ-CG1 3.78Å; F541-R754 HydrophobicContact CE2-CG 4.29Å
542	R	97.9	Very high	86.2	Confident	22 Å²	22	43.3 Å²	43.3	8%	0.083	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	137.7	176.1	-64.7	176.1	-64	-157.5	-4.3	111.3	V572 F582 L583 E749 E752	R542-V572 HydrophobicContact CB-CG2 4.18Å; R542-F582 VanDerWaalsContact CA-O 3.31Å; R542-F582 WeakPolarHBondContact CA-O 3.44Å; R542-L583 HydrophobicContact CG-CB 4.38Å; R542-L583 HydrophobicContact CG-CD1 3.47Å; R542-L583 VanDerWaalsContact CG-CD1 3.47Å; R542-E749 IonicContact CZ-OE1 2.7Å; R542-E749 IonicContact NH1-OE1 2.65Å; R542-E749 PolarHBondContact NH1-OE1 3.25Å; R542-E749 IonicContact NH2-OE1 3.7Å; R542-E749 PolarHBondContact NH2-OE1 3.39Å; R542-E752 WeakPolarHBondContact CB-OE1 3.47Å; R542-E752 IonicContact CZ-OE1 3.87Å; R542-E752 IonicContact CZ-OE2 2.72Å; R542-E752 IonicContact NE-OE1 3.92Å; R542-E752 PolarHBondContact NE-OE1 3.23Å; R542-E752 IonicContact NE-OE2 3.99Å; R542-E752 IonicContact NH2-OE1 2.72Å; R542-E752 PolarHBondContact NH2-OE1 3.46Å; R542-E752 IonicContact NH2-OE2 3.8Å; R542-E752 PolarHBondContact NH2-OE2 3.18Å
543	C	97.1	Very high	83.9	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	171.7	170.6	66.7	0	0	0	0	112.1	F541 W545 F582 K740 H741 V742	F541-C543 HydrophobicContact CE1-CB 3.88Å; F541-C543 HydrophobicContact CZ-CB 4.18Å; C543-W545 WeakPolarHBondContact SG-CH2 3.37Å; C543-F582 PolarHBondContact N-O 2.92Å; C543-F582 PolarHBondContact O-N 3.36Å; C543-K740 HydrophobicContact CB-CB 4Å; C543-H741 CarbonylContact C-O 3.48Å; C543-H741 WeakPolarHBondContact CA-O 3.33Å; C543-H741 VanDerWaalsContact CB-O 3.28Å; C543-H741 WeakPolarHBondContact CB-O 3.26Å; C543-V742 HydrophobicContact CB-CG1 3.88Å
544	Y	97	Very high	81.7	Confident	26 Å²	26	54.8 Å²	54.8	10%	0.102	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	162.6	169.9	73.5	-88.5	0	0	0	112.3	P546 V572 W574 A575 P576 V580 H741	Y544-P546 HydrophobicContact CE2-CB 4.24Å; Y544-P546 HydrophobicContact CE2-CG 4.09Å; Y544-V572 HydrophobicContact CD1-CG1 4.41Å; Y544-W574 HydrophobicContact CD1-CE3 4.1Å; Y544-W574 AromaticContact CD1-CH2 3.67Å; Y544-W574 HydrophobicContact CD1-CH2 3.67Å; Y544-W574 AromaticContact CD1-CZ3 3.52Å; Y544-W574 HydrophobicContact CD1-CZ3 3.52Å; Y544-W574 AromaticContact CE1-CE3 3.74Å; Y544-W574 HydrophobicContact CE1-CE3 3.74Å; Y544-W574 AromaticContact CE1-CH2 3.84Å; Y544-W574 HydrophobicContact CE1-CH2 3.84Å; Y544-W574 AromaticContact CE1-CZ3 3.21Å; Y544-W574 HydrophobicContact CE1-CZ3 3.21Å; Y544-A575 HydrophobicContact CD1-CB 3.76Å; Y544-A575 HydrophobicContact CD2-CB 4.04Å; Y544-A575 HydrophobicContact CE1-CB 4.4Å; Y544-A575 HydrophobicContact CG-CB 3.55Å; Y544-P576 HydrophobicContact CE2-CG 3.97Å; Y544-V580 CarbonylContact C-O 3.58Å; Y544-V580 WeakPolarHBondContact CA-O 3.22Å; Y544-V580 WeakPolarHBondContact CB-O 3.27Å; Y544-H741 HydrophobicContact CD1-CB 3.74Å; Y544-H741 HydrophobicContact CD2-CB 4.1Å; Y544-H741 HydrophobicContact CE1-CB 3.36Å; Y544-H741 HydrophobicContact CE2-CB 3.74Å; Y544-H741 AromaticContact CE2-CG 3.96Å; Y544-H741 HydrophobicContact CG-CB 4.09Å; Y544-H741 AromaticContact CZ-CG 3.83Å; Y544-H741 PolarHBondContact N-O 3.41Å; Y544-H741 WeakPolarHBondContact O-CB 3.44Å; Y544-H741 PolarHBondContact O-N 3.27Å
545	W	95.3	Very high	79.6	Confident	3 Å²	3	54.3 Å²	54.3	1%	0.011	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	110.4	170.9	-63.8	-95.1	0	0	0	109	A487 L490 A493 C543 L547 S579 V580 F582 V738 K740	A487-W545 HydrophobicContact CB-CH2 3.97Å; A487-W545 HydrophobicContact CB-CZ2 4.47Å; A487-W545 WeakPolarHBondContact O-CH2 3.33Å; A487-W545 WeakPolarHBondContact O-CZ2 3.38Å; L490-W545 HydrophobicContact CB-CE3 4.36Å; L490-W545 HydrophobicContact CB-CH2 3.62Å; L490-W545 HydrophobicContact CB-CZ2 4.09Å; L490-W545 HydrophobicContact CB-CZ3 3.78Å; L490-W545 HydrophobicContact CD1-CH2 4.34Å; L490-W545 HydrophobicContact CD1-CZ3 4Å; A493-W545 HydrophobicContact CB-CB 3.72Å; A493-W545 HydrophobicContact CB-CD2 4.16Å; A493-W545 HydrophobicContact CB-CE3 4.41Å; A493-W545 HydrophobicContact CB-CG 3.88Å; C543-W545 WeakPolarHBondContact SG-CH2 3.37Å; W545-L547 PolarHBondContact O-N 3.03Å; W545-S579 CarbonylContact O-C 3.46Å; W545-S579 VanDerWaalsContact O-CA 3.23Å; W545-S579 WeakPolarHBondContact O-CA 3.37Å; W545-S579 WeakPolarHBondContact O-CB 2.84Å; W545-V580 HydrophobicContact CE3-CB 4.36Å; W545-V580 HydrophobicContact CE3-CG1 4.23Å; W545-V580 PolarHBondContact N-O 3.42Å; W545-V580 PolarHBondContact O-N 2.95Å; W545-F582 HydrophobicContact CH2-CB 4.24Å; W545-F582 HydrophobicContact CZ3-CB 3.74Å; W545-V738 PolarHBondContact NE1-O 2.95Å; W545-V738 VanDerWaalsContact NE1-O 3.11Å; W545-K740 HydrophobicContact CZ2-CD 4.15Å; W545-K740 HydrophobicContact CZ2-CG 3.68Å
546	P	93.8	Very high	77.2	Confident	51 Å²	51	59.3 Å²	59.3	33%	0.331	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	130.7	175.4	29.2	-31.4	0	0	0	109.5	Y544 H741	Y544-P546 HydrophobicContact CE2-CB 4.24Å; Y544-P546 HydrophobicContact CE2-CG 4.09Å; P546-H741 VanDerWaalsContact CD-CD2 3.44Å; P546-H741 WeakPolarHBondContact CD-CD2 3.3Å
547	L	91.5	Very high	74.9	Confident	36 Å²	36	65.6 Å²	65.6	19%	0.188	38%	0.383	C	S	.	.	P	Polyproline II helix	trans	-89.3	142.7	171.7	-54.7	-175.8	0	0	0	108.6	D494 A497 W545 N578 V580	D494-L547 HydrophobicContact CB-CD2 4.26Å; A497-L547 HydrophobicContact CB-CD1 3.6Å; W545-L547 PolarHBondContact O-N 3.03Å; L547-N578 PolarHBondContact N-O 2.78Å; L547-N578 PolarHBondContact O-ND2 3.12Å; L547-V580 HydrophobicContact CD1-CG2 4.24Å; L547-V580 HydrophobicContact CD2-CG2 4.41Å; L547-V580 HydrophobicContact CG-CG2 4.5Å
548	S	75.8	Confident	72.7	Confident	114 Å²	114	70 Å²	70	80%	0.797	42%	0.423	S	S	*	.	P	Polyproline II helix	trans	-52.1	143.7	-171.7	58.8	0	0	0	0	112.5	E550 N578	S548-E550 PolarHBondContact O-N 3.5Å; S548-N578 PolarHBondContact O-ND2 2.69Å
549	K	59.6	Low	71	Confident	166 Å²	166	74.2 Å²	74.2	72%	0.722	45%	0.452	S	S	*	.	P	Polyproline II helix	trans	-62.9	123.4	-175.6	-68.3	-166.9	172.7	-160.2	0	110.3	S551 D554	K549-S551 PolarHBondContact O-N 3.11Å; K549-D554 IonicContact NZ-OD2 2.62Å; K549-D554 PolarHBondContact NZ-OD2 2.81Å
550	E	52.4	Low	69.4	Low	175 Å²	175	79.5 Å²	79.5	82%	0.818	48%	0.477	S	S	*	.	P	Polyproline II helix	trans	-59.2	133	145.6	-72.4	-175.4	168.3	0	0	106.8	S548 G552	S548-E550 PolarHBondContact O-N 3.5Å; E550-G552 PolarHBondContact O-N 2.94Å
551	S	45	Very low	68.3	Low	134 Å²	134	85.4 Å²	85.4	94%	0.937	50%	0.502	S	S	*	.	S	Bend	trans	-68.9	34	-178.9	46.2	0	0	0	0	113.7	K549 D553	K549-S551 PolarHBondContact O-N 3.11Å; S551-D553 PolarHBondContact O-N 3.11Å
552	G	46.7	Very low	67.5	Low	59 Å²	59	90.8 Å²	90.8	61%	0.608	54%	0.537	S	S	*	.			trans	-91.7	90.8	178	0	0	0	0	0	111.3	E550	E550-G552 PolarHBondContact O-N 2.94Å
553	D	42.6	Very low	66.7	Low	123 Å²	123	94.3 Å²	94.3	66%	0.658	56%	0.555	S	S	*	*			trans	30	93.2	146.1	-161.6	22.6	0	0	0	116	S551 S555	S551-D553 PolarHBondContact O-N 3.11Å; D553-S555 PolarHBondContact O-N 3.33Å; D553-S555 WeakPolarHBondContact OD1-CB 3.33Å; D553-S555 PolarHBondContact OD1-N 3.36Å; D553-S555 PolarHBondContact OD1-OG 3.01Å; D553-S555 VanDerWaalsContact OD2-CB 3.28Å; D553-S555 WeakPolarHBondContact OD2-CB 3.16Å; D553-S555 PolarHBondContact OD2-OG 3.21Å
554	D	47.7	Very low	66.2	Low	136 Å²	136	96 Å²	96	73%	0.727	56%	0.564	S	S	*	*			trans	-66.1	52.5	159.5	-73.8	-39.5	0	0	0	109.2	K549 S556	K549-D554 IonicContact NZ-OD2 2.62Å; K549-D554 PolarHBondContact NZ-OD2 2.81Å; D554-S556 PolarHBondContact O-N 2.72Å; D554-S556 VanDerWaalsContact O-N 3.13Å
555	S	47.3	Very low	65.8	Low	52 Å²	52	100.4 Å²	100.4	36%	0.364	58%	0.583	S	S	.	*			trans	-77.6	101.3	170.6	42.3	0	0	0	0	108.2	D553 N557	D553-S555 PolarHBondContact O-N 3.33Å; D553-S555 WeakPolarHBondContact OD1-CB 3.33Å; D553-S555 PolarHBondContact OD1-N 3.36Å; D553-S555 PolarHBondContact OD1-OG 3.01Å; D553-S555 VanDerWaalsContact OD2-CB 3.28Å; D553-S555 WeakPolarHBondContact OD2-CB 3.16Å; D553-S555 PolarHBondContact OD2-OG 3.21Å; S555-N557 PolarHBondContact O-N 3.22Å
556	S	45.8	Very low	65.7	Low	118 Å²	118	101.5 Å²	101.5	83%	0.825	59%	0.589	S	S	*	*			trans	-59.7	41.5	175.9	47.8	0	0	0	0	114.8	D554 A558	D554-S556 PolarHBondContact O-N 2.72Å; D554-S556 VanDerWaalsContact O-N 3.13Å; S556-A558 PolarHBondContact O-N 2.9Å; S556-A558 VanDerWaalsContact O-N 3.13Å
557	N	46.3	Very low	65.7	Low	139 Å²	139	99.8 Å²	99.8	74%	0.743	58%	0.578	S	S	*	*			trans	-68.9	113.1	169.1	-82.5	-27.7	0	0	0	109.1	S555 S559	S555-N557 PolarHBondContact O-N 3.22Å; N557-S559 PolarHBondContact O-N 2.82Å
558	A	52.2	Low	65.8	Low	114 Å²	114	101 Å²	101	94%	0.942	59%	0.585	S	S	*	*	S	Bend	trans	-67.2	31.2	-162.9	0	0	0	0	0	117.1	S556	S556-A558 PolarHBondContact O-N 2.9Å; S556-A558 VanDerWaalsContact O-N 3.13Å
559	S	60.8	Low	66.6	Low	90 Å²	90	98 Å²	98	63%	0.629	56%	0.564	S	S	*	*	S	Bend	trans	-111.9	114.8	164.8	58.7	0	0	0	0	108.3	N557 K561	N557-S559 PolarHBondContact O-N 2.82Å; S559-K561 PolarHBondContact O-N 3.41Å
560	E	64.5	Low	68.3	Low	111 Å²	111	90.4 Å²	90.4	52%	0.519	53%	0.533	S	S	.	.			trans	-47.6	116.3	168.7	-88.6	-177	146.8	0	0	108.9	K565 N568	E560-K565 HydrophobicContact CB-CG 3.99Å; E560-K565 WeakPolarHBondContact OE2-CE 3.3Å; E560-K565 WeakPolarHBondContact OE2-CG 3.26Å; E560-N568 PolarHBondContact OE1-ND2 2.99Å
561	K	77.3	Confident	70.4	Confident	124 Å²	124	82.4 Å²	82.4	54%	0.539	50%	0.496	S	S	.	.			trans	-62.8	148.4	173.3	-66.8	173.1	-177.3	170.6	0	107.1	S559 Q563 D564 K565	S559-K561 PolarHBondContact O-N 3.41Å; K561-Q563 PolarHBondContact O-N 3.4Å; K561-D564 WeakPolarHBondContact CB-OD2 3.44Å; K561-D564 PolarHBondContact N-OD2 2.8Å; K561-D564 WeakPolarHBondContact O-CB 3.33Å; K561-D564 PolarHBondContact O-N 2.87Å; K561-K565 PolarHBondContact O-N 3.44Å
562	P	80.4	Confident	72.9	Confident	114 Å²	114	76.2 Å²	76.2	74%	0.74	45%	0.453	S	S	*	.	H	α-helix	trans	-50	-31.7	176.6	-28.7	35	0	0	0	113.4	L566	P562-L566 PolarHBondContact O-N 2.94Å; P562-L566 VanDerWaalsContact O-N 3.13Å
563	Q	82.1	Confident	75.2	Confident	96 Å²	96	76.4 Å²	76.4	45%	0.449	44%	0.443	S	S	.	.	H	α-helix	trans	-70.4	-37.4	176.9	-167.3	165.8	-2.5	0	0	113.5	K561 K565 L566 C567 N602	K561-Q563 PolarHBondContact O-N 3.4Å; Q563-K565 VanDerWaalsContact C-N 3.31Å; Q563-K565 PolarHBondContact O-N 2.7Å; Q563-L566 PolarHBondContact O-N 2.78Å; Q563-C567 PolarHBondContact O-N 2.79Å; Q563-C567 PolarHBondContact O-SG 2.96Å; Q563-C567 VanDerWaalsContact O-SG 3.34Å; Q563-N602 PolarHBondContact NE2-OD1 3.5Å
564	D	86.2	Confident	77.6	Confident	35 Å²	35	74.3 Å²	74.3	19%	0.187	43%	0.426	C	S	.	.	H	α-helix	trans	-61.7	-44.3	175.1	-54.8	-25.6	0	0	0	109.8	K561 L566 C567 N568 N577	K561-D564 WeakPolarHBondContact CB-OD2 3.44Å; K561-D564 PolarHBondContact N-OD2 2.8Å; K561-D564 WeakPolarHBondContact O-CB 3.33Å; K561-D564 PolarHBondContact O-N 2.87Å; D564-L566 VanDerWaalsContact C-N 3.3Å; D564-L566 PolarHBondContact O-N 3.49Å; D564-C567 PolarHBondContact O-N 3.32Å; D564-N568 WeakPolarHBondContact O-CB 3.4Å; D564-N568 PolarHBondContact O-N 2.77Å; D564-N568 PolarHBondContact O-ND2 3.19Å; D564-N568 PolarHBondContact O-OD1 3.07Å; D564-N577 PolarHBondContact OD1-ND2 3.24Å
565	K	89.4	Confident	79.9	Confident	119 Å²	119	68.2 Å²	68.2	52%	0.517	40%	0.395	S	S	.	.	H	α-helix	trans	-60.3	-40.9	175.4	-65.9	-172.4	174.3	-174.6	0	112.2	E560 K561 Q563 N568 S569	E560-K565 HydrophobicContact CB-CG 3.99Å; E560-K565 WeakPolarHBondContact OE2-CE 3.3Å; E560-K565 WeakPolarHBondContact OE2-CG 3.26Å; K561-K565 PolarHBondContact O-N 3.44Å; Q563-K565 VanDerWaalsContact C-N 3.31Å; Q563-K565 PolarHBondContact O-N 2.7Å; K565-N568 PolarHBondContact O-N 2.67Å; K565-S569 WeakPolarHBondContact O-CB 3.47Å; K565-S569 PolarHBondContact O-N 2.74Å; K565-S569 PolarHBondContact O-OG 2.86Å
566	L	92.7	Very high	82.1	Confident	26 Å²	26	69 Å²	69	14%	0.136	40%	0.398	C	S	.	.	H	α-helix	trans	-65.3	-44.8	178.6	-173.5	61.5	0	0	0	111.2	P562 Q563 D564 S569 V601 L815 R818 L819	P562-L566 PolarHBondContact O-N 2.94Å; P562-L566 VanDerWaalsContact O-N 3.13Å; Q563-L566 PolarHBondContact O-N 2.78Å; D564-L566 VanDerWaalsContact C-N 3.3Å; D564-L566 PolarHBondContact O-N 3.49Å; L566-S569 PolarHBondContact O-N 3.34Å; L566-S569 PolarHBondContact O-OG 2.81Å; L566-V601 HydrophobicContact CB-CG1 4.43Å; L566-V601 HydrophobicContact CD2-CG1 3.55Å; L566-V601 HydrophobicContact CG-CG1 3.91Å; L566-L815 HydrophobicContact CD1-CD1 4.29Å; L566-L815 HydrophobicContact CD2-CD1 4.16Å; L566-L815 HydrophobicContact CG-CD1 4.26Å; L566-R818 HydrophobicContact CD1-CB 3.61Å; L566-R818 PolarHBondContact O-NH1 3.08Å; L566-L819 HydrophobicContact CD2-CD2 3.48Å; L566-L819 VanDerWaalsContact CD2-CD2 3.48Å; L566-L819 HydrophobicContact CD2-CG 4.18Å
567	C	93	Very high	84.2	Confident	14 Å²	14	66.2 Å²	66.2	10%	0.095	37%	0.374	C	S	.	.	H	α-helix	trans	-61.4	-45.4	174.2	-64.1	0	0	0	0	112	Q563 D564 S569 G570	Q563-C567 PolarHBondContact O-N 2.79Å; Q563-C567 PolarHBondContact O-SG 2.96Å; Q563-C567 VanDerWaalsContact O-SG 3.34Å; D564-C567 PolarHBondContact O-N 3.32Å; C567-S569 PolarHBondContact O-N 2.81Å; C567-G570 PolarHBondContact O-N 3.23Å
568	N	93.5	Very high	86.5	Confident	62 Å²	62	61.9 Å²	61.9	33%	0.332	35%	0.351	S	S	.	.	H	α-helix	trans	-66.4	-20.9	-179.5	-66.7	-13.9	0	0	0	113.4	E560 D564 K565 G570 P573	E560-N568 PolarHBondContact OE1-ND2 2.99Å; D564-N568 WeakPolarHBondContact O-CB 3.4Å; D564-N568 PolarHBondContact O-N 2.77Å; D564-N568 PolarHBondContact O-ND2 3.19Å; D564-N568 PolarHBondContact O-OD1 3.07Å; K565-N568 PolarHBondContact O-N 2.67Å; N568-G570 VanDerWaalsContact C-N 3.33Å; N568-P573 VanDerWaalsContact O-CB 3.28Å; N568-P573 WeakPolarHBondContact O-CB 3.42Å; N568-P573 WeakPolarHBondContact O-CG 3.38Å; N568-P573 PolarHBondContact OD1-O 2.97Å
569	S	93.7	Very high	88.6	Confident	52 Å²	52	56.7 Å²	56.7	36%	0.364	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-0.5	174.1	69.8	0	0	0	0	114.3	K565 L566 C567 R818	K565-S569 WeakPolarHBondContact O-CB 3.47Å; K565-S569 PolarHBondContact O-N 2.74Å; K565-S569 PolarHBondContact O-OG 2.86Å; L566-S569 PolarHBondContact O-N 3.34Å; L566-S569 PolarHBondContact O-OG 2.81Å; C567-S569 PolarHBondContact O-N 2.81Å; S569-R818 WeakPolarHBondContact O-CD 3.4Å; S569-R818 PolarHBondContact OG-NH1 3.11Å
570	G	95.1	Very high	90.4	Very high	6 Å²	6	52.4 Å²	52.4	6%	0.062	28%	0.278	C	S	.	.	S	Bend	trans	-81.6	-175.3	-178.9	0	0	0	0	0	114.1	C567 N568 V572	C567-G570 PolarHBondContact O-N 3.23Å; N568-G570 VanDerWaalsContact C-N 3.33Å; G570-V572 PolarHBondContact O-N 3.5Å
571	P	96	Very high	92.1	Very high	7 Å²	7	47.7 Å²	47.7	5%	0.045	26%	0.257	C	S	.	.	S	Bend	trans	-69	-18.9	-176.9	29	-36.9	0	0	0	114	V581 L583 Y597 E599 Y811	P571-V581 HydrophobicContact CG-CB 4.39Å; P571-V581 HydrophobicContact CG-CG2 3.63Å; P571-L583 HydrophobicContact CB-CB 3.78Å; P571-L583 HydrophobicContact CB-CD2 3.93Å; P571-Y597 HydrophobicContact CG-CD1 4.06Å; P571-Y597 HydrophobicContact CG-CE1 4.14Å; P571-E599 HydrophobicContact CG-CG 4.43Å; P571-Y811 HydrophobicContact CB-CE1 4.43Å
572	V	97.2	Very high	93.1	Very high	4 Å²	4	41.9 Å²	41.9	2%	0.024	23%	0.232	C	C	.	.			trans	-133	75.5	-179.3	-169.1	0	0	0	0	109.7	R542 Y544 G570 W574 A575 V581 F582	R542-V572 HydrophobicContact CB-CG2 4.18Å; Y544-V572 HydrophobicContact CD1-CG1 4.41Å; G570-V572 PolarHBondContact O-N 3.5Å; V572-W574 HydrophobicContact CG1-CD2 3.83Å; V572-W574 HydrophobicContact CG1-CE3 4.46Å; V572-W574 HydrophobicContact CG1-CG 4.36Å; V572-W574 HydrophobicContact CG1-CH2 3.95Å; V572-W574 HydrophobicContact CG1-CZ2 3.24Å; V572-W574 PolarHBondContact O-N 3.4Å; V572-A575 HydrophobicContact CB-CB 4.32Å; V572-A575 HydrophobicContact CG1-CB 3.94Å; V572-A575 WeakPolarHBondContact O-CB 3.18Å; V572-A575 PolarHBondContact O-N 2.99Å; V572-A575 VanDerWaalsContact O-N 3.09Å; V572-V581 HydrophobicContact CB-CB 3.83Å; V572-V581 HydrophobicContact CB-CG1 3.86Å; V572-V581 HydrophobicContact CG2-CB 3.81Å; V572-V581 HydrophobicContact CG2-CG1 4.38Å; V572-F582 WeakPolarHBondContact CG2-O 3.1Å
573	P	95.6	Very high	94	Very high	62 Å²	62	36.5 Å²	36.5	40%	0.403	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-19.4	-172	-28.5	37.7	0	0	0	115.8	N568	N568-P573 VanDerWaalsContact O-CB 3.28Å; N568-P573 WeakPolarHBondContact O-CB 3.42Å; N568-P573 WeakPolarHBondContact O-CG 3.38Å; N568-P573 PolarHBondContact OD1-O 2.97Å
574	W	93.4	Very high	94.8	Very high	79 Å²	79	31.9 Å²	31.9	30%	0.299	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-0.9	-177.7	50.8	-90.1	0	0	0	112.7	Y544 V572 L743	Y544-W574 HydrophobicContact CD1-CE3 4.1Å; Y544-W574 AromaticContact CD1-CH2 3.67Å; Y544-W574 HydrophobicContact CD1-CH2 3.67Å; Y544-W574 AromaticContact CD1-CZ3 3.52Å; Y544-W574 HydrophobicContact CD1-CZ3 3.52Å; Y544-W574 AromaticContact CE1-CE3 3.74Å; Y544-W574 HydrophobicContact CE1-CE3 3.74Å; Y544-W574 AromaticContact CE1-CH2 3.84Å; Y544-W574 HydrophobicContact CE1-CH2 3.84Å; Y544-W574 AromaticContact CE1-CZ3 3.21Å; Y544-W574 HydrophobicContact CE1-CZ3 3.21Å; V572-W574 HydrophobicContact CG1-CD2 3.83Å; V572-W574 HydrophobicContact CG1-CE3 4.46Å; V572-W574 HydrophobicContact CG1-CG 4.36Å; V572-W574 HydrophobicContact CG1-CH2 3.95Å; V572-W574 HydrophobicContact CG1-CZ2 3.24Å; V572-W574 PolarHBondContact O-N 3.4Å; W574-L743 HydrophobicContact CD2-CD1 4.2Å; W574-L743 HydrophobicContact CD2-CD2 3.64Å; W574-L743 HydrophobicContact CD2-CG 3.72Å; W574-L743 VanDerWaalsContact CE2-CG 3.49Å; W574-L743 HydrophobicContact CE3-CD2 3.62Å; W574-L743 HydrophobicContact CE3-CG 3.93Å; W574-L743 HydrophobicContact CG-CD1 4.4Å; W574-L743 HydrophobicContact CG-CD2 4.07Å; W574-L743 HydrophobicContact CG-CG 4.35Å; W574-L743 HydrophobicContact CH2-CD2 4.43Å; W574-L743 HydrophobicContact CH2-CG 3.9Å; W574-L743 VanDerWaalsContact CH2-N 3.32Å; W574-L743 HydrophobicContact CZ2-CD1 4.23Å; W574-L743 HydrophobicContact CZ2-CD2 4.43Å; W574-L743 HydrophobicContact CZ2-CG 3.66Å; W574-L743 HydrophobicContact CZ3-CD2 3.92Å; W574-L743 HydrophobicContact CZ3-CG 3.9Å
575	A	94.7	Very high	95.4	Very high	9 Å²	9	30.3 Å²	30.3	7%	0.074	17%	0.166	C	C	.	.	S	Bend	trans	-74.4	145.6	174.4	0	0	0	0	0	111.2	Y544 V572 V581	Y544-A575 HydrophobicContact CD1-CB 3.76Å; Y544-A575 HydrophobicContact CD2-CB 4.04Å; Y544-A575 HydrophobicContact CE1-CB 4.4Å; Y544-A575 HydrophobicContact CG-CB 3.55Å; V572-A575 HydrophobicContact CB-CB 4.32Å; V572-A575 HydrophobicContact CG1-CB 3.94Å; V572-A575 WeakPolarHBondContact O-CB 3.18Å; V572-A575 PolarHBondContact O-N 2.99Å; V572-A575 VanDerWaalsContact O-N 3.09Å; A575-V581 HydrophobicContact CB-CG1 3.58Å
576	P	93.7	Very high	95.8	Very high	67 Å²	67	24.7 Å²	24.7	44%	0.435	14%	0.142	S	C	.	.			trans	-57.4	146.4	170.5	-21.9	32.8	0	0	0	111.7	Y544 N578 S579	Y544-P576 HydrophobicContact CE2-CG 3.97Å; P576-N578 PolarHBondContact O-N 2.74Å; P576-S579 VanDerWaalsContact O-CB 3.24Å; P576-S579 WeakPolarHBondContact O-CB 3.26Å; P576-S579 PolarHBondContact O-N 2.94Å; P576-S579 PolarHBondContact O-OG 3.38Å
577	N	91.5	Very high	96	Very high	61 Å²	61	23.7 Å²	23.7	33%	0.326	14%	0.137	S	C	.	.	S	Bend	trans	-53.4	-34	-174.1	-67.8	-18.9	0	0	0	115.4	D564 S579	D564-N577 PolarHBondContact OD1-ND2 3.24Å; N577-S579 PolarHBondContact O-N 3.49Å
578	N	94.2	Very high	96.1	Very high	47 Å²	47	24.3 Å²	24.3	25%	0.251	14%	0.141	S	C	.	.	S	Bend	trans	-96.8	59.2	177.7	-166.4	37.2	0	0	0	111.4	L547 S548 P576 H600 N602	L547-N578 PolarHBondContact N-O 2.78Å; L547-N578 PolarHBondContact O-ND2 3.12Å; S548-N578 PolarHBondContact O-ND2 2.69Å; P576-N578 PolarHBondContact O-N 2.74Å; N578-H600 PolarHBondContact OD1-NE2 2.94Å; N578-N602 PolarHBondContact OD1-ND2 2.93Å
579	S	96.7	Very high	95.9	Very high	5 Å²	5	22.4 Å²	22.4	4%	0.035	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	146.9	179.9	-52.9	0	0	0	0	111.5	W545 P576 N577 H600	W545-S579 CarbonylContact O-C 3.46Å; W545-S579 VanDerWaalsContact O-CA 3.23Å; W545-S579 WeakPolarHBondContact O-CA 3.37Å; W545-S579 WeakPolarHBondContact O-CB 2.84Å; P576-S579 VanDerWaalsContact O-CB 3.24Å; P576-S579 WeakPolarHBondContact O-CB 3.26Å; P576-S579 PolarHBondContact O-N 2.94Å; P576-S579 PolarHBondContact O-OG 3.38Å; N577-S579 PolarHBondContact O-N 3.49Å; S579-H600 PolarHBondContact O-CD2 2.97Å
580	V	98.4	Very high	95.5	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	126.7	157.1	178.4	0	0	0	0	107.1	L490 A493 W496 A497 Y544 W545 L547 E599 H600	L490-V580 HydrophobicContact CD1-CG1 4.19Å; A493-V580 HydrophobicContact CB-CB 3.89Å; A493-V580 HydrophobicContact CB-CG1 4.27Å; A493-V580 HydrophobicContact CB-CG2 3.76Å; W496-V580 HydrophobicContact CE3-CG1 3.94Å; W496-V580 HydrophobicContact CE3-CG2 4.02Å; W496-V580 HydrophobicContact CZ3-CG1 3.85Å; W496-V580 HydrophobicContact CZ3-CG2 4.22Å; A497-V580 HydrophobicContact CB-CG2 4.06Å; Y544-V580 CarbonylContact C-O 3.58Å; Y544-V580 WeakPolarHBondContact CA-O 3.22Å; Y544-V580 WeakPolarHBondContact CB-O 3.27Å; W545-V580 HydrophobicContact CE3-CB 4.36Å; W545-V580 HydrophobicContact CE3-CG1 4.23Å; W545-V580 PolarHBondContact N-O 3.42Å; W545-V580 PolarHBondContact O-N 2.95Å; L547-V580 HydrophobicContact CD1-CG2 4.24Å; L547-V580 HydrophobicContact CD2-CG2 4.41Å; L547-V580 HydrophobicContact CG-CG2 4.5Å; V580-E599 WeakPolarHBondContact CA-O 3.29Å; V580-H600 HydrophobicContact CG2-CB 4.17Å
581	V	98.6	Very high	95.2	Very high	13 Å²	13	25.8 Å²	25.8	8%	0.079	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	147.6	178.8	-62.1	0	0	0	0	109.9	P571 V572 A575 A598 E599	P571-V581 HydrophobicContact CG-CB 4.39Å; P571-V581 HydrophobicContact CG-CG2 3.63Å; V572-V581 HydrophobicContact CB-CB 3.83Å; V572-V581 HydrophobicContact CB-CG1 3.86Å; V572-V581 HydrophobicContact CG2-CB 3.81Å; V572-V581 HydrophobicContact CG2-CG1 4.38Å; A575-V581 HydrophobicContact CB-CG1 3.58Å; V581-A598 CarbonylContact O-C 3.58Å; V581-A598 WeakPolarHBondContact O-CA 3.41Å; V581-A598 WeakPolarHBondContact O-CB 3.03Å; V581-E599 HydrophobicContact CG2-CG 3.34Å; V581-E599 PolarHBondContact N-O 2.96Å; V581-E599 PolarHBondContact O-N 3.07Å
582	F	98.8	Very high	95.1	Very high	2 Å²	2	26.9 Å²	26.9	1%	0.009	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	140.9	-177.7	174	-82.1	0	0	0	110.9	A487 L490 F541 R542 C543 W545 V572 A584 F596 Y597 A598	A487-F582 HydrophobicContact CB-CD1 3.8Å; A487-F582 HydrophobicContact CB-CD2 4.41Å; A487-F582 HydrophobicContact CB-CE1 3.67Å; A487-F582 HydrophobicContact CB-CE2 4.27Å; A487-F582 HydrophobicContact CB-CG 4.18Å; A487-F582 HydrophobicContact CB-CZ 3.9Å; L490-F582 HydrophobicContact CD1-CB 4.39Å; L490-F582 HydrophobicContact CD1-CD2 3.83Å; F541-F582 HydrophobicContact CD1-CD1 4.13Å; F541-F582 AromaticContact CD1-CE1 3.98Å; F541-F582 HydrophobicContact CD1-CE1 3.98Å; R542-F582 VanDerWaalsContact CA-O 3.31Å; R542-F582 WeakPolarHBondContact CA-O 3.44Å; C543-F582 PolarHBondContact N-O 2.92Å; C543-F582 PolarHBondContact O-N 3.36Å; W545-F582 HydrophobicContact CH2-CB 4.24Å; W545-F582 HydrophobicContact CZ3-CB 3.74Å; V572-F582 WeakPolarHBondContact CG2-O 3.1Å; F582-A584 HydrophobicContact CE1-CB 3.56Å; F582-A584 HydrophobicContact CZ-CB 3.7Å; F582-F596 HydrophobicContact CE2-CB 3.76Å; F582-F596 AromaticContact CE2-CD2 3.93Å; F582-F596 HydrophobicContact CE2-CD2 3.93Å; F582-F596 HydrophobicContact CE2-CG 4.07Å; F582-F596 HydrophobicContact CZ-CB 3.7Å; F582-F596 HydrophobicContact CZ-CG 4.32Å; F582-Y597 CarbonylContact C-O 3.57Å; F582-Y597 WeakPolarHBondContact CA-O 3.35Å; F582-A598 HydrophobicContact CB-CB 4.25Å; F582-A598 HydrophobicContact CD2-CB 4.11Å
583	L	98.8	Very high	95.1	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	134.7	172.2	167.2	68.3	0	0	0	108.9	I540 F541 R542 P571 F596 Y597 Y801 F802 Y811	I540-L583 HydrophobicContact CB-CD1 4.4Å; F541-L583 CarbonylContact O-C 3.49Å; F541-L583 WeakPolarHBondContact O-CA 3.22Å; R542-L583 HydrophobicContact CG-CB 4.38Å; R542-L583 HydrophobicContact CG-CD1 3.47Å; R542-L583 VanDerWaalsContact CG-CD1 3.47Å; P571-L583 HydrophobicContact CB-CB 3.78Å; P571-L583 HydrophobicContact CB-CD2 3.93Å; L583-F596 CarbonylContact O-C 3.56Å; L583-F596 VanDerWaalsContact O-CA 3.25Å; L583-F596 WeakPolarHBondContact O-CA 3.08Å; L583-Y597 PolarHBondContact N-O 3.19Å; L583-Y597 PolarHBondContact O-N 3.02Å; L583-Y801 HydrophobicContact CD1-CD2 4.49Å; L583-Y801 HydrophobicContact CD2-CD1 3.73Å; L583-Y801 HydrophobicContact CD2-CD2 4.46Å; L583-Y801 HydrophobicContact CD2-CE1 4.44Å; L583-Y801 HydrophobicContact CD2-CG 3.72Å; L583-F802 HydrophobicContact CD2-CE2 4.4Å; L583-F802 HydrophobicContact CG-CE2 4.31Å; L583-Y811 HydrophobicContact CD2-CD2 4.19Å; L583-Y811 HydrophobicContact CD2-CE2 3.74Å
584	A	98.9	Very high	95.2	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	151.3	167.4	0	0	0	0	0	110.9	L483 I540 F541 F582 A595 F596	L483-A584 HydrophobicContact CB-CB 4.07Å; L483-A584 HydrophobicContact CD2-CB 4.11Å; L483-A584 HydrophobicContact CG-CB 4.49Å; I540-A584 CarbonylContact C-O 3.53Å; I540-A584 WeakPolarHBondContact CA-O 3.38Å; I540-A584 WeakPolarHBondContact CB-O 3.45Å; F541-A584 PolarHBondContact N-O 3.29Å; F541-A584 PolarHBondContact O-N 2.97Å; F582-A584 HydrophobicContact CE1-CB 3.56Å; F582-A584 HydrophobicContact CZ-CB 3.7Å; A584-A595 CarbonylContact C-O 3.59Å; A584-A595 VanDerWaalsContact CA-O 3.22Å; A584-A595 WeakPolarHBondContact CA-O 3.24Å; A584-A595 WeakPolarHBondContact CB-O 3.44Å; A584-F596 HydrophobicContact CB-CB 3.78Å
585	E	98.8	Very high	95.4	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.005	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	139.8	176.5	-176.7	178.8	-179.9	0	0	110.1	E539 I540 V587 S594 A595 P799 E800 Y801 F802	E539-E585 CarbonylContact O-C 3.53Å; E539-E585 VanDerWaalsContact O-CA 3.28Å; E539-E585 WeakPolarHBondContact O-CA 3.5Å; I540-E585 HydrophobicContact CG2-CB 4.12Å; I540-E585 HydrophobicContact CG2-CG 4.03Å; E585-V587 HydrophobicContact CB-CG1 4.15Å; E585-V587 HydrophobicContact CG-CG1 4.12Å; E585-V587 PolarHBondContact O-N 2.81Å; E585-S594 CarbonylContact O-C 3.45Å; E585-S594 WeakPolarHBondContact O-CA 3.4Å; E585-A595 PolarHBondContact N-O 2.97Å; E585-A595 PolarHBondContact O-N 3.1Å; E585-P799 VanDerWaalsContact OE1-CA 3.27Å; E585-P799 WeakPolarHBondContact OE1-CA 3.45Å; E585-P799 WeakPolarHBondContact OE1-CB 3.44Å; E585-E800 PolarHBondContact OE1-N 3.11Å; E585-E800 PolarHBondContact OE2-N 3.02Å; E585-Y801 WeakPolarHBondContact OE2-CB 3.24Å; E585-Y801 PolarHBondContact OE2-N 2.84Å; E585-F802 HydrophobicContact CB-CD2 3.67Å; E585-F802 HydrophobicContact CB-CE2 3.73Å; E585-F802 WeakPolarHBondContact OE2-CD2 3.38Å
586	Q	98.4	Very high	95.6	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.005	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	100	165.5	-170.8	69.4	23.7	0	0	109.7	P535 T536 G538 E539 S588 P592 I593 S594	P535-Q586 HydrophobicContact CB-CB 3.89Å; P535-Q586 HydrophobicContact CB-CG 4.02Å; P535-Q586 VanDerWaalsContact CB-OE1 3.3Å; T536-Q586 WeakPolarHBondContact O-CB 3.44Å; T536-Q586 WeakPolarHBondContact O-CG 3.49Å; G538-Q586 PolarHBondContact N-O 3.06Å; E539-Q586 HydrophobicContact CB-CB 4.49Å; E539-Q586 PolarHBondContact O-N 3.33Å; Q586-S588 PolarHBondContact NE2-O 3.01Å; Q586-P592 PolarHBondContact NE2-O 3.36Å; Q586-I593 PolarHBondContact NE2-O 2.99Å; Q586-S594 PolarHBondContact OE1-OG 2.96Å
587	V	97.7	Very high	95.9	Very high	6 Å²	6	18.1 Å²	18.1	4%	0.036	10%	0.101	C	C	.	.			trans	-89	-21	-171	-61.6	0	0	0	0	113.6	E585 I593 A595 P799 F802 W809	E585-V587 HydrophobicContact CB-CG1 4.15Å; E585-V587 HydrophobicContact CG-CG1 4.12Å; E585-V587 PolarHBondContact O-N 2.81Å; V587-I593 HydrophobicContact CG2-CB 3.94Å; V587-I593 HydrophobicContact CG2-CG2 3.79Å; V587-I593 VanDerWaalsContact CG2-O 3.31Å; V587-I593 WeakPolarHBondContact CG2-O 3.4Å; V587-I593 PolarHBondContact N-O 3.42Å; V587-A595 HydrophobicContact CG1-CB 3.63Å; V587-A595 HydrophobicContact CG2-CB 4.12Å; V587-P799 HydrophobicContact CB-CB 4.13Å; V587-P799 HydrophobicContact CB-CG 3.72Å; V587-P799 HydrophobicContact CG1-CB 3.89Å; V587-P799 HydrophobicContact CG1-CG 4.07Å; V587-P799 WeakPolarHBondContact O-CG 3.4Å; V587-F802 HydrophobicContact CG1-CB 3.93Å; V587-F802 HydrophobicContact CG1-CD2 4.21Å; V587-F802 HydrophobicContact CG1-CG 4.28Å; V587-W809 HydrophobicContact CB-CD2 4.09Å; V587-W809 HydrophobicContact CB-CE3 3.9Å; V587-W809 HydrophobicContact CB-CH2 4.03Å; V587-W809 HydrophobicContact CB-CZ2 4.22Å; V587-W809 HydrophobicContact CB-CZ3 3.89Å; V587-W809 HydrophobicContact CG1-CD2 4.44Å; V587-W809 HydrophobicContact CG1-CE3 4.09Å; V587-W809 HydrophobicContact CG1-CZ3 4.39Å; V587-W809 HydrophobicContact CG2-CD2 3.58Å; V587-W809 HydrophobicContact CG2-CE3 3.94Å; V587-W809 HydrophobicContact CG2-CG 4.04Å; V587-W809 HydrophobicContact CG2-CH2 4.15Å; V587-W809 HydrophobicContact CG2-CZ2 3.82Å; V587-W809 HydrophobicContact CG2-CZ3 4.22Å
588	S	94.9	Very high	96.2	Very high	26 Å²	26	15.2 Å²	15.2	18%	0.182	9%	0.085	C	C	.	.			trans	-144.8	158.1	179.6	179	0	0	0	0	111.9	Q586 P591 P592 I593	Q586-S588 PolarHBondContact NE2-O 3.01Å; S588-P591 CarbonylContact C-O 3.47Å; S588-P591 VanDerWaalsContact CB-O 3.24Å; S588-P591 WeakPolarHBondContact CB-O 3.29Å; S588-P591 PolarHBondContact OG-O 2.96Å; S588-P592 CarbonylContact O-C 3.53Å; S588-P592 WeakPolarHBondContact O-CA 2.98Å; S588-I593 PolarHBondContact N-O 3.12Å; S588-I593 VanDerWaalsContact N-O 3.16Å; S588-I593 PolarHBondContact O-N 2.87Å
589	H	89.5	Confident	96.4	Very high	22 Å²	22	13.1 Å²	13.1	10%	0.102	7%	0.074	C	C	.	.	S	Bend	trans	-112.3	-36.4	177.7	-171.3	52.2	0	0	0	113.3	Y353 P591 P592	Y353-H589 AromaticContact CD1-CE1 3.24Å; Y353-H589 WeakPolarHBondContact CD1-CE1 3.32Å; Y353-H589 AromaticContact CD1-ND1 3.9Å; Y353-H589 AromaticContact CD1-NE2 3.85Å; Y353-H589 AromaticContact CE1-CE1 2.96Å; Y353-H589 WeakPolarHBondContact CE1-CE1 3.29Å; Y353-H589 AromaticContact CE1-CG 3.94Å; Y353-H589 AromaticContact CE1-ND1 3.26Å; Y353-H589 VanDerWaalsContact CE1-ND1 3.26Å; Y353-H589 WeakPolarHBondContact CE1-ND1 3.47Å; Y353-H589 AromaticContact CE1-NE2 3.44Å; Y353-H589 WeakPolarHBondContact CE1-NE2 3.38Å; Y353-H589 AromaticContact CZ-CD2 3.87Å; Y353-H589 AromaticContact CZ-CE1 3.54Å; Y353-H589 AromaticContact CZ-ND1 3.89Å; Y353-H589 AromaticContact CZ-NE2 3.49Å; Y353-H589 PolarHBondContact O-CE1 3.28Å; Y353-H589 PolarHBondContact O-NE2 3.13Å; Y353-H589 VanDerWaalsContact O-NE2 3.13Å; H589-P591 CarbonylContact C-O 3.59Å; H589-P591 VanDerWaalsContact C-O 3.24Å; H589-P591 PolarHBondContact N-O 3.44Å; H589-P591 CarbonylContact O-C 3.59Å; H589-P592 WeakPolarHBondContact O-CA 3.43Å; H589-P592 WeakPolarHBondContact O-CD 3.34Å; H589-P592 VanDerWaalsContact O-N 3.1Å
590	H	85.3	Confident	96.5	Very high	75 Å²	75	13 Å²	13	35%	0.347	7%	0.073	S	C	.	.	S	Bend	trans	-129.3	89.5	178.9	-66.8	-44.7	0	0	0	110.5
591	P	89.4	Confident	96.5	Very high	54 Å²	54	13.6 Å²	13.6	35%	0.351	8%	0.076	S	C	.	.	S	Bend	cis	-76	163.6	0.1	30.5	-32.3	0	0	0	113.1	S588 H589 I593 W612	S588-P591 CarbonylContact C-O 3.47Å; S588-P591 VanDerWaalsContact CB-O 3.24Å; S588-P591 WeakPolarHBondContact CB-O 3.29Å; S588-P591 PolarHBondContact OG-O 2.96Å; H589-P591 CarbonylContact C-O 3.59Å; H589-P591 VanDerWaalsContact C-O 3.24Å; H589-P591 PolarHBondContact N-O 3.44Å; H589-P591 CarbonylContact O-C 3.59Å; P591-I593 VanDerWaalsContact C-N 3.27Å; P591-I593 HydrophobicContact CG-CD1 4.01Å; P591-I593 HydrophobicContact CG-CG1 3.91Å; P591-I593 PolarHBondContact O-N 3.31Å; P591-W612 HydrophobicContact CB-CD2 4.01Å; P591-W612 HydrophobicContact CB-CE3 4.02Å; P591-W612 HydrophobicContact CB-CG 4.47Å; P591-W612 HydrophobicContact CB-CZ3 4.31Å
592	P	92.3	Very high	96.3	Very high	31 Å²	31	15.4 Å²	15.4	20%	0.201	9%	0.086	C	C	.	.			trans	-78.8	72.2	-176	32.6	-36.4	0	0	0	111.6	Q586 S588 H589 W612	Q586-P592 PolarHBondContact NE2-O 3.36Å; S588-P592 CarbonylContact O-C 3.53Å; S588-P592 WeakPolarHBondContact O-CA 2.98Å; H589-P592 WeakPolarHBondContact O-CA 3.43Å; H589-P592 WeakPolarHBondContact O-CD 3.34Å; H589-P592 VanDerWaalsContact O-N 3.1Å; P592-W612 VanDerWaalsContact O-CB 3.26Å; P592-W612 WeakPolarHBondContact O-CB 3.4Å
593	I	96.9	Very high	96.3	Very high	24 Å²	24	16.9 Å²	16.9	12%	0.123	9%	0.094	C	C	.	.	P	Polyproline II helix	trans	-79.3	126.6	-179.4	-50.4	170.6	0	0	0	110.6	Q586 V587 S588 P591 H610 W612	Q586-I593 PolarHBondContact NE2-O 2.99Å; V587-I593 HydrophobicContact CG2-CB 3.94Å; V587-I593 HydrophobicContact CG2-CG2 3.79Å; V587-I593 VanDerWaalsContact CG2-O 3.31Å; V587-I593 WeakPolarHBondContact CG2-O 3.4Å; V587-I593 PolarHBondContact N-O 3.42Å; S588-I593 PolarHBondContact N-O 3.12Å; S588-I593 VanDerWaalsContact N-O 3.16Å; S588-I593 PolarHBondContact O-N 2.87Å; P591-I593 VanDerWaalsContact C-N 3.27Å; P591-I593 HydrophobicContact CG-CD1 4.01Å; P591-I593 HydrophobicContact CG-CG1 3.91Å; P591-I593 PolarHBondContact O-N 3.31Å; I593-H610 HydrophobicContact CG2-CB 4.1Å; I593-W612 HydrophobicContact CG1-CB 4.43Å; I593-W612 HydrophobicContact CG1-CG 4.37Å
594	S	98.4	Very high	96.2	Very high	2 Å²	2	19.6 Å²	19.6	1%	0.014	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	129.5	163.7	-42.4	0	0	0	0	109.4	L483 E585 Q586 H610 L611	L483-S594 VanDerWaalsContact CD2-CB 3.48Å; L483-S594 WeakPolarHBondContact CD2-OG 3.36Å; E585-S594 CarbonylContact O-C 3.45Å; E585-S594 WeakPolarHBondContact O-CA 3.4Å; Q586-S594 PolarHBondContact OE1-OG 2.96Å; S594-H610 CarbonylContact O-C 3.51Å; S594-H610 VanDerWaalsContact O-CA 3.27Å; S594-H610 WeakPolarHBondContact O-CA 3.31Å; S594-L611 PolarHBondContact N-O 3.43Å; S594-L611 PolarHBondContact O-N 3.28Å
595	A	98.7	Very high	96.2	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	149.4	169	0	0	0	0	0	109.6	A584 E585 V587 G609 F802 W809	A584-A595 CarbonylContact C-O 3.59Å; A584-A595 VanDerWaalsContact CA-O 3.22Å; A584-A595 WeakPolarHBondContact CA-O 3.24Å; A584-A595 WeakPolarHBondContact CB-O 3.44Å; E585-A595 PolarHBondContact N-O 2.97Å; E585-A595 PolarHBondContact O-N 3.1Å; V587-A595 HydrophobicContact CG1-CB 3.63Å; V587-A595 HydrophobicContact CG2-CB 4.12Å; A595-G609 CarbonylContact C-O 3.56Å; A595-G609 WeakPolarHBondContact CA-O 3.27Å; A595-F802 HydrophobicContact CB-CB 4.21Å; A595-F802 HydrophobicContact CB-CD1 3.56Å; A595-F802 HydrophobicContact CB-CD2 3.96Å; A595-F802 HydrophobicContact CB-CE1 3.84Å; A595-F802 HydrophobicContact CB-CE2 4.23Å; A595-F802 HydrophobicContact CB-CG 3.63Å; A595-F802 HydrophobicContact CB-CZ 4.18Å; A595-W809 HydrophobicContact CB-CB 3.62Å; A595-W809 HydrophobicContact CB-CG 4.17Å
596	F	98.7	Very high	96.2	Very high	11 Å²	11	19.8 Å²	19.8	5%	0.048	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	154	174.5	64.2	-92.8	0	0	0	111.7	F582 L583 A584 V607 G609 L611 A630 F645	F582-F596 HydrophobicContact CE2-CB 3.76Å; F582-F596 AromaticContact CE2-CD2 3.93Å; F582-F596 HydrophobicContact CE2-CD2 3.93Å; F582-F596 HydrophobicContact CE2-CG 4.07Å; F582-F596 HydrophobicContact CZ-CB 3.7Å; F582-F596 HydrophobicContact CZ-CG 4.32Å; L583-F596 CarbonylContact O-C 3.56Å; L583-F596 VanDerWaalsContact O-CA 3.25Å; L583-F596 WeakPolarHBondContact O-CA 3.08Å; A584-F596 HydrophobicContact CB-CB 3.78Å; F596-V607 HydrophobicContact CE2-CG2 4.45Å; F596-G609 PolarHBondContact N-O 2.76Å; F596-G609 PolarHBondContact O-N 3.07Å; F596-L611 HydrophobicContact CE1-CD1 3.81Å; F596-L611 HydrophobicContact CE1-CG 4.03Å; F596-L611 HydrophobicContact CZ-CD1 4.46Å; F596-A630 HydrophobicContact CE2-CB 4.33Å; F596-A630 HydrophobicContact CZ-CB 4.01Å; F596-F645 HydrophobicContact CZ-CZ 4.37Å
597	Y	98.9	Very high	96.2	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	141.3	179.1	177.4	-96.1	0	0	0	110.1	P571 F582 L583 E599 A606 V607 D608 Y811 P814 L815	P571-Y597 HydrophobicContact CG-CD1 4.06Å; P571-Y597 HydrophobicContact CG-CE1 4.14Å; F582-Y597 CarbonylContact C-O 3.57Å; F582-Y597 WeakPolarHBondContact CA-O 3.35Å; L583-Y597 PolarHBondContact N-O 3.19Å; L583-Y597 PolarHBondContact O-N 3.02Å; Y597-E599 HydrophobicContact CE1-CB 3.92Å; Y597-E599 HydrophobicContact CE1-CG 3.88Å; Y597-E599 WeakPolarHBondContact CE1-OE2 3.32Å; Y597-E599 VanDerWaalsContact CZ-OE2 3.23Å; Y597-E599 PolarHBondContact OH-OE2 3.26Å; Y597-A606 HydrophobicContact CE2-CB 3.91Å; Y597-V607 CarbonylContact C-O 3.5Å; Y597-V607 WeakPolarHBondContact CA-O 3.26Å; Y597-V607 WeakPolarHBondContact CD2-O 3.42Å; Y597-D608 WeakPolarHBondContact CD2-OD1 3.2Å; Y597-Y811 AromaticContact CD1-CD1 3.58Å; Y597-Y811 HydrophobicContact CD1-CD1 3.58Å; Y597-Y811 HydrophobicContact CD1-CE1 4.08Å; Y597-Y811 AromaticContact CD1-CG 3.91Å; Y597-Y811 HydrophobicContact CD1-CG 3.91Å; Y597-Y811 HydrophobicContact CD2-CD1 4.14Å; Y597-Y811 HydrophobicContact CD2-CG 4.15Å; Y597-Y811 AromaticContact CE1-CD1 3.56Å; Y597-Y811 HydrophobicContact CE1-CD1 3.56Å; Y597-Y811 AromaticContact CE1-CE1 3.95Å; Y597-Y811 HydrophobicContact CE1-CE1 3.95Å; Y597-Y811 HydrophobicContact CE1-CG 4.33Å; Y597-Y811 HydrophobicContact CE2-CD1 4.12Å; Y597-Y811 AromaticContact CG-CD1 3.87Å; Y597-Y811 HydrophobicContact CG-CD1 3.87Å; Y597-Y811 AromaticContact CG-CG 3.8Å; Y597-Y811 HydrophobicContact CG-CG 3.8Å; Y597-Y811 AromaticContact CZ-CD1 3.84Å; Y597-P814 HydrophobicContact CE2-CB 4.37Å; Y597-L815 WeakPolarHBondContact OH-CB 3.08Å; Y597-L815 PolarHBondContact OH-N 3.47Å
598	A	98.9	Very high	96.2	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	155.8	168.5	0	0	0	0	0	111.9	L490 V581 F582 A606 V607	L490-A598 HydrophobicContact CD1-CB 3.39Å; V581-A598 CarbonylContact O-C 3.58Å; V581-A598 WeakPolarHBondContact O-CA 3.41Å; V581-A598 WeakPolarHBondContact O-CB 3.03Å; F582-A598 HydrophobicContact CB-CB 4.25Å; F582-A598 HydrophobicContact CD2-CB 4.11Å; A598-A606 CarbonylContact O-C 3.19Å; A598-A606 VanDerWaalsContact O-CA 3.23Å; A598-A606 WeakPolarHBondContact O-CA 3.38Å; A598-V607 HydrophobicContact CB-CG1 3.7Å; A598-V607 PolarHBondContact N-O 3.41Å; A598-V607 PolarHBondContact O-N 2.91Å
599	E	98.7	Very high	96.4	Very high	2 Å²	2	19.5 Å²	19.5	1%	0.009	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	155.5	179.2	62.4	-179.1	-140.3	0	0	112.8	P571 V580 V581 Y597 I605 A606 L815 R818	P571-E599 HydrophobicContact CG-CG 4.43Å; V580-E599 WeakPolarHBondContact CA-O 3.29Å; V581-E599 HydrophobicContact CG2-CG 3.34Å; V581-E599 PolarHBondContact N-O 2.96Å; V581-E599 PolarHBondContact O-N 3.07Å; Y597-E599 HydrophobicContact CE1-CB 3.92Å; Y597-E599 HydrophobicContact CE1-CG 3.88Å; Y597-E599 WeakPolarHBondContact CE1-OE2 3.32Å; Y597-E599 VanDerWaalsContact CZ-OE2 3.23Å; Y597-E599 PolarHBondContact OH-OE2 3.26Å; E599-I605 VanDerWaalsContact CA-O 3.31Å; E599-I605 WeakPolarHBondContact CA-O 3.45Å; E599-A606 HydrophobicContact CB-CB 4.37Å; E599-L815 HydrophobicContact CB-CD2 4.45Å; E599-R818 IonicContact OE1-CZ 2.63Å; E599-R818 IonicContact OE1-NH1 2.73Å; E599-R818 IonicContact OE1-NH2 2.77Å; E599-R818 PolarHBondContact OE1-NH2 3.43Å; E599-R818 IonicContact OE2-CZ 3.1Å; E599-R818 IonicContact OE2-NH2 3.32Å; E599-R818 PolarHBondContact OE2-NH2 2.88Å
600	H	98.3	Very high	96.8	Very high	3 Å²	3	19.5 Å²	19.5	1%	0.014	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	110.3	161	-179.8	-125	0	0	0	108.3	W496 A497 N578 S579 V580 N602 N603 Q604 I605	W496-H600 HydrophobicContact CZ3-CB 3.98Å; A497-H600 HydrophobicContact CB-CB 4.39Å; N578-H600 PolarHBondContact OD1-NE2 2.94Å; S579-H600 PolarHBondContact O-CD2 2.97Å; V580-H600 HydrophobicContact CG2-CB 4.17Å; H600-N602 VanDerWaalsContact C-N 3.33Å; H600-N602 PolarHBondContact O-N 2.79Å; H600-N603 VanDerWaalsContact CE1-CG 3.46Å; H600-N603 PolarHBondContact CE1-ND2 3.47Å; H600-N603 VanDerWaalsContact ND1-CB 3.31Å; H600-N603 WeakPolarHBondContact ND1-CB 3.42Å; H600-N603 VanDerWaalsContact ND1-CG 3.31Å; H600-N603 PolarHBondContact ND1-N 3.13Å; H600-N603 PolarHBondContact ND1-ND2 3.49Å; H600-Q604 PolarHBondContact O-N 2.98Å; H600-Q604 VanDerWaalsContact O-N 3.1Å; H600-I605 HydrophobicContact CB-CG2 3.8Å; H600-I605 PolarHBondContact N-O 2.66Å; H600-I605 PolarHBondContact O-N 3.15Å
601	V	97.6	Very high	97.3	Very high	13 Å²	13	16 Å²	16	8%	0.079	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-44.3	-174	176.1	0	0	0	0	111.3	L566 N603 Q604 L815	L566-V601 HydrophobicContact CB-CG1 4.43Å; L566-V601 HydrophobicContact CD2-CG1 3.55Å; L566-V601 HydrophobicContact CG-CG1 3.91Å; V601-N603 PolarHBondContact O-N 3.41Å; V601-Q604 WeakPolarHBondContact O-CG 3.45Å; V601-Q604 PolarHBondContact O-N 3.4Å; V601-Q604 VanDerWaalsContact O-N 3.1Å; V601-L815 HydrophobicContact CG1-CD1 4.46Å; V601-L815 HydrophobicContact CG2-CD1 4.13Å
602	N	95.1	Very high	97.5	Very high	51 Å²	51	16.5 Å²	16.5	27%	0.273	8%	0.083	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-38	-170.9	-57.1	-12.4	0	0	0	112.5	Q563 N578 H600	Q563-N602 PolarHBondContact NE2-OD1 3.5Å; N578-N602 PolarHBondContact OD1-ND2 2.93Å; H600-N602 VanDerWaalsContact C-N 3.33Å; H600-N602 PolarHBondContact O-N 2.79Å
603	N	97.4	Very high	97.5	Very high	33 Å²	33	16.9 Å²	16.9	18%	0.176	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	4.1	176.2	-63	-14.1	0	0	0	113	A497 P500 H600 V601 I605	A497-N603 VanDerWaalsContact O-CB 3.26Å; A497-N603 WeakPolarHBondContact O-CB 3.44Å; A497-N603 PolarHBondContact O-ND2 2.93Å; P500-N603 HydrophobicContact CG-CB 4.29Å; P500-N603 WeakPolarHBondContact CG-O 3.32Å; H600-N603 VanDerWaalsContact CE1-CG 3.46Å; H600-N603 PolarHBondContact CE1-ND2 3.47Å; H600-N603 VanDerWaalsContact ND1-CB 3.31Å; H600-N603 WeakPolarHBondContact ND1-CB 3.42Å; H600-N603 VanDerWaalsContact ND1-CG 3.31Å; H600-N603 PolarHBondContact ND1-N 3.13Å; H600-N603 PolarHBondContact ND1-ND2 3.49Å; V601-N603 PolarHBondContact O-N 3.41Å; N603-I605 VanDerWaalsContact C-N 3.32Å; N603-I605 HydrophobicContact CB-CG2 4.31Å; N603-I605 PolarHBondContact O-N 3.42Å
604	Q	97.9	Very high	97.2	Very high	57 Å²	57	19.7 Å²	19.7	27%	0.266	10%	0.096	S	C	.	.	T	Hydrogen-bonded Turn	trans	45.7	54.3	-178.7	-54.8	-173.4	29.7	0	0	113	H600 V601 L635 N636 L819	H600-Q604 PolarHBondContact O-N 2.98Å; H600-Q604 VanDerWaalsContact O-N 3.1Å; V601-Q604 WeakPolarHBondContact O-CG 3.45Å; V601-Q604 PolarHBondContact O-N 3.4Å; V601-Q604 VanDerWaalsContact O-N 3.1Å; Q604-L635 HydrophobicContact CB-CB 4.07Å; Q604-L635 HydrophobicContact CB-CD1 4.39Å; Q604-L635 WeakPolarHBondContact O-CB 3.13Å; Q604-L635 WeakPolarHBondContact O-CG 3.42Å; Q604-L635 PolarHBondContact O-N 3.47Å; Q604-N636 PolarHBondContact NE2-OD1 3.45Å; Q604-N636 PolarHBondContact OE1-OD1 3Å; Q604-L819 HydrophobicContact CG-CD1 4.25Å
605	I	98.8	Very high	96.7	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	138.5	174.7	-178.2	173.8	0	0	0	109.1	W496 I499 P500 E599 H600 N603 I632 S633 L634	W496-I605 HydrophobicContact CD2-CD1 3.97Å; W496-I605 HydrophobicContact CE3-CD1 4.43Å; W496-I605 HydrophobicContact CE3-CG2 4.18Å; W496-I605 HydrophobicContact CG-CD1 4.46Å; W496-I605 HydrophobicContact CH2-CB 4.22Å; W496-I605 HydrophobicContact CH2-CD1 4.25Å; W496-I605 HydrophobicContact CH2-CG1 3.78Å; W496-I605 HydrophobicContact CH2-CG2 3.79Å; W496-I605 HydrophobicContact CZ2-CB 4.46Å; W496-I605 HydrophobicContact CZ2-CD1 3.76Å; W496-I605 HydrophobicContact CZ2-CG1 3.53Å; W496-I605 HydrophobicContact CZ2-CG2 4.38Å; W496-I605 HydrophobicContact CZ3-CG1 4.39Å; W496-I605 HydrophobicContact CZ3-CG2 3.68Å; W496-I605 WeakPolarHBondContact O-CD1 3.38Å; I499-I605 HydrophobicContact CB-CD1 4.16Å; I499-I605 HydrophobicContact CD1-CD1 4.31Å; P500-I605 HydrophobicContact CG-CB 3.72Å; P500-I605 HydrophobicContact CG-CD1 4.18Å; P500-I605 HydrophobicContact CG-CG1 4.37Å; P500-I605 HydrophobicContact CG-CG2 4.2Å; E599-I605 VanDerWaalsContact CA-O 3.31Å; E599-I605 WeakPolarHBondContact CA-O 3.45Å; H600-I605 HydrophobicContact CB-CG2 3.8Å; H600-I605 PolarHBondContact N-O 2.66Å; H600-I605 PolarHBondContact O-N 3.15Å; N603-I605 VanDerWaalsContact C-N 3.32Å; N603-I605 HydrophobicContact CB-CG2 4.31Å; N603-I605 PolarHBondContact O-N 3.42Å; I605-I632 HydrophobicContact CD1-CG2 3.74Å; I605-I632 HydrophobicContact CG1-CG2 3.99Å; I605-S633 WeakPolarHBondContact CA-O 3.38Å; I605-L634 HydrophobicContact CB-CD2 4.49Å; I605-L634 HydrophobicContact CD1-CD2 3.56Å; I605-L634 HydrophobicContact CG1-CD2 3.8Å
606	A	98.8	Very high	96.2	Very high	4 Å²	4	24.6 Å²	24.6	3%	0.033	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	159.8	174.5	0	0	0	0	0	110.4	Y597 A598 E599 I632 S633	Y597-A606 HydrophobicContact CE2-CB 3.91Å; A598-A606 CarbonylContact O-C 3.19Å; A598-A606 VanDerWaalsContact O-CA 3.23Å; A598-A606 WeakPolarHBondContact O-CA 3.38Å; E599-A606 HydrophobicContact CB-CB 4.37Å; A606-I632 CarbonylContact O-C 3.59Å; A606-I632 WeakPolarHBondContact O-CA 3.31Å; A606-S633 PolarHBondContact N-O 2.99Å; A606-S633 PolarHBondContact O-N 3.16Å
607	V	98.7	Very high	95.5	Very high	4 Å²	4	24.5 Å²	24.5	2%	0.024	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	130.4	169.3	57.1	0	0	0	0	109.4	W496 F596 Y597 A598 A630 V631 I632	W496-V607 HydrophobicContact CH2-CG1 4.42Å; W496-V607 HydrophobicContact CZ2-CB 3.96Å; W496-V607 HydrophobicContact CZ2-CG1 3.68Å; F596-V607 HydrophobicContact CE2-CG2 4.45Å; Y597-V607 CarbonylContact C-O 3.5Å; Y597-V607 WeakPolarHBondContact CA-O 3.26Å; Y597-V607 WeakPolarHBondContact CD2-O 3.42Å; A598-V607 HydrophobicContact CB-CG1 3.7Å; A598-V607 PolarHBondContact N-O 3.41Å; A598-V607 PolarHBondContact O-N 2.91Å; V607-A630 HydrophobicContact CG2-CB 3.92Å; V607-V631 VanDerWaalsContact CA-O 3.27Å; V607-V631 WeakPolarHBondContact CA-O 3.1Å; V607-I632 HydrophobicContact CB-CG1 4.11Å; V607-I632 HydrophobicContact CG2-CG1 3.82Å
608	D	98.3	Very high	94.8	Very high	24 Å²	24	26.4 Å²	26.4	13%	0.128	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	133.7	168	-70.6	-95.8	0	0	0	107.8	Y597 A630 V631 Y811	Y597-D608 WeakPolarHBondContact CD2-OD1 3.2Å; D608-A630 CarbonylContact O-C 3.53Å; D608-A630 VanDerWaalsContact O-CA 3.29Å; D608-A630 WeakPolarHBondContact O-CA 3.34Å; D608-V631 PolarHBondContact N-O 3.41Å; D608-V631 VanDerWaalsContact N-O 3.1Å; D608-V631 PolarHBondContact O-N 3.24Å; D608-Y811 PolarHBondContact OD1-N 2.85Å
609	G	98	Very high	93.9	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	157.2	178.9	0	0	0	0	0	112.8	A595 F596 S629	A595-G609 CarbonylContact C-O 3.56Å; A595-G609 WeakPolarHBondContact CA-O 3.27Å; F596-G609 PolarHBondContact N-O 2.76Å; F596-G609 PolarHBondContact O-N 3.07Å; G609-S629 WeakPolarHBondContact CA-O 3.41Å
610	H	97.7	Very high	93	Very high	22 Å²	22	29.1 Å²	29.1	10%	0.102	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	136.6	174.5	62.3	-79.7	0	0	0	109.6	I593 S594 G628 S629 N808 W809	I593-H610 HydrophobicContact CG2-CB 4.1Å; S594-H610 CarbonylContact O-C 3.51Å; S594-H610 VanDerWaalsContact O-CA 3.27Å; S594-H610 WeakPolarHBondContact O-CA 3.31Å; H610-G628 WeakPolarHBondContact O-CA 3.4Å; H610-S629 PolarHBondContact N-O 3.03Å; H610-S629 PolarHBondContact O-N 2.78Å; H610-N808 PolarHBondContact CE1-OD1 2.77Å; H610-N808 VanDerWaalsContact CE1-OD1 3.3Å; H610-W809 HydrophobicContact CB-CB 4.21Å; H610-W809 HydrophobicContact CB-CG 4.35Å
611	L	96.2	Very high	92.4	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	145.6	-177.9	-68.9	171.5	0	0	0	111.4	Y486 F489 S594 F596 M626 V627 F645	Y486-L611 HydrophobicContact CD1-CD1 4.03Å; Y486-L611 HydrophobicContact CE1-CB 4.36Å; Y486-L611 HydrophobicContact CE1-CD1 3.84Å; Y486-L611 HydrophobicContact CE2-CB 3.93Å; Y486-L611 HydrophobicContact CE2-CD1 4.44Å; Y486-L611 HydrophobicContact CG-CD1 4.42Å; F489-L611 HydrophobicContact CE2-CD1 4.38Å; S594-L611 PolarHBondContact N-O 3.43Å; S594-L611 PolarHBondContact O-N 3.28Å; F596-L611 HydrophobicContact CE1-CD1 3.81Å; F596-L611 HydrophobicContact CE1-CG 4.03Å; F596-L611 HydrophobicContact CZ-CD1 4.46Å; L611-M626 HydrophobicContact CD1-CE 4.35Å; L611-V627 WeakPolarHBondContact CA-O 3.04Å; L611-F645 HydrophobicContact CD1-CD2 4.22Å; L611-F645 HydrophobicContact CD1-CE2 4.06Å; L611-F645 HydrophobicContact CD1-CZ 4.2Å; L611-F645 HydrophobicContact CD2-CD2 3.37Å; L611-F645 HydrophobicContact CD2-CE2 3.6Å; L611-F645 HydrophobicContact CD2-CG 4.16Å; L611-F645 HydrophobicContact CG-CD2 4.33Å; L611-F645 HydrophobicContact CG-CE2 4.18Å
612	W	94.3	Very high	91.9	Very high	65 Å²	65	30.1 Å²	30.1	25%	0.246	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	164.2	161	63.8	-78.8	0	0	0	109.3	P591 P592 I593 K614 V627	P591-W612 HydrophobicContact CB-CD2 4.01Å; P591-W612 HydrophobicContact CB-CE3 4.02Å; P591-W612 HydrophobicContact CB-CG 4.47Å; P591-W612 HydrophobicContact CB-CZ3 4.31Å; P592-W612 VanDerWaalsContact O-CB 3.26Å; P592-W612 WeakPolarHBondContact O-CB 3.4Å; I593-W612 HydrophobicContact CG1-CB 4.43Å; I593-W612 HydrophobicContact CG1-CG 4.37Å; W612-K614 HydrophobicContact CH2-CB 4.44Å; W612-K614 HydrophobicContact CZ3-CB 3.97Å; W612-V627 HydrophobicContact CD2-CB 4.03Å; W612-V627 HydrophobicContact CD2-CG1 4.5Å; W612-V627 HydrophobicContact CD2-CG2 4.44Å; W612-V627 HydrophobicContact CG-CB 4.28Å; W612-V627 HydrophobicContact CH2-CG2 4.35Å; W612-V627 HydrophobicContact CZ2-CB 3.97Å; W612-V627 HydrophobicContact CZ2-CG1 3.74Å; W612-V627 HydrophobicContact CZ2-CG2 4.04Å; W612-V627 PolarHBondContact N-O 3.25Å; W612-V627 VanDerWaalsContact NE1-CG1 3.33Å; W612-V627 PolarHBondContact O-N 3.11Å
613	T	91.5	Very high	91.7	Very high	40 Å²	40	28.4 Å²	28.4	25%	0.245	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	135.4	-174.8	64.7	0	0	0	0	111.6	V624 E625 M626	T613-V624 HydrophobicContact CG2-CG1 3.97Å; T613-E625 VanDerWaalsContact CA-O 3.32Å; T613-E625 WeakPolarHBondContact CA-O 3.33Å; T613-M626 HydrophobicContact CG2-CE 4.45Å; T613-M626 HydrophobicContact CG2-SD 3.6Å
614	K	89.8	Confident	91.5	Very high	82 Å²	82	28.6 Å²	28.6	36%	0.357	15%	0.148	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	118.1	169	-172.3	174.1	-173.4	168.7	0	109.1	W612 E625 V627	W612-K614 HydrophobicContact CH2-CB 4.44Å; W612-K614 HydrophobicContact CZ3-CB 3.97Å; K614-E625 HydrophobicContact CB-CB 4.31Å; K614-E625 PolarHBondContact N-O 2.86Å; K614-E625 PolarHBondContact O-N 2.98Å; K614-V627 HydrophobicContact CB-CG2 4.43Å
615	S	89.1	Confident	91.3	Very high	17 Å²	17	30 Å²	30	12%	0.119	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	130.8	-173.6	-63.8	0	0	0	0	111.7	D466 L467 A623	D466-S615 WeakPolarHBondContact CA-O 3.39Å; L467-S615 PolarHBondContact N-O 2.81Å; S615-A623 CarbonylContact C-O 3.5Å; S615-A623 VanDerWaalsContact CA-O 3.26Å; S615-A623 WeakPolarHBondContact CA-O 2.91Å
616	K	87.3	Confident	91	Very high	88 Å²	88	31.6 Å²	31.6	38%	0.383	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	133.7	178.3	-67.4	-179.4	-177.3	171.1	0	111.3	I622 A623	K616-I622 WeakPolarHBondContact O-CA 3.11Å; K616-A623 PolarHBondContact N-O 2.69Å; K616-A623 PolarHBondContact O-N 3.29Å
617	F	85.4	Confident	90.8	Very high	10 Å²	10	33.3 Å²	33.3	4%	0.044	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	128.8	172.5	-178.8	-118.7	0	0	0	111.8	L458 L461 R462 I463 G464 M465 L467 G619 I622 I653	L458-F617 HydrophobicContact CB-CZ 4.42Å; L458-F617 HydrophobicContact CD2-CD2 4.38Å; L458-F617 HydrophobicContact CD2-CE2 3.8Å; L458-F617 HydrophobicContact CD2-CZ 4.43Å; L461-F617 HydrophobicContact CB-CD1 3.43Å; L461-F617 VanDerWaalsContact CB-CD1 3.43Å; L461-F617 HydrophobicContact CB-CD2 4.49Å; L461-F617 HydrophobicContact CB-CE1 3.51Å; L461-F617 HydrophobicContact CB-CG 3.93Å; L461-F617 HydrophobicContact CB-CZ 4.07Å; L461-F617 HydrophobicContact CD1-CB 4.26Å; L461-F617 HydrophobicContact CD1-CD1 4.08Å; L461-F617 HydrophobicContact CD1-CD2 3.63Å; L461-F617 HydrophobicContact CD1-CE1 4.27Å; L461-F617 HydrophobicContact CD1-CE2 3.84Å; L461-F617 HydrophobicContact CD1-CG 3.73Å; L461-F617 HydrophobicContact CD1-CZ 4.12Å; L461-F617 HydrophobicContact CG-CD1 4.43Å; R462-F617 WeakPolarHBondContact O-CD1 3.46Å; I463-F617 HydrophobicContact CG1-CE1 4.48Å; G464-F617 PolarHBondContact N-O 2.98Å; M465-F617 PolarHBondContact O-N 2.98Å; L467-F617 HydrophobicContact CD1-CB 4.37Å; L467-F617 HydrophobicContact CD2-CB 4Å; L467-F617 HydrophobicContact CG-CB 4.22Å; F617-G619 WeakPolarHBondContact CE2-O 3.5Å; F617-G619 VanDerWaalsContact CZ-C 3.5Å; F617-G619 WeakPolarHBondContact CZ-O 3.2Å; F617-I622 HydrophobicContact CD2-CG1 4.42Å; F617-I653 HydrophobicContact CD2-CD1 4.26Å; F617-I653 HydrophobicContact CE2-CD1 3.62Å
618	L	83.2	Confident	90.6	Very high	40 Å²	40	34.2 Å²	34.2	21%	0.209	18%	0.183	C	C	.	.			trans	-117	30.1	-179.3	-56.5	-178	0	0	0	111.7	V125 L620 S621 A623 Y649	V125-L618 HydrophobicContact CG1-CB 4.02Å; V125-L618 WeakPolarHBondContact CG1-O 3.38Å; L618-L620 PolarHBondContact O-N 3.37Å; L618-S621 WeakPolarHBondContact CA-O 3.36Å; L618-S621 WeakPolarHBondContact CB-O 3.48Å; L618-S621 PolarHBondContact N-O 2.99Å; L618-A623 HydrophobicContact CD1-CB 3.78Å; L618-A623 HydrophobicContact CG-CB 4.27Å; L618-Y649 HydrophobicContact CD1-CD1 4.4Å; L618-Y649 HydrophobicContact CD1-CE1 4.41Å
619	G	79.8	Confident	90.5	Very high	17 Å²	17	34.1 Å²	34.1	18%	0.175	18%	0.183	C	C	.	.	S	Bend	trans	82.7	-72.7	178.1	0	0	0	0	0	112.8	F617	F617-G619 WeakPolarHBondContact CE2-O 3.5Å; F617-G619 VanDerWaalsContact CZ-C 3.5Å; F617-G619 WeakPolarHBondContact CZ-O 3.2Å
620	L	79.2	Confident	90.5	Very high	41 Å²	41	34.3 Å²	34.3	22%	0.215	19%	0.185	C	C	.	.	S	Bend	trans	-109.2	5.4	175.5	-58.8	-165.3	0	0	0	114	A129 I133 L618 I653 L654	A129-L620 HydrophobicContact CB-CB 3.67Å; A129-L620 HydrophobicContact CB-CD1 3.17Å; A129-L620 HydrophobicContact CB-CG 3.29Å; I133-L620 HydrophobicContact CD1-CD1 3.45Å; I133-L620 VanDerWaalsContact CD1-CD1 3.45Å; I133-L620 HydrophobicContact CG1-CD1 4.06Å; L618-L620 PolarHBondContact O-N 3.37Å; L620-I653 WeakPolarHBondContact O-CG1 3.45Å; L620-L654 HydrophobicContact CD2-CD1 3.47Å; L620-L654 VanDerWaalsContact CD2-CD1 3.47Å; L620-L654 HydrophobicContact CD2-CG 4.26Å
621	S	85.5	Confident	90.6	Very high	9 Å²	9	34.8 Å²	34.8	6%	0.063	19%	0.19	C	C	.	.			trans	-144	167.1	175	57	0	0	0	0	110.9	L618 G650	L618-S621 WeakPolarHBondContact CA-O 3.36Å; L618-S621 WeakPolarHBondContact CB-O 3.48Å; L618-S621 PolarHBondContact N-O 2.99Å; S621-G650 CarbonylContact C-O 3.51Å; S621-G650 WeakPolarHBondContact CA-O 3.49Å; S621-G650 WeakPolarHBondContact CB-O 3.47Å
622	I	88	Confident	90.7	Very high	28 Å²	28	34.8 Å²	34.8	14%	0.144	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	126	175.9	-64.8	172.7	0	0	0	106.9	L467 K616 F617 V624 Y649 G650 I653	L467-I622 HydrophobicContact CD1-CB 4.06Å; L467-I622 HydrophobicContact CD1-CD1 3.6Å; L467-I622 HydrophobicContact CD1-CG1 3.58Å; L467-I622 HydrophobicContact CD1-CG2 3.41Å; L467-I622 VanDerWaalsContact CD1-CG2 3.41Å; K616-I622 WeakPolarHBondContact O-CA 3.11Å; F617-I622 HydrophobicContact CD2-CG1 4.42Å; I622-V624 HydrophobicContact CG2-CG2 4.09Å; I622-Y649 CarbonylContact O-C 3.56Å; I622-Y649 VanDerWaalsContact O-CA 3.24Å; I622-Y649 WeakPolarHBondContact O-CA 3.13Å; I622-G650 PolarHBondContact N-O 3.38Å; I622-G650 PolarHBondContact O-N 3.18Å; I622-I653 HydrophobicContact CD1-CG2 4.17Å; I622-I653 HydrophobicContact CG1-CD1 4.3Å; I622-I653 HydrophobicContact CG1-CG2 4.22Å
623	A	91.3	Very high	90.9	Very high	16 Å²	16	32.4 Å²	32.4	13%	0.132	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	134.1	169.4	0	0	0	0	0	109.6	S615 K616 L618 Y649	S615-A623 CarbonylContact C-O 3.5Å; S615-A623 VanDerWaalsContact CA-O 3.26Å; S615-A623 WeakPolarHBondContact CA-O 2.91Å; K616-A623 PolarHBondContact N-O 2.69Å; K616-A623 PolarHBondContact O-N 3.29Å; L618-A623 HydrophobicContact CD1-CB 3.78Å; L618-A623 HydrophobicContact CG-CB 4.27Å; A623-Y649 HydrophobicContact CB-CD1 3.79Å; A623-Y649 HydrophobicContact CB-CE1 3.66Å
624	V	92.3	Very high	91.3	Very high	36 Å²	36	30.6 Å²	30.6	22%	0.218	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	108.6	176.1	-175.1	0	0	0	0	107.4	T613 I622 M626 C647 G648	T613-V624 HydrophobicContact CG2-CG1 3.97Å; I622-V624 HydrophobicContact CG2-CG2 4.09Å; V624-M626 HydrophobicContact CG1-SD 4.37Å; V624-C647 CarbonylContact O-C 3.53Å; V624-C647 VanDerWaalsContact O-CA 3.29Å; V624-C647 WeakPolarHBondContact O-CA 3.35Å; V624-G648 PolarHBondContact N-O 3.36Å; V624-G648 PolarHBondContact O-N 2.97Å
625	E	93.6	Very high	91.7	Very high	87 Å²	87	28.2 Å²	28.2	41%	0.407	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	127	173.5	-175.9	176.3	-171.9	0	0	109	T613 K614 V627	T613-E625 VanDerWaalsContact CA-O 3.32Å; T613-E625 WeakPolarHBondContact CA-O 3.33Å; K614-E625 HydrophobicContact CB-CB 4.31Å; K614-E625 PolarHBondContact N-O 2.86Å; K614-E625 PolarHBondContact O-N 2.98Å; E625-V627 HydrophobicContact CG-CG2 3.95Å; E625-V627 PolarHBondContact O-N 3.17Å
626	M	93	Very high	92	Very high	33 Å²	33	31.9 Å²	31.9	16%	0.163	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	97.5	177.3	-59.2	-66.7	-75.3	0	0	107.9	Y486 L611 T613 V624 F645 P646	Y486-M626 HydrophobicContact CE1-CE 3.69Å; L611-M626 HydrophobicContact CD1-CE 4.35Å; T613-M626 HydrophobicContact CG2-CE 4.45Å; T613-M626 HydrophobicContact CG2-SD 3.6Å; V624-M626 HydrophobicContact CG1-SD 4.37Å; M626-F645 HydrophobicContact CB-CB 3.82Å; M626-F645 HydrophobicContact CG-CB 4.48Å; M626-P646 VanDerWaalsContact CG-O 3.24Å; M626-P646 WeakPolarHBondContact CG-O 3.09Å
627	V	93.9	Very high	92.5	Very high	41 Å²	41	30.4 Å²	30.4	25%	0.248	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	130.3	-175.6	-174.2	0	0	0	0	109.5	L611 W612 K614 E625	L611-V627 WeakPolarHBondContact CA-O 3.04Å; W612-V627 HydrophobicContact CD2-CB 4.03Å; W612-V627 HydrophobicContact CD2-CG1 4.5Å; W612-V627 HydrophobicContact CD2-CG2 4.44Å; W612-V627 HydrophobicContact CG-CB 4.28Å; W612-V627 HydrophobicContact CH2-CG2 4.35Å; W612-V627 HydrophobicContact CZ2-CB 3.97Å; W612-V627 HydrophobicContact CZ2-CG1 3.74Å; W612-V627 HydrophobicContact CZ2-CG2 4.04Å; W612-V627 PolarHBondContact N-O 3.25Å; W612-V627 VanDerWaalsContact NE1-CG1 3.33Å; W612-V627 PolarHBondContact O-N 3.11Å; K614-V627 HydrophobicContact CB-CG2 4.43Å; E625-V627 HydrophobicContact CG-CG2 3.95Å; E625-V627 PolarHBondContact O-N 3.17Å
628	G	95.4	Very high	93.1	Very high	23 Å²	23	35.5 Å²	35.5	24%	0.237	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	124.5	-170.4	-179	0	0	0	0	0	112.2	H610	H610-G628 WeakPolarHBondContact O-CA 3.4Å
629	S	96.5	Very high	93.8	Very high	21 Å²	21	34.1 Å²	34.1	15%	0.147	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	170.4	-176.8	63.5	0	0	0	0	111.2	G609 H610 V643	G609-S629 WeakPolarHBondContact CA-O 3.41Å; H610-S629 PolarHBondContact N-O 3.03Å; H610-S629 PolarHBondContact O-N 2.78Å; S629-V643 CarbonylContact C-O 3.56Å; S629-V643 VanDerWaalsContact CA-O 3.26Å; S629-V643 WeakPolarHBondContact CA-O 3.15Å; S629-V643 VanDerWaalsContact CB-O 3.31Å; S629-V643 WeakPolarHBondContact CB-O 3.26Å
630	A	98.2	Very high	94.7	Very high	4 Å²	4	38.9 Å²	38.9	3%	0.033	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	147.3	169	0	0	0	0	0	110.3	F596 V607 D608 V642 V643 F645	F596-A630 HydrophobicContact CE2-CB 4.33Å; F596-A630 HydrophobicContact CZ-CB 4.01Å; V607-A630 HydrophobicContact CG2-CB 3.92Å; D608-A630 CarbonylContact O-C 3.53Å; D608-A630 VanDerWaalsContact O-CA 3.29Å; D608-A630 WeakPolarHBondContact O-CA 3.34Å; A630-V642 CarbonylContact O-C 3.54Å; A630-V642 WeakPolarHBondContact O-CA 3.4Å; A630-V643 PolarHBondContact N-O 3.47Å; A630-V643 PolarHBondContact O-N 3.03Å; A630-F645 HydrophobicContact CB-CE2 4.23Å; A630-F645 HydrophobicContact CB-CZ 3.92Å
631	V	98.5	Very high	95.7	Very high	33 Å²	33	37 Å²	37	20%	0.2	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	111.1	178.5	-176.2	0	0	0	0	108.3	V607 D608 E640 Y641 V642	V607-V631 VanDerWaalsContact CA-O 3.27Å; V607-V631 WeakPolarHBondContact CA-O 3.1Å; D608-V631 PolarHBondContact N-O 3.41Å; D608-V631 VanDerWaalsContact N-O 3.1Å; D608-V631 PolarHBondContact O-N 3.24Å; V631-E640 HydrophobicContact CG1-CB 3.89Å; V631-E640 HydrophobicContact CG1-CG 4.09Å; V631-Y641 WeakPolarHBondContact CA-O 3.35Å; V631-V642 HydrophobicContact CG2-CG2 4.37Å
632	I	98.8	Very high	96.3	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	118.9	175.6	-57.2	165.9	0	0	0	108.3	W515 I605 A606 V607 L634 E640 Y641 V643	W515-I632 HydrophobicContact CE3-CD1 3.96Å; W515-I632 HydrophobicContact CH2-CD1 3.79Å; W515-I632 HydrophobicContact CZ3-CD1 3.29Å; I605-I632 HydrophobicContact CD1-CG2 3.74Å; I605-I632 HydrophobicContact CG1-CG2 3.99Å; A606-I632 CarbonylContact O-C 3.59Å; A606-I632 WeakPolarHBondContact O-CA 3.31Å; V607-I632 HydrophobicContact CB-CG1 4.11Å; V607-I632 HydrophobicContact CG2-CG1 3.82Å; I632-L634 HydrophobicContact CG2-CD2 3.99Å; I632-E640 CarbonylContact O-C 3.57Å; I632-E640 WeakPolarHBondContact O-CA 3.48Å; I632-Y641 PolarHBondContact N-O 3.27Å; I632-Y641 PolarHBondContact O-N 3.43Å; I632-V643 HydrophobicContact CD1-CG2 3.94Å
633	S	98.8	Very high	96.8	Very high	15 Å²	15	37.8 Å²	37.8	11%	0.105	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	115.1	-175.4	-59.4	0	0	0	0	110.2	I605 A606	I605-S633 WeakPolarHBondContact CA-O 3.38Å; A606-S633 PolarHBondContact N-O 2.99Å; A606-S633 PolarHBondContact O-N 3.16Å
634	L	98.8	Very high	97.1	Very high	1 Å²	1	39 Å²	39	1%	0.005	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	91.7	173.3	-44.5	-172.7	0	0	0	108.3	I499 P500 R508 I605 I632 N636 H637 D638 E639 Y641	I499-L634 HydrophobicContact CB-CD2 4.33Å; I499-L634 HydrophobicContact CG2-CD1 3.83Å; I499-L634 HydrophobicContact CG2-CD2 3.78Å; I499-L634 HydrophobicContact CG2-CG 4.48Å; P500-L634 HydrophobicContact CG-CD2 3.98Å; R508-L634 HydrophobicContact CB-CD1 4.29Å; R508-L634 HydrophobicContact CG-CD1 4.49Å; I605-L634 HydrophobicContact CB-CD2 4.49Å; I605-L634 HydrophobicContact CD1-CD2 3.56Å; I605-L634 HydrophobicContact CG1-CD2 3.8Å; I632-L634 HydrophobicContact CG2-CD2 3.99Å; L634-N636 VanDerWaalsContact C-N 3.32Å; L634-N636 PolarHBondContact O-N 3.37Å; L634-H637 HydrophobicContact CB-CB 4.36Å; L634-H637 CarbonylContact O-C 3.36Å; L634-H637 PolarHBondContact O-N 2.93Å; L634-D638 PolarHBondContact O-N 3.19Å; L634-E639 HydrophobicContact CB-CB 4.35Å; L634-E639 PolarHBondContact N-O 3.41Å; L634-E639 PolarHBondContact O-N 3.36Å; L634-Y641 HydrophobicContact CD1-CD2 4.17Å; L634-Y641 HydrophobicContact CD1-CE2 3.44Å; L634-Y641 VanDerWaalsContact CD1-CE2 3.44Å; L634-Y641 HydrophobicContact CG-CD2 4.15Å; L634-Y641 HydrophobicContact CG-CE2 3.87Å
635	L	98.2	Very high	97.3	Very high	32 Å²	32	38.2 Å²	38.2	17%	0.168	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-65.1	-36.2	-165.4	-51.6	-176.8	0	0	0	112.5	Q604 H637 D638 L815 I816 L819	Q604-L635 HydrophobicContact CB-CB 4.07Å; Q604-L635 HydrophobicContact CB-CD1 4.39Å; Q604-L635 WeakPolarHBondContact O-CB 3.13Å; Q604-L635 WeakPolarHBondContact O-CG 3.42Å; Q604-L635 PolarHBondContact O-N 3.47Å; L635-H637 PolarHBondContact O-N 2.84Å; L635-D638 PolarHBondContact O-N 3.16Å; L635-L815 HydrophobicContact CD1-CB 4.03Å; L635-L815 HydrophobicContact CD1-CD2 3.87Å; L635-L815 HydrophobicContact CD1-CG 3.77Å; L635-I816 HydrophobicContact CD1-CB 4.1Å; L635-I816 HydrophobicContact CD2-CB 4.02Å; L635-I816 HydrophobicContact CD2-CD1 4.23Å; L635-I816 HydrophobicContact CD2-CG1 4.42Å; L635-L819 HydrophobicContact CD1-CD1 3.77Å
636	N	96.6	Very high	97.5	Very high	94 Å²	94	34.4 Å²	34.4	50%	0.503	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-65.4	-17.9	176.1	-75.7	-37.6	0	0	0	114.1	Q604 L634	Q604-N636 PolarHBondContact NE2-OD1 3.45Å; Q604-N636 PolarHBondContact OE1-OD1 3Å; L634-N636 VanDerWaalsContact C-N 3.32Å; L634-N636 PolarHBondContact O-N 3.37Å
637	H	98.1	Very high	97.5	Very high	57 Å²	57	34.2 Å²	34.2	26%	0.264	19%	0.193	S	C	.	.	G	3₁₀ helix	trans	-111.5	-7.4	179.5	-61.1	-82.4	0	0	0	112.4	P500 R508 L634 L635 E639 K671	P500-H637 PolarHBondContact O-NE2 3.44Å; R508-H637 VanDerWaalsContact CZ-ND1 3.28Å; R508-H637 PolarHBondContact NH1-CE1 3.26Å; R508-H637 PolarHBondContact NH1-ND1 3.44Å; R508-H637 PolarHBondContact NH2-ND1 2.86Å; L634-H637 HydrophobicContact CB-CB 4.36Å; L634-H637 CarbonylContact O-C 3.36Å; L634-H637 PolarHBondContact O-N 2.93Å; L635-H637 PolarHBondContact O-N 2.84Å; H637-E639 HydrophobicContact CB-CB 4.17Å; H637-E639 HydrophobicContact CB-CG 3.88Å; H637-E639 PolarHBondContact O-N 3.08Å; H637-K671 PolarHBondContact O-NZ 3.41Å
638	D	97.5	Very high	97.5	Very high	118 Å²	118	32.8 Å²	32.8	63%	0.631	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	50	47.5	-170.1	170.3	59.1	0	0	0	109.8	L634 L635 K671	L634-D638 PolarHBondContact O-N 3.19Å; L635-D638 PolarHBondContact O-N 3.16Å; D638-K671 VanDerWaalsContact CG-NZ 3.33Å; D638-K671 WeakPolarHBondContact O-CD 3.46Å; D638-K671 WeakPolarHBondContact O-CE 3.33Å; D638-K671 PolarHBondContact O-NZ 3.23Å; D638-K671 IonicContact OD2-NZ 2.72Å; D638-K671 PolarHBondContact OD2-NZ 2.84Å
639	E	98.7	Very high	97.3	Very high	10 Å²	10	34.2 Å²	34.2	5%	0.047	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	133.1	-178.9	-76	175.5	177.6	0	0	110.8	R508 L634 H637 Y641 K671 T672	R508-E639 IonicContact CZ-OE1 2.75Å; R508-E639 IonicContact CZ-OE2 2.65Å; R508-E639 IonicContact NE-OE1 3.5Å; R508-E639 IonicContact NE-OE2 3.3Å; R508-E639 PolarHBondContact NE-OE2 2.93Å; R508-E639 IonicContact NH2-OE1 3.8Å; R508-E639 PolarHBondContact NH2-OE1 3.25Å; R508-E639 IonicContact NH2-OE2 3.62Å; R508-E639 PolarHBondContact NH2-OE2 3.4Å; R508-E639 VanDerWaalsContact NH2-OE2 3.1Å; L634-E639 HydrophobicContact CB-CB 4.35Å; L634-E639 PolarHBondContact N-O 3.41Å; L634-E639 PolarHBondContact O-N 3.36Å; H637-E639 HydrophobicContact CB-CB 4.17Å; H637-E639 HydrophobicContact CB-CG 3.88Å; H637-E639 PolarHBondContact O-N 3.08Å; E639-Y641 HydrophobicContact CB-CE2 3.89Å; E639-Y641 PolarHBondContact OE2-OH 3.35Å; E639-K671 HydrophobicContact CG-CD 4.11Å; E639-T672 VanDerWaalsContact CD-CG2 3.5Å; E639-T672 HydrophobicContact CG-CG2 3.92Å; E639-T672 WeakPolarHBondContact OE1-CG2 3.39Å
640	E	98.7	Very high	97	Very high	118 Å²	118	33.7 Å²	33.7	55%	0.551	18%	0.183	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-115.8	132	175.2	-68.3	-179.2	163.7	0	0	110	V631 I632 C669	V631-E640 HydrophobicContact CG1-CB 3.89Å; V631-E640 HydrophobicContact CG1-CG 4.09Å; I632-E640 CarbonylContact O-C 3.57Å; I632-E640 WeakPolarHBondContact O-CA 3.48Å; E640-C669 VanDerWaalsContact O-CA 3.32Å; E640-C669 WeakPolarHBondContact O-CA 3.31Å; E640-C669 WeakPolarHBondContact O-CB 3.39Å; E640-C669 PolarHBondContact O-SG 2.78Å
641	Y	98.9	Very high	96.4	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	109.8	176.5	-66.4	-103.8	0	0	0	109.1	R508 M509 C512 V631 I632 L634 E639 I667 T668 C669	R508-Y641 WeakPolarHBondContact CB-OH 3.36Å; M509-Y641 HydrophobicContact CB-CE1 4.23Å; M509-Y641 HydrophobicContact CE-CD1 3.88Å; M509-Y641 HydrophobicContact CE-CE1 3.77Å; M509-Y641 HydrophobicContact SD-CD1 4.27Å; M509-Y641 HydrophobicContact SD-CE1 4.1Å; C512-Y641 HydrophobicContact CB-CD1 4.42Å; V631-Y641 WeakPolarHBondContact CA-O 3.35Å; I632-Y641 PolarHBondContact N-O 3.27Å; I632-Y641 PolarHBondContact O-N 3.43Å; L634-Y641 HydrophobicContact CD1-CD2 4.17Å; L634-Y641 HydrophobicContact CD1-CE2 3.44Å; L634-Y641 VanDerWaalsContact CD1-CE2 3.44Å; L634-Y641 HydrophobicContact CG-CD2 4.15Å; L634-Y641 HydrophobicContact CG-CE2 3.87Å; E639-Y641 HydrophobicContact CB-CE2 3.89Å; E639-Y641 PolarHBondContact OE2-OH 3.35Å; Y641-I667 HydrophobicContact CD1-CG2 3.98Å; Y641-T668 CarbonylContact C-O 3.57Å; Y641-T668 WeakPolarHBondContact CA-O 3.42Å; Y641-C669 HydrophobicContact CD1-CB 3.79Å; Y641-C669 HydrophobicContact CE1-CB 3.76Å; Y641-C669 HydrophobicContact CE2-CB 4.49Å; Y641-C669 HydrophobicContact CG-CB 4.19Å
642	V	98.7	Very high	95.6	Very high	54 Å²	54	35.3 Å²	35.3	33%	0.327	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	125.1	176.1	-174.5	0	0	0	0	109.3	A630 V631 I667 T668	A630-V642 CarbonylContact O-C 3.54Å; A630-V642 WeakPolarHBondContact O-CA 3.4Å; V631-V642 HydrophobicContact CG2-CG2 4.37Å; V642-I667 CarbonylContact O-C 3.45Å; V642-I667 WeakPolarHBondContact O-CA 3.33Å; V642-T668 PolarHBondContact N-O 3.32Å; V642-T668 PolarHBondContact O-N 3.28Å
643	V	98.5	Very high	94.6	Very high	1 Å²	1	36 Å²	36	1%	0.006	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	134.9	-175.4	-175.3	0	0	0	0	110.1	Y516 S629 A630 I632 S666 I667	Y516-V643 HydrophobicContact CD2-CG1 3.48Å; Y516-V643 VanDerWaalsContact CD2-CG1 3.48Å; Y516-V643 HydrophobicContact CE2-CG1 3.24Å; S629-V643 CarbonylContact C-O 3.56Å; S629-V643 VanDerWaalsContact CA-O 3.26Å; S629-V643 WeakPolarHBondContact CA-O 3.15Å; S629-V643 VanDerWaalsContact CB-O 3.31Å; S629-V643 WeakPolarHBondContact CB-O 3.26Å; A630-V643 PolarHBondContact N-O 3.47Å; A630-V643 PolarHBondContact O-N 3.03Å; I632-V643 HydrophobicContact CD1-CG2 3.94Å; V643-S666 WeakPolarHBondContact CA-O 3.49Å; V643-I667 HydrophobicContact CG1-CG1 4.39Å; V643-I667 HydrophobicContact CG2-CG1 4.23Å; V643-I667 HydrophobicContact CG2-CG2 4.18Å
644	T	97.8	Very high	93.4	Very high	42 Å²	42	38.7 Å²	38.7	26%	0.258	20%	0.203	S	C	.	.			trans	-115.2	162.7	175.3	60.1	0	0	0	0	110.9	Y516 T665 S666	Y516-T644 PolarHBondContact OH-O 3.17Å; T644-T665 WeakPolarHBondContact O-CB 3.4Å; T644-T665 VanDerWaalsContact OG1-CA 3.3Å; T644-T665 WeakPolarHBondContact OG1-CA 3.48Å; T644-T665 WeakPolarHBondContact OG1-CB 3.38Å; T644-S666 PolarHBondContact N-O 2.96Å; T644-S666 PolarHBondContact OG1-N 2.73Å; T644-S666 PolarHBondContact OG1-O 2.85Å
645	F	96.7	Very high	92.3	Very high	19 Å²	19	42.1 Å²	42.1	8%	0.083	22%	0.224	C	C	.	.			trans	-117.7	148.7	-169.7	-58.2	-88.4	0	0	0	113.5	F489 F596 L611 M626 A630 T665	F489-F645 HydrophobicContact CD1-CD1 4.49Å; F489-F645 HydrophobicContact CD1-CE1 4.14Å; F489-F645 HydrophobicContact CD2-CE1 4.27Å; F489-F645 AromaticContact CE1-CD1 3.7Å; F489-F645 HydrophobicContact CE1-CD1 3.7Å; F489-F645 AromaticContact CE1-CE1 3.77Å; F489-F645 HydrophobicContact CE1-CE1 3.77Å; F489-F645 HydrophobicContact CE2-CD1 4.09Å; F489-F645 AromaticContact CE2-CE1 3.91Å; F489-F645 HydrophobicContact CE2-CE1 3.91Å; F489-F645 HydrophobicContact CG-CE1 4.4Å; F489-F645 AromaticContact CZ-CD1 3.46Å; F489-F645 HydrophobicContact CZ-CD1 3.46Å; F489-F645 VanDerWaalsContact CZ-CD1 3.46Å; F489-F645 AromaticContact CZ-CE1 3.65Å; F489-F645 HydrophobicContact CZ-CE1 3.65Å; F596-F645 HydrophobicContact CZ-CZ 4.37Å; L611-F645 HydrophobicContact CD1-CD2 4.22Å; L611-F645 HydrophobicContact CD1-CE2 4.06Å; L611-F645 HydrophobicContact CD1-CZ 4.2Å; L611-F645 HydrophobicContact CD2-CD2 3.37Å; L611-F645 HydrophobicContact CD2-CE2 3.6Å; L611-F645 HydrophobicContact CD2-CG 4.16Å; L611-F645 HydrophobicContact CG-CD2 4.33Å; L611-F645 HydrophobicContact CG-CE2 4.18Å; M626-F645 HydrophobicContact CB-CB 3.82Å; M626-F645 HydrophobicContact CG-CB 4.48Å; A630-F645 HydrophobicContact CB-CE2 4.23Å; A630-F645 HydrophobicContact CB-CZ 3.92Å; F645-T665 WeakPolarHBondContact O-CG2 3.47Å
646	P	96.5	Very high	91.4	Very high	6 Å²	6	43.5 Å²	43.5	4%	0.039	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-75.5	160.3	-178.6	31	-34	0	0	0	111.4	F520 M626 L661 T665 F680	F520-P646 HydrophobicContact CD1-CG 4.23Å; F520-P646 HydrophobicContact CE1-CG 3.6Å; F520-P646 HydrophobicContact CZ-CG 4.12Å; M626-P646 VanDerWaalsContact CG-O 3.24Å; M626-P646 WeakPolarHBondContact CG-O 3.09Å; P646-L661 HydrophobicContact CG-CD1 4.27Å; P646-L661 HydrophobicContact CG-CD2 4.33Å; P646-T665 HydrophobicContact CB-CG2 3.97Å; P646-F680 HydrophobicContact CB-CB 4.35Å; P646-F680 HydrophobicContact CB-CD2 3.64Å; P646-F680 HydrophobicContact CB-CE2 3.99Å; P646-F680 HydrophobicContact CB-CG 3.92Å; P646-F680 HydrophobicContact CG-CD2 4.1Å; P646-F680 HydrophobicContact CG-CE1 4.41Å; P646-F680 HydrophobicContact CG-CE2 3.97Å; P646-F680 HydrophobicContact CG-CG 4.38Å; P646-F680 HydrophobicContact CG-CZ 4.14Å
647	C	94.4	Very high	90.7	Very high	30 Å²	30	40 Å²	40	20%	0.203	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	142	168.9	-60.7	0	0	0	0	110.2	V624 Y649 L661 G662	V624-C647 CarbonylContact O-C 3.53Å; V624-C647 VanDerWaalsContact O-CA 3.29Å; V624-C647 WeakPolarHBondContact O-CA 3.35Å; C647-Y649 HydrophobicContact CB-CE2 3.84Å; C647-L661 WeakPolarHBondContact O-CA 3.35Å; C647-G662 WeakPolarHBondContact CB-O 3.46Å; C647-G662 PolarHBondContact N-O 3.29Å; C647-G662 PolarHBondContact O-N 2.93Å
648	G	92.9	Very high	90.1	Very high	11 Å²	11	38.7 Å²	38.7	11%	0.113	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	143.5	167.5	0	0	0	0	0	111.1	V624 E660	V624-G648 PolarHBondContact N-O 3.36Å; V624-G648 PolarHBondContact O-N 2.97Å; G648-E660 CarbonylContact C-O 3.47Å; G648-E660 WeakPolarHBondContact CA-O 3.43Å
649	Y	91.8	Very high	89.7	Confident	52 Å²	52	36.1 Å²	36.1	20%	0.204	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	114.2	174.1	-60.9	-94.7	0	0	0	109.7	L618 I622 A623 C647 R651 I659 E660 T682	L618-Y649 HydrophobicContact CD1-CD1 4.4Å; L618-Y649 HydrophobicContact CD1-CE1 4.41Å; I622-Y649 CarbonylContact O-C 3.56Å; I622-Y649 VanDerWaalsContact O-CA 3.24Å; I622-Y649 WeakPolarHBondContact O-CA 3.13Å; A623-Y649 HydrophobicContact CB-CD1 3.79Å; A623-Y649 HydrophobicContact CB-CE1 3.66Å; C647-Y649 HydrophobicContact CB-CE2 3.84Å; Y649-R651 PolarHBondContact O-N 3.28Å; Y649-I659 CarbonylContact O-C 3.52Å; Y649-I659 WeakPolarHBondContact O-CA 3.46Å; Y649-E660 PolarHBondContact N-O 3Å; Y649-E660 PolarHBondContact O-N 3.39Å; Y649-T682 HydrophobicContact CD2-CG2 4.03Å; Y649-T682 HydrophobicContact CE2-CG2 4Å
650	G	89.7	Confident	89.4	Confident	10 Å²	10	35.7 Å²	35.7	10%	0.103	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	103.4	167.2	0	0	0	0	0	109.7	S621 I622 I653	S621-G650 CarbonylContact C-O 3.51Å; S621-G650 WeakPolarHBondContact CA-O 3.49Å; S621-G650 WeakPolarHBondContact CB-O 3.47Å; I622-G650 PolarHBondContact N-O 3.38Å; I622-G650 PolarHBondContact O-N 3.18Å; G650-I653 WeakPolarHBondContact O-CG2 3.2Å
651	R	86.5	Confident	89.2	Confident	42 Å²	42	31 Å²	31	16%	0.158	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	162.7	179	-59.3	-61.5	-166.5	167	4.7	110.5	Y649 I653 P657 W658 E660	Y649-R651 PolarHBondContact O-N 3.28Å; R651-I653 VanDerWaalsContact C-N 3.28Å; R651-I653 PolarHBondContact O-N 2.9Å; R651-P657 WeakPolarHBondContact O-CA 3.31Å; R651-W658 HydrophobicContact CB-CD2 3.71Å; R651-W658 HydrophobicContact CB-CE3 4.27Å; R651-W658 HydrophobicContact CB-CG 4.17Å; R651-W658 HydrophobicContact CB-CH2 4.23Å; R651-W658 HydrophobicContact CB-CZ2 3.63Å; R651-W658 HydrophobicContact CG-CD2 4.09Å; R651-W658 HydrophobicContact CG-CE3 4.16Å; R651-W658 HydrophobicContact CG-CH2 3.72Å; R651-W658 HydrophobicContact CG-CZ2 3.59Å; R651-W658 HydrophobicContact CG-CZ3 4.02Å; R651-W658 PolarHBondContact N-O 3.44Å; R651-W658 PolarHBondContact O-N 2.81Å; R651-W658 VanDerWaalsContact O-N 3.11Å; R651-E660 HydrophobicContact CG-CB 4.28Å; R651-E660 IonicContact CZ-OE2 3.49Å; R651-E660 VanDerWaalsContact CZ-OE2 3.28Å; R651-E660 IonicContact NE-OE2 3.08Å; R651-E660 PolarHBondContact NE-OE2 2.75Å; R651-E660 IonicContact NH2-OE2 3.13Å; R651-E660 PolarHBondContact NH2-OE2 2.98Å
652	N	80.9	Confident	89	Confident	29 Å²	29	31 Å²	31	16%	0.155	17%	0.171	C	C	.	.			trans	54.7	38.2	172.1	-69.8	10.1	0	0	0	114.5	D136 L654 T655 V656 W658	D136-N652 PolarHBondContact OD2-ND2 3.34Å; N652-L654 PolarHBondContact O-N 3.41Å; N652-L654 VanDerWaalsContact O-N 3.08Å; N652-T655 CarbonylContact O-C 3.53Å; N652-T655 PolarHBondContact O-N 2.98Å; N652-T655 PolarHBondContact O-OG1 3.1Å; N652-V656 WeakPolarHBondContact CB-O 3.4Å; N652-V656 CarbonylContact O-C 3.52Å; N652-W658 PolarHBondContact ND2-NE1 2.82Å
653	I	78.7	Confident	88.8	Confident	15 Å²	15	30 Å²	30	8%	0.077	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-17.1	-175.1	64.6	-176.7	0	0	0	114.9	I454 L458 F617 L620 I622 G650 R651	I454-I653 WeakPolarHBondContact CG2-O 3.49Å; L458-I653 HydrophobicContact CD1-CB 4.29Å; L458-I653 HydrophobicContact CD1-CD1 3.54Å; L458-I653 HydrophobicContact CD1-CG1 3.61Å; L458-I653 HydrophobicContact CD2-CD1 4.01Å; L458-I653 HydrophobicContact CG-CD1 4.43Å; F617-I653 HydrophobicContact CD2-CD1 4.26Å; F617-I653 HydrophobicContact CE2-CD1 3.62Å; L620-I653 WeakPolarHBondContact O-CG1 3.45Å; I622-I653 HydrophobicContact CD1-CG2 4.17Å; I622-I653 HydrophobicContact CG1-CD1 4.3Å; I622-I653 HydrophobicContact CG1-CG2 4.22Å; G650-I653 WeakPolarHBondContact O-CG2 3.2Å; R651-I653 VanDerWaalsContact C-N 3.28Å; R651-I653 PolarHBondContact O-N 2.9Å
654	L	73.1	Confident	88.8	Confident	72 Å²	72	38.1 Å²	38.1	38%	0.377	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-8.7	174.5	-67.8	178.3	0	0	0	113.5	L458 L620 N652	L458-L654 HydrophobicContact CD1-CD2 3.53Å; L458-L654 HydrophobicContact CD1-CG 4.21Å; L620-L654 HydrophobicContact CD2-CD1 3.47Å; L620-L654 VanDerWaalsContact CD2-CD1 3.47Å; L620-L654 HydrophobicContact CD2-CG 4.26Å; N652-L654 PolarHBondContact O-N 3.41Å; N652-L654 VanDerWaalsContact O-N 3.08Å
655	T	75.2	Confident	88.8	Confident	72 Å²	72	36.4 Å²	36.4	44%	0.442	20%	0.196	S	C	.	.	S	Bend	trans	-128	-118.5	-178.7	61.6	0	0	0	0	109.7	V447 N652 P657	V447-T655 WeakPolarHBondContact CG1-O 3.45Å; N652-T655 CarbonylContact O-C 3.53Å; N652-T655 PolarHBondContact O-N 2.98Å; N652-T655 PolarHBondContact O-OG1 3.1Å; T655-P657 VanDerWaalsContact O-CD 3.29Å; T655-P657 WeakPolarHBondContact O-CD 3.49Å
656	V	79	Confident	88.9	Confident	62 Å²	62	36.9 Å²	36.9	38%	0.376	20%	0.202	S	C	.	.	S	Bend	trans	-98.7	102.3	175.4	-177.3	0	0	0	0	107.3	V528 N652	V528-V656 HydrophobicContact CG2-CG1 3.79Å; N652-V656 WeakPolarHBondContact CB-O 3.4Å; N652-V656 CarbonylContact O-C 3.52Å
657	P	83.2	Confident	89	Confident	19 Å²	19	36.6 Å²	36.6	12%	0.123	20%	0.2	C	C	.	.			trans	-71	147.9	-174.2	30.3	-36.9	0	0	0	111.1	V528 A529 R651 T655	V528-P657 CarbonylContact C-O 3.57Å; V528-P657 WeakPolarHBondContact CA-O 3.26Å; V528-P657 HydrophobicContact CG1-CG 3.89Å; A529-P657 HydrophobicContact CB-CB 4.1Å; A529-P657 HydrophobicContact CB-CG 4.49Å; A529-P657 PolarHBondContact N-O 3.41Å; R651-P657 WeakPolarHBondContact O-CA 3.31Å; T655-P657 VanDerWaalsContact O-CD 3.29Å; T655-P657 WeakPolarHBondContact O-CD 3.49Å
658	W	85.2	Confident	89.2	Confident	31 Å²	31	37.2 Å²	37.2	12%	0.117	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	156.2	177.4	61.2	-91.1	0	0	0	111.2	R651 N652 E660	R651-W658 HydrophobicContact CB-CD2 3.71Å; R651-W658 HydrophobicContact CB-CE3 4.27Å; R651-W658 HydrophobicContact CB-CG 4.17Å; R651-W658 HydrophobicContact CB-CH2 4.23Å; R651-W658 HydrophobicContact CB-CZ2 3.63Å; R651-W658 HydrophobicContact CG-CD2 4.09Å; R651-W658 HydrophobicContact CG-CE3 4.16Å; R651-W658 HydrophobicContact CG-CH2 3.72Å; R651-W658 HydrophobicContact CG-CZ2 3.59Å; R651-W658 HydrophobicContact CG-CZ3 4.02Å; R651-W658 PolarHBondContact N-O 3.44Å; R651-W658 PolarHBondContact O-N 2.81Å; R651-W658 VanDerWaalsContact O-N 3.11Å; N652-W658 PolarHBondContact ND2-NE1 2.82Å; W658-E660 HydrophobicContact CE3-CB 4.18Å; W658-E660 HydrophobicContact CH2-CB 4.03Å; W658-E660 HydrophobicContact CH2-CG 4.15Å; W658-E660 HydrophobicContact CZ3-CB 3.42Å; W658-E660 VanDerWaalsContact CZ3-CB 3.42Å; W658-E660 HydrophobicContact CZ3-CG 3.79Å
659	I	89.5	Confident	89.5	Confident	63 Å²	63	36.7 Å²	36.7	32%	0.323	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	131.6	-178.8	-62.6	-57.6	0	0	0	111.6	A529 Y649 L661	A529-I659 HydrophobicContact CB-CD1 3.67Å; A529-I659 HydrophobicContact CB-CG1 3.65Å; Y649-I659 CarbonylContact O-C 3.52Å; Y649-I659 WeakPolarHBondContact O-CA 3.46Å; I659-L661 HydrophobicContact CG2-CD2 4.47Å
660	E	91.5	Very high	89.8	Confident	2 Å²	2	41.7 Å²	41.7	1%	0.009	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	142.1	167.5	-160.6	169.5	-143	0	0	110.6	G648 Y649 R651 W658 T682 K683	G648-E660 CarbonylContact C-O 3.47Å; G648-E660 WeakPolarHBondContact CA-O 3.43Å; Y649-E660 PolarHBondContact N-O 3Å; Y649-E660 PolarHBondContact O-N 3.39Å; R651-E660 HydrophobicContact CG-CB 4.28Å; R651-E660 IonicContact CZ-OE2 3.49Å; R651-E660 VanDerWaalsContact CZ-OE2 3.28Å; R651-E660 IonicContact NE-OE2 3.08Å; R651-E660 PolarHBondContact NE-OE2 2.75Å; R651-E660 IonicContact NH2-OE2 3.13Å; R651-E660 PolarHBondContact NH2-OE2 2.98Å; W658-E660 HydrophobicContact CE3-CB 4.18Å; W658-E660 HydrophobicContact CH2-CB 4.03Å; W658-E660 HydrophobicContact CH2-CG 4.15Å; W658-E660 HydrophobicContact CZ3-CB 3.42Å; W658-E660 VanDerWaalsContact CZ3-CB 3.42Å; W658-E660 HydrophobicContact CZ3-CG 3.79Å; E660-T682 HydrophobicContact CG-CG2 4.26Å; E660-T682 WeakPolarHBondContact OE1-CA 3.11Å; E660-T682 WeakPolarHBondContact OE2-CB 3.25Å; E660-K683 WeakPolarHBondContact OE1-CB 3.43Å; E660-K683 PolarHBondContact OE1-N 3.06Å
661	L	94.3	Very high	90.2	Very high	20 Å²	20	46.9 Å²	46.9	11%	0.105	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	139.6	170.4	-62	-178.2	0	0	0	110.6	F520 P646 C647 I659 F680 W713	F520-L661 HydrophobicContact CB-CD1 3.86Å; F520-L661 HydrophobicContact CD1-CD1 3.64Å; F520-L661 HydrophobicContact CE1-CD1 4.49Å; F520-L661 HydrophobicContact CG-CD1 3.93Å; P646-L661 HydrophobicContact CG-CD1 4.27Å; P646-L661 HydrophobicContact CG-CD2 4.33Å; C647-L661 WeakPolarHBondContact O-CA 3.35Å; I659-L661 HydrophobicContact CG2-CD2 4.47Å; L661-F680 HydrophobicContact CB-CB 4.33Å; L661-F680 HydrophobicContact CB-CD1 3.81Å; L661-F680 HydrophobicContact CB-CG 4.33Å; L661-F680 HydrophobicContact CD1-CD1 4.11Å; L661-F680 HydrophobicContact CD1-CE1 4.01Å; L661-W713 HydrophobicContact CB-CZ2 4.21Å; L661-W713 HydrophobicContact CD1-CD2 4.14Å; L661-W713 HydrophobicContact CD1-CE3 4.39Å; L661-W713 HydrophobicContact CD1-CH2 4.12Å; L661-W713 HydrophobicContact CD1-CZ2 3.98Å; L661-W713 HydrophobicContact CD1-CZ3 4.37Å; L661-W713 HydrophobicContact CG-CH2 4.18Å; L661-W713 HydrophobicContact CG-CZ2 3.82Å
662	G	94.8	Very high	90.8	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	161.6	178.7	0	0	0	0	0	113.6	C647 F680	C647-G662 WeakPolarHBondContact CB-O 3.46Å; C647-G662 PolarHBondContact N-O 3.29Å; C647-G662 PolarHBondContact O-N 2.93Å; G662-F680 CarbonylContact C-O 3.49Å; G662-F680 WeakPolarHBondContact CA-O 3.43Å
663	G	95.3	Very high	91.6	Very high	31 Å²	31	46.3 Å²	46.3	32%	0.32	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	102.3	-179.3	176.5	0	0	0	0	0	113.4	F680	G663-F680 PolarHBondContact N-O 3.19Å; G663-F680 PolarHBondContact O-N 2.96Å
664	K	97.9	Very high	92.6	Very high	173 Å²	173	47.3 Å²	47.3	75%	0.752	26%	0.259	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.5	139.1	-176.4	-64.6	-179.6	-178.8	178.7	0	110	I678	K664-I678 CarbonylContact C-O 3.59Å; K664-I678 WeakPolarHBondContact CA-O 3.4Å
665	T	98.5	Very high	93.8	Very high	6 Å²	6	46.4 Å²	46.4	4%	0.037	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	166.1	174.3	60	0	0	0	0	109.5	Y516 T644 F645 P646 I678 F680	Y516-T665 WeakPolarHBondContact OH-CB 3.29Å; Y516-T665 PolarHBondContact OH-OG1 2.89Å; T644-T665 WeakPolarHBondContact O-CB 3.4Å; T644-T665 VanDerWaalsContact OG1-CA 3.3Å; T644-T665 WeakPolarHBondContact OG1-CA 3.48Å; T644-T665 WeakPolarHBondContact OG1-CB 3.38Å; F645-T665 WeakPolarHBondContact O-CG2 3.47Å; P646-T665 HydrophobicContact CB-CG2 3.97Å; T665-I678 PolarHBondContact N-O 2.83Å; T665-I678 PolarHBondContact O-N 2.86Å; T665-I678 WeakPolarHBondContact OG1-CB 3.3Å; T665-I678 PolarHBondContact OG1-O 3.23Å; T665-F680 HydrophobicContact CG2-CD2 4.47Å; T665-F680 HydrophobicContact CG2-CE2 4.39Å
666	S	98.7	Very high	94.9	Very high	29 Å²	29	43 Å²	43	20%	0.203	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	158.2	177.2	65.6	0	0	0	0	112.7	V643 T644 A676	V643-S666 WeakPolarHBondContact CA-O 3.49Å; T644-S666 PolarHBondContact N-O 2.96Å; T644-S666 PolarHBondContact OG1-N 2.73Å; T644-S666 PolarHBondContact OG1-O 2.85Å; S666-A676 CarbonylContact C-O 3.5Å; S666-A676 WeakPolarHBondContact CA-O 3.3Å
667	I	98.8	Very high	95.9	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	118.7	163.3	-54.4	172.6	0	0	0	106.2	M509 L513 Y516 Y641 V642 V643 L675 A676 I678	M509-I667 HydrophobicContact CE-CG2 4.18Å; M509-I667 HydrophobicContact SD-CB 4.39Å; M509-I667 HydrophobicContact SD-CG2 3.95Å; L513-I667 HydrophobicContact CB-CD1 4.35Å; L513-I667 HydrophobicContact CD1-CD1 4.05Å; Y516-I667 HydrophobicContact CD1-CD1 4.03Å; Y516-I667 HydrophobicContact CG-CD1 3.86Å; Y516-I667 HydrophobicContact CG-CG1 4.47Å; Y641-I667 HydrophobicContact CD1-CG2 3.98Å; V642-I667 CarbonylContact O-C 3.45Å; V642-I667 WeakPolarHBondContact O-CA 3.33Å; V643-I667 HydrophobicContact CG1-CG1 4.39Å; V643-I667 HydrophobicContact CG2-CG1 4.23Å; V643-I667 HydrophobicContact CG2-CG2 4.18Å; I667-L675 CarbonylContact O-C 3.58Å; I667-L675 WeakPolarHBondContact O-CA 3.49Å; I667-A676 HydrophobicContact CB-CB 4.15Å; I667-A676 PolarHBondContact N-O 3.06Å; I667-A676 PolarHBondContact O-N 3.2Å; I667-I678 HydrophobicContact CD1-CD1 4.31Å; I667-I678 HydrophobicContact CG1-CD1 4.04Å
668	T	98.8	Very high	96.6	Very high	43 Å²	43	42.3 Å²	42.3	26%	0.264	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	132.5	-175	-52.8	0	0	0	0	110.8	Y641 V642 L675	Y641-T668 CarbonylContact C-O 3.57Å; Y641-T668 WeakPolarHBondContact CA-O 3.42Å; V642-T668 PolarHBondContact N-O 3.32Å; V642-T668 PolarHBondContact O-N 3.28Å; T668-L675 HydrophobicContact CG2-CD1 4.46Å; T668-L675 WeakPolarHBondContact OG1-CD1 3.48Å
669	C	98.8	Very high	97.2	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	108.4	169.4	-179.9	0	0	0	0	109.8	M509 E640 Y641 K671 T672 G673 Y674	M509-C669 HydrophobicContact CE-CB 4.49Å; E640-C669 VanDerWaalsContact O-CA 3.32Å; E640-C669 WeakPolarHBondContact O-CA 3.31Å; E640-C669 WeakPolarHBondContact O-CB 3.39Å; E640-C669 PolarHBondContact O-SG 2.78Å; Y641-C669 HydrophobicContact CD1-CB 3.79Å; Y641-C669 HydrophobicContact CE1-CB 3.76Å; Y641-C669 HydrophobicContact CE2-CB 4.49Å; Y641-C669 HydrophobicContact CG-CB 4.19Å; C669-K671 PolarHBondContact O-N 3.42Å; C669-T672 WeakPolarHBondContact CB-OG1 3.49Å; C669-T672 PolarHBondContact O-N 3.3Å; C669-T672 PolarHBondContact SG-OG1 3.11Å; C669-G673 WeakPolarHBondContact O-CA 3.38Å; C669-G673 PolarHBondContact O-N 3.28Å; C669-Y674 PolarHBondContact N-O 3.24Å; C669-Y674 PolarHBondContact O-N 3.23Å
670	L	97.4	Very high	97.6	Very high	157 Å²	157	41.3 Å²	41.3	82%	0.822	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-43.4	-176.7	-76.4	167.4	0	0	0	112.3	T672 G673	L670-T672 VanDerWaalsContact C-N 3.33Å; L670-T672 PolarHBondContact O-N 3.21Å; L670-G673 PolarHBondContact O-N 2.72Å
671	K	98.3	Very high	97.8	Very high	119 Å²	119	46.2 Å²	46.2	52%	0.517	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-42.1	-178.5	179.2	176.4	178.5	174.6	0	113	H637 D638 E639 C669	H637-K671 PolarHBondContact O-NZ 3.41Å; D638-K671 VanDerWaalsContact CG-NZ 3.33Å; D638-K671 WeakPolarHBondContact O-CD 3.46Å; D638-K671 WeakPolarHBondContact O-CE 3.33Å; D638-K671 PolarHBondContact O-NZ 3.23Å; D638-K671 IonicContact OD2-NZ 2.72Å; D638-K671 PolarHBondContact OD2-NZ 2.84Å; E639-K671 HydrophobicContact CG-CD 4.11Å; C669-K671 PolarHBondContact O-N 3.42Å
672	T	98.4	Very high	97.6	Very high	23 Å²	23	47.7 Å²	47.7	14%	0.141	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-15.3	-175.9	64.8	0	0	0	0	112.7	P505 E639 C669 L670 Y674	P505-T672 HydrophobicContact CB-CG2 3.81Å; P505-T672 HydrophobicContact CG-CG2 4.2Å; E639-T672 VanDerWaalsContact CD-CG2 3.5Å; E639-T672 HydrophobicContact CG-CG2 3.92Å; E639-T672 WeakPolarHBondContact OE1-CG2 3.39Å; C669-T672 WeakPolarHBondContact CB-OG1 3.49Å; C669-T672 PolarHBondContact O-N 3.3Å; C669-T672 PolarHBondContact SG-OG1 3.11Å; L670-T672 VanDerWaalsContact C-N 3.33Å; L670-T672 PolarHBondContact O-N 3.21Å; T672-Y674 PolarHBondContact O-N 3.37Å; T672-Y674 WeakPolarHBondContact OG1-CD2 3.15Å
673	G	98.4	Very high	97	Very high	36 Å²	36	50 Å²	50	37%	0.371	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.9	10.3	-176.5	0	0	0	0	0	114.5	C669 L670 P700	C669-G673 WeakPolarHBondContact O-CA 3.38Å; C669-G673 PolarHBondContact O-N 3.28Å; L670-G673 PolarHBondContact O-N 2.72Å; G673-P700 WeakPolarHBondContact O-CA 3.45Å
674	Y	98.8	Very high	96.1	Very high	36 Å²	36	50.7 Å²	50.7	14%	0.141	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	142.8	177.4	-80.2	-100.1	0	0	0	111.6	P505 R506 M509 C669 T672 F698 F706	P505-Y674 HydrophobicContact CB-CD2 4.24Å; P505-Y674 HydrophobicContact CB-CE2 3.86Å; R506-Y674 HydrophobicContact CB-CE1 3.97Å; R506-Y674 WeakPolarHBondContact CB-OH 3.44Å; R506-Y674 HydrophobicContact CG-CE1 4.07Å; M509-Y674 HydrophobicContact CB-CD1 4.12Å; M509-Y674 HydrophobicContact CB-CG 4.32Å; M509-Y674 VanDerWaalsContact CE-CB 3.44Å; M509-Y674 WeakPolarHBondContact CE-O 3.38Å; M509-Y674 HydrophobicContact CG-CD1 4.13Å; M509-Y674 HydrophobicContact CG-CG 4.43Å; C669-Y674 PolarHBondContact N-O 3.24Å; C669-Y674 PolarHBondContact O-N 3.23Å; T672-Y674 PolarHBondContact O-N 3.37Å; T672-Y674 WeakPolarHBondContact OG1-CD2 3.15Å; Y674-F698 WeakPolarHBondContact CD1-O 3.22Å; Y674-F706 AromaticContact CD1-CE1 3.74Å; Y674-F706 HydrophobicContact CD1-CE1 3.74Å; Y674-F706 HydrophobicContact CD1-CZ 4.01Å; Y674-F706 AromaticContact CE1-CE1 3.52Å; Y674-F706 HydrophobicContact CE1-CE1 3.52Å; Y674-F706 AromaticContact CE1-CZ 3.78Å; Y674-F706 HydrophobicContact CE1-CZ 3.78Å
675	L	98.8	Very high	94.6	Very high	52 Å²	52	44.3 Å²	44.3	27%	0.272	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	132.6	178.8	171.2	65.1	0	0	0	109.9	I667 T668 V697 F698	I667-L675 CarbonylContact O-C 3.58Å; I667-L675 WeakPolarHBondContact O-CA 3.49Å; T668-L675 HydrophobicContact CG2-CD1 4.46Å; T668-L675 WeakPolarHBondContact OG1-CD1 3.48Å; L675-V697 CarbonylContact O-C 3.56Å; L675-V697 WeakPolarHBondContact O-CA 3.34Å; L675-F698 PolarHBondContact N-O 2.92Å; L675-F698 VanDerWaalsContact N-O 3.17Å; L675-F698 PolarHBondContact O-N 3.42Å
676	A	98.9	Very high	93.2	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	123.2	162.3	0	0	0	0	0	109.3	M509 L513 S666 I667 I678 E696 V697	M509-A676 HydrophobicContact SD-CB 4.28Å; L513-A676 HydrophobicContact CD1-CB 4.4Å; S666-A676 CarbonylContact C-O 3.5Å; S666-A676 WeakPolarHBondContact CA-O 3.3Å; I667-A676 HydrophobicContact CB-CB 4.15Å; I667-A676 PolarHBondContact N-O 3.06Å; I667-A676 PolarHBondContact O-N 3.2Å; A676-I678 HydrophobicContact CB-CD1 4.06Å; A676-I678 WeakPolarHBondContact O-CD1 3.36Å; A676-E696 CarbonylContact C-O 3.4Å; A676-E696 VanDerWaalsContact CA-O 3.3Å; A676-E696 WeakPolarHBondContact CA-O 3.44Å; A676-V697 HydrophobicContact CB-CG1 4.28Å; A676-V697 HydrophobicContact CB-CG2 4.08Å
677	N	98.9	Very high	91.8	Very high	65 Å²	65	52.1 Å²	52.1	35%	0.348	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	125.9	170.3	-71.5	-40.4	0	0	0	108.7	A695 E696	N677-A695 CarbonylContact O-C 3.39Å; N677-A695 VanDerWaalsContact O-CA 3.24Å; N677-A695 WeakPolarHBondContact O-CA 3.26Å; N677-E696 PolarHBondContact N-O 3.34Å; N677-E696 PolarHBondContact O-N 2.78Å
678	I	98.8	Very high	90.8	Very high	3 Å²	3	54.4 Å²	54.4	2%	0.015	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	120.3	-178.1	-51.7	93	0	0	0	109.2	L513 Y516 L517 K664 T665 I667 A676 F680 L693 A695	L513-I678 HydrophobicContact CD1-CD1 4.14Å; L513-I678 HydrophobicContact CD1-CG1 3.87Å; Y516-I678 HydrophobicContact CD1-CD1 4.47Å; Y516-I678 HydrophobicContact CE1-CD1 4.2Å; Y516-I678 HydrophobicContact CE1-CG1 4.38Å; L517-I678 HydrophobicContact CD2-CG2 4.09Å; K664-I678 CarbonylContact C-O 3.59Å; K664-I678 WeakPolarHBondContact CA-O 3.4Å; T665-I678 PolarHBondContact N-O 2.83Å; T665-I678 PolarHBondContact O-N 2.86Å; T665-I678 WeakPolarHBondContact OG1-CB 3.3Å; T665-I678 PolarHBondContact OG1-O 3.23Å; I667-I678 HydrophobicContact CD1-CD1 4.31Å; I667-I678 HydrophobicContact CG1-CD1 4.04Å; A676-I678 HydrophobicContact CB-CD1 4.06Å; A676-I678 WeakPolarHBondContact O-CD1 3.36Å; I678-F680 HydrophobicContact CB-CE2 4.42Å; I678-F680 HydrophobicContact CG2-CD2 4.01Å; I678-F680 HydrophobicContact CG2-CE2 3.57Å; I678-F680 HydrophobicContact CG2-CZ 4.17Å; I678-L693 HydrophobicContact CG2-CD2 4.47Å; I678-A695 HydrophobicContact CB-CB 4.27Å; I678-A695 HydrophobicContact CG1-CB 3.66Å; I678-A695 HydrophobicContact CG2-CB 4.22Å
679	E	98.5	Very high	90.2	Very high	68 Å²	68	58.9 Å²	58.9	32%	0.318	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	110.6	175.6	-178.1	-177.4	-130.2	0	0	109.7	R681 L693 R694	E679-R681 HydrophobicContact CG-CG 4.06Å; E679-R681 IonicContact OE2-CZ 3.77Å; E679-R681 IonicContact OE2-NE 3.01Å; E679-R681 PolarHBondContact OE2-NE 2.97Å; E679-R681 IonicContact OE2-NH2 2.95Å; E679-R681 PolarHBondContact OE2-NH2 3.48Å; E679-L693 CarbonylContact O-C 3.55Å; E679-L693 WeakPolarHBondContact O-CA 3.43Å; E679-L693 WeakPolarHBondContact O-CB 3.45Å; E679-R694 PolarHBondContact N-O 3.49Å; E679-R694 PolarHBondContact O-N 3.23Å
680	F	97.8	Very high	89.7	Confident	4 Å²	4	63.4 Å²	63.4	2%	0.018	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	128.8	167.2	-68.6	-99.7	0	0	0	108.6	Y516 F520 P646 L661 G662 G663 T665 I678 L693 W713	Y516-F680 HydrophobicContact CE1-CE2 4.3Å; Y516-F680 HydrophobicContact CE1-CZ 4.36Å; F520-F680 HydrophobicContact CD2-CE1 4.04Å; F520-F680 AromaticContact CD2-CZ 3.8Å; F520-F680 HydrophobicContact CD2-CZ 3.8Å; F520-F680 HydrophobicContact CE1-CZ 4.36Å; F520-F680 HydrophobicContact CE2-CE1 4.25Å; F520-F680 HydrophobicContact CE2-CE2 4.48Å; F520-F680 AromaticContact CE2-CZ 3.55Å; F520-F680 HydrophobicContact CE2-CZ 3.55Å; F520-F680 HydrophobicContact CG-CE1 4.24Å; F520-F680 HydrophobicContact CG-CZ 4.32Å; F520-F680 AromaticContact CZ-CZ 3.86Å; F520-F680 HydrophobicContact CZ-CZ 3.86Å; P646-F680 HydrophobicContact CB-CB 4.35Å; P646-F680 HydrophobicContact CB-CD2 3.64Å; P646-F680 HydrophobicContact CB-CE2 3.99Å; P646-F680 HydrophobicContact CB-CG 3.92Å; P646-F680 HydrophobicContact CG-CD2 4.1Å; P646-F680 HydrophobicContact CG-CE1 4.41Å; P646-F680 HydrophobicContact CG-CE2 3.97Å; P646-F680 HydrophobicContact CG-CG 4.38Å; P646-F680 HydrophobicContact CG-CZ 4.14Å; L661-F680 HydrophobicContact CB-CB 4.33Å; L661-F680 HydrophobicContact CB-CD1 3.81Å; L661-F680 HydrophobicContact CB-CG 4.33Å; L661-F680 HydrophobicContact CD1-CD1 4.11Å; L661-F680 HydrophobicContact CD1-CE1 4.01Å; G662-F680 CarbonylContact C-O 3.49Å; G662-F680 WeakPolarHBondContact CA-O 3.43Å; G663-F680 PolarHBondContact N-O 3.19Å; G663-F680 PolarHBondContact O-N 2.96Å; T665-F680 HydrophobicContact CG2-CD2 4.47Å; T665-F680 HydrophobicContact CG2-CE2 4.39Å; I678-F680 HydrophobicContact CB-CE2 4.42Å; I678-F680 HydrophobicContact CG2-CD2 4.01Å; I678-F680 HydrophobicContact CG2-CE2 3.57Å; I678-F680 HydrophobicContact CG2-CZ 4.17Å; F680-L693 HydrophobicContact CD1-CB 4.23Å; F680-L693 HydrophobicContact CD1-CD2 4.01Å; F680-L693 HydrophobicContact CE1-CD2 3.56Å; F680-L693 HydrophobicContact CG-CB 4.46Å; F680-L693 HydrophobicContact CZ-CD2 3.92Å; F680-W713 AromaticContact CD1-CD1 3.84Å; F680-W713 HydrophobicContact CD1-CG 4.46Å; F680-W713 HydrophobicContact CE1-CB 4.4Å; F680-W713 HydrophobicContact CE1-CG 4.31Å
681	R	94.4	Very high	89.4	Confident	106 Å²	106	56.3 Å²	56.3	40%	0.4	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	121.9	-171.8	-64.6	175	176.2	-176.8	-4.5	110.5	E679 T692	E679-R681 HydrophobicContact CG-CG 4.06Å; E679-R681 IonicContact OE2-CZ 3.77Å; E679-R681 IonicContact OE2-NE 3.01Å; E679-R681 PolarHBondContact OE2-NE 2.97Å; E679-R681 IonicContact OE2-NH2 2.95Å; E679-R681 PolarHBondContact OE2-NH2 3.48Å; R681-T692 WeakPolarHBondContact CB-OG1 3.48Å; R681-T692 PolarHBondContact N-O 3.07Å
682	T	90.2	Very high	89.4	Confident	51 Å²	51	52 Å²	52	31%	0.313	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-70.5	145.2	167.2	57	0	0	0	0	110.2	Y649 E660 P684	Y649-T682 HydrophobicContact CD2-CG2 4.03Å; Y649-T682 HydrophobicContact CE2-CG2 4Å; E660-T682 HydrophobicContact CG-CG2 4.26Å; E660-T682 WeakPolarHBondContact OE1-CA 3.11Å; E660-T682 WeakPolarHBondContact OE2-CB 3.25Å; T682-P684 WeakPolarHBondContact O-CD 3.36Å
683	K	82.6	Confident	89.3	Confident	49 Å²	49	51 Å²	51	21%	0.213	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-53.8	123.1	178.5	-170.3	-167.7	-176.3	-179.1	0	110	E660 R690	E660-K683 WeakPolarHBondContact OE1-CB 3.43Å; E660-K683 PolarHBondContact OE1-N 3.06Å; K683-R690 HydrophobicContact CB-CG 4.06Å; K683-R690 HydrophobicContact CD-CG 3.67Å; K683-R690 HydrophobicContact CG-CG 3.94Å
684	P	76.4	Confident	89.3	Confident	45 Å²	45	52.2 Å²	52.2	29%	0.292	26%	0.259	S	S	.	.	P	Polyproline II helix	trans	-68.5	149	173	-18.9	31.5	0	0	0	112.1	T682 Y686 G687	T682-P684 WeakPolarHBondContact O-CD 3.36Å; P684-Y686 VanDerWaalsContact C-N 3.31Å; P684-Y686 HydrophobicContact CB-CD1 4.43Å; P684-Y686 HydrophobicContact CB-CD2 4.23Å; P684-Y686 HydrophobicContact CB-CE1 4.07Å; P684-Y686 HydrophobicContact CB-CE2 3.84Å; P684-Y686 HydrophobicContact CG-CE2 4.47Å; P684-Y686 PolarHBondContact O-N 3.26Å; P684-G687 PolarHBondContact O-N 3.04Å
685	F	66.9	Low	89.4	Confident	38 Å²	38	50.5 Å²	50.5	17%	0.167	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-25.9	-179.4	75.4	-99.7	0	0	0	114.3	L131 K171 V175 G687	L131-F685 HydrophobicContact CD2-CB 3.68Å; L131-F685 HydrophobicContact CD2-CD2 3.83Å; L131-F685 HydrophobicContact CD2-CG 4.15Å; K171-F685 HydrophobicContact CB-CD2 4.4Å; K171-F685 HydrophobicContact CB-CE2 4.15Å; K171-F685 HydrophobicContact CD-CD2 4.47Å; K171-F685 HydrophobicContact CG-CD2 3.94Å; K171-F685 HydrophobicContact CG-CE2 4.15Å; V175-F685 HydrophobicContact CG2-CZ 4.05Å; F685-G687 PolarHBondContact O-N 3.16Å
686	Y	69.2	Low	89.4	Confident	160 Å²	160	50.3 Å²	50.3	63%	0.627	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.7	17.7	179.6	46.6	-98.2	0	0	0	113.4	P684	P684-Y686 VanDerWaalsContact C-N 3.31Å; P684-Y686 HydrophobicContact CB-CD1 4.43Å; P684-Y686 HydrophobicContact CB-CD2 4.23Å; P684-Y686 HydrophobicContact CB-CE1 4.07Å; P684-Y686 HydrophobicContact CB-CE2 3.84Å; P684-Y686 HydrophobicContact CG-CE2 4.47Å; P684-Y686 PolarHBondContact O-N 3.26Å
687	G	69.8	Low	89.4	Confident	39 Å²	39	50.3 Å²	50.3	40%	0.402	25%	0.25	S	C	.	.			trans	91.2	156	-173.4	0	0	0	0	0	111.8	P684 F685	P684-G687 PolarHBondContact O-N 3.04Å; F685-G687 PolarHBondContact O-N 3.16Å
688	G	77.2	Confident	89.3	Confident	48 Å²	48	48.5 Å²	48.5	50%	0.495	24%	0.239	S	C	.	.			trans	154.2	163.4	-173	0	0	0	0	0	110.5
689	K	85.9	Confident	89.3	Confident	137 Å²	137	48.5 Å²	48.5	60%	0.596	24%	0.24	S	C	*	.			trans	-71.7	147.6	172.1	-71.5	-179.3	160.1	-147.9	0	110.1	T692 E712	K689-T692 HydrophobicContact CB-CG2 3.5Å; K689-T692 VanDerWaalsContact CB-CG2 3.5Å; K689-E712 WeakPolarHBondContact CD-OE1 3.44Å; K689-E712 IonicContact NZ-OE1 2.62Å; K689-E712 PolarHBondContact NZ-OE1 3.45Å
690	R	87.9	Confident	89.2	Confident	96 Å²	96	48.2 Å²	48.2	36%	0.362	24%	0.244	S	C	.	.	S	Bend	trans	-84	166.7	171.3	-71.9	175.6	63.1	-177.4	-6	109.9	K683 T692	K683-R690 HydrophobicContact CB-CG 4.06Å; K683-R690 HydrophobicContact CD-CG 3.67Å; K683-R690 HydrophobicContact CG-CG 3.94Å; R690-T692 WeakPolarHBondContact O-CG2 3.39Å; R690-T692 PolarHBondContact O-N 2.73Å
691	D	92.4	Very high	89	Confident	8 Å²	8	55.9 Å²	55.9	4%	0.043	29%	0.285	C	S	.	.	S	Bend	trans	55.1	27.3	168.7	-60	-10.3	0	0	0	113.7	R524 E712 W713 N714	R524-D691 IonicContact CZ-OD2 3.71Å; R524-D691 IonicContact NH1-OD1 2.57Å; R524-D691 IonicContact NH1-OD2 2.78Å; R524-D691 PolarHBondContact NH1-OD2 3.32Å; R524-D691 IonicContact NH2-OD2 3.73Å; R524-D691 PolarHBondContact NH2-OD2 3.45Å; D691-E712 CarbonylContact O-C 3.54Å; D691-E712 WeakPolarHBondContact O-CA 3.38Å; D691-W713 VanDerWaalsContact C-CD1 3.46Å; D691-W713 VanDerWaalsContact CA-NE1 3.3Å; D691-W713 HydrophobicContact CB-CD2 4.23Å; D691-W713 HydrophobicContact CB-CZ2 3.9Å; D691-W713 PolarHBondContact O-N 2.95Å; D691-W713 PolarHBondContact O-NE1 3.49Å; D691-N714 VanDerWaalsContact CB-OD1 3.27Å; D691-N714 WeakPolarHBondContact CB-OD1 3.45Å; D691-N714 PolarHBondContact OD2-ND2 3.35Å
692	T	96.4	Very high	89.1	Confident	28 Å²	28	54.8 Å²	54.8	17%	0.172	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	149.4	-177.7	65.1	0	0	0	0	112	R681 K689 R690 G711 E712	R681-T692 WeakPolarHBondContact CB-OG1 3.48Å; R681-T692 PolarHBondContact N-O 3.07Å; K689-T692 HydrophobicContact CB-CG2 3.5Å; K689-T692 VanDerWaalsContact CB-CG2 3.5Å; R690-T692 WeakPolarHBondContact O-CG2 3.39Å; R690-T692 PolarHBondContact O-N 2.73Å; T692-G711 CarbonylContact C-O 3.52Å; T692-G711 WeakPolarHBondContact CA-O 3.45Å; T692-E712 HydrophobicContact CG2-CG 4.07Å
693	L	98	Very high	89.3	Confident	3 Å²	3	62.1 Å²	62.1	2%	0.016	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	165.7	168.5	67.3	73.5	0	0	0	112.5	L517 I678 E679 F680 E710 G711 W713 M717	L517-L693 HydrophobicContact CD1-CD1 4.44Å; L517-L693 HydrophobicContact CD2-CD1 4.2Å; L517-L693 HydrophobicContact CD2-CD2 3.65Å; I678-L693 HydrophobicContact CG2-CD2 4.47Å; E679-L693 CarbonylContact O-C 3.55Å; E679-L693 WeakPolarHBondContact O-CA 3.43Å; E679-L693 WeakPolarHBondContact O-CB 3.45Å; F680-L693 HydrophobicContact CD1-CB 4.23Å; F680-L693 HydrophobicContact CD1-CD2 4.01Å; F680-L693 HydrophobicContact CE1-CD2 3.56Å; F680-L693 HydrophobicContact CG-CB 4.46Å; F680-L693 HydrophobicContact CZ-CD2 3.92Å; L693-E710 WeakPolarHBondContact O-CA 3.43Å; L693-G711 PolarHBondContact N-O 3.17Å; L693-G711 PolarHBondContact O-N 2.93Å; L693-W713 HydrophobicContact CD2-CB 3.68Å; L693-W713 HydrophobicContact CD2-CG 4.46Å; L693-W713 HydrophobicContact CG-CB 4.42Å; L693-M717 HydrophobicContact CD1-SD 3.69Å; L693-M717 HydrophobicContact CD2-SD 3.83Å; L693-M717 HydrophobicContact CG-SD 3.89Å
694	R	98.5	Very high	90	Very high	60 Å²	60	68 Å²	68	23%	0.226	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	121.1	169.2	-174.1	168.2	177.3	-82.5	-5.4	110.5	E679 E696 I708 V709 E710	E679-R694 PolarHBondContact N-O 3.49Å; E679-R694 PolarHBondContact O-N 3.23Å; R694-E696 IonicContact CZ-OE1 3.19Å; R694-E696 VanDerWaalsContact NH1-CG 3.31Å; R694-E696 IonicContact NH1-OE1 2.6Å; R694-E696 PolarHBondContact NH1-OE1 3.3Å; R694-E696 IonicContact NH1-OE2 3.38Å; R694-E696 IonicContact NH2-OE1 2.82Å; R694-E696 PolarHBondContact NH2-OE1 2.88Å; R694-I708 HydrophobicContact CG-CG2 4.19Å; R694-V709 CarbonylContact C-O 3.57Å; R694-V709 WeakPolarHBondContact CA-O 3.24Å; R694-E710 HydrophobicContact CG-CB 4.46Å
695	A	98.9	Very high	91	Very high	0 Å²	0	67.1 Å²	67.1	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	141.3	171.8	0	0	0	0	0	111	L513 L517 N677 I678 I708 V709	L513-A695 HydrophobicContact CD1-CB 4.05Å; L513-A695 HydrophobicContact CD2-CB 4.13Å; L517-A695 HydrophobicContact CD1-CB 4.48Å; N677-A695 CarbonylContact O-C 3.39Å; N677-A695 VanDerWaalsContact O-CA 3.24Å; N677-A695 WeakPolarHBondContact O-CA 3.26Å; I678-A695 HydrophobicContact CB-CB 4.27Å; I678-A695 HydrophobicContact CG1-CB 3.66Å; I678-A695 HydrophobicContact CG2-CB 4.22Å; A695-I708 CarbonylContact O-C 3.56Å; A695-I708 VanDerWaalsContact O-CA 3.28Å; A695-I708 WeakPolarHBondContact O-CA 3.46Å; A695-V709 HydrophobicContact CB-CB 4.22Å; A695-V709 PolarHBondContact N-O 2.68Å; A695-V709 PolarHBondContact O-N 3.38Å
696	E	98.8	Very high	92.5	Very high	48 Å²	48	66.3 Å²	66.3	22%	0.224	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	124	175.4	-67.9	-169	141.5	0	0	109.4	A676 N677 R694 F698 P705 I708	A676-E696 CarbonylContact C-O 3.4Å; A676-E696 VanDerWaalsContact CA-O 3.3Å; A676-E696 WeakPolarHBondContact CA-O 3.44Å; N677-E696 PolarHBondContact N-O 3.34Å; N677-E696 PolarHBondContact O-N 2.78Å; R694-E696 IonicContact CZ-OE1 3.19Å; R694-E696 VanDerWaalsContact NH1-CG 3.31Å; R694-E696 IonicContact NH1-OE1 2.6Å; R694-E696 PolarHBondContact NH1-OE1 3.3Å; R694-E696 IonicContact NH1-OE2 3.38Å; R694-E696 IonicContact NH2-OE1 2.82Å; R694-E696 PolarHBondContact NH2-OE1 2.88Å; E696-F698 HydrophobicContact CB-CD2 4.48Å; E696-F698 HydrophobicContact CB-CE2 3.53Å; E696-F698 HydrophobicContact CB-CZ 3.86Å; E696-F698 WeakPolarHBondContact O-CE2 3.39Å; E696-P705 HydrophobicContact CB-CB 3.91Å; E696-P705 HydrophobicContact CB-CG 4.26Å; E696-P705 HydrophobicContact CG-CB 4.42Å; E696-P705 HydrophobicContact CG-CG 4.26Å; E696-I708 HydrophobicContact CG-CG1 4.36Å
697	V	98.9	Very high	93.9	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	129.2	-179.1	-161.3	0	0	0	0	110.6	M509 L513 L675 A676 P705 F706 L707	M509-V697 HydrophobicContact CG-CG1 3.61Å; L513-V697 HydrophobicContact CD2-CG2 3.49Å; L513-V697 VanDerWaalsContact CD2-CG2 3.49Å; L675-V697 CarbonylContact O-C 3.56Å; L675-V697 WeakPolarHBondContact O-CA 3.34Å; A676-V697 HydrophobicContact CB-CG1 4.28Å; A676-V697 HydrophobicContact CB-CG2 4.08Å; V697-P705 CarbonylContact O-C 3.58Å; V697-P705 WeakPolarHBondContact O-CA 3.45Å; V697-P705 WeakPolarHBondContact O-CB 3.31Å; V697-F706 HydrophobicContact CB-CE1 4.03Å; V697-F706 HydrophobicContact CB-CE2 4.26Å; V697-F706 HydrophobicContact CB-CZ 3.82Å; V697-F706 HydrophobicContact CG1-CE1 3.6Å; V697-F706 HydrophobicContact CG1-CE2 4.18Å; V697-F706 HydrophobicContact CG1-CZ 3.33Å; V697-F706 WeakPolarHBondContact O-CD1 3.31Å; V697-F706 PolarHBondContact O-N 2.77Å; V697-L707 HydrophobicContact CB-CB 4.12Å; V697-L707 HydrophobicContact CG2-CB 4.09Å; V697-L707 HydrophobicContact CG2-CD2 4.01Å; V697-L707 HydrophobicContact CG2-CG 4.17Å; V697-L707 PolarHBondContact N-O 2.96Å
698	F	98.8	Very high	95.2	Very high	28 Å²	28	58.7 Å²	58.7	12%	0.123	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	137.6	-176.3	-57.5	-95.4	0	0	0	109.6	Y674 L675 E696 P705	Y674-F698 WeakPolarHBondContact CD1-O 3.22Å; L675-F698 PolarHBondContact N-O 2.92Å; L675-F698 VanDerWaalsContact N-O 3.17Å; L675-F698 PolarHBondContact O-N 3.42Å; E696-F698 HydrophobicContact CB-CD2 4.48Å; E696-F698 HydrophobicContact CB-CE2 3.53Å; E696-F698 HydrophobicContact CB-CZ 3.86Å; E696-F698 WeakPolarHBondContact O-CE2 3.39Å; F698-P705 HydrophobicContact CD1-CB 4.3Å; F698-P705 HydrophobicContact CE1-CB 3.99Å; F698-P705 HydrophobicContact CE1-CG 4.29Å; F698-P705 HydrophobicContact CE2-CB 4.38Å; F698-P705 HydrophobicContact CZ-CB 4.02Å; F698-P705 HydrophobicContact CZ-CG 4.32Å
699	G	98.1	Very high	96.3	Very high	3 Å²	3	56.4 Å²	56.4	3%	0.031	27%	0.268	C	S	.	.			trans	-79.4	176.2	166.3	0	0	0	0	0	110.9	N701 D702	G699-N701 PolarHBondContact O-N 3.46Å; G699-N701 VanDerWaalsContact O-N 3.17Å; G699-D702 VanDerWaalsContact CA-OD2 3.28Å; G699-D702 WeakPolarHBondContact CA-OD2 3.49Å; G699-D702 PolarHBondContact N-OD2 3.42Å; G699-D702 PolarHBondContact O-N 2.95Å; G699-D702 VanDerWaalsContact O-N 3.13Å
700	P	96.6	Very high	96.9	Very high	61 Å²	61	53 Å²	53	40%	0.396	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	121.7	179	24	-33.7	0	0	0	110.8	G673 D702	G673-P700 WeakPolarHBondContact O-CA 3.45Å; P700-D702 PolarHBondContact O-N 2.93Å
701	N	93.1	Very high	97.3	Very high	165 Å²	165	49.5 Å²	49.5	88%	0.882	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.1	12	-179.8	-52.3	-53.5	0	0	0	115.9	G699	G699-N701 PolarHBondContact O-N 3.46Å; G699-N701 VanDerWaalsContact O-N 3.17Å
702	D	95.6	Very high	97.5	Very high	84 Å²	84	51.1 Å²	51.1	45%	0.449	26%	0.255	S	S	.	.			trans	-74.3	129.8	177.3	-77.3	-27.5	0	0	0	111.4	G699 P700	G699-D702 VanDerWaalsContact CA-OD2 3.28Å; G699-D702 WeakPolarHBondContact CA-OD2 3.49Å; G699-D702 PolarHBondContact N-OD2 3.42Å; G699-D702 PolarHBondContact O-N 2.95Å; G699-D702 VanDerWaalsContact O-N 3.13Å; P700-D702 PolarHBondContact O-N 2.93Å
703	K	94.4	Very high	97.4	Very high	205 Å²	205	49.9 Å²	49.9	89%	0.891	25%	0.247	S	C	*	.	S	Bend	trans	-82.2	-18.2	173.2	-65.4	-173	179.9	-177.1	0	113.7
704	K	97.2	Very high	97.1	Very high	171 Å²	171	51.4 Å²	51.4	74%	0.743	26%	0.256	S	S	*	.	S	Bend	trans	-121.3	139.9	-178	-69.4	-175.9	179.9	179	0	109
705	P	98.2	Very high	96.9	Very high	28 Å²	28	49.7 Å²	49.7	18%	0.182	25%	0.251	C	S	.	.			trans	-69.1	138.3	179	28.7	-34	0	0	0	110.8	E696 V697 F698 L707 I708	E696-P705 HydrophobicContact CB-CB 3.91Å; E696-P705 HydrophobicContact CB-CG 4.26Å; E696-P705 HydrophobicContact CG-CB 4.42Å; E696-P705 HydrophobicContact CG-CG 4.26Å; V697-P705 CarbonylContact O-C 3.58Å; V697-P705 WeakPolarHBondContact O-CA 3.45Å; V697-P705 WeakPolarHBondContact O-CB 3.31Å; F698-P705 HydrophobicContact CD1-CB 4.3Å; F698-P705 HydrophobicContact CE1-CB 3.99Å; F698-P705 HydrophobicContact CE1-CG 4.29Å; F698-P705 HydrophobicContact CE2-CB 4.38Å; F698-P705 HydrophobicContact CZ-CB 4.02Å; F698-P705 HydrophobicContact CZ-CG 4.32Å; P705-L707 VanDerWaalsContact C-N 3.33Å; P705-I708 HydrophobicContact CB-CG1 4.22Å; P705-I708 HydrophobicContact CG-CD1 4.01Å; P705-I708 HydrophobicContact CG-CG1 3.78Å
706	F	97.7	Very high	96.8	Very high	21 Å²	21	54.6 Å²	54.6	9%	0.092	27%	0.272	C	S	.	.	S	Bend	trans	-86	-9.6	172.5	71.1	-100.5	0	0	0	112.6	R506 V510 Y674 V697 W721 P722	R506-F706 HydrophobicContact CG-CE2 3.82Å; R506-F706 HydrophobicContact CG-CZ 3.88Å; R506-F706 VanDerWaalsContact NH2-CD2 3.34Å; V510-F706 HydrophobicContact CG2-CE2 4.02Å; V510-F706 HydrophobicContact CG2-CZ 4.48Å; Y674-F706 AromaticContact CD1-CE1 3.74Å; Y674-F706 HydrophobicContact CD1-CE1 3.74Å; Y674-F706 HydrophobicContact CD1-CZ 4.01Å; Y674-F706 AromaticContact CE1-CE1 3.52Å; Y674-F706 HydrophobicContact CE1-CE1 3.52Å; Y674-F706 AromaticContact CE1-CZ 3.78Å; Y674-F706 HydrophobicContact CE1-CZ 3.78Å; V697-F706 HydrophobicContact CB-CE1 4.03Å; V697-F706 HydrophobicContact CB-CE2 4.26Å; V697-F706 HydrophobicContact CB-CZ 3.82Å; V697-F706 HydrophobicContact CG1-CE1 3.6Å; V697-F706 HydrophobicContact CG1-CE2 4.18Å; V697-F706 HydrophobicContact CG1-CZ 3.33Å; V697-F706 WeakPolarHBondContact O-CD1 3.31Å; V697-F706 PolarHBondContact O-N 2.77Å; F706-W721 HydrophobicContact CD2-CZ3 4.25Å; F706-W721 HydrophobicContact CE2-CZ3 4.45Å; F706-P722 HydrophobicContact CB-CG 4.47Å; F706-P722 WeakPolarHBondContact O-CD 3.19Å; F706-P722 WeakPolarHBondContact O-CG 3.5Å
707	L	98.7	Very high	96.8	Very high	1 Å²	1	52.3 Å²	52.3	1%	0.005	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	131.2	174.8	170.6	62.7	0	0	0	108.7	V510 L513 V697 P705 V709 A719 W721 F729	V510-L707 HydrophobicContact CG1-CD2 4.15Å; V510-L707 HydrophobicContact CG2-CD2 3.89Å; L513-L707 HydrophobicContact CD2-CD2 4.4Å; V697-L707 HydrophobicContact CB-CB 4.12Å; V697-L707 HydrophobicContact CG2-CB 4.09Å; V697-L707 HydrophobicContact CG2-CD2 4.01Å; V697-L707 HydrophobicContact CG2-CG 4.17Å; V697-L707 PolarHBondContact N-O 2.96Å; P705-L707 VanDerWaalsContact C-N 3.33Å; L707-V709 HydrophobicContact CD1-CG2 4.02Å; L707-V709 HydrophobicContact CD2-CG2 4.08Å; L707-V709 HydrophobicContact CG-CG2 3.96Å; L707-A719 HydrophobicContact CD1-CB 3.67Å; L707-W721 HydrophobicContact CB-CE3 4.22Å; L707-W721 HydrophobicContact CB-CZ3 3.96Å; L707-W721 HydrophobicContact CD1-CD2 4.07Å; L707-W721 HydrophobicContact CD1-CE3 4.04Å; L707-W721 HydrophobicContact CD1-CH2 4.08Å; L707-W721 HydrophobicContact CD1-CZ2 4.1Å; L707-W721 HydrophobicContact CD1-CZ3 4.02Å; L707-W721 HydrophobicContact CD2-CH2 4.1Å; L707-W721 HydrophobicContact CD2-CZ3 4.28Å; L707-W721 HydrophobicContact CG-CH2 4.49Å; L707-W721 HydrophobicContact CG-CZ3 4.31Å; L707-F729 HydrophobicContact CD2-CE2 4.2Å
708	I	98.8	Very high	96.8	Very high	37 Å²	37	56.2 Å²	56.2	19%	0.19	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	127.1	168.4	-61.7	163.7	0	0	0	107.3	R694 A695 E696 P705 A719 K720	R694-I708 HydrophobicContact CG-CG2 4.19Å; A695-I708 CarbonylContact O-C 3.56Å; A695-I708 VanDerWaalsContact O-CA 3.28Å; A695-I708 WeakPolarHBondContact O-CA 3.46Å; E696-I708 HydrophobicContact CG-CG1 4.36Å; P705-I708 HydrophobicContact CB-CG1 4.22Å; P705-I708 HydrophobicContact CG-CD1 4.01Å; P705-I708 HydrophobicContact CG-CG1 3.78Å; I708-A719 CarbonylContact O-C 3.47Å; I708-A719 WeakPolarHBondContact O-CA 3.25Å; I708-K720 HydrophobicContact CB-CB 4.37Å; I708-K720 PolarHBondContact N-O 3.44Å; I708-K720 PolarHBondContact O-N 3.47Å
709	V	98.9	Very high	96.8	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	128.3	172.2	-177.5	0	0	0	0	108.5	L513 L517 R694 A695 L707 M717 L718 A719 F729	L513-V709 HydrophobicContact CD2-CG2 4.03Å; L517-V709 HydrophobicContact CD1-CB 4.26Å; L517-V709 HydrophobicContact CD1-CG1 3.8Å; R694-V709 CarbonylContact C-O 3.57Å; R694-V709 WeakPolarHBondContact CA-O 3.24Å; A695-V709 HydrophobicContact CB-CB 4.22Å; A695-V709 PolarHBondContact N-O 2.68Å; A695-V709 PolarHBondContact O-N 3.38Å; L707-V709 HydrophobicContact CD1-CG2 4.02Å; L707-V709 HydrophobicContact CD2-CG2 4.08Å; L707-V709 HydrophobicContact CG-CG2 3.96Å; V709-M717 HydrophobicContact CG1-CB 3.81Å; V709-L718 VanDerWaalsContact CA-O 3.32Å; V709-L718 WeakPolarHBondContact CA-O 3.37Å; V709-A719 HydrophobicContact CG2-CB 4.43Å; V709-F729 HydrophobicContact CB-CD1 4.44Å; V709-F729 HydrophobicContact CG1-CB 4.03Å; V709-F729 HydrophobicContact CG1-CD1 3.67Å; V709-F729 HydrophobicContact CG1-CE1 4.34Å; V709-F729 HydrophobicContact CG1-CG 3.97Å; V709-F729 HydrophobicContact CG2-CD1 3.93Å; V709-F729 HydrophobicContact CG2-CD2 4.07Å; V709-F729 HydrophobicContact CG2-CE1 4.04Å; V709-F729 HydrophobicContact CG2-CE2 4.19Å; V709-F729 HydrophobicContact CG2-CG 3.92Å; V709-F729 HydrophobicContact CG2-CZ 4.18Å
710	E	98.4	Very high	96.8	Very high	67 Å²	67	58 Å²	58	31%	0.313	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	148.3	-179.9	58.6	175.3	-135.2	0	0	111.4	L693 R694 M717 L718 K720	L693-E710 WeakPolarHBondContact O-CA 3.43Å; R694-E710 HydrophobicContact CG-CB 4.46Å; E710-M717 CarbonylContact O-C 3.6Å; E710-M717 WeakPolarHBondContact O-CA 3.41Å; E710-L718 PolarHBondContact N-O 3.16Å; E710-L718 PolarHBondContact O-N 2.96Å; E710-K720 WeakPolarHBondContact OE1-CE 3.38Å; E710-K720 IonicContact OE1-NZ 3.14Å; E710-K720 PolarHBondContact OE1-NZ 2.7Å; E710-K720 IonicContact OE2-NZ 3.76Å; E710-K720 PolarHBondContact OE2-NZ 3.39Å
711	G	97.2	Very high	96.9	Very high	22 Å²	22	56.6 Å²	56.6	23%	0.227	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	152.4	-151.5	179.3	0	0	0	0	0	111.4	T692 L693 K716	T692-G711 CarbonylContact C-O 3.52Å; T692-G711 WeakPolarHBondContact CA-O 3.45Å; L693-G711 PolarHBondContact N-O 3.17Å; L693-G711 PolarHBondContact O-N 2.93Å; G711-K716 WeakPolarHBondContact CA-O 3.45Å
712	E	96.1	Very high	96.9	Very high	41 Å²	41	53.4 Å²	53.4	19%	0.192	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	124.6	-176.1	-69.2	162.9	-113.1	0	0	108.8	K689 D691 T692 N714 D715 K716	K689-E712 WeakPolarHBondContact CD-OE1 3.44Å; K689-E712 IonicContact NZ-OE1 2.62Å; K689-E712 PolarHBondContact NZ-OE1 3.45Å; D691-E712 CarbonylContact O-C 3.54Å; D691-E712 WeakPolarHBondContact O-CA 3.38Å; T692-E712 HydrophobicContact CG2-CG 4.07Å; E712-N714 PolarHBondContact O-N 2.9Å; E712-N714 VanDerWaalsContact O-N 3.09Å; E712-D715 HydrophobicContact CB-CB 3.89Å; E712-D715 CarbonylContact O-C 3.49Å; E712-D715 PolarHBondContact O-N 3.1Å; E712-K716 PolarHBondContact N-O 2.86Å
713	W	94.8	Very high	96.7	Very high	2 Å²	2	56.2 Å²	56.2	1%	0.008	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-8.3	-171.8	53.5	-104.7	0	0	0	114.4	F520 L661 F680 D691 L693 M717 T732	F520-W713 HydrophobicContact CB-CE3 4.01Å; F520-W713 HydrophobicContact CB-CZ3 4.47Å; L661-W713 HydrophobicContact CB-CZ2 4.21Å; L661-W713 HydrophobicContact CD1-CD2 4.14Å; L661-W713 HydrophobicContact CD1-CE3 4.39Å; L661-W713 HydrophobicContact CD1-CH2 4.12Å; L661-W713 HydrophobicContact CD1-CZ2 3.98Å; L661-W713 HydrophobicContact CD1-CZ3 4.37Å; L661-W713 HydrophobicContact CG-CH2 4.18Å; L661-W713 HydrophobicContact CG-CZ2 3.82Å; F680-W713 AromaticContact CD1-CD1 3.84Å; F680-W713 HydrophobicContact CD1-CG 4.46Å; F680-W713 HydrophobicContact CE1-CB 4.4Å; F680-W713 HydrophobicContact CE1-CG 4.31Å; D691-W713 VanDerWaalsContact C-CD1 3.46Å; D691-W713 VanDerWaalsContact CA-NE1 3.3Å; D691-W713 HydrophobicContact CB-CD2 4.23Å; D691-W713 HydrophobicContact CB-CZ2 3.9Å; D691-W713 PolarHBondContact O-N 2.95Å; D691-W713 PolarHBondContact O-NE1 3.49Å; L693-W713 HydrophobicContact CD2-CB 3.68Å; L693-W713 HydrophobicContact CD2-CG 4.46Å; L693-W713 HydrophobicContact CG-CB 4.42Å; W713-M717 HydrophobicContact CB-CE 4.43Å; W713-T732 PolarHBondContact O-OG1 2.93Å
714	N	92	Very high	96.5	Very high	36 Å²	36	49.3 Å²	49.3	19%	0.193	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117	12.6	175.2	65	-33.7	0	0	0	113.6	H521 R524 D691 E712 T732	H521-N714 HydrophobicContact CB-CB 4.49Å; R524-N714 PolarHBondContact NH2-ND2 3.39Å; D691-N714 VanDerWaalsContact CB-OD1 3.27Å; D691-N714 WeakPolarHBondContact CB-OD1 3.45Å; D691-N714 PolarHBondContact OD2-ND2 3.35Å; E712-N714 PolarHBondContact O-N 2.9Å; E712-N714 VanDerWaalsContact O-N 3.09Å; N714-T732 VanDerWaalsContact CA-OG1 3.28Å; N714-T732 WeakPolarHBondContact CA-OG1 3.31Å
715	D	94.5	Very high	96.4	Very high	23 Å²	23	45.7 Å²	45.7	12%	0.123	25%	0.245	C	C	.	.	S	Bend	trans	-141.2	-122	173.9	-161.6	-8.3	0	0	0	108.1	E712 T732 R733	E712-D715 HydrophobicContact CB-CB 3.89Å; E712-D715 CarbonylContact O-C 3.49Å; E712-D715 PolarHBondContact O-N 3.1Å; D715-T732 PolarHBondContact N-OG1 3.08Å; D715-T732 PolarHBondContact O-N 3.45Å; D715-T732 PolarHBondContact O-OG1 2.61Å; D715-R733 IonicContact OD1-CZ 2.93Å; D715-R733 IonicContact OD1-NE 3.87Å; D715-R733 IonicContact OD1-NH1 2.76Å; D715-R733 PolarHBondContact OD1-NH1 3.33Å; D715-R733 IonicContact OD1-NH2 3.49Å; D715-R733 IonicContact OD2-CZ 3.14Å; D715-R733 IonicContact OD2-NH1 2.72Å; D715-R733 PolarHBondContact OD2-NH1 3.48Å; D715-R733 IonicContact OD2-NH2 3.2Å; D715-R733 PolarHBondContact OD2-NH2 3.38Å
716	K	96.8	Very high	96.4	Very high	104 Å²	104	49.3 Å²	49.3	45%	0.452	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	138.3	-176.2	-64.7	174.7	-168.7	-165.6	0	111.4	G711 E712 L728 D731	G711-K716 WeakPolarHBondContact CA-O 3.45Å; E712-K716 PolarHBondContact N-O 2.86Å; K716-L728 HydrophobicContact CB-CD1 4.06Å; K716-L728 HydrophobicContact CD-CD1 4.49Å; K716-L728 HydrophobicContact CG-CD1 4.16Å; K716-D731 WeakPolarHBondContact CE-OD2 3.33Å; K716-D731 HydrophobicContact CG-CB 4.16Å; K716-D731 IonicContact NZ-OD2 3.28Å
717	M	98.4	Very high	96.3	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	132.3	169.5	-69.9	176.2	-86.7	0	0	109.8	L517 L693 V709 E710 W713 F729 I730 T732	L517-M717 HydrophobicContact CB-CE 3.86Å; L517-M717 HydrophobicContact CB-SD 4.16Å; L517-M717 HydrophobicContact CD1-SD 4.03Å; L517-M717 HydrophobicContact CG-SD 4.48Å; L517-M717 WeakPolarHBondContact O-CE 3.15Å; L693-M717 HydrophobicContact CD1-SD 3.69Å; L693-M717 HydrophobicContact CD2-SD 3.83Å; L693-M717 HydrophobicContact CG-SD 3.89Å; V709-M717 HydrophobicContact CG1-CB 3.81Å; E710-M717 CarbonylContact O-C 3.6Å; E710-M717 WeakPolarHBondContact O-CA 3.41Å; W713-M717 HydrophobicContact CB-CE 4.43Å; M717-F729 WeakPolarHBondContact O-CA 3.41Å; M717-F729 WeakPolarHBondContact O-CB 3.34Å; M717-F729 PolarHBondContact O-N 3.43Å; M717-I730 HydrophobicContact CB-CG2 4.01Å; M717-I730 HydrophobicContact CE-CG2 3.51Å; M717-I730 PolarHBondContact N-O 3.26Å; M717-I730 PolarHBondContact O-N 3.3Å; M717-I730 HydrophobicContact SD-CG2 4.49Å; M717-T732 HydrophobicContact CE-CG2 4Å
718	L	98.6	Very high	96.3	Very high	81 Å²	81	55.9 Å²	55.9	42%	0.424	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	134.5	-178.2	-60.1	-178.9	0	0	0	110.3	V709 E710 E727 L728	V709-L718 VanDerWaalsContact CA-O 3.32Å; V709-L718 WeakPolarHBondContact CA-O 3.37Å; E710-L718 PolarHBondContact N-O 3.16Å; E710-L718 PolarHBondContact O-N 2.96Å; L718-E727 CarbonylContact C-O 3.49Å; L718-E727 VanDerWaalsContact CA-O 3.31Å; L718-E727 WeakPolarHBondContact CA-O 3.23Å; L718-L728 HydrophobicContact CD2-CB 4.43Å; L718-L728 HydrophobicContact CD2-CD1 4.17Å
719	A	98.7	Very high	96.3	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	133.1	170.3	0	0	0	0	0	110.1	L707 I708 V709 N726 E727 F729	L707-A719 HydrophobicContact CD1-CB 3.67Å; I708-A719 CarbonylContact O-C 3.47Å; I708-A719 WeakPolarHBondContact O-CA 3.25Å; V709-A719 HydrophobicContact CG2-CB 4.43Å; A719-N726 CarbonylContact O-C 3.58Å; A719-N726 VanDerWaalsContact O-CA 3.25Å; A719-N726 WeakPolarHBondContact O-CA 3.49Å; A719-E727 HydrophobicContact CB-CG 4.22Å; A719-E727 PolarHBondContact N-O 3.44Å; A719-E727 PolarHBondContact O-N 2.93Å; A719-F729 HydrophobicContact CB-CB 3.89Å; A719-F729 HydrophobicContact CB-CD2 3.76Å; A719-F729 HydrophobicContact CB-CG 4.2Å
720	K	98.5	Very high	96.3	Very high	68 Å²	68	55.3 Å²	55.3	30%	0.296	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	121.5	172.2	-57.9	-176.1	175.7	167.7	0	109.3	I708 E710 N726	I708-K720 HydrophobicContact CB-CB 4.37Å; I708-K720 PolarHBondContact N-O 3.44Å; I708-K720 PolarHBondContact O-N 3.47Å; E710-K720 WeakPolarHBondContact OE1-CE 3.38Å; E710-K720 IonicContact OE1-NZ 3.14Å; E710-K720 PolarHBondContact OE1-NZ 2.7Å; E710-K720 IonicContact OE2-NZ 3.76Å; E710-K720 PolarHBondContact OE2-NZ 3.39Å; K720-N726 WeakPolarHBondContact CG-OD1 3.47Å
721	W	97.5	Very high	96.2	Very high	33 Å²	33	53.3 Å²	53.3	13%	0.125	28%	0.284	C	S	.	.			trans	-102	151.2	179.1	-57.9	97.5	0	0	0	111.4	V510 F706 L707 H723 G724 K725 E727	V510-W721 HydrophobicContact CG1-CH2 4.47Å; V510-W721 HydrophobicContact CG2-CH2 4.34Å; F706-W721 HydrophobicContact CD2-CZ3 4.25Å; F706-W721 HydrophobicContact CE2-CZ3 4.45Å; L707-W721 HydrophobicContact CB-CE3 4.22Å; L707-W721 HydrophobicContact CB-CZ3 3.96Å; L707-W721 HydrophobicContact CD1-CD2 4.07Å; L707-W721 HydrophobicContact CD1-CE3 4.04Å; L707-W721 HydrophobicContact CD1-CH2 4.08Å; L707-W721 HydrophobicContact CD1-CZ2 4.1Å; L707-W721 HydrophobicContact CD1-CZ3 4.02Å; L707-W721 HydrophobicContact CD2-CH2 4.1Å; L707-W721 HydrophobicContact CD2-CZ3 4.28Å; L707-W721 HydrophobicContact CG-CH2 4.49Å; L707-W721 HydrophobicContact CG-CZ3 4.31Å; W721-H723 AromaticContact CG-NE2 3.96Å; W721-H723 PolarHBondContact O-N 3.38Å; W721-H723 VanDerWaalsContact O-N 3.1Å; W721-G724 PolarHBondContact O-N 3.01Å; W721-K725 HydrophobicContact CB-CB 4.43Å; W721-K725 PolarHBondContact N-O 3.47Å; W721-E727 PolarHBondContact NE1-OE1 3Å
722	P	93.7	Very high	96	Very high	98 Å²	98	52.3 Å²	52.3	64%	0.636	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-29.6	-178.7	-30	33.3	0	0	0	114.9	F706 G724	F706-P722 HydrophobicContact CB-CG 4.47Å; F706-P722 WeakPolarHBondContact O-CD 3.19Å; F706-P722 WeakPolarHBondContact O-CG 3.5Å; P722-G724 PolarHBondContact O-N 3.04Å
723	H	91.8	Very high	95.7	Very high	142 Å²	142	57.7 Å²	57.7	66%	0.657	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	10.8	177.1	62.4	79.1	0	0	0	113.5	W721 K725	W721-H723 AromaticContact CG-NE2 3.96Å; W721-H723 PolarHBondContact O-N 3.38Å; W721-H723 VanDerWaalsContact O-N 3.1Å; H723-K725 WeakPolarHBondContact CE1-CB 3.18Å; H723-K725 WeakPolarHBondContact ND1-CB 3.4Å
724	G	90.8	Very high	95.5	Very high	60 Å²	60	63 Å²	63	62%	0.619	32%	0.321	S	S	*	.	S	Bend	trans	85.6	1.1	173.9	0	0	0	0	0	115.6	W721 P722 N726	W721-G724 PolarHBondContact O-N 3.01Å; P722-G724 PolarHBondContact O-N 3.04Å; G724-N726 PolarHBondContact O-N 2.89Å
725	K	95	Very high	95.4	Very high	96 Å²	96	63.4 Å²	63.4	42%	0.417	32%	0.323	S	S	.	.			trans	-72.5	128.1	173.6	-178.1	-173.1	-179.4	-152.8	0	109.5	W721 H723 E727	W721-K725 HydrophobicContact CB-CB 4.43Å; W721-K725 PolarHBondContact N-O 3.47Å; H723-K725 WeakPolarHBondContact CE1-CB 3.18Å; H723-K725 WeakPolarHBondContact ND1-CB 3.4Å; K725-E727 VanDerWaalsContact CE-CD 3.45Å; K725-E727 WeakPolarHBondContact CE-OE2 3.45Å; K725-E727 IonicContact NZ-OE1 2.74Å; K725-E727 PolarHBondContact NZ-OE1 2.82Å; K725-E727 IonicContact NZ-OE2 3.19Å; K725-E727 PolarHBondContact NZ-OE2 3.09Å
726	N	96.6	Very high	95.1	Very high	104 Å²	104	67.5 Å²	67.5	56%	0.556	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.7	130.6	168.8	-63.6	-15.1	0	0	0	108.5	A719 K720 G724	A719-N726 CarbonylContact O-C 3.58Å; A719-N726 VanDerWaalsContact O-CA 3.25Å; A719-N726 WeakPolarHBondContact O-CA 3.49Å; K720-N726 WeakPolarHBondContact CG-OD1 3.47Å; G724-N726 PolarHBondContact O-N 2.89Å
727	E	97.3	Very high	94.4	Very high	68 Å²	68	66.3 Å²	66.3	32%	0.318	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	161.4	178.9	69	-169.9	143.7	0	0	111.7	L718 A719 W721 K725 F729	L718-E727 CarbonylContact C-O 3.49Å; L718-E727 VanDerWaalsContact CA-O 3.31Å; L718-E727 WeakPolarHBondContact CA-O 3.23Å; A719-E727 HydrophobicContact CB-CG 4.22Å; A719-E727 PolarHBondContact N-O 3.44Å; A719-E727 PolarHBondContact O-N 2.93Å; W721-E727 PolarHBondContact NE1-OE1 3Å; K725-E727 VanDerWaalsContact CE-CD 3.45Å; K725-E727 WeakPolarHBondContact CE-OE2 3.45Å; K725-E727 IonicContact NZ-OE1 2.74Å; K725-E727 PolarHBondContact NZ-OE1 2.82Å; K725-E727 IonicContact NZ-OE2 3.19Å; K725-E727 PolarHBondContact NZ-OE2 3.09Å; E727-F729 PolarHBondContact O-N 3.1Å
728	L	98.3	Very high	93.6	Very high	92 Å²	92	69.6 Å²	69.6	48%	0.482	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	120	171.1	-178.3	67	0	0	0	108.9	K716 L718 I730 D731	K716-L728 HydrophobicContact CB-CD1 4.06Å; K716-L728 HydrophobicContact CD-CD1 4.49Å; K716-L728 HydrophobicContact CG-CD1 4.16Å; L718-L728 HydrophobicContact CD2-CB 4.43Å; L718-L728 HydrophobicContact CD2-CD1 4.17Å; L728-I730 WeakPolarHBondContact CD1-O 3.5Å; L728-D731 HydrophobicContact CD1-CB 4.27Å; L728-D731 HydrophobicContact CD2-CB 4.04Å
729	F	98.5	Very high	93	Very high	12 Å²	12	73 Å²	73	5%	0.053	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	-45.4	176	-170	-112.1	0	0	0	111	V510 L513 R514 L517 L707 V709 M717 A719 E727	V510-F729 HydrophobicContact CG1-CE2 3.85Å; V510-F729 HydrophobicContact CG1-CZ 4.23Å; L513-F729 HydrophobicContact CD2-CE1 4.47Å; L513-F729 HydrophobicContact CD2-CZ 4.28Å; L513-F729 HydrophobicContact CG-CE1 4.29Å; L513-F729 HydrophobicContact CG-CZ 4.31Å; R514-F729 HydrophobicContact CB-CE1 3.81Å; R514-F729 HydrophobicContact CB-CZ 3.71Å; R514-F729 HydrophobicContact CG-CE1 4.19Å; R514-F729 HydrophobicContact CG-CZ 4.35Å; R514-F729 VanDerWaalsContact NH2-CE2 3.27Å; L517-F729 HydrophobicContact CD1-CD1 4.28Å; L517-F729 HydrophobicContact CD1-CE1 4.04Å; L707-F729 HydrophobicContact CD2-CE2 4.2Å; V709-F729 HydrophobicContact CB-CD1 4.44Å; V709-F729 HydrophobicContact CG1-CB 4.03Å; V709-F729 HydrophobicContact CG1-CD1 3.67Å; V709-F729 HydrophobicContact CG1-CE1 4.34Å; V709-F729 HydrophobicContact CG1-CG 3.97Å; V709-F729 HydrophobicContact CG2-CD1 3.93Å; V709-F729 HydrophobicContact CG2-CD2 4.07Å; V709-F729 HydrophobicContact CG2-CE1 4.04Å; V709-F729 HydrophobicContact CG2-CE2 4.19Å; V709-F729 HydrophobicContact CG2-CG 3.92Å; V709-F729 HydrophobicContact CG2-CZ 4.18Å; M717-F729 WeakPolarHBondContact O-CA 3.41Å; M717-F729 WeakPolarHBondContact O-CB 3.34Å; M717-F729 PolarHBondContact O-N 3.43Å; A719-F729 HydrophobicContact CB-CB 3.89Å; A719-F729 HydrophobicContact CB-CD2 3.76Å; A719-F729 HydrophobicContact CB-CG 4.2Å; E727-F729 PolarHBondContact O-N 3.1Å
730	I	97.7	Very high	92.6	Very high	12 Å²	12	74.1 Å²	74.1	6%	0.062	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.1	144.7	176.8	-170.3	165	0	0	0	110.2	L495 R514 M717 L728 T732 L735	L495-I730 HydrophobicContact CD1-CD1 4.21Å; R514-I730 HydrophobicContact CG-CD1 4.35Å; M717-I730 HydrophobicContact CB-CG2 4.01Å; M717-I730 HydrophobicContact CE-CG2 3.51Å; M717-I730 PolarHBondContact N-O 3.26Å; M717-I730 PolarHBondContact O-N 3.3Å; M717-I730 HydrophobicContact SD-CG2 4.49Å; L728-I730 WeakPolarHBondContact CD1-O 3.5Å; I730-T732 HydrophobicContact CD1-CG2 4.29Å; I730-T732 HydrophobicContact CG1-CG2 4.21Å; I730-T732 HydrophobicContact CG2-CG2 4.48Å; I730-L735 HydrophobicContact CD1-CD2 3.9Å; I730-L735 HydrophobicContact CG1-CD2 4.27Å
731	D	96.4	Very high	92.3	Very high	25 Å²	25	72.5 Å²	72.5	13%	0.134	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	94.5	172	-179.1	-15.3	0	0	0	107.8	K716 L728 R733 N734 L735	K716-D731 WeakPolarHBondContact CE-OD2 3.33Å; K716-D731 HydrophobicContact CG-CB 4.16Å; K716-D731 IonicContact NZ-OD2 3.28Å; L728-D731 HydrophobicContact CD1-CB 4.27Å; L728-D731 HydrophobicContact CD2-CB 4.04Å; D731-R733 VanDerWaalsContact C-N 3.31Å; D731-R733 PolarHBondContact O-N 3.17Å; D731-R733 PolarHBondContact OD1-N 2.93Å; D731-N734 PolarHBondContact O-N 3.01Å; D731-N734 PolarHBondContact OD1-N 3.26Å; D731-N734 PolarHBondContact OD1-ND2 2.99Å; D731-N734 PolarHBondContact OD2-ND2 3.41Å; D731-L735 WeakPolarHBondContact O-CB 3.31Å; D731-L735 PolarHBondContact O-N 3Å
732	T	93.9	Very high	92.2	Very high	2 Å²	2	71.1 Å²	71.1	1%	0.012	37%	0.373	C	S	.	.	S	Bend	trans	-70.7	-28.2	-174.4	55	0	0	0	0	112.9	H521 W713 N714 D715 M717 I730 N734 L735	H521-T732 WeakPolarHBondContact CD2-CB 3.42Å; H521-T732 PolarHBondContact CE1-O 3.47Å; H521-T732 VanDerWaalsContact CE1-O 3.3Å; W713-T732 PolarHBondContact O-OG1 2.93Å; N714-T732 VanDerWaalsContact CA-OG1 3.28Å; N714-T732 WeakPolarHBondContact CA-OG1 3.31Å; D715-T732 PolarHBondContact N-OG1 3.08Å; D715-T732 PolarHBondContact O-N 3.45Å; D715-T732 PolarHBondContact O-OG1 2.61Å; M717-T732 HydrophobicContact CE-CG2 4Å; I730-T732 HydrophobicContact CD1-CG2 4.29Å; I730-T732 HydrophobicContact CG1-CG2 4.21Å; I730-T732 HydrophobicContact CG2-CG2 4.48Å; T732-N734 VanDerWaalsContact C-N 3.3Å; T732-N734 PolarHBondContact O-N 3.44Å; T732-L735 PolarHBondContact O-N 3Å
733	R	90.5	Very high	92.1	Very high	154 Å²	154	67.7 Å²	67.7	58%	0.581	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-34.3	177.7	-178.9	177.6	-67.2	144.6	5.3	112.1	D715 D731	D715-R733 IonicContact OD1-CZ 2.93Å; D715-R733 IonicContact OD1-NE 3.87Å; D715-R733 IonicContact OD1-NH1 2.76Å; D715-R733 PolarHBondContact OD1-NH1 3.33Å; D715-R733 IonicContact OD1-NH2 3.49Å; D715-R733 IonicContact OD2-CZ 3.14Å; D715-R733 IonicContact OD2-NH1 2.72Å; D715-R733 PolarHBondContact OD2-NH1 3.48Å; D715-R733 IonicContact OD2-NH2 3.2Å; D715-R733 PolarHBondContact OD2-NH2 3.38Å; D731-R733 VanDerWaalsContact C-N 3.31Å; D731-R733 PolarHBondContact O-N 3.17Å; D731-R733 PolarHBondContact OD1-N 2.93Å
734	N	90.7	Very high	92	Very high	113 Å²	113	62.7 Å²	62.7	60%	0.604	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.8	10	-179.3	-64.3	-53.7	0	0	0	113.4	D731 T732 P736	D731-N734 PolarHBondContact O-N 3.01Å; D731-N734 PolarHBondContact OD1-N 3.26Å; D731-N734 PolarHBondContact OD1-ND2 2.99Å; D731-N734 PolarHBondContact OD2-ND2 3.41Å; T732-N734 VanDerWaalsContact C-N 3.3Å; T732-N734 PolarHBondContact O-N 3.44Å; N734-P736 WeakPolarHBondContact O-CD 3.38Å
735	L	90.3	Very high	91.9	Very high	44 Å²	44	62.6 Å²	62.6	23%	0.23	31%	0.31	C	S	.	.			trans	-91.1	112.3	179.7	-166.9	66.6	0	0	0	109.8	H492 L495 I730 D731 T732 T737	H492-L735 WeakPolarHBondContact CE1-CD2 3.48Å; H492-L735 VanDerWaalsContact CE1-CG 3.42Å; H492-L735 WeakPolarHBondContact CE1-CG 3.27Å; H492-L735 VanDerWaalsContact ND1-CD2 3.3Å; H492-L735 WeakPolarHBondContact ND1-CD2 3.31Å; H492-L735 WeakPolarHBondContact ND1-CG 3.35Å; L495-L735 HydrophobicContact CD1-CD2 4.02Å; I730-L735 HydrophobicContact CD1-CD2 3.9Å; I730-L735 HydrophobicContact CG1-CD2 4.27Å; D731-L735 WeakPolarHBondContact O-CB 3.31Å; D731-L735 PolarHBondContact O-N 3Å; T732-L735 PolarHBondContact O-N 3Å; L735-T737 PolarHBondContact O-N 3.26Å
736	P	86.7	Confident	91.7	Very high	109 Å²	109	63 Å²	63	71%	0.708	33%	0.325	S	S	*	.	P	Polyproline II helix	trans	-65.7	130.7	-177.5	27	-33.9	0	0	0	110.7	N734	N734-P736 WeakPolarHBondContact O-CD 3.38Å
737	T	83.2	Confident	91.5	Very high	80 Å²	80	66 Å²	66	49%	0.491	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-91.9	136.1	174.7	51.1	0	0	0	0	110.2	A491 A522 L735	A491-T737 HydrophobicContact CB-CG2 4.29Å; A522-T737 HydrophobicContact CB-CG2 4.18Å; L735-T737 PolarHBondContact O-N 3.26Å
738	V	80.7	Confident	91.4	Very high	69 Å²	69	63 Å²	63	42%	0.418	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-88	129.8	171.5	-177.1	0	0	0	0	108.4	W545	W545-V738 PolarHBondContact NE1-O 2.95Å; W545-V738 VanDerWaalsContact NE1-O 3.11Å
739	R	85.3	Confident	91.3	Very high	151 Å²	151	61.9 Å²	61.9	57%	0.57	31%	0.307	S	S	*	.	P	Polyproline II helix	trans	-64.5	150.8	178.4	75.6	179.9	92.4	-177.2	6.1	111	H741	R739-H741 PolarHBondContact O-CD2 3.18Å; R739-H741 PolarHBondContact O-N 2.99Å
740	K	91.1	Very high	91.2	Very high	25 Å²	25	66.3 Å²	66.3	11%	0.109	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-69.3	127.3	172.2	-53.7	-170.9	-171.8	69.7	0	109.7	E484 A487 D488 F541 C543 W545	E484-K740 HydrophobicContact CG-CD 4.3Å; E484-K740 WeakPolarHBondContact O-CE 3.41Å; A487-K740 HydrophobicContact CB-CD 3.82Å; D488-K740 WeakPolarHBondContact OD1-CE 3.4Å; D488-K740 IonicContact OD1-NZ 2.75Å; D488-K740 PolarHBondContact OD1-NZ 3.16Å; F541-K740 HydrophobicContact CE1-CD 3.94Å; F541-K740 HydrophobicContact CZ-CD 3.97Å; C543-K740 HydrophobicContact CB-CB 4Å; W545-K740 HydrophobicContact CZ2-CD 4.15Å; W545-K740 HydrophobicContact CZ2-CG 3.68Å
741	H	93.1	Very high	91.1	Very high	34 Å²	34	68.3 Å²	68.3	16%	0.157	34%	0.339	C	S	.	.	B	Isolated β-bridge	trans	-90.9	121.8	168.2	-69.2	-95.2	0	0	0	109.4	T431 C543 Y544 P546 R739	T431-H741 WeakPolarHBondContact CB-ND1 3.44Å; T431-H741 HydrophobicContact CG2-CB 3.69Å; T431-H741 PolarHBondContact OG1-ND1 3.2Å; C543-H741 CarbonylContact C-O 3.48Å; C543-H741 WeakPolarHBondContact CA-O 3.33Å; C543-H741 VanDerWaalsContact CB-O 3.28Å; C543-H741 WeakPolarHBondContact CB-O 3.26Å; Y544-H741 HydrophobicContact CD1-CB 3.74Å; Y544-H741 HydrophobicContact CD2-CB 4.1Å; Y544-H741 HydrophobicContact CE1-CB 3.36Å; Y544-H741 HydrophobicContact CE2-CB 3.74Å; Y544-H741 AromaticContact CE2-CG 3.96Å; Y544-H741 HydrophobicContact CG-CB 4.09Å; Y544-H741 AromaticContact CZ-CG 3.83Å; Y544-H741 PolarHBondContact N-O 3.41Å; Y544-H741 WeakPolarHBondContact O-CB 3.44Å; Y544-H741 PolarHBondContact O-N 3.27Å; P546-H741 VanDerWaalsContact CD-CD2 3.44Å; P546-H741 WeakPolarHBondContact CD-CD2 3.3Å; R739-H741 PolarHBondContact O-CD2 3.18Å; R739-H741 PolarHBondContact O-N 2.99Å
742	V	93.9	Very high	91.2	Very high	3 Å²	3	67.2 Å²	67.2	2%	0.018	33%	0.333	C	S	.	.			trans	-123	156.3	178.5	-58.9	0	0	0	0	110	T431 F541 C543	T431-V742 WeakPolarHBondContact CG2-O 3.5Å; F541-V742 HydrophobicContact CE2-CG1 4.03Å; F541-V742 HydrophobicContact CZ-CG1 3.78Å; C543-V742 HydrophobicContact CB-CG1 3.88Å
743	L	92.1	Very high	91.4	Very high	26 Å²	26	67.2 Å²	67.2	14%	0.136	33%	0.333	C	S	.	.			trans	-60.8	146.9	168.4	-76.2	173.6	0	0	0	110.5	W574 R745 R747 Q748	W574-L743 HydrophobicContact CD2-CD1 4.2Å; W574-L743 HydrophobicContact CD2-CD2 3.64Å; W574-L743 HydrophobicContact CD2-CG 3.72Å; W574-L743 VanDerWaalsContact CE2-CG 3.49Å; W574-L743 HydrophobicContact CE3-CD2 3.62Å; W574-L743 HydrophobicContact CE3-CG 3.93Å; W574-L743 HydrophobicContact CG-CD1 4.4Å; W574-L743 HydrophobicContact CG-CD2 4.07Å; W574-L743 HydrophobicContact CG-CG 4.35Å; W574-L743 HydrophobicContact CH2-CD2 4.43Å; W574-L743 HydrophobicContact CH2-CG 3.9Å; W574-L743 VanDerWaalsContact CH2-N 3.32Å; W574-L743 HydrophobicContact CZ2-CD1 4.23Å; W574-L743 HydrophobicContact CZ2-CD2 4.43Å; W574-L743 HydrophobicContact CZ2-CG 3.66Å; W574-L743 HydrophobicContact CZ3-CD2 3.92Å; W574-L743 HydrophobicContact CZ3-CG 3.9Å; L743-R745 PolarHBondContact O-N 2.99Å; L743-R747 HydrophobicContact CB-CB 4.41Å; L743-Q748 HydrophobicContact CB-CG 3.97Å; L743-Q748 PolarHBondContact O-NE2 3.35Å
744	P	90.4	Very high	91.6	Very high	37 Å²	37	60.6 Å²	60.6	24%	0.24	31%	0.308	C	S	.	.			trans	-52.8	141.1	164.7	-24.3	33.2	0	0	0	110.5	D430 S746 R747 Q748	D430-P744 WeakPolarHBondContact O-CD 3.29Å; D430-P744 WeakPolarHBondContact O-CG 3.41Å; P744-S746 PolarHBondContact O-N 3.34Å; P744-R747 WeakPolarHBondContact O-CA 3.5Å; P744-R747 PolarHBondContact O-N 2.96Å; P744-Q748 PolarHBondContact O-N 3.21Å
745	R	88.9	Confident	91.9	Very high	59 Å²	59	60.3 Å²	60.3	22%	0.223	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-52.8	-32.2	-177.8	-71.8	178.7	-74.7	147.1	12.8	113.7	D433 L435 L743 R747 Q748 R754 R755 E758	D433-R745 IonicContact OD1-CZ 3.97Å; D433-R745 IonicContact OD1-NE 2.92Å; D433-R745 PolarHBondContact OD1-NE 3.14Å; D433-R745 IonicContact OD1-NH2 2.78Å; D433-R745 PolarHBondContact OD1-NH2 2.95Å; D433-R745 WeakPolarHBondContact OD2-CD 3.37Å; D433-R745 WeakPolarHBondContact OD2-CG 3.24Å; D433-R745 IonicContact OD2-CZ 3.51Å; D433-R745 IonicContact OD2-NE 2.65Å; D433-R745 PolarHBondContact OD2-NE 3.19Å; L435-R745 VanDerWaalsContact CD2-NH1 3.29Å; L743-R745 PolarHBondContact O-N 2.99Å; R745-R747 PolarHBondContact O-N 3.04Å; R745-Q748 PolarHBondContact O-N 2.8Å; R745-R754 VanDerWaalsContact CD-O 3.27Å; R745-R754 WeakPolarHBondContact CD-O 3.35Å; R745-R754 HydrophobicContact CG-CB 4.14Å; R745-R755 WeakPolarHBondContact O-CD 3.36Å; R745-E758 IonicContact CZ-OE1 3.12Å; R745-E758 IonicContact NH1-OE1 2.69Å; R745-E758 PolarHBondContact NH1-OE1 3.38Å; R745-E758 IonicContact NH1-OE2 2.78Å; R745-E758 IonicContact NH2-OE1 2.81Å
746	S	90	Very high	92.2	Very high	104 Å²	104	59.4 Å²	59.4	73%	0.727	29%	0.293	S	S	*	.	G	3₁₀ helix	trans	-63.9	-19.8	175.6	57.7	0	0	0	0	114.4	P744	P744-S746 PolarHBondContact O-N 3.34Å
747	R	93.5	Very high	92.7	Very high	167 Å²	167	54.6 Å²	54.6	63%	0.63	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	-108.9	-4.6	177.5	-62.3	-172.8	-179.1	167.2	5.2	113.5	L743 P744 R745	L743-R747 HydrophobicContact CB-CB 4.41Å; P744-R747 WeakPolarHBondContact O-CA 3.5Å; P744-R747 PolarHBondContact O-N 2.96Å; R745-R747 PolarHBondContact O-N 3.04Å
748	Q	94.9	Very high	93.3	Very high	4 Å²	4	54.8 Å²	54.8	2%	0.019	26%	0.256	C	S	.	.	S	Bend	trans	-76.1	155.2	176.1	-74.1	-171.4	6.3	0	0	111.7	L743 P744 R745 E752 R755	L743-Q748 HydrophobicContact CB-CG 3.97Å; L743-Q748 PolarHBondContact O-NE2 3.35Å; P744-Q748 PolarHBondContact O-N 3.21Å; R745-Q748 PolarHBondContact O-N 2.8Å; Q748-E752 VanDerWaalsContact CA-OE2 3.23Å; Q748-E752 WeakPolarHBondContact CA-OE2 3.44Å; Q748-E752 HydrophobicContact CB-CB 3.99Å; Q748-E752 HydrophobicContact CB-CG 4.18Å; Q748-E752 WeakPolarHBondContact CB-OE2 3.21Å; Q748-E752 HydrophobicContact CG-CB 4.48Å; Q748-E752 HydrophobicContact CG-CG 4.13Å; Q748-E752 WeakPolarHBondContact CG-OE2 3.33Å; Q748-R755 HydrophobicContact CB-CB 4.04Å; Q748-R755 WeakPolarHBondContact O-CD 3.36Å; Q748-R755 PolarHBondContact O-NH1 2.74Å; Q748-R755 VanDerWaalsContact OE1-N 3.13Å
749	E	95.5	Very high	94	Very high	70 Å²	70	55.5 Å²	55.5	33%	0.327	26%	0.255	S	S	.	.			trans	-69.4	156.9	172.3	-71.3	163.5	-137.1	0	0	111.2	I540 R542 N751 E752 R755 Y801	I540-E749 WeakPolarHBondContact CD1-OE2 3.49Å; R542-E749 IonicContact CZ-OE1 2.7Å; R542-E749 IonicContact NH1-OE1 2.65Å; R542-E749 PolarHBondContact NH1-OE1 3.25Å; R542-E749 IonicContact NH2-OE1 3.7Å; R542-E749 PolarHBondContact NH2-OE1 3.39Å; E749-N751 WeakPolarHBondContact CB-OD1 3.49Å; E749-N751 PolarHBondContact O-N 3.37Å; E749-E752 HydrophobicContact CB-CB 4.34Å; E749-E752 PolarHBondContact N-OE2 3.4Å; E749-E752 VanDerWaalsContact N-OE2 3.13Å; E749-E752 WeakPolarHBondContact O-CB 3.31Å; E749-E752 PolarHBondContact O-N 3.15Å; E749-R755 WeakPolarHBondContact O-CD 3.24Å; E749-Y801 PolarHBondContact OE2-OH 2.83Å
750	E	96.2	Very high	94.5	Very high	105 Å²	105	48.3 Å²	48.3	49%	0.491	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-32.8	-176.7	-170.4	-176.9	167.5	0	0	112.8	R782	E750-R782 IonicContact OE1-CZ 2.97Å; E750-R782 IonicContact OE1-NH1 3.41Å; E750-R782 PolarHBondContact OE1-NH1 3.02Å; E750-R782 IonicContact OE1-NH2 2.89Å; E750-R782 PolarHBondContact OE1-NH2 3.43Å; E750-R782 IonicContact OE2-NH2 3.81Å
751	N	97	Very high	94.7	Very high	54 Å²	54	47.1 Å²	47.1	29%	0.289	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	4.2	177.5	62.5	-38.1	0	0	0	113.6	G538 E539 I540 E749	G538-N751 PolarHBondContact O-ND2 3.19Å; E539-N751 VanDerWaalsContact CA-O 3.32Å; E539-N751 WeakPolarHBondContact CA-O 3.49Å; E539-N751 WeakPolarHBondContact CG-O 3.36Å; I540-N751 PolarHBondContact N-O 3.09Å; E749-N751 WeakPolarHBondContact CB-OD1 3.49Å; E749-N751 PolarHBondContact O-N 3.37Å
752	E	97.8	Very high	94.7	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.005	24%	0.236	C	C	.	.	B	Isolated β-bridge	trans	-79.6	131.7	177.4	-166.6	159.7	-160.2	0	0	110.4	I540 R542 Q748 E749 R754 R755 L756	I540-E752 HydrophobicContact CD1-CB 4.5Å; I540-E752 HydrophobicContact CG1-CB 4.02Å; I540-E752 HydrophobicContact CG1-CG 4.2Å; I540-E752 CarbonylContact O-C 3.5Å; I540-E752 VanDerWaalsContact O-CA 3.25Å; I540-E752 WeakPolarHBondContact O-CA 3.48Å; R542-E752 WeakPolarHBondContact CB-OE1 3.47Å; R542-E752 IonicContact CZ-OE1 3.87Å; R542-E752 IonicContact CZ-OE2 2.72Å; R542-E752 IonicContact NE-OE1 3.92Å; R542-E752 PolarHBondContact NE-OE1 3.23Å; R542-E752 IonicContact NE-OE2 3.99Å; R542-E752 IonicContact NH2-OE1 2.72Å; R542-E752 PolarHBondContact NH2-OE1 3.46Å; R542-E752 IonicContact NH2-OE2 3.8Å; R542-E752 PolarHBondContact NH2-OE2 3.18Å; Q748-E752 VanDerWaalsContact CA-OE2 3.23Å; Q748-E752 WeakPolarHBondContact CA-OE2 3.44Å; Q748-E752 HydrophobicContact CB-CB 3.99Å; Q748-E752 HydrophobicContact CB-CG 4.18Å; Q748-E752 WeakPolarHBondContact CB-OE2 3.21Å; Q748-E752 HydrophobicContact CG-CB 4.48Å; Q748-E752 HydrophobicContact CG-CG 4.13Å; Q748-E752 WeakPolarHBondContact CG-OE2 3.33Å; E749-E752 HydrophobicContact CB-CB 4.34Å; E749-E752 PolarHBondContact N-OE2 3.4Å; E749-E752 VanDerWaalsContact N-OE2 3.13Å; E749-E752 WeakPolarHBondContact O-CB 3.31Å; E749-E752 PolarHBondContact O-N 3.15Å; E752-R754 VanDerWaalsContact C-N 3.29Å; E752-R754 PolarHBondContact O-N 3.37Å; E752-R755 PolarHBondContact O-N 3.37Å; E752-L756 PolarHBondContact O-N 3.35Å
753	S	97.8	Very high	94.7	Very high	2 Å²	2	51.4 Å²	51.4	1%	0.014	24%	0.239	C	C	.	.	H	α-helix	trans	-50.7	-43.2	-160.2	-60.1	0	0	0	0	114.1	E539 I540 L756 W757	E539-S753 VanDerWaalsContact OE1-CB 3.24Å; E539-S753 WeakPolarHBondContact OE1-CB 3.39Å; E539-S753 PolarHBondContact OE1-OG 2.92Å; I540-S753 PolarHBondContact O-N 3.46Å; I540-S753 PolarHBondContact O-OG 2.7Å; I540-S753 VanDerWaalsContact O-OG 3.11Å; S753-L756 PolarHBondContact O-N 2.88Å; S753-W757 WeakPolarHBondContact O-CB 3.34Å; S753-W757 VanDerWaalsContact O-CD1 3.27Å; S753-W757 PolarHBondContact O-N 3.46Å
754	R	95.2	Very high	94.6	Very high	16 Å²	16	50.4 Å²	50.4	6%	0.06	23%	0.234	C	C	.	.	H	α-helix	trans	-74	-27.3	-176.4	-64.7	-169.2	178.7	-174.8	1.6	113.3	Y436 E484 F541 R745 E752 E758	Y436-R754 HydrophobicContact CD2-CG 4.39Å; Y436-R754 HydrophobicContact CE1-CG 4.07Å; Y436-R754 HydrophobicContact CE2-CB 3.83Å; Y436-R754 HydrophobicContact CE2-CG 3.84Å; Y436-R754 WeakPolarHBondContact OH-CA 3.45Å; Y436-R754 PolarHBondContact OH-O 3.35Å; Y436-R754 VanDerWaalsContact OH-O 3.12Å; E484-R754 IonicContact OE1-CZ 3.4Å; E484-R754 IonicContact OE1-NE 2.96Å; E484-R754 IonicContact OE1-NH2 3.06Å; E484-R754 PolarHBondContact OE1-NH2 3.5Å; E484-R754 IonicContact OE2-CZ 2.84Å; E484-R754 IonicContact OE2-NE 3.68Å; E484-R754 PolarHBondContact OE2-NE 3.01Å; E484-R754 IonicContact OE2-NH2 2.65Å; F541-R754 HydrophobicContact CE2-CG 4.29Å; R745-R754 VanDerWaalsContact CD-O 3.27Å; R745-R754 WeakPolarHBondContact CD-O 3.35Å; R745-R754 HydrophobicContact CG-CB 4.14Å; E752-R754 VanDerWaalsContact C-N 3.29Å; E752-R754 PolarHBondContact O-N 3.37Å; R754-E758 PolarHBondContact O-N 2.92Å
755	R	95.9	Very high	94.5	Very high	106 Å²	106	52 Å²	52	40%	0.4	24%	0.238	S	C	.	.	H	α-helix	trans	-79.9	-42.2	171.3	-175.8	173.1	176.9	179.3	-2.8	111.2	R745 Q748 E749 E752 E758	R745-R755 WeakPolarHBondContact O-CD 3.36Å; Q748-R755 HydrophobicContact CB-CB 4.04Å; Q748-R755 WeakPolarHBondContact O-CD 3.36Å; Q748-R755 PolarHBondContact O-NH1 2.74Å; Q748-R755 VanDerWaalsContact OE1-N 3.13Å; E749-R755 WeakPolarHBondContact O-CD 3.24Å; E752-R755 PolarHBondContact O-N 3.37Å; R755-E758 WeakPolarHBondContact O-CB 3.33Å
756	L	97.6	Very high	94.5	Very high	25 Å²	25	53.1 Å²	53.1	13%	0.131	25%	0.25	C	S	.	.	H	α-helix	trans	-62.6	-45.4	-179.2	-178.6	66.4	0	0	0	112.3	T536 E539 E752 S753 L779	T536-L756 HydrophobicContact CG2-CD2 4.08Å; T536-L756 VanDerWaalsContact OG1-CD2 3.27Å; T536-L756 WeakPolarHBondContact OG1-CD2 3.14Å; E539-L756 HydrophobicContact CB-CD2 4.17Å; E539-L756 HydrophobicContact CG-CD2 3.76Å; E539-L756 WeakPolarHBondContact OE2-CD2 3.3Å; E752-L756 PolarHBondContact O-N 3.35Å; S753-L756 PolarHBondContact O-N 2.88Å; L756-L779 HydrophobicContact CD1-CD2 3.84Å; L756-L779 HydrophobicContact CG-CD2 4.42Å
757	W	96.7	Very high	94.3	Very high	9 Å²	9	50.1 Å²	50.1	3%	0.034	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	1.9	-175.5	-68.2	99.9	0	0	0	114.2	Y533 N534 T536 E539 S753 E759 V760 T761 L779	Y533-W757 HydrophobicContact CD1-CE3 4.26Å; Y533-W757 HydrophobicContact CD1-CZ3 4.46Å; Y533-W757 HydrophobicContact CD2-CB 3.73Å; Y533-W757 AromaticContact CD2-CD1 3.96Å; Y533-W757 AromaticContact CD2-CD2 3.48Å; Y533-W757 HydrophobicContact CD2-CD2 3.48Å; Y533-W757 VanDerWaalsContact CD2-CD2 3.48Å; Y533-W757 AromaticContact CD2-CE3 3.81Å; Y533-W757 HydrophobicContact CD2-CE3 3.81Å; Y533-W757 AromaticContact CD2-CG 3.44Å; Y533-W757 HydrophobicContact CD2-CG 3.44Å; Y533-W757 VanDerWaalsContact CD2-CG 3.44Å; Y533-W757 HydrophobicContact CE2-CB 3.67Å; Y533-W757 HydrophobicContact CE2-CD2 4.18Å; Y533-W757 HydrophobicContact CE2-CE3 4.3Å; Y533-W757 AromaticContact CE2-CG 3.93Å; Y533-W757 HydrophobicContact CE2-CG 3.93Å; Y533-W757 AromaticContact CG-CD2 3.77Å; Y533-W757 HydrophobicContact CG-CD2 3.77Å; Y533-W757 AromaticContact CG-CE3 3.79Å; Y533-W757 HydrophobicContact CG-CE3 3.79Å; Y533-W757 HydrophobicContact CG-CG 4.22Å; Y533-W757 HydrophobicContact CG-CZ2 4.49Å; Y533-W757 HydrophobicContact CG-CZ3 4.18Å; N534-W757 WeakPolarHBondContact O-CZ2 3.44Å; T536-W757 HydrophobicContact CG2-CZ2 4Å; E539-W757 VanDerWaalsContact CD-NE1 3.31Å; E539-W757 PolarHBondContact OE1-NE1 3.48Å; E539-W757 PolarHBondContact OE2-NE1 3.24Å; S753-W757 WeakPolarHBondContact O-CB 3.34Å; S753-W757 VanDerWaalsContact O-CD1 3.27Å; S753-W757 PolarHBondContact O-N 3.46Å; W757-E759 VanDerWaalsContact C-N 3.28Å; W757-E759 PolarHBondContact O-N 2.81Å; W757-E759 VanDerWaalsContact O-N 3.11Å; W757-V760 HydrophobicContact CE3-CB 4.12Å; W757-V760 HydrophobicContact CE3-CG1 4.43Å; W757-V760 HydrophobicContact CE3-CG2 3.88Å; W757-V760 HydrophobicContact CZ3-CG2 4.21Å; W757-V760 PolarHBondContact O-N 3.24Å; W757-T761 PolarHBondContact O-N 2.98Å; W757-T761 PolarHBondContact O-OG1 3.31Å; W757-T761 VanDerWaalsContact O-OG1 3.11Å; W757-L779 HydrophobicContact CD2-CD1 4.29Å; W757-L779 HydrophobicContact CE3-CD1 3.76Å; W757-L779 HydrophobicContact CZ3-CD1 3.92Å
758	E	95.3	Very high	94.2	Very high	83 Å²	83	45.7 Å²	45.7	39%	0.388	23%	0.225	S	C	.	.	H	α-helix	trans	-44.8	-50	-174.3	159.1	168	-146.3	0	0	112.8	R745 R754 R755 V760 T761 Y762	R745-E758 IonicContact CZ-OE1 3.12Å; R745-E758 IonicContact NH1-OE1 2.69Å; R745-E758 PolarHBondContact NH1-OE1 3.38Å; R745-E758 IonicContact NH1-OE2 2.78Å; R745-E758 IonicContact NH2-OE1 2.81Å; R754-E758 PolarHBondContact O-N 2.92Å; R755-E758 WeakPolarHBondContact O-CB 3.33Å; E758-V760 PolarHBondContact O-N 2.96Å; E758-T761 PolarHBondContact O-N 2.95Å; E758-Y762 WeakPolarHBondContact O-CB 3.37Å; E758-Y762 PolarHBondContact O-N 2.91Å
759	E	96.6	Very high	93.9	Very high	84 Å²	84	46.5 Å²	46.5	39%	0.393	23%	0.229	S	C	.	.	H	α-helix	trans	-69.4	-37.3	-174.1	-169.2	177	-170.6	0	0	112.4	W757 N763 A775 R778	W757-E759 VanDerWaalsContact C-N 3.28Å; W757-E759 PolarHBondContact O-N 2.81Å; W757-E759 VanDerWaalsContact O-N 3.11Å; E759-N763 PolarHBondContact O-N 3.38Å; E759-N763 VanDerWaalsContact O-N 3.15Å; E759-N763 PolarHBondContact O-ND2 2.85Å; E759-A775 HydrophobicContact CB-CB 4.15Å; E759-A775 HydrophobicContact CG-CB 3.74Å; E759-R778 IonicContact OE1-CZ 3.22Å; E759-R778 IonicContact OE1-NH1 2.96Å; E759-R778 IonicContact OE1-NH2 3.07Å; E759-R778 PolarHBondContact OE1-NH2 3.01Å; E759-R778 IonicContact OE2-CZ 3.57Å; E759-R778 VanDerWaalsContact OE2-CZ 3.25Å; E759-R778 IonicContact OE2-NH1 3.67Å; E759-R778 PolarHBondContact OE2-NH1 3.28Å; E759-R778 IonicContact OE2-NH2 2.66Å; E759-R778 PolarHBondContact OE2-NH2 3.31Å
760	V	95.9	Very high	93.8	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-65.8	-46.7	174.7	-179.2	0	0	0	0	109.4	Y533 W757 E758 Y762 N763 L764 A775 K776 L779	Y533-V760 HydrophobicContact CE1-CG1 3.97Å; W757-V760 HydrophobicContact CE3-CB 4.12Å; W757-V760 HydrophobicContact CE3-CG1 4.43Å; W757-V760 HydrophobicContact CE3-CG2 3.88Å; W757-V760 HydrophobicContact CZ3-CG2 4.21Å; W757-V760 PolarHBondContact O-N 3.24Å; E758-V760 PolarHBondContact O-N 2.96Å; V760-Y762 PolarHBondContact O-N 3.22Å; V760-N763 PolarHBondContact O-N 3.42Å; V760-L764 HydrophobicContact CG1-CD1 4.01Å; V760-L764 WeakPolarHBondContact O-CB 3.37Å; V760-L764 WeakPolarHBondContact O-CG 3.29Å; V760-L764 PolarHBondContact O-N 3.25Å; V760-A775 HydrophobicContact CG2-CB 3.86Å; V760-K776 HydrophobicContact CG2-CB 4.06Å; V760-L779 HydrophobicContact CG2-CD1 3.91Å
761	T	93.8	Very high	93.8	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-63.1	-42.4	179.9	-53.4	0	0	0	0	111.9	L435 Y436 R479 Y533 W757 E758 L764 K765	L435-T761 HydrophobicContact CD1-CG2 4.05Å; L435-T761 HydrophobicContact CD2-CG2 4.08Å; L435-T761 HydrophobicContact CG-CG2 3.7Å; Y436-T761 HydrophobicContact CD1-CG2 4.17Å; Y436-T761 HydrophobicContact CE1-CG2 3.72Å; Y436-T761 HydrophobicContact CE2-CG2 4.47Å; Y436-T761 PolarHBondContact OH-OG1 2.64Å; R479-T761 HydrophobicContact CB-CG2 3.9Å; R479-T761 HydrophobicContact CG-CG2 4.06Å; Y533-T761 WeakPolarHBondContact CE2-OG1 3.19Å; Y533-T761 WeakPolarHBondContact OH-CA 3.43Å; Y533-T761 PolarHBondContact OH-OG1 3.05Å; W757-T761 PolarHBondContact O-N 2.98Å; W757-T761 PolarHBondContact O-OG1 3.31Å; W757-T761 VanDerWaalsContact O-OG1 3.11Å; E758-T761 PolarHBondContact O-N 2.95Å; T761-L764 PolarHBondContact O-N 3.39Å; T761-K765 WeakPolarHBondContact O-CB 3.03Å; T761-K765 PolarHBondContact O-N 2.86Å
762	Y	93.3	Very high	93.6	Very high	110 Å²	110	39.9 Å²	39.9	43%	0.431	20%	0.203	S	C	.	.	H	α-helix	trans	-58.6	-52	176.1	177.1	-98.2	0	0	0	111.7	L435 E758 V760 L764 K765 V766	L435-Y762 HydrophobicContact CD1-CD2 4.39Å; E758-Y762 WeakPolarHBondContact O-CB 3.37Å; E758-Y762 PolarHBondContact O-N 2.91Å; V760-Y762 PolarHBondContact O-N 3.22Å; Y762-L764 VanDerWaalsContact C-N 3.32Å; Y762-L764 PolarHBondContact O-N 3.49Å; Y762-K765 PolarHBondContact O-N 3.21Å; Y762-K765 VanDerWaalsContact O-N 3.16Å; Y762-V766 HydrophobicContact CE1-CG1 4.42Å; Y762-V766 HydrophobicContact CE1-CG2 4.37Å; Y762-V766 HydrophobicContact CE2-CG1 4.08Å; Y762-V766 WeakPolarHBondContact O-CG2 3.41Å; Y762-V766 PolarHBondContact O-N 3.06Å; Y762-V766 VanDerWaalsContact O-N 3.07Å
763	N	95	Very high	93.4	Very high	17 Å²	17	40.6 Å²	40.6	9%	0.091	21%	0.208	C	C	.	.	H	α-helix	trans	-65.8	-35.1	-178.3	-74.6	-61.9	0	0	0	112.5	E759 V760 G767 N768 A771 A772	E759-N763 PolarHBondContact O-N 3.38Å; E759-N763 VanDerWaalsContact O-N 3.15Å; E759-N763 PolarHBondContact O-ND2 2.85Å; V760-N763 PolarHBondContact O-N 3.42Å; N763-G767 PolarHBondContact O-N 2.84Å; N763-N768 HydrophobicContact CB-CB 4.49Å; N763-N768 PolarHBondContact O-N 2.99Å; N763-A771 HydrophobicContact CB-CB 4.17Å; N763-A771 VanDerWaalsContact OD1-CB 3.26Å; N763-A771 WeakPolarHBondContact OD1-CB 3.41Å; N763-A772 HydrophobicContact CB-CB 3.67Å
764	L	90.1	Very high	93.4	Very high	5 Å²	5	45.3 Å²	45.3	3%	0.026	23%	0.233	C	C	.	.	H	α-helix	trans	-64.2	-44.9	171	-74.2	170.7	0	0	0	112.1	L444 T474 L477 R479 Y533 V760 T761 Y762 V766 G767 I769 A772	L444-L764 VanDerWaalsContact CD1-O 3.31Å; L444-L764 WeakPolarHBondContact CD1-O 3.36Å; L444-L764 HydrophobicContact CD2-CD2 4.1Å; T474-L764 HydrophobicContact CG2-CD2 4.33Å; L477-L764 HydrophobicContact CB-CD1 4.28Å; R479-L764 HydrophobicContact CG-CB 4.03Å; R479-L764 HydrophobicContact CG-CD1 4.28Å; Y533-L764 HydrophobicContact CE1-CD1 3.97Å; Y533-L764 WeakPolarHBondContact OH-CD1 3.39Å; V760-L764 HydrophobicContact CG1-CD1 4.01Å; V760-L764 WeakPolarHBondContact O-CB 3.37Å; V760-L764 WeakPolarHBondContact O-CG 3.29Å; V760-L764 PolarHBondContact O-N 3.25Å; T761-L764 PolarHBondContact O-N 3.39Å; Y762-L764 VanDerWaalsContact C-N 3.32Å; Y762-L764 PolarHBondContact O-N 3.49Å; L764-V766 VanDerWaalsContact C-N 3.3Å; L764-V766 PolarHBondContact O-N 3.22Å; L764-G767 PolarHBondContact O-N 2.85Å; L764-I769 HydrophobicContact CD2-CD1 4.3Å; L764-A772 HydrophobicContact CD2-CB 4.08Å; L764-A772 HydrophobicContact CG-CB 3.96Å
765	K	87.8	Confident	93.5	Very high	72 Å²	72	44.6 Å²	44.6	31%	0.313	23%	0.23	S	C	.	.	H	α-helix	trans	-60.3	-39.3	179.6	-175.8	176.9	178.9	-177.3	0	112	E434 L435 T761 Y762 G767	E434-K765 PolarHBondContact O-NZ 2.78Å; E434-K765 IonicContact OE1-NZ 3.82Å; L435-K765 HydrophobicContact CD1-CB 4.02Å; L435-K765 HydrophobicContact CD1-CD 3.77Å; T761-K765 WeakPolarHBondContact O-CB 3.03Å; T761-K765 PolarHBondContact O-N 2.86Å; Y762-K765 PolarHBondContact O-N 3.21Å; Y762-K765 VanDerWaalsContact O-N 3.16Å; K765-G767 VanDerWaalsContact C-N 3.35Å
766	V	89	Confident	93.4	Very high	81 Å²	81	40.5 Å²	40.5	49%	0.491	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	5.3	-179.3	-54.9	0	0	0	0	114.2	Y762 L764 N768	Y762-V766 HydrophobicContact CE1-CG1 4.42Å; Y762-V766 HydrophobicContact CE1-CG2 4.37Å; Y762-V766 HydrophobicContact CE2-CG1 4.08Å; Y762-V766 WeakPolarHBondContact O-CG2 3.41Å; Y762-V766 PolarHBondContact O-N 3.06Å; Y762-V766 VanDerWaalsContact O-N 3.07Å; L764-V766 VanDerWaalsContact C-N 3.3Å; L764-V766 PolarHBondContact O-N 3.22Å; V766-N768 HydrophobicContact CG2-CB 4.1Å
767	G	86.5	Confident	93.2	Very high	42 Å²	42	42.7 Å²	42.7	43%	0.433	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.2	5.3	178.3	0	0	0	0	0	116.3	N763 L764 K765 I769	N763-G767 PolarHBondContact O-N 2.84Å; L764-G767 PolarHBondContact O-N 2.85Å; K765-G767 VanDerWaalsContact C-N 3.35Å; G767-I769 PolarHBondContact O-N 2.9Å
768	N	91.2	Very high	93.2	Very high	73 Å²	73	48 Å²	48	39%	0.39	25%	0.245	S	C	.	.			trans	-91.7	81.2	-176.2	-167.3	-17	0	0	0	111.9	N763 V766 D770 A771 A772	N763-N768 HydrophobicContact CB-CB 4.49Å; N763-N768 PolarHBondContact O-N 2.99Å; V766-N768 HydrophobicContact CG2-CB 4.1Å; N768-D770 VanDerWaalsContact C-N 3.34Å; N768-D770 PolarHBondContact O-N 2.75Å; N768-A771 HydrophobicContact CB-CB 4.19Å; N768-A771 WeakPolarHBondContact ND2-CB 3.47Å; N768-A771 PolarHBondContact O-N 3.13Å; N768-A771 WeakPolarHBondContact OD1-CB 3.47Å; N768-A771 PolarHBondContact OD1-N 2.79Å; N768-A771 VanDerWaalsContact OD1-N 3.11Å; N768-A772 WeakPolarHBondContact O-CB 3.31Å; N768-A772 PolarHBondContact O-N 2.85Å
769	I	88.7	Confident	93.3	Very high	21 Å²	21	45.4 Å²	45.4	11%	0.108	23%	0.234	C	C	.	.	H	α-helix	trans	-62.9	-37.7	-175.6	-52.6	-54.4	0	0	0	112.8	L444 F475 L764 G767 A772 S773	L444-I769 HydrophobicContact CD1-CD1 4.42Å; L444-I769 HydrophobicContact CD2-CD1 3.5Å; L444-I769 HydrophobicContact CG-CD1 4.02Å; F475-I769 HydrophobicContact CB-CD1 3.94Å; F475-I769 HydrophobicContact CB-CG1 4.39Å; F475-I769 HydrophobicContact CB-CG2 4.11Å; L764-I769 HydrophobicContact CD2-CD1 4.3Å; G767-I769 PolarHBondContact O-N 2.9Å; I769-A772 PolarHBondContact O-N 2.81Å; I769-S773 WeakPolarHBondContact O-CB 3.11Å; I769-S773 PolarHBondContact O-N 2.86Å; I769-S773 PolarHBondContact O-OG 2.66Å
770	D	91.9	Very high	93	Very high	65 Å²	65	42.2 Å²	42.2	35%	0.348	22%	0.219	S	C	.	.	H	α-helix	trans	-66.5	-48	-179.8	-69.9	-34.3	0	0	0	110.3	N768 A772 S773 D774	N768-D770 VanDerWaalsContact C-N 3.34Å; N768-D770 PolarHBondContact O-N 2.75Å; D770-A772 VanDerWaalsContact C-N 3.33Å; D770-A772 PolarHBondContact O-N 3.38Å; D770-S773 WeakPolarHBondContact O-CB 3.19Å; D770-S773 PolarHBondContact O-N 2.86Å; D770-S773 VanDerWaalsContact O-N 3.13Å; D770-D774 PolarHBondContact O-N 3.4Å
771	A	95.9	Very high	93	Very high	25 Å²	25	45.1 Å²	45.1	21%	0.207	23%	0.232	C	C	.	.	H	α-helix	trans	-64.8	-35.9	176.6	0	0	0	0	0	112.8	N763 N768 S773 D774 A775	N763-A771 HydrophobicContact CB-CB 4.17Å; N763-A771 VanDerWaalsContact OD1-CB 3.26Å; N763-A771 WeakPolarHBondContact OD1-CB 3.41Å; N768-A771 HydrophobicContact CB-CB 4.19Å; N768-A771 WeakPolarHBondContact ND2-CB 3.47Å; N768-A771 PolarHBondContact O-N 3.13Å; N768-A771 WeakPolarHBondContact OD1-CB 3.47Å; N768-A771 PolarHBondContact OD1-N 2.79Å; N768-A771 VanDerWaalsContact OD1-N 3.11Å; A771-S773 VanDerWaalsContact C-N 3.32Å; A771-S773 PolarHBondContact O-N 3.39Å; A771-D774 PolarHBondContact O-N 3.5Å; A771-A775 WeakPolarHBondContact O-CB 3.49Å; A771-A775 PolarHBondContact O-N 3.26Å
772	A	94.6	Very high	93.1	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-62.7	-40.6	173.2	0	0	0	0	0	111.5	T474 N763 L764 N768 I769 D770 A775 K776	T474-A772 HydrophobicContact CG2-CB 3.87Å; N763-A772 HydrophobicContact CB-CB 3.67Å; L764-A772 HydrophobicContact CD2-CB 4.08Å; L764-A772 HydrophobicContact CG-CB 3.96Å; N768-A772 WeakPolarHBondContact O-CB 3.31Å; N768-A772 PolarHBondContact O-N 2.85Å; I769-A772 PolarHBondContact O-N 2.81Å; D770-A772 VanDerWaalsContact C-N 3.33Å; D770-A772 PolarHBondContact O-N 3.38Å; A772-A775 PolarHBondContact O-N 2.94Å; A772-K776 VanDerWaalsContact O-CB 3.32Å; A772-K776 WeakPolarHBondContact O-CB 3.49Å; A772-K776 PolarHBondContact O-N 2.76Å
773	S	93	Very high	93.1	Very high	16 Å²	16	46 Å²	46	11%	0.112	24%	0.236	C	C	.	.	H	α-helix	trans	-66.7	-41.5	177.8	-59	0	0	0	0	111.5	T474 I769 D770 A771 K776 H777	T474-S773 WeakPolarHBondContact CB-OG 3.42Å; T474-S773 PolarHBondContact OG1-OG 3.41Å; I769-S773 WeakPolarHBondContact O-CB 3.11Å; I769-S773 PolarHBondContact O-N 2.86Å; I769-S773 PolarHBondContact O-OG 2.66Å; D770-S773 WeakPolarHBondContact O-CB 3.19Å; D770-S773 PolarHBondContact O-N 2.86Å; D770-S773 VanDerWaalsContact O-N 3.13Å; A771-S773 VanDerWaalsContact C-N 3.32Å; A771-S773 PolarHBondContact O-N 3.39Å; S773-K776 PolarHBondContact O-N 3.08Å; S773-H777 WeakPolarHBondContact O-CB 3.15Å; S773-H777 PolarHBondContact O-N 3.36Å
774	D	96.8	Very high	93	Very high	102 Å²	102	47.3 Å²	47.3	55%	0.545	24%	0.239	S	C	.	.	H	α-helix	trans	-65.7	-41.2	175.9	-73.1	-17.7	0	0	0	112.2	D770 A771 H777 R778	D770-D774 PolarHBondContact O-N 3.4Å; A771-D774 PolarHBondContact O-N 3.5Å; D774-H777 PolarHBondContact O-N 3.19Å; D774-R778 PolarHBondContact O-N 3Å
775	A	97.1	Very high	93.3	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-63.7	-45.6	175.1	0	0	0	0	0	111.8	E759 V760 A771 A772 H777 R778 L779	E759-A775 HydrophobicContact CB-CB 4.15Å; E759-A775 HydrophobicContact CG-CB 3.74Å; V760-A775 HydrophobicContact CG2-CB 3.86Å; A771-A775 WeakPolarHBondContact O-CB 3.49Å; A771-A775 PolarHBondContact O-N 3.26Å; A772-A775 PolarHBondContact O-N 2.94Å; A775-H777 VanDerWaalsContact C-N 3.34Å; A775-H777 PolarHBondContact O-N 2.83Å; A775-R778 PolarHBondContact O-N 3.34Å; A775-L779 PolarHBondContact O-N 3.09Å; A775-L779 VanDerWaalsContact O-N 3.09Å
776	K	94.7	Very high	93.6	Very high	20 Å²	20	48.8 Å²	48.8	9%	0.087	25%	0.25	C	S	.	.	H	α-helix	trans	-59.5	-45.2	174.5	177.7	171.4	178.2	-75.8	0	111	T474 L477 V760 A772 S773 R778 L779 E780	T474-K776 HydrophobicContact CG2-CD 4.39Å; L477-K776 HydrophobicContact CD1-CD 3.7Å; V760-K776 HydrophobicContact CG2-CB 4.06Å; A772-K776 VanDerWaalsContact O-CB 3.32Å; A772-K776 WeakPolarHBondContact O-CB 3.49Å; A772-K776 PolarHBondContact O-N 2.76Å; S773-K776 PolarHBondContact O-N 3.08Å; K776-R778 VanDerWaalsContact C-N 3.33Å; K776-R778 PolarHBondContact O-N 3.44Å; K776-L779 PolarHBondContact O-N 3.43Å; K776-E780 VanDerWaalsContact CE-OE1 3.31Å; K776-E780 WeakPolarHBondContact CE-OE1 3.49Å; K776-E780 HydrophobicContact CG-CG 4.43Å; K776-E780 IonicContact NZ-OE1 3.89Å; K776-E780 PolarHBondContact NZ-OE1 3.35Å; K776-E780 WeakPolarHBondContact O-CG 3.36Å; K776-E780 PolarHBondContact O-N 2.98Å
777	H	94.2	Very high	93.7	Very high	71 Å²	71	46 Å²	46	33%	0.329	24%	0.235	S	C	.	.	H	α-helix	trans	-61.4	-40.1	177.9	-174.5	73.1	0	0	0	112.3	S773 D774 A775 E780 Q781	S773-H777 WeakPolarHBondContact O-CB 3.15Å; S773-H777 PolarHBondContact O-N 3.36Å; D774-H777 PolarHBondContact O-N 3.19Å; A775-H777 VanDerWaalsContact C-N 3.34Å; A775-H777 PolarHBondContact O-N 2.83Å; H777-E780 PolarHBondContact O-N 2.89Å; H777-Q781 VanDerWaalsContact O-CB 3.29Å; H777-Q781 WeakPolarHBondContact O-CB 3.4Å; H777-Q781 PolarHBondContact O-N 3.28Å
778	R	96.9	Very high	94.1	Very high	122 Å²	122	48.9 Å²	48.9	46%	0.46	23%	0.233	S	C	.	.	H	α-helix	trans	-63.1	-41.6	175.1	-78.9	-176.3	-73.1	117.4	-8.2	112.8	E759 D774 A775 K776 Q781 R782	E759-R778 IonicContact OE1-CZ 3.22Å; E759-R778 IonicContact OE1-NH1 2.96Å; E759-R778 IonicContact OE1-NH2 3.07Å; E759-R778 PolarHBondContact OE1-NH2 3.01Å; E759-R778 IonicContact OE2-CZ 3.57Å; E759-R778 VanDerWaalsContact OE2-CZ 3.25Å; E759-R778 IonicContact OE2-NH1 3.67Å; E759-R778 PolarHBondContact OE2-NH1 3.28Å; E759-R778 IonicContact OE2-NH2 2.66Å; E759-R778 PolarHBondContact OE2-NH2 3.31Å; D774-R778 PolarHBondContact O-N 3Å; A775-R778 PolarHBondContact O-N 3.34Å; K776-R778 VanDerWaalsContact C-N 3.33Å; K776-R778 PolarHBondContact O-N 3.44Å; R778-Q781 PolarHBondContact O-N 2.9Å; R778-R782 WeakPolarHBondContact O-CB 3.44Å; R778-R782 PolarHBondContact O-N 2.96Å
779	L	95.6	Very high	94.3	Very high	28 Å²	28	51.1 Å²	51.1	15%	0.147	24%	0.241	C	C	.	.	H	α-helix	trans	-63.3	-46.7	174.6	-73.7	171.3	0	0	0	111.4	L756 W757 V760 A775 K776 Q781 R782 Q783	L756-L779 HydrophobicContact CD1-CD2 3.84Å; L756-L779 HydrophobicContact CG-CD2 4.42Å; W757-L779 HydrophobicContact CD2-CD1 4.29Å; W757-L779 HydrophobicContact CE3-CD1 3.76Å; W757-L779 HydrophobicContact CZ3-CD1 3.92Å; V760-L779 HydrophobicContact CG2-CD1 3.91Å; A775-L779 PolarHBondContact O-N 3.09Å; A775-L779 VanDerWaalsContact O-N 3.09Å; K776-L779 PolarHBondContact O-N 3.43Å; L779-Q781 VanDerWaalsContact C-N 3.34Å; L779-Q781 PolarHBondContact O-N 2.71Å; L779-R782 PolarHBondContact O-N 3.06Å; L779-Q783 WeakPolarHBondContact O-CG 3.42Å; L779-Q783 PolarHBondContact O-N 2.91Å
780	E	91.3	Very high	94.5	Very high	16 Å²	16	51.8 Å²	51.8	8%	0.075	24%	0.242	C	C	.	.	H	α-helix	trans	-62	-40.6	177.1	-69.7	178.2	171.4	0	0	111.9	K776 H777 Q783 R784	K776-E780 VanDerWaalsContact CE-OE1 3.31Å; K776-E780 WeakPolarHBondContact CE-OE1 3.49Å; K776-E780 HydrophobicContact CG-CG 4.43Å; K776-E780 IonicContact NZ-OE1 3.89Å; K776-E780 PolarHBondContact NZ-OE1 3.35Å; K776-E780 WeakPolarHBondContact O-CG 3.36Å; K776-E780 PolarHBondContact O-N 2.98Å; H777-E780 PolarHBondContact O-N 2.89Å; E780-Q783 PolarHBondContact O-N 3.06Å; E780-R784 WeakPolarHBondContact O-CG 3.16Å; E780-R784 PolarHBondContact O-N 2.91Å
781	Q	95	Very high	94.5	Very high	61 Å²	61	56.1 Å²	56.1	29%	0.285	25%	0.254	S	S	.	.	H	α-helix	trans	-66.4	-41.9	177.4	-170.4	57.5	48.9	0	0	111.5	H777 R778 L779 Q783 R784 D785	H777-Q781 VanDerWaalsContact O-CB 3.29Å; H777-Q781 WeakPolarHBondContact O-CB 3.4Å; H777-Q781 PolarHBondContact O-N 3.28Å; R778-Q781 PolarHBondContact O-N 2.9Å; L779-Q781 VanDerWaalsContact C-N 3.34Å; L779-Q781 PolarHBondContact O-N 2.71Å; Q781-Q783 VanDerWaalsContact C-N 3.26Å; Q781-Q783 PolarHBondContact O-N 3.46Å; Q781-R784 WeakPolarHBondContact O-CB 3.34Å; Q781-R784 PolarHBondContact O-N 3.46Å; Q781-D785 PolarHBondContact NE2-OD1 2.84Å; Q781-D785 PolarHBondContact O-N 2.87Å
782	R	96	Very high	94.5	Very high	116 Å²	116	60.6 Å²	60.6	44%	0.438	28%	0.275	S	S	.	.	H	α-helix	trans	-57	-41.7	173.1	-176.9	178.9	-178.4	172.7	0.1	111.4	E750 R778 L779 D785 L786	E750-R782 IonicContact OE1-CZ 2.97Å; E750-R782 IonicContact OE1-NH1 3.41Å; E750-R782 PolarHBondContact OE1-NH1 3.02Å; E750-R782 IonicContact OE1-NH2 2.89Å; E750-R782 PolarHBondContact OE1-NH2 3.43Å; E750-R782 IonicContact OE2-NH2 3.81Å; R778-R782 WeakPolarHBondContact O-CB 3.44Å; R778-R782 PolarHBondContact O-N 2.96Å; L779-R782 PolarHBondContact O-N 3.06Å; R782-D785 PolarHBondContact O-N 3.23Å; R782-L786 HydrophobicContact CG-CD1 4.19Å; R782-L786 VanDerWaalsContact O-CG 3.31Å; R782-L786 WeakPolarHBondContact O-CG 3.23Å; R782-L786 PolarHBondContact O-N 3.06Å
783	Q	93.2	Very high	94.5	Very high	14 Å²	14	64.3 Å²	64.3	7%	0.065	30%	0.3	C	S	.	.	H	α-helix	trans	-65.2	-41.6	177.4	-70.3	-64.1	-39.8	0	0	112.6	Y353 T536 L779 E780 Q781 D785 L786 A787	Y353-Q783 HydrophobicContact CD1-CB 4.4Å; Y353-Q783 HydrophobicContact CD2-CB 3.75Å; Y353-Q783 HydrophobicContact CE1-CB 4.06Å; Y353-Q783 HydrophobicContact CE1-CG 4.44Å; Y353-Q783 HydrophobicContact CE2-CB 3.37Å; Y353-Q783 HydrophobicContact CG-CB 4.28Å; T536-Q783 VanDerWaalsContact CB-CD 3.48Å; T536-Q783 HydrophobicContact CG2-CG 3.76Å; T536-Q783 PolarHBondContact OG1-NE2 3.31Å; L779-Q783 WeakPolarHBondContact O-CG 3.42Å; L779-Q783 PolarHBondContact O-N 2.91Å; E780-Q783 PolarHBondContact O-N 3.06Å; Q781-Q783 VanDerWaalsContact C-N 3.26Å; Q781-Q783 PolarHBondContact O-N 3.46Å; Q783-D785 VanDerWaalsContact C-N 3.3Å; Q783-D785 PolarHBondContact O-N 2.92Å; Q783-L786 PolarHBondContact O-N 3.49Å; Q783-A787 WeakPolarHBondContact O-CB 3.37Å; Q783-A787 PolarHBondContact O-N 3.12Å
784	R	92.9	Very high	94.5	Very high	44 Å²	44	72.8 Å²	72.8	17%	0.166	34%	0.335	C	S	.	.	H	α-helix	trans	-60.5	-40.6	172.4	-67.2	173.9	-174.6	147.2	2.5	111.9	R351 Y353 E780 Q781 A787 R788	R351-R784 PolarHBondContact O-NH2 2.91Å; Y353-R784 HydrophobicContact CD2-CG 4.08Å; Y353-R784 HydrophobicContact CE2-CG 4.41Å; E780-R784 WeakPolarHBondContact O-CG 3.16Å; E780-R784 PolarHBondContact O-N 2.91Å; Q781-R784 WeakPolarHBondContact O-CB 3.34Å; Q781-R784 PolarHBondContact O-N 3.46Å; R784-A787 PolarHBondContact O-N 2.79Å; R784-R788 WeakPolarHBondContact O-CG 3.31Å; R784-R788 PolarHBondContact O-N 3.25Å; R784-R788 PolarHBondContact O-NH1 2.94Å
785	D	96.3	Very high	94.1	Very high	52 Å²	52	73 Å²	73	28%	0.278	33%	0.333	S	S	.	.	H	α-helix	trans	-68.2	-42.1	-179.2	-62.2	-6.2	0	0	0	111.2	Q781 R782 Q783 R788 Q789	Q781-D785 PolarHBondContact NE2-OD1 2.84Å; Q781-D785 PolarHBondContact O-N 2.87Å; R782-D785 PolarHBondContact O-N 3.23Å; Q783-D785 VanDerWaalsContact C-N 3.3Å; Q783-D785 PolarHBondContact O-N 2.92Å; D785-R788 PolarHBondContact O-N 3.36Å; D785-R788 IonicContact OD1-CZ 2.86Å; D785-R788 IonicContact OD1-NH1 2.7Å; D785-R788 PolarHBondContact OD1-NH1 3.04Å; D785-R788 IonicContact OD1-NH2 3.19Å; D785-R788 PolarHBondContact OD1-NH2 2.78Å; D785-Q789 WeakPolarHBondContact O-CG 3.4Å; D785-Q789 PolarHBondContact O-N 3.33Å
786	L	94.2	Very high	93.7	Very high	56 Å²	56	78.5 Å²	78.5	29%	0.293	37%	0.366	S	S	.	.	H	α-helix	trans	-64.6	-38.6	173.8	-70.1	172.1	0	0	0	112.1	R782 Q783 Q789 R790	R782-L786 HydrophobicContact CG-CD1 4.19Å; R782-L786 VanDerWaalsContact O-CG 3.31Å; R782-L786 WeakPolarHBondContact O-CG 3.23Å; R782-L786 PolarHBondContact O-N 3.06Å; Q783-L786 PolarHBondContact O-N 3.49Å; L786-Q789 PolarHBondContact O-N 3.21Å; L786-R790 WeakPolarHBondContact O-CG 3.3Å; L786-R790 PolarHBondContact O-N 3.43Å
787	A	92	Very high	93.5	Very high	21 Å²	21	81.6 Å²	81.6	17%	0.174	38%	0.377	C	S	.	.	H	α-helix	trans	-62	-44.4	173.8	0	0	0	0	0	111.8	Q783 R784 R790 R791	Q783-A787 WeakPolarHBondContact O-CB 3.37Å; Q783-A787 PolarHBondContact O-N 3.12Å; R784-A787 PolarHBondContact O-N 2.79Å; A787-R790 PolarHBondContact O-N 3.01Å; A787-R791 PolarHBondContact O-N 2.88Å
788	R	94.7	Very high	93.5	Very high	104 Å²	104	82.2 Å²	82.2	39%	0.392	39%	0.387	S	S	.	.	H	α-helix	trans	-61.6	-44.7	174.3	-69.2	-165.9	-52.1	-82.2	8	112	R784 D785 R790 R791 D792	R784-R788 WeakPolarHBondContact O-CG 3.31Å; R784-R788 PolarHBondContact O-N 3.25Å; R784-R788 PolarHBondContact O-NH1 2.94Å; D785-R788 PolarHBondContact O-N 3.36Å; D785-R788 IonicContact OD1-CZ 2.86Å; D785-R788 IonicContact OD1-NH1 2.7Å; D785-R788 PolarHBondContact OD1-NH1 3.04Å; D785-R788 IonicContact OD1-NH2 3.19Å; D785-R788 PolarHBondContact OD1-NH2 2.78Å; R788-R790 VanDerWaalsContact C-N 3.33Å; R788-R790 PolarHBondContact O-N 3.36Å; R788-R791 PolarHBondContact O-N 2.92Å; R788-D792 WeakPolarHBondContact O-CB 3.46Å; R788-D792 PolarHBondContact O-N 3.43Å
789	Q	95.2	Very high	93.5	Very high	119 Å²	119	77 Å²	77	56%	0.556	37%	0.368	S	S	*	.	H	α-helix	trans	-59.6	-42	176.7	-71.6	171.1	25.9	0	0	112.5	D785 L786 D792 S793	D785-Q789 WeakPolarHBondContact O-CG 3.4Å; D785-Q789 PolarHBondContact O-N 3.33Å; L786-Q789 PolarHBondContact O-N 3.21Å; Q789-D792 PolarHBondContact O-N 3.31Å; Q789-S793 WeakPolarHBondContact O-CB 3.33Å; Q789-S793 PolarHBondContact O-N 3.42Å; Q789-S793 PolarHBondContact O-OG 2.95Å
790	R	93.9	Very high	93.6	Very high	36 Å²	36	82 Å²	82	14%	0.136	39%	0.391	C	S	.	.	H	α-helix	trans	-62.4	-44.9	175.1	-79.6	-173.9	-66.6	-120.8	-0.9	112.1	L786 A787 R788 S793 K794 H795 W797	L786-R790 WeakPolarHBondContact O-CG 3.3Å; L786-R790 PolarHBondContact O-N 3.43Å; A787-R790 PolarHBondContact O-N 3.01Å; R788-R790 VanDerWaalsContact C-N 3.33Å; R788-R790 PolarHBondContact O-N 3.36Å; R790-S793 WeakPolarHBondContact CA-OG 3.45Å; R790-S793 CarbonylContact O-C 3.55Å; R790-S793 PolarHBondContact O-N 2.76Å; R790-S793 PolarHBondContact O-OG 3.1Å; R790-S793 VanDerWaalsContact O-OG 3.12Å; R790-K794 PolarHBondContact O-N 3.15Å; R790-H795 WeakPolarHBondContact CB-O 3.19Å; R790-H795 PolarHBondContact O-N 2.79Å; R790-W797 VanDerWaalsContact NH1-CE3 3.27Å
791	R	92.1	Very high	94	Very high	155 Å²	155	83.3 Å²	83.3	59%	0.585	40%	0.396	S	S	*	.	H	α-helix	trans	-61.3	-48.3	176	-174.5	-175.6	65.5	-174.8	2.1	111.9	A787 R788 S793 K794	A787-R791 PolarHBondContact O-N 2.88Å; R788-R791 PolarHBondContact O-N 2.92Å; R791-S793 VanDerWaalsContact C-N 3.26Å; R791-S793 PolarHBondContact O-N 2.92Å; R791-K794 PolarHBondContact O-N 2.9Å
792	D	95.4	Very high	94.1	Very high	120 Å²	120	80.4 Å²	80.4	64%	0.642	38%	0.382	S	S	*	.	H	α-helix	trans	-66.7	-31.1	-177.7	-62	-11.2	0	0	0	111.6	R788 Q789	R788-D792 WeakPolarHBondContact O-CB 3.46Å; R788-D792 PolarHBondContact O-N 3.43Å; Q789-D792 PolarHBondContact O-N 3.31Å
793	S	94.7	Very high	94.2	Very high	78 Å²	78	77.9 Å²	77.9	55%	0.545	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-1.1	173.4	58.6	0	0	0	0	114.4	Q789 R790 R791 H795	Q789-S793 WeakPolarHBondContact O-CB 3.33Å; Q789-S793 PolarHBondContact O-N 3.42Å; Q789-S793 PolarHBondContact O-OG 2.95Å; R790-S793 WeakPolarHBondContact CA-OG 3.45Å; R790-S793 CarbonylContact O-C 3.55Å; R790-S793 PolarHBondContact O-N 2.76Å; R790-S793 PolarHBondContact O-OG 3.1Å; R790-S793 VanDerWaalsContact O-OG 3.12Å; R791-S793 VanDerWaalsContact C-N 3.26Å; R791-S793 PolarHBondContact O-N 2.92Å; S793-H795 PolarHBondContact O-N 2.87Å
794	K	92.3	Very high	94.2	Very high	193 Å²	193	79.5 Å²	79.5	84%	0.839	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.7	34	-172.8	-58.4	-175.8	178.1	-174.6	0	113.3	R790 R791	R790-K794 PolarHBondContact O-N 3.15Å; R791-K794 PolarHBondContact O-N 2.9Å
795	H	88.6	Confident	94.1	Very high	108 Å²	108	81.5 Å²	81.5	50%	0.5	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-99.6	119.3	179.5	-177.7	71.2	0	0	0	110.5	R790 S793	R790-H795 WeakPolarHBondContact CB-O 3.19Å; R790-H795 PolarHBondContact O-N 2.79Å; S793-H795 PolarHBondContact O-N 2.87Å
796	T	88.5	Confident	93.8	Very high	114 Å²	114	82.9 Å²	82.9	70%	0.699	43%	0.431	S	S	*	.	P	Polyproline II helix	trans	-81.9	135.2	173.3	-53.9	0	0	0	0	110	T798	T796-T798 PolarHBondContact O-N 2.68Å
797	W	91.2	Very high	93.4	Very high	85 Å²	85	87.2 Å²	87.2	32%	0.322	45%	0.454	S	S	.	.	P	Polyproline II helix	trans	-59.3	129.2	173.8	178.9	-98.6	0	0	0	110.6	L537 R790	L537-W797 HydrophobicContact CD1-CG 4.16Å; L537-W797 HydrophobicContact CD2-CB 3.71Å; L537-W797 HydrophobicContact CD2-CD2 3.94Å; L537-W797 HydrophobicContact CD2-CG 3.55Å; L537-W797 HydrophobicContact CG-CB 4.49Å; L537-W797 HydrophobicContact CG-CD2 3.93Å; L537-W797 HydrophobicContact CG-CG 3.8Å; R790-W797 VanDerWaalsContact NH1-CE3 3.27Å
798	T	94.5	Very high	93.3	Very high	85 Å²	85	89.8 Å²	89.8	52%	0.521	47%	0.465	S	S	.	.			trans	-114.4	118.6	172.4	-58.9	0	0	0	0	107.8	T796	T796-T798 PolarHBondContact O-N 2.68Å
799	P	96.9	Very high	93.4	Very high	11 Å²	11	87.1 Å²	87.1	7%	0.071	46%	0.455	C	S	.	.			trans	-59.5	140.8	176.8	-27.6	38.3	0	0	0	112.2	E585 V587 W809 R812	E585-P799 VanDerWaalsContact OE1-CA 3.27Å; E585-P799 WeakPolarHBondContact OE1-CA 3.45Å; E585-P799 WeakPolarHBondContact OE1-CB 3.44Å; V587-P799 HydrophobicContact CB-CB 4.13Å; V587-P799 HydrophobicContact CB-CG 3.72Å; V587-P799 HydrophobicContact CG1-CB 3.89Å; V587-P799 HydrophobicContact CG1-CG 4.07Å; V587-P799 WeakPolarHBondContact O-CG 3.4Å; P799-W809 HydrophobicContact CB-CZ3 4.44Å; P799-W809 HydrophobicContact CG-CH2 4.09Å; P799-W809 HydrophobicContact CG-CZ3 3.71Å; P799-R812 PolarHBondContact O-NH2 2.73Å
800	E	97.5	Very high	93.4	Very high	134 Å²	134	83.3 Å²	83.3	63%	0.626	44%	0.438	S	S	*	.	S	Bend	trans	-75	-47.3	-172.2	-176.6	65.3	-164.3	0	0	110.4	E585 R812	E585-E800 PolarHBondContact OE1-N 3.11Å; E585-E800 PolarHBondContact OE2-N 3.02Å; E800-R812 WeakPolarHBondContact O-CD 3.35Å; E800-R812 PolarHBondContact O-NE 3.32Å
801	Y	98.3	Very high	93.6	Very high	44 Å²	44	82 Å²	82	17%	0.173	43%	0.433	C	S	.	.	S	Bend	trans	-102.1	-19.8	-169.1	-62.5	-82.1	0	0	0	113.8	I540 L583 E585 E749 Y811 R812	I540-Y801 HydrophobicContact CD1-CE2 4.04Å; I540-Y801 HydrophobicContact CG2-CD2 3.96Å; I540-Y801 HydrophobicContact CG2-CE2 3.81Å; L583-Y801 HydrophobicContact CD1-CD2 4.49Å; L583-Y801 HydrophobicContact CD2-CD1 3.73Å; L583-Y801 HydrophobicContact CD2-CD2 4.46Å; L583-Y801 HydrophobicContact CD2-CE1 4.44Å; L583-Y801 HydrophobicContact CD2-CG 3.72Å; E585-Y801 WeakPolarHBondContact OE2-CB 3.24Å; E585-Y801 PolarHBondContact OE2-N 2.84Å; E749-Y801 PolarHBondContact OE2-OH 2.83Å; Y801-Y811 HydrophobicContact CD1-CE2 4.43Å; Y801-Y811 VanDerWaalsContact O-CD2 3.24Å; Y801-Y811 WeakPolarHBondContact O-CD2 3.32Å; Y801-R812 WeakPolarHBondContact O-CB 3.39Å; Y801-R812 WeakPolarHBondContact O-CG 3.32Å; Y801-R812 PolarHBondContact O-N 3.17Å
802	F	98.5	Very high	93.9	Very high	0 Å²	0	78.5 Å²	78.5	0%	0	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	153.5	-177.2	-64.5	-94.2	0	0	0	111.9	L583 E585 V587 A595 W809 I810 R812	L583-F802 HydrophobicContact CD2-CE2 4.4Å; L583-F802 HydrophobicContact CG-CE2 4.31Å; E585-F802 HydrophobicContact CB-CD2 3.67Å; E585-F802 HydrophobicContact CB-CE2 3.73Å; E585-F802 WeakPolarHBondContact OE2-CD2 3.38Å; V587-F802 HydrophobicContact CG1-CB 3.93Å; V587-F802 HydrophobicContact CG1-CD2 4.21Å; V587-F802 HydrophobicContact CG1-CG 4.28Å; A595-F802 HydrophobicContact CB-CB 4.21Å; A595-F802 HydrophobicContact CB-CD1 3.56Å; A595-F802 HydrophobicContact CB-CD2 3.96Å; A595-F802 HydrophobicContact CB-CE1 3.84Å; A595-F802 HydrophobicContact CB-CE2 4.23Å; A595-F802 HydrophobicContact CB-CG 3.63Å; A595-F802 HydrophobicContact CB-CZ 4.18Å; F802-W809 HydrophobicContact CB-CE3 4.18Å; F802-I810 WeakPolarHBondContact CA-O 3.48Å; F802-R812 PolarHBondContact O-NE 3.14Å; F802-R812 PolarHBondContact O-NH2 3.32Å
803	R	96.6	Very high	94	Very high	62 Å²	62	77.5 Å²	77.5	23%	0.234	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	143.8	169.9	66.7	-178.3	-171.8	-82.9	-12.3	109.9	E805 W809 I810 Y811 R812	R803-E805 IonicContact CZ-OE1 3.79Å; R803-E805 IonicContact NE-OE1 3.59Å; R803-E805 PolarHBondContact NE-OE1 2.89Å; R803-E805 IonicContact NH2-OE1 3.81Å; R803-E805 PolarHBondContact NH2-OE1 3.45Å; R803-W809 WeakPolarHBondContact O-CA 2.89Å; R803-I810 PolarHBondContact N-O 3.4Å; R803-I810 PolarHBondContact O-N 2.89Å; R803-Y811 PolarHBondContact NH1-O 2.89Å; R803-Y811 VanDerWaalsContact NH1-O 3.15Å; R803-R812 HydrophobicContact CB-CG 4.49Å
804	G	93.7	Very high	94.1	Very high	48 Å²	48	74.2 Å²	74.2	50%	0.495	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	133	172.5	0	0	0	0	0	110.9	N808	G804-N808 CarbonylContact C-O 3.59Å; G804-N808 WeakPolarHBondContact CA-O 3.47Å
805	E	90.9	Very high	94.3	Very high	86 Å²	86	65 Å²	65	40%	0.402	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	101.3	171.6	-76.7	-172.1	-158.7	0	0	109.3	R803 D807 N808 I810	R803-E805 IonicContact CZ-OE1 3.79Å; R803-E805 IonicContact NE-OE1 3.59Å; R803-E805 PolarHBondContact NE-OE1 2.89Å; R803-E805 IonicContact NH2-OE1 3.81Å; R803-E805 PolarHBondContact NH2-OE1 3.45Å; E805-D807 PolarHBondContact O-N 2.97Å; E805-N808 PolarHBondContact N-O 3.15Å; E805-N808 WeakPolarHBondContact O-CB 3.5Å; E805-N808 PolarHBondContact O-N 2.92Å; E805-I810 HydrophobicContact CB-CD1 4.07Å; E805-I810 HydrophobicContact CB-CG1 4.42Å; E805-I810 VanDerWaalsContact CD-CD1 3.49Å; E805-I810 HydrophobicContact CG-CD1 4.17Å; E805-I810 WeakPolarHBondContact OE2-CD1 3.28Å
806	G	89.6	Confident	94.7	Very high	81 Å²	81	63.7 Å²	63.7	84%	0.835	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.1	-127.9	-167.2	0	0	0	0	0	110.2	N808	G806-N808 VanDerWaalsContact C-N 3.3Å
807	D	85.9	Confident	95	Very high	148 Å²	148	62 Å²	62	79%	0.791	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	0.6	175.8	-61.4	-37.1	0	0	0	113.3	E805	E805-D807 PolarHBondContact O-N 2.97Å
808	N	90.9	Very high	95.2	Very high	75 Å²	75	58.6 Å²	58.6	40%	0.401	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	160.3	-176.5	-61.1	-58.2	0	0	0	112.4	H610 G804 E805 G806	H610-N808 PolarHBondContact CE1-OD1 2.77Å; H610-N808 VanDerWaalsContact CE1-OD1 3.3Å; G804-N808 CarbonylContact C-O 3.59Å; G804-N808 WeakPolarHBondContact CA-O 3.47Å; E805-N808 PolarHBondContact N-O 3.15Å; E805-N808 WeakPolarHBondContact O-CB 3.5Å; E805-N808 PolarHBondContact O-N 2.92Å; G806-N808 VanDerWaalsContact C-N 3.3Å
809	W	96	Very high	95.1	Very high	47 Å²	47	57.4 Å²	57.4	18%	0.178	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	120.9	172	-67.1	87	0	0	0	109.5	V587 A595 H610 P799 F802 R803	V587-W809 HydrophobicContact CB-CD2 4.09Å; V587-W809 HydrophobicContact CB-CE3 3.9Å; V587-W809 HydrophobicContact CB-CH2 4.03Å; V587-W809 HydrophobicContact CB-CZ2 4.22Å; V587-W809 HydrophobicContact CB-CZ3 3.89Å; V587-W809 HydrophobicContact CG1-CD2 4.44Å; V587-W809 HydrophobicContact CG1-CE3 4.09Å; V587-W809 HydrophobicContact CG1-CZ3 4.39Å; V587-W809 HydrophobicContact CG2-CD2 3.58Å; V587-W809 HydrophobicContact CG2-CE3 3.94Å; V587-W809 HydrophobicContact CG2-CG 4.04Å; V587-W809 HydrophobicContact CG2-CH2 4.15Å; V587-W809 HydrophobicContact CG2-CZ2 3.82Å; V587-W809 HydrophobicContact CG2-CZ3 4.22Å; A595-W809 HydrophobicContact CB-CB 3.62Å; A595-W809 HydrophobicContact CB-CG 4.17Å; H610-W809 HydrophobicContact CB-CB 4.21Å; H610-W809 HydrophobicContact CB-CG 4.35Å; P799-W809 HydrophobicContact CB-CZ3 4.44Å; P799-W809 HydrophobicContact CG-CH2 4.09Å; P799-W809 HydrophobicContact CG-CZ3 3.71Å; F802-W809 HydrophobicContact CB-CE3 4.18Å; R803-W809 WeakPolarHBondContact O-CA 2.89Å
810	I	96.3	Very high	94.5	Very high	40 Å²	40	64 Å²	64	21%	0.205	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	137	-175.1	-50.7	-171.8	0	0	0	108.9	F802 R803 E805 R812	F802-I810 WeakPolarHBondContact CA-O 3.48Å; R803-I810 PolarHBondContact N-O 3.4Å; R803-I810 PolarHBondContact O-N 2.89Å; E805-I810 HydrophobicContact CB-CD1 4.07Å; E805-I810 HydrophobicContact CB-CG1 4.42Å; E805-I810 VanDerWaalsContact CD-CD1 3.49Å; E805-I810 HydrophobicContact CG-CD1 4.17Å; E805-I810 WeakPolarHBondContact OE2-CD1 3.28Å; I810-R812 PolarHBondContact O-N 2.83Å
811	Y	98.3	Very high	93.5	Very high	8 Å²	8	62.6 Å²	62.6	3%	0.031	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58	139.4	172.3	-179.4	-130	0	0	0	110.5	P571 L583 Y597 D608 Y801 R803 H813 P814	P571-Y811 HydrophobicContact CB-CE1 4.43Å; L583-Y811 HydrophobicContact CD2-CD2 4.19Å; L583-Y811 HydrophobicContact CD2-CE2 3.74Å; Y597-Y811 AromaticContact CD1-CD1 3.58Å; Y597-Y811 HydrophobicContact CD1-CD1 3.58Å; Y597-Y811 HydrophobicContact CD1-CE1 4.08Å; Y597-Y811 AromaticContact CD1-CG 3.91Å; Y597-Y811 HydrophobicContact CD1-CG 3.91Å; Y597-Y811 HydrophobicContact CD2-CD1 4.14Å; Y597-Y811 HydrophobicContact CD2-CG 4.15Å; Y597-Y811 AromaticContact CE1-CD1 3.56Å; Y597-Y811 HydrophobicContact CE1-CD1 3.56Å; Y597-Y811 AromaticContact CE1-CE1 3.95Å; Y597-Y811 HydrophobicContact CE1-CE1 3.95Å; Y597-Y811 HydrophobicContact CE1-CG 4.33Å; Y597-Y811 HydrophobicContact CE2-CD1 4.12Å; Y597-Y811 AromaticContact CG-CD1 3.87Å; Y597-Y811 HydrophobicContact CG-CD1 3.87Å; Y597-Y811 AromaticContact CG-CG 3.8Å; Y597-Y811 HydrophobicContact CG-CG 3.8Å; Y597-Y811 AromaticContact CZ-CD1 3.84Å; D608-Y811 PolarHBondContact OD1-N 2.85Å; Y801-Y811 HydrophobicContact CD1-CE2 4.43Å; Y801-Y811 VanDerWaalsContact O-CD2 3.24Å; Y801-Y811 WeakPolarHBondContact O-CD2 3.32Å; R803-Y811 PolarHBondContact NH1-O 2.89Å; R803-Y811 VanDerWaalsContact NH1-O 3.15Å; Y811-H813 VanDerWaalsContact C-N 3.26Å; Y811-H813 HydrophobicContact CD1-CB 4.43Å; Y811-H813 WeakPolarHBondContact CD1-O 3.31Å; Y811-H813 HydrophobicContact CE1-CB 3.78Å; Y811-H813 WeakPolarHBondContact CE1-O 3.13Å; Y811-H813 PolarHBondContact O-N 3.41Å; Y811-P814 WeakPolarHBondContact O-CD 3.32Å
812	R	97.7	Very high	91.8	Very high	82 Å²	82	63.8 Å²	63.8	31%	0.309	34%	0.342	S	S	.	.	S	Bend	trans	-66.4	-27.5	-176.4	-76.1	-179.7	-171.8	-82.6	-0.1	113.4	P799 E800 Y801 F802 R803 I810 P814	P799-R812 PolarHBondContact O-NH2 2.73Å; E800-R812 WeakPolarHBondContact O-CD 3.35Å; E800-R812 PolarHBondContact O-NE 3.32Å; Y801-R812 WeakPolarHBondContact O-CB 3.39Å; Y801-R812 WeakPolarHBondContact O-CG 3.32Å; Y801-R812 PolarHBondContact O-N 3.17Å; F802-R812 PolarHBondContact O-NE 3.14Å; F802-R812 PolarHBondContact O-NH2 3.32Å; R803-R812 HydrophobicContact CB-CG 4.49Å; I810-R812 PolarHBondContact O-N 2.83Å; R812-P814 VanDerWaalsContact C-CD 3.46Å; R812-P814 WeakPolarHBondContact O-CD 3.3Å
813	H	96.6	Very high	89.8	Confident	98 Å²	98	70.1 Å²	70.1	45%	0.454	38%	0.382	S	S	.	.	S	Bend	trans	-127.2	56.4	-175.1	-54.8	-53.9	0	0	0	112.4	Y811 R818	Y811-H813 VanDerWaalsContact C-N 3.26Å; Y811-H813 HydrophobicContact CD1-CB 4.43Å; Y811-H813 WeakPolarHBondContact CD1-O 3.31Å; Y811-H813 HydrophobicContact CE1-CB 3.78Å; Y811-H813 WeakPolarHBondContact CE1-O 3.13Å; Y811-H813 PolarHBondContact O-N 3.41Å; H813-R818 WeakPolarHBondContact O-CD 3.44Å; H813-R818 PolarHBondContact O-NE 3.36Å
814	P	97	Very high	87.5	Confident	9 Å²	9	74 Å²	74	6%	0.058	41%	0.408	C	S	.	.			trans	-64.3	151.2	-173.9	32.5	-34.7	0	0	0	110.6	Y597 Y811 R812 I816 Q817 R818	Y597-P814 HydrophobicContact CE2-CB 4.37Å; Y811-P814 WeakPolarHBondContact O-CD 3.32Å; R812-P814 VanDerWaalsContact C-CD 3.46Å; R812-P814 WeakPolarHBondContact O-CD 3.3Å; P814-I816 HydrophobicContact CB-CG2 4.31Å; P814-I816 HydrophobicContact CG-CG2 4.2Å; P814-I816 PolarHBondContact O-N 3.14Å; P814-I816 VanDerWaalsContact O-N 3.14Å; P814-Q817 HydrophobicContact CG-CB 4.19Å; P814-Q817 HydrophobicContact CG-CG 3.77Å; P814-Q817 PolarHBondContact O-N 2.92Å; P814-R818 PolarHBondContact O-N 2.81Å
815	L	98	Very high	85.1	Confident	0 Å²	0	78.8 Å²	78.8	0%	0	42%	0.417	C	S	.	.	H	α-helix	trans	-53.3	-38.9	-175.5	179.7	59	0	0	0	112.8	L566 Y597 E599 V601 L635 Q817 R818 L819	L566-L815 HydrophobicContact CD1-CD1 4.29Å; L566-L815 HydrophobicContact CD2-CD1 4.16Å; L566-L815 HydrophobicContact CG-CD1 4.26Å; Y597-L815 WeakPolarHBondContact OH-CB 3.08Å; Y597-L815 PolarHBondContact OH-N 3.47Å; E599-L815 HydrophobicContact CB-CD2 4.45Å; V601-L815 HydrophobicContact CG1-CD1 4.46Å; V601-L815 HydrophobicContact CG2-CD1 4.13Å; L635-L815 HydrophobicContact CD1-CB 4.03Å; L635-L815 HydrophobicContact CD1-CD2 3.87Å; L635-L815 HydrophobicContact CD1-CG 3.77Å; L815-Q817 VanDerWaalsContact C-N 3.28Å; L815-Q817 PolarHBondContact O-N 3.31Å; L815-R818 PolarHBondContact O-N 2.89Å; L815-R818 VanDerWaalsContact O-N 3.16Å; L815-L819 HydrophobicContact CD1-CD1 4.22Å; L815-L819 HydrophobicContact CD1-CG 4.07Å; L815-L819 HydrophobicContact CG-CD1 3.9Å; L815-L819 HydrophobicContact CG-CG 4.27Å; L815-L819 WeakPolarHBondContact O-CB 3.25Å; L815-L819 WeakPolarHBondContact O-CG 3.4Å; L815-L819 PolarHBondContact O-N 2.96Å
816	I	95.9	Very high	82.5	Confident	80 Å²	80	81.7 Å²	81.7	41%	0.41	44%	0.436	S	S	.	.	H	α-helix	trans	-59.5	-35.7	178	-167.8	168	0	0	0	113.1	L635 P814 H820	L635-I816 HydrophobicContact CD1-CB 4.1Å; L635-I816 HydrophobicContact CD2-CB 4.02Å; L635-I816 HydrophobicContact CD2-CD1 4.23Å; L635-I816 HydrophobicContact CD2-CG1 4.42Å; P814-I816 HydrophobicContact CB-CG2 4.31Å; P814-I816 HydrophobicContact CG-CG2 4.2Å; P814-I816 PolarHBondContact O-N 3.14Å; P814-I816 VanDerWaalsContact O-N 3.14Å; I816-H820 PolarHBondContact O-ND1 2.92Å
817	Q	94.9	Very high	80	Confident	79 Å²	79	85.3 Å²	85.3	37%	0.369	43%	0.434	S	S	.	.	H	α-helix	trans	-73.2	-43.2	176.4	-71.8	178.6	10.9	0	0	110.6	P814 L815 L819 H820 Q821	P814-Q817 HydrophobicContact CG-CB 4.19Å; P814-Q817 HydrophobicContact CG-CG 3.77Å; P814-Q817 PolarHBondContact O-N 2.92Å; L815-Q817 VanDerWaalsContact C-N 3.28Å; L815-Q817 PolarHBondContact O-N 3.31Å; Q817-L819 VanDerWaalsContact C-N 3.31Å; Q817-L819 PolarHBondContact O-N 2.86Å; Q817-H820 PolarHBondContact O-N 2.83Å; Q817-Q821 WeakPolarHBondContact O-CG 3.45Å; Q817-Q821 PolarHBondContact O-N 2.55Å; Q817-Q821 VanDerWaalsContact O-N 3.15Å
818	R	95.1	Very high	77.4	Confident	13 Å²	13	82.7 Å²	82.7	5%	0.049	43%	0.427	C	S	.	.	H	α-helix	trans	-68.2	-28.9	-178.4	-64.1	-176.9	-65.2	104.7	5.3	112.9	L566 S569 E599 H813 P814 L815	L566-R818 HydrophobicContact CD1-CB 3.61Å; L566-R818 PolarHBondContact O-NH1 3.08Å; S569-R818 WeakPolarHBondContact O-CD 3.4Å; S569-R818 PolarHBondContact OG-NH1 3.11Å; E599-R818 IonicContact OE1-CZ 2.63Å; E599-R818 IonicContact OE1-NH1 2.73Å; E599-R818 IonicContact OE1-NH2 2.77Å; E599-R818 PolarHBondContact OE1-NH2 3.43Å; E599-R818 IonicContact OE2-CZ 3.1Å; E599-R818 IonicContact OE2-NH2 3.32Å; E599-R818 PolarHBondContact OE2-NH2 2.88Å; H813-R818 WeakPolarHBondContact O-CD 3.44Å; H813-R818 PolarHBondContact O-NE 3.36Å; P814-R818 PolarHBondContact O-N 2.81Å; L815-R818 PolarHBondContact O-N 2.89Å; L815-R818 VanDerWaalsContact O-N 3.16Å
819	L	92.2	Very high	74.5	Confident	60 Å²	60	84 Å²	84	31%	0.314	44%	0.443	S	S	.	.	H	α-helix	trans	-67.8	-31.8	172.1	-78.3	167.3	0	0	0	113.5	L566 Q604 L635 L815 Q817	L566-L819 HydrophobicContact CD2-CD2 3.48Å; L566-L819 VanDerWaalsContact CD2-CD2 3.48Å; L566-L819 HydrophobicContact CD2-CG 4.18Å; Q604-L819 HydrophobicContact CG-CD1 4.25Å; L635-L819 HydrophobicContact CD1-CD1 3.77Å; L815-L819 HydrophobicContact CD1-CD1 4.22Å; L815-L819 HydrophobicContact CD1-CG 4.07Å; L815-L819 HydrophobicContact CG-CD1 3.9Å; L815-L819 HydrophobicContact CG-CG 4.27Å; L815-L819 WeakPolarHBondContact O-CB 3.25Å; L815-L819 WeakPolarHBondContact O-CG 3.4Å; L815-L819 PolarHBondContact O-N 2.96Å; Q817-L819 VanDerWaalsContact C-N 3.31Å; Q817-L819 PolarHBondContact O-N 2.86Å
820	H	85.5	Confident	71.2	Confident	150 Å²	150	87.8 Å²	87.8	69%	0.694	47%	0.471	S	S	*	.	H	α-helix	trans	-94.1	-4.9	-179.4	-63.4	133.3	0	0	0	114	I816 Q817	I816-H820 PolarHBondContact O-ND1 2.92Å; Q817-H820 PolarHBondContact O-N 2.83Å
821	Q	76.6	Confident	67.8	Low	104 Å²	104	93 Å²	93	49%	0.486	49%	0.494	S	S	.	.	S	Bend	trans	-66.2	127.5	178	-83	173.8	16.5	0	0	110.5	Q817	Q817-Q821 WeakPolarHBondContact O-CG 3.45Å; Q817-Q821 PolarHBondContact O-N 2.55Å; Q817-Q821 VanDerWaalsContact O-N 3.15Å
822	P	62.5	Low	64.4	Low	70 Å²	70	98.7 Å²	98.7	46%	0.455	53%	0.532	S	S	.	.			trans	-64.4	141.7	174.4	24.7	-31	0	0	0	109.8	N824 Q825	P822-N824 PolarHBondContact O-N 3.38Å; P822-Q825 HydrophobicContact CG-CG 4.2Å; P822-Q825 PolarHBondContact O-N 3.03Å
823	P	56.1	Low	61.1	Low	132 Å²	132	102.3 Å²	102.3	86%	0.857	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.6	-2.1	-171.7	20.1	-31.2	0	0	0	116.2
824	N	48.5	Very low	57.7	Low	145 Å²	145	103.4 Å²	103.4	78%	0.775	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.7	8.8	-173.4	-87.5	-7.4	0	0	0	115.6	P822 N826	P822-N824 PolarHBondContact O-N 3.38Å; N824-N826 VanDerWaalsContact C-N 3.3Å; N824-N826 PolarHBondContact O-N 3.37Å; N824-N826 VanDerWaalsContact O-N 3.09Å
825	Q	43	Very low	54.3	Low	148 Å²	148	111.1 Å²	111.1	69%	0.692	61%	0.606	S	S	*	*			trans	-85.1	78.6	169.3	-74.8	-173.4	3.2	0	0	110.3	P822 I827	P822-Q825 HydrophobicContact CG-CG 4.2Å; P822-Q825 PolarHBondContact O-N 3.03Å; Q825-I827 PolarHBondContact O-N 3.41Å; Q825-I827 VanDerWaalsContact O-N 3.12Å
826	N	36.8	Very low	50.7	Low	147 Å²	147	115.1 Å²	115.1	79%	0.786	63%	0.633	S	S	*	*			trans	-63.7	105.8	162.5	-74.3	-28.4	0	0	0	108.2	N824 S828	N824-N826 VanDerWaalsContact C-N 3.3Å; N824-N826 PolarHBondContact O-N 3.37Å; N824-N826 VanDerWaalsContact O-N 3.09Å; N826-S828 VanDerWaalsContact C-N 3.31Å; N826-S828 PolarHBondContact O-N 3.46Å
827	I	36.2	Very low	47.3	Very low	156 Å²	156	120.7 Å²	120.7	80%	0.8	66%	0.655	S	S	*	*			trans	-68.1	102.9	153.9	-60.6	173.4	0	0	0	104.3	Q825 S829	Q825-I827 PolarHBondContact O-N 3.41Å; Q825-I827 VanDerWaalsContact O-N 3.12Å; I827-S829 PolarHBondContact O-N 3.35Å
828	S	30.9	Very low	44	Very low	93 Å²	93	124.7 Å²	124.7	65%	0.65	68%	0.677	S	S	*	*			trans	-49.6	114.9	160.9	52.4	0	0	0	0	106.4	N826 T830	N826-S828 VanDerWaalsContact C-N 3.31Å; N826-S828 PolarHBondContact O-N 3.46Å; S828-T830 VanDerWaalsContact C-N 3.29Å; S828-T830 PolarHBondContact O-N 2.9Å
829	S	30.4	Very low	40.5	Very low	104 Å²	104	131.9 Å²	131.9	73%	0.727	71%	0.713	S	S	*	*			trans	-50.5	99.1	167.6	51.2	0	0	0	0	107.6	I827 E831	I827-S829 PolarHBondContact O-N 3.35Å; S829-E831 PolarHBondContact O-N 3.2Å
830	T	27.7	Very low	37.2	Very low	125 Å²	125	135.7 Å²	135.7	77%	0.767	73%	0.734	S	S	*	*			trans	-63.5	92.3	154.7	38.4	0	0	0	0	104.4	S828	S828-T830 VanDerWaalsContact C-N 3.29Å; S828-T830 PolarHBondContact O-N 2.9Å
831	E	25.2	Very low	34.4	Very low	149 Å²	149	137.2 Å²	137.2	70%	0.696	75%	0.746	S	S	*	*			trans	-44.5	130.8	165.1	-90.9	-178.8	151.4	0	0	107.7	S829 Q833	S829-E831 PolarHBondContact O-N 3.2Å; E831-Q833 PolarHBondContact O-N 3.23Å
832	P	25.5	Very low	32	Very low	128 Å²	128	136.4 Å²	136.4	83%	0.831	76%	0.757	S	S	*	*			trans	-70.1	82	173.2	28.7	-31.6	0	0	0	107.6	T834	P832-T834 VanDerWaalsContact C-N 3.32Å; P832-T834 PolarHBondContact O-N 2.92Å
833	Q	28.9	Very low	30.1	Very low	159 Å²	159	138.8 Å²	138.8	74%	0.743	77%	0.774	S	S	*	*			trans	-62.7	101.8	168	-74.3	-168.1	-2.3	0	0	107.1	E831 I835	E831-Q833 PolarHBondContact O-N 3.23Å; Q833-I835 WeakPolarHBondContact O-CG1 3.22Å; Q833-I835 PolarHBondContact O-N 2.91Å
834	T	24.5	Very low	28.6	Very low	120 Å²	120	138 Å²	138	74%	0.736	77%	0.772	S	S	*	*			trans	-15.1	86.3	163.1	-48.7	0	0	0	0	113.7	P832 S836	P832-T834 VanDerWaalsContact C-N 3.32Å; P832-T834 PolarHBondContact O-N 2.92Å; T834-S836 WeakPolarHBondContact CG2-OG 3.49Å; T834-S836 PolarHBondContact O-N 3.23Å
835	I	25.4	Very low	27.5	Very low	172 Å²	172	136.4 Å²	136.4	88%	0.882	77%	0.769	S	S	*	*			trans	-81.9	79.2	168.8	-55.4	-176.5	0	0	0	107.2	Q833	Q833-I835 WeakPolarHBondContact O-CG1 3.22Å; Q833-I835 PolarHBondContact O-N 2.91Å
836	S	22.6	Very low	26.7	Very low	83 Å²	83	136.7 Å²	136.7	58%	0.58	78%	0.776	S	S	*	*			trans	-136.9	67.7	164.5	57	0	0	0	0	109.6	T834	T834-S836 WeakPolarHBondContact CG2-OG 3.49Å; T834-S836 PolarHBondContact O-N 3.23Å
837	K	25.5	Very low	26.3	Very low	197 Å²	197	137.4 Å²	137.4	86%	0.857	78%	0.778	S	S	*	*			trans	173.5	105.9	153.1	-98.2	155.8	-173.4	-179.2	0	109.2
838	I	26	Very low	25.7	Very low	164 Å²	164	136.1 Å²	136.1	84%	0.841	78%	0.777	S	S	*	*				173.4	105.9	124.2	-83.2	153.6	0	0	0	105.9
839	M	20	Very low	25.6	Very low	164 Å²	164	137.6 Å²	137.6	81%	0.808	78%	0.782	S	S	*	*			trans	-61	148.5	159.3	-79.3	178.5	167.5	0	0	109.9
840	N	22.9	Very low	25.3	Very low	139 Å²	139	139.1 Å²	139.1	74%	0.743	78%	0.782	S	S	*	*			trans	66.7	100.6	152.4	-60.5	-20.8	0	0	0	117.7
841	L	28.2	Very low	25.3	Very low	183 Å²	183	138.9 Å²	138.9	96%	0.958	78%	0.782	S	S	*	*			trans	-148.9	139	132.6	-121.6	111.5	0	0	0	111.3
842	A	24.9	Very low	25.4	Very low	86 Å²	86	138 Å²	138	71%	0.711	79%	0.787	S	S	*	*			trans	-65	156.6	-170.9	0	0	0	0	0	116
843	C	22.5	Very low	25.3	Very low	120 Å²	120	136.7 Å²	136.7	81%	0.811	78%	0.78	S	S	*	*			trans	27.5	120.2	139.3	-62.8	0	0	0	0	119.1
844	S	26.1	Very low	25.2	Very low	117 Å²	117	135 Å²	135	82%	0.818	79%	0.785	S	S	*	*				178.6	133.1	107.6	-85.3	0	0	0	0	111.2
845	P	25.4	Very low	25.2	Very low	111 Å²	111	136.7 Å²	136.7	72%	0.721	79%	0.789	S	S	*	*			trans	-88.5	137	169.2	34.6	-27.8	0	0	0	109.8
846	D	26	Very low	25.3	Very low	154 Å²	154	133.6 Å²	133.6	82%	0.824	78%	0.783	S	S	*	*			trans	162.5	92.2	154.5	-86.1	-23.8	0	0	0	109.9
847	I	28	Very low	25.5	Very low	162 Å²	162	135.5 Å²	135.5	83%	0.831	79%	0.793	S	S	*	*			trans	-139.9	99.2	155.3	-56.8	-177.4	0	0	0	108.8	V849	I847-V849 HydrophobicContact CG2-CG2 3.82Å
848	V	23.7	Very low	25.7	Very low	128 Å²	128	132.8 Å²	132.8	78%	0.776	79%	0.793	S	S	*	*			trans	-80.4	119.4	165.7	175.6	0	0	0	0	107.7
849	V	27.6	Very low	25.6	Very low	125 Å²	125	130.7 Å²	130.7	76%	0.758	79%	0.788	S	S	*	*			trans	-107.5	115.5	173	-176	0	0	0	0	109.1	I847	I847-V849 HydrophobicContact CG2-CG2 3.82Å
850	N	23.9	Very low	26.1	Very low	136 Å²	136	130.4 Å²	130.4	73%	0.727	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-71.6	146.2	177.8	-91.6	-42.5	0	0	0	112.6
851	P	28	Very low	26.2	Very low	119 Å²	119	129.3 Å²	129.3	77%	0.773	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-83.7	134	-179.9	33.2	-33.5	0	0	0	112.3
852	V	27.6	Very low	26.2	Very low	131 Å²	131	126.3 Å²	126.3	79%	0.794	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-92.4	120.6	177.1	176.2	0	0	0	0	110
853	S	23.2	Very low	26.2	Very low	100 Å²	100	131.2 Å²	131.2	70%	0.699	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-77.8	127	172.9	57.4	0	0	0	0	111.7
854	C	26.5	Very low	26.5	Very low	123 Å²	123	133 Å²	133	83%	0.831	79%	0.793	S	S	*	*			trans	-113.6	105	167.5	-64.5	0	0	0	0	109.3
855	N	24.5	Very low	26.5	Very low	156 Å²	156	133.5 Å²	133.5	83%	0.834	79%	0.79	S	S	*	*			trans	-86.2	124.7	169.4	-82.6	-29	0	0	0	109.7
856	S	27.6	Very low	26.5	Very low	108 Å²	108	136.4 Å²	136.4	76%	0.755	79%	0.794	S	S	*	*			trans	-168.5	120	144.7	50.3	0	0	0	0	111
857	P	27.8	Very low	26.6	Very low	122 Å²	122	136.6 Å²	136.6	79%	0.792	80%	0.795	S	S	*	*			trans	-88.9	136.6	178.4	33.6	-29.3	0	0	0	111
858	V	28.9	Very low	26.5	Very low	141 Å²	141	134.8 Å²	134.8	86%	0.855	79%	0.792	S	S	*	*			trans	-126.3	110.3	164.2	-179.6	0	0	0	0	108.1
859	T	25.1	Very low	26.8	Very low	120 Å²	120	134.6 Å²	134.6	74%	0.736	79%	0.791	S	S	*	*			trans	-74.4	127.1	165.7	45.7	0	0	0	0	109.5
860	D	29.9	Very low	26.9	Very low	157 Å²	157	135 Å²	135	84%	0.84	79%	0.794	S	S	*	*			trans	-168.8	128.5	130.1	-105.2	-22.7	0	0	0	111.2
861	S	23.9	Very low	27.1	Very low	116 Å²	116	137.9 Å²	137.9	81%	0.811	80%	0.803	S	S	*	*			trans	-105.8	138.5	179.1	-45.7	0	0	0	0	109.2
862	P	29.9	Very low	27.2	Very low	120 Å²	120	137.2 Å²	137.2	78%	0.779	80%	0.801	S	S	*	*			trans	-125.8	125.6	144.4	28.6	-13.7	0	0	0	110.6
863	Q	23.5	Very low	27.3	Very low	190 Å²	190	136.4 Å²	136.4	89%	0.888	80%	0.801	S	S	*	*			trans	-64	129.5	172.5	-64.4	-170.1	-22.7	0	0	111.3
864	I	28.6	Very low	27.5	Very low	158 Å²	158	138.7 Å²	138.7	81%	0.81	80%	0.804	S	S	*	*			trans	-137.4	103.5	155.2	-61.5	-176.1	0	0	0	109.7
865	V	26.3	Very low	27.6	Very low	126 Å²	126	137.9 Å²	137.9	76%	0.764	80%	0.797	S	S	*	*			trans	48.6	108.4	138.6	-168.3	0	0	0	0	119.1	N867	V865-N867 PolarHBondContact O-N 3.46Å
866	H	25.1	Very low	27.7	Very low	172 Å²	172	136.6 Å²	136.6	80%	0.796	80%	0.795	S	S	*	*			trans	-46.4	125.2	157.9	-75.8	-89	0	0	0	113.2
867	N	28.9	Very low	27.7	Very low	158 Å²	158	138 Å²	138	85%	0.845	79%	0.792	S	S	*	*			trans	-122.9	104.5	148.8	-105.4	-9.2	0	0	0	108.5	V865	V865-N867 PolarHBondContact O-N 3.46Å
868	T	25.2	Very low	27.6	Very low	124 Å²	124	140.5 Å²	140.5	76%	0.761	79%	0.794	S	S	*	*			trans	-71.7	113.6	170.5	34.8	0	0	0	0	110.3
869	T	30.3	Very low	27.6	Very low	125 Å²	125	144.6 Å²	144.6	77%	0.767	80%	0.795	S	S	*	*			trans	-137.2	97.9	158.1	38.7	0	0	0	0	109.6
870	T	29.8	Very low	27.7	Very low	132 Å²	132	144 Å²	144	81%	0.81	80%	0.796	S	S	*	*			trans	38.4	102.3	142.6	52.3	0	0	0	0	118.1	S872	T870-S872 PolarHBondContact O-N 3.47Å
871	E	28.4	Very low	27.7	Very low	198 Å²	198	141.5 Å²	141.5	93%	0.925	80%	0.797	S	S	*	*			trans	-50.8	114.2	157.1	-65.8	170.1	156	0	0	110.8
872	S	30.1	Very low	28	Very low	105 Å²	105	141 Å²	141	73%	0.734	79%	0.794	S	S	*	*			trans	-101.8	96.8	155.9	64.2	0	0	0	0	107.5	T870 I874	T870-S872 PolarHBondContact O-N 3.47Å; S872-I874 PolarHBondContact O-N 3.13Å
873	S	29.2	Very low	28.5	Very low	114 Å²	114	145 Å²	145	80%	0.797	82%	0.82	S	S	*	*			trans	-56.2	110.4	171	47.3	0	0	0	0	110.5
874	I	28.5	Very low	28.7	Very low	148 Å²	148	142.8 Å²	142.8	76%	0.759	82%	0.816	S	S	*	*			trans	-81.6	122	167	-62	174.2	0	0	0	106.9	S872 V876	S872-I874 PolarHBondContact O-N 3.13Å; I874-V876 PolarHBondContact O-N 3.4Å
875	P	28.5	Very low	28.7	Very low	106 Å²	106	142 Å²	142	69%	0.688	82%	0.817	S	S	*	*			trans	-73.5	120	-178.9	28.2	-30.4	0	0	0	110.1	I877	P875-I877 PolarHBondContact O-N 2.72Å
876	V	26.8	Very low	28.8	Very low	129 Å²	129	142.9 Å²	142.9	78%	0.782	82%	0.82	S	S	*	*			trans	-74.3	112.9	166.9	178	0	0	0	0	107	I874 E878	I874-V876 PolarHBondContact O-N 3.4Å; V876-E878 PolarHBondContact O-N 3.38Å
877	I	27	Very low	29.1	Very low	137 Å²	137	141.2 Å²	141.2	70%	0.703	82%	0.821	S	S	*	*			trans	-85.4	101.3	173.1	-62.1	174.9	0	0	0	106.7	P875 Y879	P875-I877 PolarHBondContact O-N 2.72Å; I877-Y879 PolarHBondContact O-N 3.37Å
878	E	26.8	Very low	29.1	Very low	175 Å²	175	140.1 Å²	140.1	82%	0.818	82%	0.82	S	S	*	*			trans	-69.6	122.8	169.1	-79.2	-179.9	156.2	0	0	109.7	V876 S880	V876-E878 PolarHBondContact O-N 3.38Å; E878-S880 PolarHBondContact O-N 3.44Å
879	Y	27.5	Very low	29.3	Very low	227 Å²	227	141.2 Å²	141.2	89%	0.89	82%	0.824	S	S	*	*			trans	-76.5	99.5	167.7	-81.8	-92.1	0	0	0	108.7	I877 A881	I877-Y879 PolarHBondContact O-N 3.37Å; Y879-A881 PolarHBondContact O-N 3.5Å
880	S	28.5	Very low	29.3	Very low	108 Å²	108	142.4 Å²	142.4	76%	0.755	83%	0.828	S	S	*	*			trans	-74.4	117.2	165.4	57.8	0	0	0	0	109.3	E878 S882	E878-S880 PolarHBondContact O-N 3.44Å; S880-S882 PolarHBondContact O-N 3.26Å; S880-S882 VanDerWaalsContact O-N 3.13Å
881	A	30	Very low	29.2	Very low	104 Å²	104	143.2 Å²	143.2	86%	0.86	83%	0.829	S	S	*	*			trans	-62.1	108.7	166.1	0	0	0	0	0	108.9	Y879	Y879-A881 PolarHBondContact O-N 3.5Å
882	S	29.9	Very low	29.3	Very low	106 Å²	106	138.6 Å²	138.6	74%	0.741	82%	0.821	S	S	*	*			trans	-77.4	142.4	166.3	46.8	0	0	0	0	109.3	S880	S880-S882 PolarHBondContact O-N 3.26Å; S880-S882 VanDerWaalsContact O-N 3.13Å
883	P	38.8	Very low	29.2	Very low	204 Å²	204	141.6 Å²	141.6	100%	1.325	83%	0.829	S	S	*	*			trans	-65.8	0	-167.9	29.4	-36.3	0	0	0	114.1

Retrieved 883 of 883 residues in 1056.6 ms (Link to these results)

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